smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl ZINC000000805014 132233094 /nfs/dbraw/zinc/23/30/94/132233094.db2.gz KTUIYYHSIUIIKY-UHFFFAOYSA-N 0 0 423.922 2.683 50 0 HFAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000000998806 132234815 /nfs/dbraw/zinc/23/48/15/132234815.db2.gz DMWCZRABNKNUEP-UHFFFAOYSA-N 0 0 403.504 2.555 50 0 HFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(N2CCOCC2)cc1 ZINC000001070118 132236273 /nfs/dbraw/zinc/23/62/73/132236273.db2.gz AMRHUPQNOXDUBX-UHFFFAOYSA-N 0 0 401.850 2.541 50 0 HFAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009726708 132242972 /nfs/dbraw/zinc/24/29/72/132242972.db2.gz NWUOXTHPLLARAT-NSHDSACASA-N 0 0 424.438 2.931 50 0 HFAARN O=C(NCc1ccccn1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000010188494 132244512 /nfs/dbraw/zinc/24/45/12/132244512.db2.gz UADAWFDTYWFFLL-UHFFFAOYSA-N 0 0 420.494 2.991 50 0 HFAARN O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000009824076 132245189 /nfs/dbraw/zinc/24/51/89/132245189.db2.gz NAJUNNSBERSPKU-UHFFFAOYSA-N 0 0 419.876 2.826 50 0 HFAARN CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000002421448 132254460 /nfs/dbraw/zinc/25/44/60/132254460.db2.gz FWUKPWDYQHFZGW-UHFFFAOYSA-N 0 0 405.499 2.868 50 0 HFAARN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002881271 132258816 /nfs/dbraw/zinc/25/88/16/132258816.db2.gz BPSSLEBWIPXFPP-INIZCTEOSA-N 0 0 421.950 2.843 50 0 HFAARN Cc1ccc(CCN2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1 ZINC000003008249 132261453 /nfs/dbraw/zinc/26/14/53/132261453.db2.gz XICZGVFUEFSZKH-HXUWFJFHSA-N 0 0 409.505 2.874 50 0 HFAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CC(=O)Nc2ccccc21 ZINC000003359916 132265362 /nfs/dbraw/zinc/26/53/62/132265362.db2.gz CDISOECOIQCVHP-UHFFFAOYSA-N 0 0 410.411 2.543 50 0 HFAARN Cc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nc2n1 ZINC000003371253 132265558 /nfs/dbraw/zinc/26/55/58/132265558.db2.gz IYSFCDBFTWNNHB-UHFFFAOYSA-N 0 0 420.395 2.849 50 0 HFAARN Cc1c(C(=O)Nc2ccccc2N2CCOCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000004057948 132270605 /nfs/dbraw/zinc/27/06/05/132270605.db2.gz HVBRCFLNHMZGNA-UHFFFAOYSA-N 0 0 410.499 2.802 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1C ZINC000004571105 132278932 /nfs/dbraw/zinc/27/89/32/132278932.db2.gz NMPLEWHGMPPTQZ-UHFFFAOYSA-N 0 0 415.563 2.595 50 0 HFAARN O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1 ZINC000004711164 132284775 /nfs/dbraw/zinc/28/47/75/132284775.db2.gz BBAUOZPRVBAHSX-UHFFFAOYSA-N 0 0 405.857 2.783 50 0 HFAARN Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5ccc(F)cc5)CC4)c3c2c1 ZINC000004901630 132292360 /nfs/dbraw/zinc/29/23/60/132292360.db2.gz BPBOZWFHFDLMHF-UHFFFAOYSA-N 0 0 420.444 2.939 50 0 HFAARN CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005051046 132299395 /nfs/dbraw/zinc/29/93/95/132299395.db2.gz YHBCCRFRSWDCQN-UHFFFAOYSA-N 0 0 421.950 2.699 50 0 HFAARN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000005177561 132303650 /nfs/dbraw/zinc/30/36/50/132303650.db2.gz IUTXEFBZTSVZNJ-UHFFFAOYSA-N 0 0 401.536 2.804 50 0 HFAARN CCc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)s1 ZINC000005200118 132303906 /nfs/dbraw/zinc/30/39/06/132303906.db2.gz RVCJVTCTCZASQD-UHFFFAOYSA-N 0 0 405.505 2.834 50 0 HFAARN Cc1nc(Cc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cs1 ZINC000005832647 132308202 /nfs/dbraw/zinc/30/82/02/132308202.db2.gz QBEWFWFTJRPFDL-UHFFFAOYSA-N 0 0 401.473 2.503 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000006318302 132310291 /nfs/dbraw/zinc/31/02/91/132310291.db2.gz ARNFZQJQYPVZIE-UHFFFAOYSA-N 0 0 417.531 2.806 50 0 HFAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)cc1 ZINC000006307322 132310307 /nfs/dbraw/zinc/31/03/07/132310307.db2.gz PASJIJNXNJAYOP-NRFANRHFSA-N 0 0 411.502 2.925 50 0 HFAARN O=C(CNC(=O)c1ccc(-n2cnnc2)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000006701884 132313111 /nfs/dbraw/zinc/31/31/11/132313111.db2.gz FRPNJZXCUACCAO-UHFFFAOYSA-N 0 0 404.474 2.626 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2C[C@@H]1C ZINC000006729911 132313901 /nfs/dbraw/zinc/31/39/01/132313901.db2.gz VHBFEMWFDBMXFE-HNNXBMFYSA-N 0 0 417.506 2.634 50 0 HFAARN COc1ccc(CCNC(=O)CCCN2C(=O)CSc3ncccc32)cc1OC ZINC000006802637 132317519 /nfs/dbraw/zinc/31/75/19/132317519.db2.gz IKRNYCYLQDMGPW-UHFFFAOYSA-N 0 0 415.515 2.677 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3ncc4c3-c3ccccc3OC4)CC2)cc1 ZINC000006802884 132317636 /nfs/dbraw/zinc/31/76/36/132317636.db2.gz OTJBVBSVBABOQA-UHFFFAOYSA-N 0 0 416.481 2.994 50 0 HFAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C ZINC000006818951 132317854 /nfs/dbraw/zinc/31/78/54/132317854.db2.gz MPQPTNKQKXJJDD-CQSZACIVSA-N 0 0 405.495 2.930 50 0 HFAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006831032 132318180 /nfs/dbraw/zinc/31/81/80/132318180.db2.gz FTWKBMNTUSSLNE-QGZVFWFLSA-N 0 0 403.504 2.606 50 0 HFAARN CCOc1ccc(CCNC(=O)[C@H]2CCCN(c3ncnc4onc(C)c43)C2)cc1 ZINC000007004777 132322083 /nfs/dbraw/zinc/32/20/83/132322083.db2.gz SUCILZHRQCSKBK-KRWDZBQOSA-N 0 0 409.490 2.900 50 0 HFAARN Cc1cccc(N2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)c1C ZINC000007219842 132322841 /nfs/dbraw/zinc/32/28/41/132322841.db2.gz MVVHIPKFRMZJOH-UHFFFAOYSA-N 0 0 412.534 2.597 50 0 HFAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000007389903 132324448 /nfs/dbraw/zinc/32/44/48/132324448.db2.gz FJXWWZCLVZYFTN-UHFFFAOYSA-N 0 0 414.458 2.969 50 0 HFAARN COc1ccc2c(c1)CC[C@@H](C)N2S(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000007991441 132326914 /nfs/dbraw/zinc/32/69/14/132326914.db2.gz GZUBFRUKQBOUMJ-PBHICJAKSA-N 0 0 400.500 2.829 50 0 HFAARN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008131017 132327659 /nfs/dbraw/zinc/32/76/59/132327659.db2.gz OOLFLMXHKNXRAN-CQSZACIVSA-N 0 0 402.524 2.744 50 0 HFAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2ncccn2)CC1 ZINC000008134613 132327751 /nfs/dbraw/zinc/32/77/51/132327751.db2.gz BLXBCQVANJHXNX-ONEGZZNKSA-N 0 0 400.866 2.653 50 0 HFAARN O=C([C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1)N1CCCCC1 ZINC000008270459 132329212 /nfs/dbraw/zinc/32/92/12/132329212.db2.gz KPTRKWFUUPMCKT-SFTDATJTSA-N 0 0 408.454 2.633 50 0 HFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCN1C(=O)COc2ccccc21 ZINC000008349907 132329784 /nfs/dbraw/zinc/32/97/84/132329784.db2.gz ZZSYHKOGFZKMRM-INIZCTEOSA-N 0 0 405.458 2.602 50 0 HFAARN O=C(c1cccc(-n2cccc2)c1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000008720854 132332530 /nfs/dbraw/zinc/33/25/30/132332530.db2.gz UKIJFMRJQWPFBG-JOCHJYFZSA-N 0 0 417.465 2.744 50 0 HFAARN NC(=O)[C@H]1CN(CC(=O)N[C@@H](c2cccs2)c2ccccc2)c2ccccc2O1 ZINC000008721087 132332544 /nfs/dbraw/zinc/33/25/44/132332544.db2.gz VSBNUJYFHWVVBK-WIYYLYMNSA-N 0 0 407.495 2.707 50 0 HFAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000008742686 132333003 /nfs/dbraw/zinc/33/30/03/132333003.db2.gz JZAVFZOUVVZHSV-UHFFFAOYSA-N 0 0 420.513 2.599 50 0 HFAARN COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3cccc(C)c3)n2)CC1 ZINC000009009916 132334898 /nfs/dbraw/zinc/33/48/98/132334898.db2.gz FVZFBHZVIJFBLF-UHFFFAOYSA-N 0 0 405.506 2.837 50 0 HFAARN CS(=O)(=O)N(CCCC(=O)N1CC(=O)Nc2ccccc21)c1cccc(Cl)c1 ZINC000009226334 132337295 /nfs/dbraw/zinc/33/72/95/132337295.db2.gz ZNVCUJQJELXDMA-UHFFFAOYSA-N 0 0 421.906 2.872 50 0 HFAARN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=N[C@H]2c1ccccc1 ZINC000009264589 132337982 /nfs/dbraw/zinc/33/79/82/132337982.db2.gz FZDGHMNUJMUHRI-OAQYLSRUSA-N 0 0 400.486 2.702 50 0 HFAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H]2CCCCN32)c(OC)c1 ZINC000009528838 132340734 /nfs/dbraw/zinc/34/07/34/132340734.db2.gz QSODUUZYRUBBBA-IBGZPJMESA-N 0 0 409.486 2.969 50 0 HFAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CC(=O)Nc2ccccc21 ZINC000009780141 132343515 /nfs/dbraw/zinc/34/35/15/132343515.db2.gz UKSCGLQSBSGRMF-INIZCTEOSA-N 0 0 424.438 2.660 50 0 HFAARN Cc1noc(C)c1COc1ccc(CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000009950111 132344455 /nfs/dbraw/zinc/34/44/55/132344455.db2.gz YWFVFXIFCHWZLL-NRFANRHFSA-N 0 0 421.453 2.692 50 0 HFAARN COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1Br ZINC000009982588 132344501 /nfs/dbraw/zinc/34/45/01/132344501.db2.gz IAEJYVOXANZRKU-UHFFFAOYSA-N 0 0 419.231 2.600 50 0 HFAARN O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCN(c2ccc(F)cc2)CC1 ZINC000010327472 132345906 /nfs/dbraw/zinc/34/59/06/132345906.db2.gz ZBILBKZNOOMXBK-UHFFFAOYSA-N 0 0 412.490 2.736 50 0 HFAARN CCCOc1cc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)nc(C)n1 ZINC000011613230 132348658 /nfs/dbraw/zinc/34/86/58/132348658.db2.gz HPYZUVJYTUXJAJ-UHFFFAOYSA-N 0 0 415.494 2.945 50 0 HFAARN COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1OC ZINC000012002289 132352927 /nfs/dbraw/zinc/35/29/27/132352927.db2.gz WIGBQCSKSQIMNQ-UHFFFAOYSA-N 0 0 418.515 2.742 50 0 HFAARN O=C(NCCn1ccnc1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012301747 132358190 /nfs/dbraw/zinc/35/81/90/132358190.db2.gz JRNAPHFJFOKYPK-LJQANCHMSA-N 0 0 416.529 2.862 50 0 HFAARN Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 ZINC000012443479 132360344 /nfs/dbraw/zinc/36/03/44/132360344.db2.gz BFLNEGNZKQIUED-LICLKQGHSA-N 0 0 421.526 2.970 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1 ZINC000012443483 132360346 /nfs/dbraw/zinc/36/03/46/132360346.db2.gz GZZQMPVGKPCVSK-UHFFFAOYSA-N 0 0 423.542 2.975 50 0 HFAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3O)CC2)cc1 ZINC000012555008 132363494 /nfs/dbraw/zinc/36/34/94/132363494.db2.gz KVWHWFMTIGJPQV-UHFFFAOYSA-N 0 0 409.515 2.971 50 0 HFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2c3ccccc3O[C@H](C)C2=O)c(C)c1 ZINC000012878883 132368124 /nfs/dbraw/zinc/36/81/24/132368124.db2.gz IWKFZNSIZLDUMF-QGZVFWFLSA-N 0 0 409.486 2.823 50 0 HFAARN O=C(CNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(Br)cc1F ZINC000013592578 132457990 /nfs/dbraw/zinc/45/79/90/132457990.db2.gz LJSZKJDBWWYSLB-UHFFFAOYSA-N 0 0 421.226 2.695 50 0 HFAARN COCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000015727924 132462329 /nfs/dbraw/zinc/46/23/29/132462329.db2.gz AOBMLIVVDNEITP-UHFFFAOYSA-N 0 0 423.469 2.989 50 0 HFAARN COc1cccc(NC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000035558832 132802551 /nfs/dbraw/zinc/80/25/51/132802551.db2.gz WWUKXXGHRCQWHT-UHFFFAOYSA-N 0 0 423.469 2.685 50 0 HFAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccno4)oc3C)CC2)cc1 ZINC000032971324 518351722 /nfs/dbraw/zinc/35/17/22/518351722.db2.gz KWSYFVXNZFXNDX-UHFFFAOYSA-N 0 0 415.471 2.957 50 0 HFAARN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000041879424 518806010 /nfs/dbraw/zinc/80/60/10/518806010.db2.gz BITUKFJYUNBEHX-CQSZACIVSA-N 0 0 412.490 2.928 50 0 HFAARN CC(C)(C)c1csc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)n1 ZINC000032899666 519085099 /nfs/dbraw/zinc/08/50/99/519085099.db2.gz LJKOZGOEKNRUSX-IBGZPJMESA-N 0 0 404.467 2.985 50 0 HFAARN CC(C)(O)COc1ccc(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)cc1 ZINC000072308033 519364139 /nfs/dbraw/zinc/36/41/39/519364139.db2.gz JBZYPRCEVLCOHV-UHFFFAOYSA-N 0 0 407.426 2.931 50 0 HFAARN CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032104782 519590484 /nfs/dbraw/zinc/59/04/84/519590484.db2.gz VFLWWCBOIWXHGP-OAQYLSRUSA-N 0 0 420.469 2.710 50 0 HFAARN CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2C1=O ZINC000024097078 519653300 /nfs/dbraw/zinc/65/33/00/519653300.db2.gz CRINUOLUAGAMHG-UHFFFAOYSA-N 0 0 422.485 2.813 50 0 HFAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1 ZINC000032943766 519726786 /nfs/dbraw/zinc/72/67/86/519726786.db2.gz SAAPATZODJRANX-UHFFFAOYSA-N 0 0 405.501 2.904 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 ZINC000040312492 519743463 /nfs/dbraw/zinc/74/34/63/519743463.db2.gz CKLQELUILYWBNT-HSZRJFAPSA-N 0 0 420.469 2.971 50 0 biogenic HFAARN CC(C)OCc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000032788178 519775175 /nfs/dbraw/zinc/77/51/75/519775175.db2.gz GXSSNBKHRVXKLV-JOCHJYFZSA-N 0 0 424.497 2.878 50 0 HFAARN CC(C)OCc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000032788173 519775243 /nfs/dbraw/zinc/77/52/43/519775243.db2.gz GXSSNBKHRVXKLV-QFIPXVFZSA-N 0 0 424.497 2.878 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000032889550 519821276 /nfs/dbraw/zinc/82/12/76/519821276.db2.gz MCQRWAODOOBJQL-IBGZPJMESA-N 0 0 402.520 2.623 50 0 HFAARN CCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 ZINC000032968051 520323842 /nfs/dbraw/zinc/32/38/42/520323842.db2.gz FQGPTDUORGWJDY-CPNJWEJPSA-N 0 0 423.469 2.578 50 0 HFAARN CCCSc1nn(CCN2CCOCC2)c2nc3sc(C)c(CC)c3c(=O)n12 ZINC000040286495 520569778 /nfs/dbraw/zinc/56/97/78/520569778.db2.gz STWMPPOQAWMIBW-UHFFFAOYSA-N 0 0 421.592 2.811 50 0 HFAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)NCCC(C)C)n2)cc1 ZINC000021911395 520821686 /nfs/dbraw/zinc/82/16/86/520821686.db2.gz LANJCOXYRVMQMY-UHFFFAOYSA-N 0 0 415.519 2.738 50 0 HFAARN CCN(CC)c1nc2ncn(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)c2s1 ZINC000045970342 520931212 /nfs/dbraw/zinc/93/12/12/520931212.db2.gz FKOCXEKQWOLXFD-UHFFFAOYSA-N 0 0 421.910 3.000 50 0 HFAARN CCOc1ccc(CC(=O)OCC(=O)NCc2cccc(OC)c2)cc1OCC ZINC000072330941 520941289 /nfs/dbraw/zinc/94/12/89/520941289.db2.gz QSSXWUPPOBFMSQ-UHFFFAOYSA-N 0 0 401.459 2.895 50 0 HFAARN CCOC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2cccnc2)C1=O ZINC000020547467 520990437 /nfs/dbraw/zinc/99/04/37/520990437.db2.gz DGKVMEHSSJXAQG-SFHVURJKSA-N 0 0 406.364 2.875 50 0 HFAARN CCOC(=O)[C@@H]1CSCCN1C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000032902936 521142659 /nfs/dbraw/zinc/14/26/59/521142659.db2.gz XHLCONUACMGXIE-AWEZNQCLSA-N 0 0 422.528 2.948 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000020574873 521384521 /nfs/dbraw/zinc/38/45/21/521384521.db2.gz MAQDTNFXUILXOS-UHFFFAOYSA-N 0 0 419.547 2.936 50 0 HFAARN CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000006969199 521455369 /nfs/dbraw/zinc/45/53/69/521455369.db2.gz SLPYDVGBIYINKK-UHFFFAOYSA-N 0 0 402.516 2.849 50 0 HFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000040287115 521540303 /nfs/dbraw/zinc/54/03/03/521540303.db2.gz VSTUDQJZGRZZCI-FQEVSTJZSA-N 0 0 413.503 2.773 50 0 HFAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2C1 ZINC000022765374 521668135 /nfs/dbraw/zinc/66/81/35/521668135.db2.gz IIXHZYARKGVIGL-UHFFFAOYSA-N 0 0 404.488 2.664 50 0 HFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CNC(=O)c2cc(C)cc(C)c2)c1C ZINC000032876741 521750645 /nfs/dbraw/zinc/75/06/45/521750645.db2.gz YJCJXSPTKYKUFJ-HNNXBMFYSA-N 0 0 414.458 2.579 50 0 HFAARN COC(=O)c1ccc(/C=C/C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000032901498 521933742 /nfs/dbraw/zinc/93/37/42/521933742.db2.gz RRRAWGFVFRHAGC-FMIVXFBMSA-N 0 0 421.497 2.706 50 0 HFAARN COC(=O)c1ccc(NC(=O)CSCc2nc3sc(C)cc3c(=O)[nH]2)cc1 ZINC000044903975 522095310 /nfs/dbraw/zinc/09/53/10/522095310.db2.gz YMDJQUOMYFNKSH-UHFFFAOYSA-N 0 0 403.485 2.952 50 0 HFAARN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)c1 ZINC000040309866 522141991 /nfs/dbraw/zinc/14/19/91/522141991.db2.gz SWZWWZGDLOQYNY-IBGZPJMESA-N 0 0 407.430 2.780 50 0 biogenic HFAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 ZINC000040288173 522174137 /nfs/dbraw/zinc/17/41/37/522174137.db2.gz MRSASGWBRUCNGN-OAHLLOKOSA-N 0 0 417.429 2.837 50 0 HFAARN CC[C@@H](C)Nc1nc(NC)nc(-n2cnc(SCCOc3ccccc3)n2)n1 ZINC000032598607 522237195 /nfs/dbraw/zinc/23/71/95/522237195.db2.gz QGNYFZVEKDSZNK-CYBMUJFWSA-N 0 0 400.512 2.876 50 0 HFAARN COc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc(OC)c1OC ZINC000032414364 522429320 /nfs/dbraw/zinc/42/93/20/522429320.db2.gz ZZBPSEFDDOGIJC-SFHVURJKSA-N 0 0 424.497 2.870 50 0 HFAARN COc1cc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccccc1 ZINC000032895673 522471908 /nfs/dbraw/zinc/47/19/08/522471908.db2.gz SMPRPPUISSKQHH-IAGOWNOFSA-N 0 0 420.531 2.718 50 0 HFAARN CN(CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)S(=O)(=O)c1cccnc1 ZINC000032921995 522495053 /nfs/dbraw/zinc/49/50/53/522495053.db2.gz BNVLOFPJCYSAKX-OAHLLOKOSA-N 0 0 411.936 2.709 50 0 HFAARN CNc1nc(-n2cnc(SCCOc3ccccc3)n2)nc(N2CCCCC2)n1 ZINC000025496280 522676462 /nfs/dbraw/zinc/67/64/62/522676462.db2.gz NNLOEJJPMVCKQF-UHFFFAOYSA-N 0 0 412.523 2.655 50 0 HFAARN CCc1nn2c(ncc3c2ccn(CCN2CCOCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040396872 522712205 /nfs/dbraw/zinc/71/22/05/522712205.db2.gz NNIHHERKSOXXJE-UHFFFAOYSA-N 0 0 421.476 2.745 50 0 HFAARN COc1cc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]c2cc1OC ZINC000020567574 523056695 /nfs/dbraw/zinc/05/66/95/523056695.db2.gz MQUPRWTUGGDUOE-UHFFFAOYSA-N 0 0 423.469 2.872 50 0 HFAARN COC(=O)CCNC(=O)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000041156826 523088526 /nfs/dbraw/zinc/08/85/26/523088526.db2.gz BKMAPWNKVZIFRG-UHFFFAOYSA-N 0 0 405.454 2.701 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)c(F)c1 ZINC000044921372 523127983 /nfs/dbraw/zinc/12/79/83/523127983.db2.gz PILDYLDNTIFGOQ-OAQYLSRUSA-N 0 0 423.444 2.658 50 0 HFAARN COC(=O)C[C@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccc(C)cc1 ZINC000032821104 523338634 /nfs/dbraw/zinc/33/86/34/523338634.db2.gz SVRKBOLLUDSKSM-IBGZPJMESA-N 0 0 405.454 2.884 50 0 HFAARN CCn1cc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc21 ZINC000040010003 523350017 /nfs/dbraw/zinc/35/00/17/523350017.db2.gz FXQHRAHFMRHOOT-UHFFFAOYSA-N 0 0 400.456 2.860 50 0 HFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc2ccccc2c(=O)[nH]1 ZINC000032654952 523361521 /nfs/dbraw/zinc/36/15/21/523361521.db2.gz HKUOCCKNUIRSNV-SFHVURJKSA-N 0 0 423.469 2.603 50 0 HFAARN COC(=O)NCCCC(=O)N[C@@H](C)c1ccc(Br)cc1OCCCO ZINC000390832720 523452639 /nfs/dbraw/zinc/45/26/39/523452639.db2.gz QANZLFQACDXTKL-LBPRGKRZSA-N 0 0 417.300 2.524 50 0 HFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000020274004 523595216 /nfs/dbraw/zinc/59/52/16/523595216.db2.gz FDXOYUWJZCFWQX-OXQOHEQNSA-N 0 0 410.426 2.728 50 0 biogenic HFAARN COc1ccc(C(=O)N2CN([C@H]3CCS(=O)(=O)C3)Cc3c(C)c(C)sc32)cc1 ZINC000019880838 523668154 /nfs/dbraw/zinc/66/81/54/523668154.db2.gz VQCUDYOWQLILGC-INIZCTEOSA-N 0 0 420.556 2.981 50 0 HFAARN CN(C(=O)C1(c2ccc(Br)cc2)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000042687980 523786496 /nfs/dbraw/zinc/78/64/96/523786496.db2.gz FPALTLANEUMQBE-HNNXBMFYSA-N 0 0 400.338 2.906 50 0 HFAARN CC[C@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000012210762 523822361 /nfs/dbraw/zinc/82/23/61/523822361.db2.gz GBFTYYBQUVQCRQ-KBXCAEBGSA-N 0 0 415.511 2.792 50 0 HFAARN COc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 ZINC000032831104 523898872 /nfs/dbraw/zinc/89/88/72/523898872.db2.gz LSFMFJNPUGAKJI-UHFFFAOYSA-N 0 0 412.486 2.676 50 0 HFAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000032678909 523923158 /nfs/dbraw/zinc/92/31/58/523923158.db2.gz DQTIDDHOWZZSED-DEOSSOPVSA-N 0 0 420.513 2.893 50 0 HFAARN CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2I)cc1 ZINC000045868948 524021785 /nfs/dbraw/zinc/02/17/85/524021785.db2.gz LAHYCAWFFSCIQJ-UHFFFAOYSA-N 0 0 408.239 2.923 50 0 HFAARN COc1ccc(CNS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000044285619 524074078 /nfs/dbraw/zinc/07/40/78/524074078.db2.gz NWYBXWDYRYCINY-UHFFFAOYSA-N 0 0 403.241 2.778 50 0 HFAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1 ZINC000045899357 524075841 /nfs/dbraw/zinc/07/58/41/524075841.db2.gz ZJOUQHXXPSNHSO-UHFFFAOYSA-N 0 0 413.477 2.798 50 0 HFAARN Cc1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2c(=O)[nH]n(C)c2n1 ZINC000032714805 524103384 /nfs/dbraw/zinc/10/33/84/524103384.db2.gz HSVZZLDQQKGGKX-UHFFFAOYSA-N 0 0 402.838 2.727 50 0 HFAARN COc1ccc(COC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1F ZINC000032738768 524110465 /nfs/dbraw/zinc/11/04/65/524110465.db2.gz WCNCIXZFYOTAMD-UHFFFAOYSA-N 0 0 410.419 2.513 50 0 HFAARN Cc1cccc(C)c1NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C ZINC000032946687 524282634 /nfs/dbraw/zinc/28/26/34/524282634.db2.gz ONHBASCAZXSOLM-UHFFFAOYSA-N 0 0 404.517 2.568 50 0 HFAARN Cc1cc(C)cc(-n2ncc3c2ncn(C[C@H](O)COc2ccc(F)cc2)c3=O)c1 ZINC000032760397 524358119 /nfs/dbraw/zinc/35/81/19/524358119.db2.gz ATDOLGPYAGEWOQ-SFHVURJKSA-N 0 0 408.433 2.778 50 0 HFAARN COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 ZINC000032096980 524442770 /nfs/dbraw/zinc/44/27/70/524442770.db2.gz RMUHMFSUIZQODF-LBPRGKRZSA-N 0 0 419.840 2.596 50 0 HFAARN COc1ccccc1CNC(=O)C[C@@H](C)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000032961380 524465927 /nfs/dbraw/zinc/46/59/27/524465927.db2.gz YUKCGRNQFFFZBU-AWEZNQCLSA-N 0 0 401.488 2.941 50 0 HFAARN C[C@H](CNC(=O)c1cccc(I)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000032828408 524467616 /nfs/dbraw/zinc/46/76/16/524467616.db2.gz WBEGXNRJRWRYKO-JHJVBQTASA-N 0 0 402.276 2.519 50 0 HFAARN Cc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1C ZINC000040478059 524609829 /nfs/dbraw/zinc/60/98/29/524609829.db2.gz UAIVOUCLZBCKAI-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN COc1ccccc1OCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019897911 524662046 /nfs/dbraw/zinc/66/20/46/524662046.db2.gz OHIFAATXUYIADO-GOSISDBHSA-N 0 0 404.894 2.917 50 0 HFAARN C[C@H](Cc1ccc(Br)cc1)NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000044574273 524688699 /nfs/dbraw/zinc/68/86/99/524688699.db2.gz BASRCDVMECIGMH-GFCCVEGCSA-N 0 0 416.275 2.612 50 0 HFAARN C[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)Cc1cccc2ccccc21 ZINC000072441421 524707391 /nfs/dbraw/zinc/70/73/91/524707391.db2.gz NSMQWOMEEYHHBY-XLIONFOSSA-N 0 0 417.575 2.653 50 0 HFAARN C[C@@H](CNC(=O)c1ccc(I)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000032828394 524716403 /nfs/dbraw/zinc/71/64/03/524716403.db2.gz LDRFUFTZDPEKSX-YNEHKIRRSA-N 0 0 402.276 2.519 50 0 HFAARN COc1ccc(OC)c2c1CN(Cc1nc3ccc(Cl)cc3c(=O)[nH]1)C[C@H]2O ZINC000032836286 524922914 /nfs/dbraw/zinc/92/29/14/524922914.db2.gz DMINLEGZMQDYMT-OAHLLOKOSA-N 0 0 401.850 2.643 50 0 HFAARN C[C@H]1Cc2cc(-c3csc(CCN4CCOC4=O)n3)ccc2N1S(C)(=O)=O ZINC000032927808 524973805 /nfs/dbraw/zinc/97/38/05/524973805.db2.gz VFSICWAHBGHVNV-LBPRGKRZSA-N 0 0 407.517 2.515 50 0 HFAARN COc1ccc(S(=O)(=O)N(Cc2ccco2)CC(F)(F)F)cc1NC(C)=O ZINC000032738620 525015225 /nfs/dbraw/zinc/01/52/25/525015225.db2.gz IXBNCLOEQAUYJF-UHFFFAOYSA-N 0 0 406.382 3.000 50 0 HFAARN Cc1cc(N2C[C@@H](C(=O)N(C)Cc3cnn(C)c3)CC2=O)ccc1Br ZINC000045143177 525096959 /nfs/dbraw/zinc/09/69/59/525096959.db2.gz XZAFTZASKOBVSK-AWEZNQCLSA-N 0 0 405.296 2.503 50 0 HFAARN C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1CC(N)=O)c1cccs1 ZINC000032895020 525127549 /nfs/dbraw/zinc/12/75/49/525127549.db2.gz LDSVSUUOJWTFRZ-SNVBAGLBSA-N 0 0 407.546 2.523 50 0 HFAARN Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1C ZINC000020531451 525217782 /nfs/dbraw/zinc/21/77/82/525217782.db2.gz MMLODCNGPNZGLM-IBGZPJMESA-N 0 0 400.500 2.701 50 0 HFAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 ZINC000032088084 525223909 /nfs/dbraw/zinc/22/39/09/525223909.db2.gz LGBNOEOSPQIBGF-ZDUSSCGKSA-N 0 0 400.529 2.781 50 0 HFAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000032963856 525246366 /nfs/dbraw/zinc/24/63/66/525246366.db2.gz NDRQNKCCLQSGRW-LBPRGKRZSA-N 0 0 411.380 2.892 50 0 HFAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000032891505 525635565 /nfs/dbraw/zinc/63/55/65/525635565.db2.gz ZDTXBIACZWRPNN-UHFFFAOYSA-N 0 0 401.484 2.839 50 0 HFAARN COc1ccc2cnn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c1OC ZINC000040286638 525654860 /nfs/dbraw/zinc/65/48/60/525654860.db2.gz LVWLIGFASNAUIB-UHFFFAOYSA-N 0 0 421.497 2.895 50 0 HFAARN Cc1cc2nc(C)c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c2cc1C ZINC000032974659 525670914 /nfs/dbraw/zinc/67/09/14/525670914.db2.gz AZSQFAXGTGGHMI-UHFFFAOYSA-N 0 0 408.477 2.810 50 0 HFAARN COc1cccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)c1 ZINC000040309441 525710781 /nfs/dbraw/zinc/71/07/81/525710781.db2.gz ITJLXOBNWPSSPC-UHFFFAOYSA-N 0 0 402.454 2.759 50 0 biogenic HFAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000023805251 525756210 /nfs/dbraw/zinc/75/62/10/525756210.db2.gz VFYUJGKUKSSNTR-JOCHJYFZSA-N 0 0 407.514 2.925 50 0 HFAARN C[C@H](OCCCNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccc1 ZINC000042128011 525900537 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/nfs/dbraw/zinc/30/58/84/558305884.db2.gz SPMKRJXCBGFIBP-QGZVFWFLSA-N 0 0 409.465 2.929 50 0 HFAARN O=C(Cn1cc(NC(=O)c2ccco2)cn1)N1CCC(Oc2ccccc2F)CC1 ZINC000012055755 558315945 /nfs/dbraw/zinc/31/59/45/558315945.db2.gz QMRGACDLIBUKHA-UHFFFAOYSA-N 0 0 412.421 2.938 50 0 HFAARN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2cccc(F)c2F)CC3)CC1 ZINC000012056969 558316408 /nfs/dbraw/zinc/31/64/08/558316408.db2.gz USSABCHFGKVQFB-QGZVFWFLSA-N 0 0 421.488 2.868 50 0 HFAARN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3ccc(CO)o3)CC2)c1 ZINC000012057474 558316428 /nfs/dbraw/zinc/31/64/28/558316428.db2.gz MQIXMZBMFNWMFK-UHFFFAOYSA-N 0 0 400.475 2.716 50 0 HFAARN CN(C)c1nc(Cl)c(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1 ZINC000012058600 558316790 /nfs/dbraw/zinc/31/67/90/558316790.db2.gz WHBYJPYRFNPTBS-AWEZNQCLSA-N 0 0 400.976 2.714 50 0 HFAARN O=C(Cn1c2ccccc2nc1[C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCOCC1 ZINC000012062204 558317379 /nfs/dbraw/zinc/31/73/79/558317379.db2.gz IMHKDXINMLZRGL-QGZVFWFLSA-N 0 0 410.518 2.544 50 0 HFAARN COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 ZINC000012073611 558318438 /nfs/dbraw/zinc/31/84/38/558318438.db2.gz YICZTRSJMPZLMH-KRWDZBQOSA-N 0 0 400.548 2.778 50 0 HFAARN CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000020029131 558323542 /nfs/dbraw/zinc/32/35/42/558323542.db2.gz FGVQFXYMVIQAAD-GOSISDBHSA-N 0 0 403.910 2.860 50 0 HFAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)C1 ZINC000012155411 558340009 /nfs/dbraw/zinc/34/00/09/558340009.db2.gz AWHRNDNNPACBJY-MWTRTKDXSA-N 0 0 416.493 2.696 50 0 HFAARN COc1ccc(C[C@@]2(CCC(=O)N[C@H](C)Cc3ccccn3)CCC(=O)N2)c(F)c1 ZINC000012156651 558340453 /nfs/dbraw/zinc/34/04/53/558340453.db2.gz NNZGOLDJTZDNDG-WAIKUNEKSA-N 0 0 413.493 2.948 50 0 HFAARN CN(C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O)[C@@H]1CCOC1 ZINC000012158796 558341219 /nfs/dbraw/zinc/34/12/19/558341219.db2.gz PBDJAXKGTOQPCA-HYBUGGRVSA-N 0 0 406.482 2.618 50 0 HFAARN CCN(Cc1ccncc1)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O ZINC000012162987 558341992 /nfs/dbraw/zinc/34/19/92/558341992.db2.gz NXKHQUNDFANFKX-XMMPIXPASA-N 0 0 421.497 2.688 50 0 HFAARN COCCN(C(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1)C(C)C ZINC000012181651 558343023 /nfs/dbraw/zinc/34/30/23/558343023.db2.gz DTKNGKYDCYTCLU-JOCHJYFZSA-N 0 0 406.523 2.559 50 0 HFAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 ZINC000012191372 558347583 /nfs/dbraw/zinc/34/75/83/558347583.db2.gz FOZISAAZGSHPQE-UGKGYDQZSA-N 0 0 406.482 2.987 50 0 HFAARN CC[C@H](NC(=O)c1ccccc1OC1CCN(C(=O)COC)CC1)c1ccncc1 ZINC000012194301 558348888 /nfs/dbraw/zinc/34/88/88/558348888.db2.gz MLZNGRYEQPYBIF-FQEVSTJZSA-N 0 0 411.502 2.979 50 0 HFAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCc4sccc4C3)cc2)CC1 ZINC000012200728 558351297 /nfs/dbraw/zinc/35/12/97/558351297.db2.gz CQHWTHRSBSNVRZ-UHFFFAOYSA-N 0 0 414.527 2.963 50 0 HFAARN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(C/C=C/c1ccco1)CC2 ZINC000012202518 558351749 /nfs/dbraw/zinc/35/17/49/558351749.db2.gz XWRBVUWNHDUZCN-GQCTYLIASA-N 0 0 413.518 2.797 50 0 HFAARN COCCNC(=O)c1sc2ncnc(NC[C@@H]3COc4ccccc4O3)c2c1C ZINC000012244497 558361125 /nfs/dbraw/zinc/36/11/25/558361125.db2.gz DBSZSPGYWQCUJN-CYBMUJFWSA-N 0 0 414.487 2.628 50 0 HFAARN Cc1c(C(=O)NCCCOc2cccnc2)cnn1-c1nccc(-c2cccnc2)n1 ZINC000012247276 558361923 /nfs/dbraw/zinc/36/19/23/558361923.db2.gz ALDODBNTOIAFRJ-UHFFFAOYSA-N 0 0 415.457 2.627 50 0 HFAARN O[C@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 ZINC000020421636 558362218 /nfs/dbraw/zinc/36/22/18/558362218.db2.gz IELBVTHKITZNKK-FQEVSTJZSA-N 0 0 424.419 2.949 50 0 HFAARN COc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-n3cnnn3)c2)cc1OC ZINC000012279961 558364879 /nfs/dbraw/zinc/36/48/79/558364879.db2.gz LDFLZZXRDHSMAP-UHFFFAOYSA-N 0 0 411.487 2.536 50 0 HFAARN Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c(C)o1 ZINC000020452636 558366818 /nfs/dbraw/zinc/36/68/18/558366818.db2.gz ZCQMYLZPIBWVSL-UHFFFAOYSA-N 0 0 415.444 2.754 50 0 HFAARN COCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000020454654 558368572 /nfs/dbraw/zinc/36/85/72/558368572.db2.gz DFYHMKSPXPNPIB-CALCHBBNSA-N 0 0 413.584 2.635 50 0 HFAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)C(C1CC1)C1CC1 ZINC000012302014 558371462 /nfs/dbraw/zinc/37/14/62/558371462.db2.gz YMSHPSQUCCBBFA-IBGZPJMESA-N 0 0 407.580 2.866 50 0 HFAARN CCc1ccc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)nc1 ZINC000012305522 558374695 /nfs/dbraw/zinc/37/46/95/558374695.db2.gz MZIYWGJQVHFJLO-UHFFFAOYSA-N 0 0 411.502 2.972 50 0 HFAARN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 ZINC000012317123 558380344 /nfs/dbraw/zinc/38/03/44/558380344.db2.gz GWVCRVBPQDLBSD-LJQANCHMSA-N 0 0 403.486 2.631 50 0 HFAARN S=C(NCCCN1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020503185 558381052 /nfs/dbraw/zinc/38/10/52/558381052.db2.gz ZEYLXIGZBREEGW-UHFFFAOYSA-N 0 0 417.406 2.712 50 0 HFAARN Cc1ccccc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020511910 558382257 /nfs/dbraw/zinc/38/22/57/558382257.db2.gz LJJWGOWNDOWARY-UHFFFAOYSA-N 0 0 421.950 2.618 50 0 HFAARN C[C@@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)CCC(=O)c2ccccc2)CC3)C[C@H](C)O1 ZINC000012326410 558383141 /nfs/dbraw/zinc/38/31/41/558383141.db2.gz AZFDXSFIMIMMEB-NSHGMRRFSA-N 0 0 412.530 2.914 50 0 HFAARN COCCCNc1nc2nnnn2c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000020519313 558383390 /nfs/dbraw/zinc/38/33/90/558383390.db2.gz OCAFLVJKBLNBPA-UHFFFAOYSA-N 0 0 409.519 2.741 50 0 HFAARN CCCn1nc(C)c(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)c1C ZINC000020614231 558392105 /nfs/dbraw/zinc/39/21/05/558392105.db2.gz SRILLXZCSYDWMC-UHFFFAOYSA-N 0 0 418.361 2.710 50 0 HFAARN CCN1CCN(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)CC1 ZINC000020622154 558394047 /nfs/dbraw/zinc/39/40/47/558394047.db2.gz ZCSUENHGHCJOMZ-UHFFFAOYSA-N 0 0 408.454 2.709 50 0 biogenic HFAARN CC[C@@H](COC)NC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000012385744 558394804 /nfs/dbraw/zinc/39/48/04/558394804.db2.gz JPUHWADROBUFHL-INIZCTEOSA-N 0 0 404.507 2.630 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000020667300 558398107 /nfs/dbraw/zinc/39/81/07/558398107.db2.gz KWMIGTITJYSGPM-UHFFFAOYSA-N 0 0 404.536 2.818 50 0 HFAARN COc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 ZINC000012410016 558400531 /nfs/dbraw/zinc/40/05/31/558400531.db2.gz LUWFOSXLKGXEDS-SFHVURJKSA-N 0 0 421.497 2.925 50 0 HFAARN CCOc1ccc(CCN2CC(=O)N3CCC[C@H](c4cc(O)ccc4O)[C@@H]3C2=O)cc1 ZINC000012411796 558400964 /nfs/dbraw/zinc/40/09/64/558400964.db2.gz ZEWBXNHCXVXNCD-AUSIDOKSSA-N 0 0 424.497 2.656 50 0 HFAARN O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc3nncn3n2)CC1 ZINC000020716446 558401369 /nfs/dbraw/zinc/40/13/69/558401369.db2.gz OUPKBZUYUHEGSO-UHFFFAOYSA-N 0 0 419.258 2.881 50 0 HFAARN CCOC(=O)C1=NO[C@@H](c2c(Br)c3c(c(OC)c2OC)OCO3)[C@@H]1C ZINC000012412856 558401489 /nfs/dbraw/zinc/40/14/89/558401489.db2.gz OBKUSRQHGJVYTL-RDDDGLTNSA-N 0 0 416.224 2.822 50 0 HFAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(OC)cc(=O)[nH]1)CCCC2 ZINC000012413870 558401657 /nfs/dbraw/zinc/40/16/57/558401657.db2.gz XKPZZUXSILNHDB-UHFFFAOYSA-N 0 0 423.516 2.626 50 0 HFAARN CCCCc1cc(=O)oc2cc(OCC(=O)Nc3snnc3C(=O)OC)ccc12 ZINC000020717179 558401806 /nfs/dbraw/zinc/40/18/06/558401806.db2.gz XAGRSFGYYHGZTF-UHFFFAOYSA-N 0 0 417.443 2.791 50 0 HFAARN CNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 ZINC000012416934 558402327 /nfs/dbraw/zinc/40/23/27/558402327.db2.gz HPDUZHMARMLQFF-UHFFFAOYSA-N 0 0 414.259 2.762 50 0 biogenic,in-vitro HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000020723897 558404157 /nfs/dbraw/zinc/40/41/57/558404157.db2.gz LJWIGFTUPIHQJP-LWLIDHTLSA-N 0 0 418.469 2.802 50 0 HFAARN CCN(Cc1cnn(C)c1)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012430222 558405024 /nfs/dbraw/zinc/40/50/24/558405024.db2.gz XPXWSSXSUIZEMF-UHFFFAOYSA-N 0 0 410.518 2.862 50 0 HFAARN O=C([C@@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCCN(Cc2ccccn2)CC1 ZINC000012431159 558405721 /nfs/dbraw/zinc/40/57/21/558405721.db2.gz DDJIEZFUBFIKFM-HXUWFJFHSA-N 0 0 424.520 2.694 50 0 HFAARN CC(C)CCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O ZINC000020730657 558406371 /nfs/dbraw/zinc/40/63/71/558406371.db2.gz FZXABAQPCMVGCT-UHFFFAOYSA-N 0 0 417.469 2.903 50 0 HFAARN COc1ccccc1CN1C[C@H](C(=O)NCc2nc(-c3ccccc3)no2)CCC1=O ZINC000012432573 558406732 /nfs/dbraw/zinc/40/67/32/558406732.db2.gz QJRXTYWXYLWHNY-GOSISDBHSA-N 0 0 420.469 2.800 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1 ZINC000020732263 558406829 /nfs/dbraw/zinc/40/68/29/558406829.db2.gz TWLJBJAHDVIYFH-PZJWPPBQSA-N 0 0 422.460 2.990 50 0 HFAARN CN(Cc1ccsc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000012432727 558407089 /nfs/dbraw/zinc/40/70/89/558407089.db2.gz HWKAAEPHPRISLD-GOSISDBHSA-N 0 0 409.577 2.939 50 0 HFAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)c(OC)c1 ZINC000020733324 558407129 /nfs/dbraw/zinc/40/71/29/558407129.db2.gz HQRYQLFVMZRBTF-MRXNPFEDSA-N 0 0 407.430 2.793 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O ZINC000020733826 558407265 /nfs/dbraw/zinc/40/72/65/558407265.db2.gz RTFPDXRASGKDKZ-UHFFFAOYSA-N 0 0 403.822 2.714 50 0 HFAARN Cn1c(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)nc2ccccc21 ZINC000012433509 558407616 /nfs/dbraw/zinc/40/76/16/558407616.db2.gz CZZJHNWOGABMQL-INIZCTEOSA-N 0 0 406.486 2.944 50 0 HFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@@H]2c2ccccc2OC)n1CCOC ZINC000012433883 558407802 /nfs/dbraw/zinc/40/78/02/558407802.db2.gz CVVDRWFFGRYJBD-GOSISDBHSA-N 0 0 407.536 2.669 50 0 HFAARN O=C([C@H]1CCC(=O)N(CCCc2ccccc2)C1)N1CCC(Cn2ccnc2)CC1 ZINC000012434325 558408186 /nfs/dbraw/zinc/40/81/86/558408186.db2.gz PUPFCJDPQRLUER-QFIPXVFZSA-N 0 0 408.546 2.993 50 0 HFAARN COc1ccc(CCc2nnc(CCC(=O)NCc3cn4ccsc4n3)o2)cc1 ZINC000012434328 558408374 /nfs/dbraw/zinc/40/83/74/558408374.db2.gz YILFJEBHKOXUTH-UHFFFAOYSA-N 0 0 411.487 2.822 50 0 HFAARN CNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000046182200 558413238 /nfs/dbraw/zinc/41/32/38/558413238.db2.gz RNDOONJNRGRCOB-MRXNPFEDSA-N 0 0 412.317 2.583 50 0 HFAARN O=C(Cn1nnnc1CN1CCCC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012454208 558416652 /nfs/dbraw/zinc/41/66/52/558416652.db2.gz NJPRXDKWCBOYIM-OAQYLSRUSA-N 0 0 410.909 2.828 50 0 HFAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)Cc1cnc2ncnn2c1 ZINC000012454886 558416941 /nfs/dbraw/zinc/41/69/41/558416941.db2.gz CICKYALEJHFGNT-SFHVURJKSA-N 0 0 415.501 2.991 50 0 HFAARN O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1nc2ccccc2s1 ZINC000010691079 558417899 /nfs/dbraw/zinc/41/78/99/558417899.db2.gz ZTDJWDQUDZGEIN-UHFFFAOYSA-N 0 0 400.441 2.906 50 0 HFAARN CN(CCCCN1CCOCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000020914982 558422780 /nfs/dbraw/zinc/42/27/80/558422780.db2.gz WGZQPZMTYGHXMF-UHFFFAOYSA-N 0 0 409.433 2.716 50 0 HFAARN COCCn1c(CN(C)Cc2ccno2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000020994024 558426490 /nfs/dbraw/zinc/42/64/90/558426490.db2.gz FCSVQMWCLOFIBT-UHFFFAOYSA-N 0 0 410.540 2.504 50 0 HFAARN Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3ccccc3C)n(C)c2=O)c1 ZINC000012538630 558426731 /nfs/dbraw/zinc/42/67/31/558426731.db2.gz JSXGJXIGSDNJGS-UHFFFAOYSA-N 0 0 401.470 2.714 50 0 HFAARN CNC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCCC2 ZINC000004348789 558428315 /nfs/dbraw/zinc/42/83/15/558428315.db2.gz NTJVBVFVOFXOII-UHFFFAOYSA-N 0 0 411.483 2.892 50 0 HFAARN Cc1nn(-c2ccc(C)cc2)c2c1nc(CCC(=O)N1CCC(C)CC1)c(=O)n2C ZINC000021040328 558429959 /nfs/dbraw/zinc/42/99/59/558429959.db2.gz RQHUWBAATPYDCO-UHFFFAOYSA-N 0 0 407.518 2.927 50 0 HFAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@H]4CCOC4)CC3)c2)s1 ZINC000012581903 558432861 /nfs/dbraw/zinc/43/28/61/558432861.db2.gz ZIDWPXFIRYNOIJ-INIZCTEOSA-N 0 0 400.504 2.727 50 0 HFAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N[C@H]1CCCCNC1=O ZINC000012584096 558433673 /nfs/dbraw/zinc/43/36/73/558433673.db2.gz XOCJCVSMYZITPT-INIZCTEOSA-N 0 0 416.909 2.911 50 0 HFAARN CCOC(=O)Cc1csc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000021283286 558434809 /nfs/dbraw/zinc/43/48/09/558434809.db2.gz VNZJAILPLNELRB-LBPRGKRZSA-N 0 0 422.528 2.989 50 0 HFAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)c(C(F)(F)F)c2)n1 ZINC000072037096 558434835 /nfs/dbraw/zinc/43/48/35/558434835.db2.gz ITBXNXWGBAGQIL-CQSZACIVSA-N 0 0 415.437 2.559 50 0 HFAARN Cc1nn(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(=S)s1 ZINC000021322692 558435694 /nfs/dbraw/zinc/43/56/94/558435694.db2.gz VQNWHRSDWKECQW-UHFFFAOYSA-N 0 0 412.606 2.872 50 0 HFAARN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCN(C(=O)c2cccs2)CC1 ZINC000012591154 558435961 /nfs/dbraw/zinc/43/59/61/558435961.db2.gz MXFXQPWQJHBUCL-UHFFFAOYSA-N 0 0 415.906 2.640 50 0 HFAARN CCCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000021355576 558437160 /nfs/dbraw/zinc/43/71/60/558437160.db2.gz XYYXOIFYLYLGDN-HSZRJFAPSA-N 0 0 417.469 2.778 50 0 HFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccc2c3c(cccc31)CC2 ZINC000021389286 558437688 /nfs/dbraw/zinc/43/76/88/558437688.db2.gz UNLUFLDEJWDLTF-UHFFFAOYSA-N 0 0 423.538 2.917 50 0 HFAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000021413702 558437881 /nfs/dbraw/zinc/43/78/81/558437881.db2.gz LAPUETHVEZBXFD-UHFFFAOYSA-N 0 0 417.878 2.713 50 0 HFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H]2CCCCO2)c1 ZINC000012596869 558438174 /nfs/dbraw/zinc/43/81/74/558438174.db2.gz KHSXOFLSLMUXGI-LJQANCHMSA-N 0 0 404.507 2.726 50 0 HFAARN O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccco1 ZINC000021521407 558440087 /nfs/dbraw/zinc/44/00/87/558440087.db2.gz DXGYXKKYHQKCNR-UHFFFAOYSA-N 0 0 406.442 2.694 50 0 HFAARN Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4cccs4)nnc3c2=O)c1 ZINC000021540499 558441187 /nfs/dbraw/zinc/44/11/87/558441187.db2.gz DQBLQUHIIYNARQ-UHFFFAOYSA-N 0 0 407.499 2.808 50 0 HFAARN C=C1c2ccccc2C(=O)N1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012697253 558447011 /nfs/dbraw/zinc/44/70/11/558447011.db2.gz CAJLNONRTZOSDT-UHFFFAOYSA-N 0 0 411.483 2.536 50 0 HFAARN COc1ccc(C(=O)COC(=O)CCNC(=O)CCC(=O)c2cccs2)cc1F ZINC000021732012 558447361 /nfs/dbraw/zinc/44/73/61/558447361.db2.gz VTMVVBLVSKSEBK-UHFFFAOYSA-N 0 0 421.446 2.791 50 0 HFAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(CC3CCCC3)[nH]2)CC1 ZINC000021824398 558451212 /nfs/dbraw/zinc/45/12/12/558451212.db2.gz YHZYZTXHSPSJDA-UHFFFAOYSA-N 0 0 415.563 2.987 50 0 HFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000021847544 558452153 /nfs/dbraw/zinc/45/21/53/558452153.db2.gz GBCIJKJMIQSGAX-MRXNPFEDSA-N 0 0 409.486 2.763 50 0 HFAARN Cc1ccc2cc(COC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)c(Cl)nc2c1 ZINC000021856736 558452710 /nfs/dbraw/zinc/45/27/10/558452710.db2.gz VIBSVFXQWQIRRO-UHFFFAOYSA-N 0 0 417.874 2.737 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CCOc3ccccc3C)cc2C[C@@H]1C ZINC000021868759 558452945 /nfs/dbraw/zinc/45/29/45/558452945.db2.gz CBLPIQWAEJXVKV-INIZCTEOSA-N 0 0 402.516 2.992 50 0 HFAARN Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C2CC2)cc1 ZINC000021878079 558453229 /nfs/dbraw/zinc/45/32/29/558453229.db2.gz ZYUZXLFVXMMIND-XUZZJYLKSA-N 0 0 419.481 2.792 50 0 HFAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C2CC2)cc1 ZINC000021878081 558453321 /nfs/dbraw/zinc/45/33/21/558453321.db2.gz ZYUZXLFVXMMIND-QPPBQGQZSA-N 0 0 419.481 2.792 50 0 HFAARN COC[C@@H]1CCCCN1C(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 ZINC000012718023 558456010 /nfs/dbraw/zinc/45/60/10/558456010.db2.gz INGBOXKRIGNXQJ-INIZCTEOSA-N 0 0 403.479 2.638 50 0 HFAARN CC(=O)N1CCc2cc(NC(=O)COC(=O)c3cc(O)c4ccccc4c3O)ccc21 ZINC000021997117 558457230 /nfs/dbraw/zinc/45/72/30/558457230.db2.gz ITFHEARYVPCWTF-UHFFFAOYSA-N 0 0 420.421 2.956 50 0 HFAARN CS(=O)(=O)N1CCC(C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)CC1 ZINC000219321595 558457679 /nfs/dbraw/zinc/45/76/79/558457679.db2.gz CQHDSFMSYCQGBM-KRWDZBQOSA-N 0 0 418.531 2.643 50 0 HFAARN COC(=O)c1cc(NC(=O)COC(=O)c2cc3ccccc3o2)cc(C(=O)OC)c1 ZINC000004362411 558459512 /nfs/dbraw/zinc/45/95/12/558459512.db2.gz HBCGTTKLUMPAQM-UHFFFAOYSA-N 0 0 411.366 2.802 50 0 HFAARN Cc1ccc2nc(COC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)n2c1 ZINC000022050338 558459904 /nfs/dbraw/zinc/45/99/04/558459904.db2.gz IDHLJIZIMCBDKJ-UHFFFAOYSA-N 0 0 423.444 2.738 50 0 HFAARN CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)s1 ZINC000012791327 558465767 /nfs/dbraw/zinc/46/57/67/558465767.db2.gz VEIXVJXTLDYJOU-UHFFFAOYSA-N 0 0 408.427 2.754 50 0 HFAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(OC)c1 ZINC000012792939 558466697 /nfs/dbraw/zinc/46/66/97/558466697.db2.gz GQMRDMUGCSTURC-UHFFFAOYSA-N 0 0 414.487 2.773 50 0 HFAARN COc1ccc2c(COC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)cc(=O)oc2c1 ZINC000012796812 558469333 /nfs/dbraw/zinc/46/93/33/558469333.db2.gz XLBCXEAEMQCXNZ-GFCCVEGCSA-N 0 0 407.378 2.530 50 0 HFAARN C[C@H](Sc1nnc(-c2cccs2)n1CC(N)=O)C(=O)Nc1cccc(F)c1 ZINC000012800269 558471400 /nfs/dbraw/zinc/47/14/00/558471400.db2.gz OOQMYCJTUKCWRQ-JTQLQIEISA-N 0 0 405.480 2.750 50 0 HFAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ncccc1O ZINC000022265146 558475173 /nfs/dbraw/zinc/47/51/73/558475173.db2.gz QEEGQKOACWNWNL-UHFFFAOYSA-N 0 0 401.419 2.908 50 0 HFAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1 ZINC000004374830 558475677 /nfs/dbraw/zinc/47/56/77/558475677.db2.gz GTZXHMSGAHMEMF-UHFFFAOYSA-N 0 0 409.446 2.894 50 0 HFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000010833941 558477958 /nfs/dbraw/zinc/47/79/58/558477958.db2.gz KPXYZHBSBQLXFE-OAHLLOKOSA-N 0 0 416.421 2.926 50 0 HFAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 ZINC000012843440 558478629 /nfs/dbraw/zinc/47/86/29/558478629.db2.gz RTVPOHDYHGGGSJ-MRXNPFEDSA-N 0 0 415.515 2.593 50 0 HFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(C)c2C)n(C)c1=O ZINC000004370492 558479411 /nfs/dbraw/zinc/47/94/11/558479411.db2.gz XCIRWOHDPZGNMU-HNNXBMFYSA-N 0 0 407.474 2.522 50 0 HFAARN COc1cc(C(=O)NCC(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000012911689 558484458 /nfs/dbraw/zinc/48/44/58/558484458.db2.gz HBHCFRUGPIISPZ-OAHLLOKOSA-N 0 0 400.475 2.580 50 0 HFAARN Cc1ccc([C@](O)(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C(F)(F)F)o1 ZINC000012941363 558487095 /nfs/dbraw/zinc/48/70/95/558487095.db2.gz OJCCWSAQXSNRTB-MRXNPFEDSA-N 0 0 406.307 2.761 50 0 HFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)n3C)n1C ZINC000004386565 558487477 /nfs/dbraw/zinc/48/74/77/558487477.db2.gz NFXVGVRBHADJKD-UHFFFAOYSA-N 0 0 406.273 2.658 50 0 HFAARN C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CN2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000012943936 558487720 /nfs/dbraw/zinc/48/77/20/558487720.db2.gz GPYNDMMXSRNUIP-APWZRJJASA-N 0 0 411.502 2.908 50 0 HFAARN C[C@@H](C(=O)NCCCN1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000022418864 558488663 /nfs/dbraw/zinc/48/86/63/558488663.db2.gz UAXBSDFVWKOUGM-NSHDSACASA-N 0 0 408.852 2.832 50 0 HFAARN Cc1ccc(C)c(OCCOc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c1 ZINC000022457470 558490534 /nfs/dbraw/zinc/49/05/34/558490534.db2.gz FDWBGWWBUMVCPV-UHFFFAOYSA-N 0 0 418.515 2.645 50 0 HFAARN O=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012978050 558492348 /nfs/dbraw/zinc/49/23/48/558492348.db2.gz SIFROHINLUHIGQ-UHFFFAOYSA-N 0 0 408.907 2.933 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2=O)c(OC)c1 ZINC000012977961 558492357 /nfs/dbraw/zinc/49/23/57/558492357.db2.gz XHHPGQMAPSWERK-OAHLLOKOSA-N 0 0 423.469 2.822 50 0 HFAARN O=c1n(CCSc2nnc(NCc3ccc(F)cc3)s2)nc2ccccn21 ZINC000012978609 558492616 /nfs/dbraw/zinc/49/26/16/558492616.db2.gz NYWHMUTVOZCKJG-UHFFFAOYSA-N 0 0 402.480 2.891 50 0 HFAARN CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022512372 558493109 /nfs/dbraw/zinc/49/31/09/558493109.db2.gz DPJQEXTZHIYMDX-FUHWJXTLSA-N 0 0 424.563 2.942 50 0 HFAARN O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000012982224 558493824 /nfs/dbraw/zinc/49/38/24/558493824.db2.gz UGHDYCMLELKDJT-UHFFFAOYSA-N 0 0 420.441 2.521 50 0 HFAARN COCCNC(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1Cc1ccco1 ZINC000012986797 558495606 /nfs/dbraw/zinc/49/56/06/558495606.db2.gz CGEORYOQUJAASZ-AWEZNQCLSA-N 0 0 416.503 2.838 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(-n3cncn3)cc2)ccc1C ZINC000012989270 558496363 /nfs/dbraw/zinc/49/63/63/558496363.db2.gz ICLKGYCKEYSUCM-UHFFFAOYSA-N 0 0 413.503 2.859 50 0 HFAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012999516 558499875 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COc1cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc(OC)c1OC ZINC000012080583 560888733 /nfs/dbraw/zinc/88/87/33/560888733.db2.gz JHZGZYAVMGTGRG-FMQUCBEESA-N 0 0 402.428 2.735 50 0 HFAARN Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000012111638 560889329 /nfs/dbraw/zinc/88/93/29/560889329.db2.gz OLANVSDMJSKDGJ-NSHDSACASA-N 0 0 406.533 2.948 50 0 HFAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1 ZINC000012123808 560889646 /nfs/dbraw/zinc/88/96/46/560889646.db2.gz UDRQIKBYWXPTRE-UHFFFAOYSA-N 0 0 403.398 2.500 50 0 HFAARN CCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1 ZINC000012166337 560890487 /nfs/dbraw/zinc/89/04/87/560890487.db2.gz NQEPOVOWBJEOCC-UHFFFAOYSA-N 0 0 416.449 2.519 50 0 HFAARN COc1cccc(COc2cn(C)c(C(=O)NCCc3ccccc3OC)cc2=O)c1 ZINC000012167244 560890702 /nfs/dbraw/zinc/89/07/02/560890702.db2.gz ZNMXFZAJAYEUEE-UHFFFAOYSA-N 0 0 422.481 2.954 50 0 HFAARN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106920787 560894463 /nfs/dbraw/zinc/89/44/63/560894463.db2.gz AWKOLUIXYGKGNI-ICSRJNTNSA-N 0 0 408.564 2.881 50 0 HFAARN COC(=O)c1ccc(CNC(=O)CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000106920953 560894489 /nfs/dbraw/zinc/89/44/89/560894489.db2.gz FXFKYGRNLVCPAX-UXHICEINSA-N 0 0 416.518 2.533 50 0 HFAARN C[C@H](CC[S@](C)=O)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000107066057 560895168 /nfs/dbraw/zinc/89/51/68/560895168.db2.gz OHXJTPSNDORKBB-HILDBFKBSA-N 0 0 405.347 2.871 50 0 HFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cnccc32)c(OC)c1 ZINC000012227747 560895374 /nfs/dbraw/zinc/89/53/74/560895374.db2.gz RUDREDPNGSYWSD-UHFFFAOYSA-N 0 0 415.471 2.511 50 0 HFAARN CC(C)[C@H](C(=O)N1CCCN(Cc2ccccc2F)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000107135908 560895633 /nfs/dbraw/zinc/89/56/33/560895633.db2.gz ZNLVZJQOPNANHU-WOIUINJBSA-N 0 0 405.558 2.994 50 0 HFAARN O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907332 568415739 /nfs/dbraw/zinc/41/57/39/568415739.db2.gz UNTNJARUOYQRPO-LJQANCHMSA-N 0 0 409.511 2.873 50 0 HFAARN C[C@@H]1COCCN1c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)cc1 ZINC000108397361 568418808 /nfs/dbraw/zinc/41/88/08/568418808.db2.gz PJYWETIMRSHHQY-QKUWSGOFSA-N 0 0 418.563 2.576 50 0 HFAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCCC1 ZINC000046027494 568424429 /nfs/dbraw/zinc/42/44/29/568424429.db2.gz ABZCJWSDRGSOBB-UHFFFAOYSA-N 0 0 401.532 2.809 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)N[C@@H](C)CC)CC2)c1C ZINC000046046136 568425245 /nfs/dbraw/zinc/42/52/45/568425245.db2.gz NTZDCBAKPIIQRJ-AWEZNQCLSA-N 0 0 405.539 2.894 50 0 HFAARN CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 ZINC000046073893 568426654 /nfs/dbraw/zinc/42/66/54/568426654.db2.gz REDQYKLLTIRQSP-SNVBAGLBSA-N 0 0 423.292 2.709 50 0 HFAARN CCS(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046123894 568428424 /nfs/dbraw/zinc/42/84/24/568428424.db2.gz NMPHFYFZRFLAGS-NSHDSACASA-N 0 0 414.940 2.973 50 0 HFAARN COc1ccccc1/C=C/C(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000046145138 568430380 /nfs/dbraw/zinc/43/03/80/568430380.db2.gz SGMOZXKGKVCMGL-FMIVXFBMSA-N 0 0 414.527 2.986 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000046145376 568430503 /nfs/dbraw/zinc/43/05/03/568430503.db2.gz BOPBUIXIUYCBFX-UHFFFAOYSA-N 0 0 408.907 2.932 50 0 HFAARN O=C(COc1ccccc1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000046145286 568430525 /nfs/dbraw/zinc/43/05/25/568430525.db2.gz IFBSFEARRMSGEX-UHFFFAOYSA-N 0 0 408.907 2.688 50 0 HFAARN O=C(NCCCS(=O)(=O)Cc1ccccc1)Nc1ccc(N2CCCC2)nc1 ZINC000048082751 568432100 /nfs/dbraw/zinc/43/21/00/568432100.db2.gz ZYZLVVVIAOQYDI-UHFFFAOYSA-N 0 0 402.520 2.808 50 0 HFAARN CC[C@@](C)(CNC(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl)N1CCOCC1 ZINC000048113084 568432104 /nfs/dbraw/zinc/43/21/04/568432104.db2.gz GCBLGYMRSSYUAQ-IBGZPJMESA-N 0 0 413.902 2.758 50 0 HFAARN O=C(Nc1cc(F)ccc1C(=O)NCc1cccnc1-n1cncn1)c1ccoc1 ZINC000048234530 568432593 /nfs/dbraw/zinc/43/25/93/568432593.db2.gz XWYLWFNLFYXRPG-UHFFFAOYSA-N 0 0 406.377 2.577 50 0 HFAARN COC(=O)C1(c2ccccc2)CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000048273212 568434089 /nfs/dbraw/zinc/43/40/89/568434089.db2.gz UVGHJVOQHVUZNL-UHFFFAOYSA-N 0 0 409.486 2.598 50 0 HFAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)c2)n1 ZINC000048252369 568434345 /nfs/dbraw/zinc/43/43/45/568434345.db2.gz RZLDRMHMIFIJOI-QGZVFWFLSA-N 0 0 423.517 2.866 50 0 HFAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000048287138 568434582 /nfs/dbraw/zinc/43/45/82/568434582.db2.gz VZBAKRBIDGSBRU-HNNXBMFYSA-N 0 0 408.545 2.729 50 0 HFAARN CN(C)C(=O)Cc1ccc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000048303905 568436299 /nfs/dbraw/zinc/43/62/99/568436299.db2.gz ZCFIOOBDXIUADT-FQEVSTJZSA-N 0 0 408.502 2.803 50 0 HFAARN COc1cccc(OC)c1OC1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048309910 568436564 /nfs/dbraw/zinc/43/65/64/568436564.db2.gz SZEXGZFHTHFVOJ-UHFFFAOYSA-N 0 0 401.488 2.817 50 0 HFAARN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000048302583 568437679 /nfs/dbraw/zinc/43/76/79/568437679.db2.gz RMNXLQPDJKCNIU-SFHVURJKSA-N 0 0 407.392 2.882 50 0 HFAARN O=C(NCCNc1ccc(C(F)(F)F)cn1)c1nc(N2CCCC2)ncc1Cl ZINC000048324289 568438249 /nfs/dbraw/zinc/43/82/49/568438249.db2.gz FLSWTINMEUWZHO-UHFFFAOYSA-N 0 0 414.819 2.986 50 0 HFAARN C[C@H](CN1CCCC1=O)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000048332304 568440020 /nfs/dbraw/zinc/44/00/20/568440020.db2.gz QBKJPIVHSZHLJL-CYBMUJFWSA-N 0 0 414.428 2.674 50 0 HFAARN Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000012230445 568442857 /nfs/dbraw/zinc/44/28/57/568442857.db2.gz VXTBUOQHDJBPBT-UHFFFAOYSA-N 0 0 409.417 2.612 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)cc1 ZINC000048988374 568444046 /nfs/dbraw/zinc/44/40/46/568444046.db2.gz GJJTWHZANKEAFD-UHFFFAOYSA-N 0 0 405.454 2.702 50 0 HFAARN COc1ccccc1-c1noc(Cn2ncn3nc(-c4cccs4)cc3c2=O)n1 ZINC000049004368 568446743 /nfs/dbraw/zinc/44/67/43/568446743.db2.gz CXBDCWGIRGQQSV-UHFFFAOYSA-N 0 0 406.427 2.726 50 0 HFAARN COCCCNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000049093444 568446996 /nfs/dbraw/zinc/44/69/96/568446996.db2.gz XOHUPZDSRGQDQQ-OAQYLSRUSA-N 0 0 404.532 2.866 50 0 HFAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(N3CCC[C@@H](C)C3)nccn2c1=O ZINC000049399905 568447500 /nfs/dbraw/zinc/44/75/00/568447500.db2.gz VIXIDZZHJFRTGO-CYBMUJFWSA-N 0 0 414.897 2.728 50 0 HFAARN COc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(C)c4)CC3)nc2N)cc1 ZINC000049401549 568447868 /nfs/dbraw/zinc/44/78/68/568447868.db2.gz UIXAAJLOTDPVCD-UHFFFAOYSA-N 0 0 418.501 2.955 50 0 HFAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccccc3F)ncn2)CC1 ZINC000049402052 568447972 /nfs/dbraw/zinc/44/79/72/568447972.db2.gz IQFIWMQKHJWKIF-UHFFFAOYSA-N 0 0 417.510 2.699 50 0 HFAARN Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000049406102 568448931 /nfs/dbraw/zinc/44/89/31/568448931.db2.gz SEHOOEDCRCZVQR-UHFFFAOYSA-N 0 0 407.449 2.749 50 0 HFAARN CCOc1ccccc1-n1ccn(Cc2nc(-c3cccc(OC)c3)no2)c(=O)c1=O ZINC000049407786 568449166 /nfs/dbraw/zinc/44/91/66/568449166.db2.gz MIWWCTQTZGBHOA-UHFFFAOYSA-N 0 0 420.425 2.505 50 0 HFAARN CC1CCN(S(=O)(=O)c2ccc3nn(Cc4ccccc4Cl)c(=O)n3c2)CC1 ZINC000049407993 568449239 /nfs/dbraw/zinc/44/92/39/568449239.db2.gz JGAQTJDPNSERAJ-UHFFFAOYSA-N 0 0 420.922 2.618 50 0 HFAARN COc1ccc([C@@H](C)n2c(=O)[nH]c3c(-c4ccccn4)nsc3c2=O)cc1OC ZINC000049409998 568449781 /nfs/dbraw/zinc/44/97/81/568449781.db2.gz RCTIUNQNTIITFW-LLVKDONJSA-N 0 0 410.455 2.835 50 0 HFAARN COc1ccc([C@H](C)n2c(=O)[nH]c3c(-c4ccccn4)nsc3c2=O)cc1OC ZINC000049409996 568449784 /nfs/dbraw/zinc/44/97/84/568449784.db2.gz RCTIUNQNTIITFW-NSHDSACASA-N 0 0 410.455 2.835 50 0 HFAARN COc1cccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)c1 ZINC000049411371 568450149 /nfs/dbraw/zinc/45/01/49/568450149.db2.gz IWDMIHAVLPSDKV-UHFFFAOYSA-N 0 0 424.482 2.829 50 0 HFAARN COc1cc(-c2noc(CN3C(=O)COc4cc(C)ccc43)n2)cc(OC)c1OC ZINC000049422370 568450843 /nfs/dbraw/zinc/45/08/43/568450843.db2.gz QAAIUBLMOODRBD-UHFFFAOYSA-N 0 0 411.414 2.996 50 0 HFAARN O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc(F)c(F)c1 ZINC000049574823 568452238 /nfs/dbraw/zinc/45/22/38/568452238.db2.gz GFUYNUXAWMLESU-UHFFFAOYSA-N 0 0 409.410 2.922 50 0 HFAARN C[C@@H]1CCC[C@H](N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)[C@@H]1C ZINC000049580866 568452688 /nfs/dbraw/zinc/45/26/88/568452688.db2.gz IFIRXTQZNUEPRU-UKAVVXHISA-N 0 0 411.546 2.644 50 0 HFAARN O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000049634672 568452694 /nfs/dbraw/zinc/45/26/94/568452694.db2.gz BAEWFMWATIRABE-INIZCTEOSA-N 0 0 410.449 2.555 50 0 HFAARN CCCCn1c2c(nc1-n1nc(C)cc1C)n(C)c(=O)n(Cc1ccccc1F)c2=O ZINC000012231559 568453778 /nfs/dbraw/zinc/45/37/78/568453778.db2.gz WPKQEYIWXOLADT-UHFFFAOYSA-N 0 0 424.480 2.687 50 0 HFAARN CS(=O)(=O)Oc1ccc(Cl)cc1CN(C[C@@H]1CCCO1)C(=O)C1CCC1 ZINC000006766702 568459120 /nfs/dbraw/zinc/45/91/20/568459120.db2.gz VXIZAMACWGCYBW-INIZCTEOSA-N 0 0 401.912 2.986 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000000666073 568460510 /nfs/dbraw/zinc/46/05/10/568460510.db2.gz AOGFQRVDLMJUIC-XLIONFOSSA-N 0 0 416.543 2.954 50 0 HFAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000024765209 568461771 /nfs/dbraw/zinc/46/17/71/568461771.db2.gz AHCNFSBBYOINLD-GFCCVEGCSA-N 0 0 418.906 2.973 50 0 HFAARN Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)o1 ZINC000012302916 568464255 /nfs/dbraw/zinc/46/42/55/568464255.db2.gz SUCQQCXKKJDNBE-GOSISDBHSA-N 0 0 407.536 2.779 50 0 HFAARN O=c1c(=Cc2ccc(-c3ccc(-n4cnnn4)cc3)o2)sc2nc3ccccc3n12 ZINC000000680892 568465245 /nfs/dbraw/zinc/46/52/45/568465245.db2.gz LTZZVPCTOVAJGG-UHFFFAOYSA-N 0 0 412.434 2.693 50 0 HFAARN Cc1cccc(-n2c(-c3ccc(F)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000000719167 568465978 /nfs/dbraw/zinc/46/59/78/568465978.db2.gz JWKKNRYGIOXQRG-UHFFFAOYSA-N 0 0 403.417 2.790 50 0 HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3cn4ccccc4n3)cc2)c1C ZINC000024824238 568467588 /nfs/dbraw/zinc/46/75/88/568467588.db2.gz VUCOFVAGGINMQW-UHFFFAOYSA-N 0 0 403.442 2.935 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC000012321568 568470882 /nfs/dbraw/zinc/47/08/82/568470882.db2.gz YJEWXWHWVUXSNP-UHFFFAOYSA-N 0 0 401.224 2.636 50 0 HFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)c1cccnc1 ZINC000012322667 568471096 /nfs/dbraw/zinc/47/10/96/568471096.db2.gz MHUGTEJGMDYNTB-MRXNPFEDSA-N 0 0 412.755 2.680 50 0 HFAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccncc3)o2)cc1OC ZINC000000792128 568480976 /nfs/dbraw/zinc/48/09/76/568480976.db2.gz JTLDVTFGFXLPMV-UHFFFAOYSA-N 0 0 400.460 2.600 50 0 HFAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000798936 568483120 /nfs/dbraw/zinc/48/31/20/568483120.db2.gz DTEMPSVFNOZGDL-KRWDZBQOSA-N 0 0 420.487 2.926 50 0 HFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccc(O)cc12 ZINC000604405923 568490816 /nfs/dbraw/zinc/49/08/16/568490816.db2.gz TUZIQRHXSISAHI-WGGBDISSSA-N 0 0 405.454 2.642 50 0 biogenic HFAARN CC(C)c1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000000810380 568491424 /nfs/dbraw/zinc/49/14/24/568491424.db2.gz ZTCQYNJOARKKQV-UHFFFAOYSA-N 0 0 404.488 2.621 50 0 HFAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C ZINC000000812751 568493823 /nfs/dbraw/zinc/49/38/23/568493823.db2.gz AOFAZJOSZUVLCE-UHFFFAOYSA-N 0 0 401.444 2.590 50 0 HFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 ZINC000012348400 568495421 /nfs/dbraw/zinc/49/54/21/568495421.db2.gz JBZSOVYXVPWYPU-UHFFFAOYSA-N 0 0 415.906 2.636 50 0 HFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n(N)c2=O)cc1 ZINC000012347948 568495872 /nfs/dbraw/zinc/49/58/72/568495872.db2.gz XGIQGPPQKDKBNQ-UHFFFAOYSA-N 0 0 409.515 2.599 50 0 HFAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccccc1Cl ZINC000000828871 568500228 /nfs/dbraw/zinc/50/02/28/568500228.db2.gz FHWYFECSYWOPHZ-JKSUJKDBSA-N 0 0 405.841 2.816 50 0 HFAARN COc1ccc(OC)c2c1CN(Cn1nc(-c3ccncc3)n(C)c1=S)C[C@@H]2O ZINC000031783415 568505354 /nfs/dbraw/zinc/50/53/54/568505354.db2.gz FGRSCCROTCYEAD-HNNXBMFYSA-N 0 0 413.503 2.537 50 0 HFAARN O=C(COc1ccc(Br)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000005776278 568505363 /nfs/dbraw/zinc/50/53/63/568505363.db2.gz RJQOFGNBIRNKPY-UHFFFAOYSA-N 0 0 404.216 2.667 50 0 HFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000000831433 568507862 /nfs/dbraw/zinc/50/78/62/568507862.db2.gz CKGJLWLZHHJCOM-FQEVSTJZSA-N 0 0 415.490 2.659 50 0 HFAARN O=C(CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)NC[C@@H]1CCCO1 ZINC000033011519 568510270 /nfs/dbraw/zinc/51/02/70/568510270.db2.gz VMMQTSUDKRABCF-LBPRGKRZSA-N 0 0 412.924 2.831 50 0 HFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000032999974 568510700 /nfs/dbraw/zinc/51/07/00/568510700.db2.gz IWRKCYMSBXNSOA-KRWDZBQOSA-N 0 0 421.950 2.711 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1F ZINC000000833180 568511867 /nfs/dbraw/zinc/51/18/67/568511867.db2.gz GDYCOKWSOUGUFA-MUMAZLPKSA-N 0 0 412.442 2.530 50 0 HFAARN C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000223213242 568541198 /nfs/dbraw/zinc/54/11/98/568541198.db2.gz JDZDHQJHNYHAKL-HNAYVOBHSA-N 0 0 414.527 2.666 50 0 HFAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000012378138 568551284 /nfs/dbraw/zinc/55/12/84/568551284.db2.gz RBWFTWVJBRTZPG-UHFFFAOYSA-N 0 0 422.304 2.766 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000020069038 568587230 /nfs/dbraw/zinc/58/72/30/568587230.db2.gz HVZRHRMCTUMTPB-IPMKNSEASA-N 0 0 421.526 2.999 50 0 HFAARN O=C(C1CN(c2cc(-c3ccccc3)ncn2)C1)N1CCN(c2ccc(O)cc2)CC1 ZINC000390827613 568591572 /nfs/dbraw/zinc/59/15/72/568591572.db2.gz IIVCCYPOJWGYNQ-UHFFFAOYSA-N 0 0 415.497 2.634 50 0 HFAARN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000095347456 568599919 /nfs/dbraw/zinc/59/99/19/568599919.db2.gz PXCWMIALOHJKLS-OAQYLSRUSA-N 0 0 413.905 2.674 50 0 HFAARN O=C(c1cccc(S(=O)(=O)Cc2ccccc2)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000095400352 568605025 /nfs/dbraw/zinc/60/50/25/568605025.db2.gz BYYLGCKVZKKVES-SFHVURJKSA-N 0 0 413.417 2.800 50 0 HFAARN CCOC(=O)CNC(=O)C1CCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 ZINC000095430415 568608936 /nfs/dbraw/zinc/60/89/36/568608936.db2.gz KRNRGOVAZVWGOS-UHFFFAOYSA-N 0 0 418.515 2.750 50 0 HFAARN COc1ccc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c(OC)c1OC ZINC000095432571 568609375 /nfs/dbraw/zinc/60/93/75/568609375.db2.gz RQVLCSFQWDZRCW-OAHLLOKOSA-N 0 0 402.455 2.758 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)c1cccc(C)n1 ZINC000040071718 568612254 /nfs/dbraw/zinc/61/22/54/568612254.db2.gz QGSIUYXCUUNOJF-UHFFFAOYSA-N 0 0 406.460 2.992 50 0 HFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000095447615 568612527 /nfs/dbraw/zinc/61/25/27/568612527.db2.gz OPHUYPKIJZFESE-MLGOLLRUSA-N 0 0 421.410 2.814 50 0 HFAARN CC(=O)N1CCOC[C@H]1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000095448666 568612940 /nfs/dbraw/zinc/61/29/40/568612940.db2.gz MWHPSPHXLMGNQZ-INIZCTEOSA-N 0 0 407.923 2.903 50 0 HFAARN Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccccc1Br ZINC000095451730 568614883 /nfs/dbraw/zinc/61/48/83/568614883.db2.gz ZFTOPNZNDITSNG-CYBMUJFWSA-N 0 0 400.298 2.551 50 0 HFAARN COC(=O)c1cccc(CCNC(=O)CSCC(=O)Nc2cccc(C)c2)c1 ZINC000095454105 568616043 /nfs/dbraw/zinc/61/60/43/568616043.db2.gz MYWXJMJDSDBIJA-UHFFFAOYSA-N 0 0 400.500 2.812 50 0 HFAARN CCOC(=O)C1(C)CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 ZINC000095457859 568618746 /nfs/dbraw/zinc/61/87/46/568618746.db2.gz MVCFQQGWLFCTDL-INIZCTEOSA-N 0 0 402.491 2.630 50 0 HFAARN CCC1(CC)[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@@H](C)[C@@H]1OC ZINC000095458028 568618764 /nfs/dbraw/zinc/61/87/64/568618764.db2.gz OITPDAJFLLAKGX-JLZZUVOBSA-N 0 0 403.566 2.745 50 0 HFAARN O=C(CCc1ccccc1OC(F)(F)F)NC[C@H](O)C(=O)OCc1ccccc1 ZINC000095458570 568619058 /nfs/dbraw/zinc/61/90/58/568619058.db2.gz MCQKKFIQMOQQHS-INIZCTEOSA-N 0 0 411.376 2.738 50 0 HFAARN COC(=O)[C@@](C)(c1ccccn1)N(C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000095459812 568620044 /nfs/dbraw/zinc/62/00/44/568620044.db2.gz XMWUSEGGYLHQCY-SIKLNZKXSA-N 0 0 424.526 2.764 50 0 HFAARN O=C1N(CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2C12OCCO2 ZINC000020508758 568620218 /nfs/dbraw/zinc/62/02/18/568620218.db2.gz AFXRQWIOOOGHRT-RMKNXTFCSA-N 0 0 405.498 2.521 50 0 HFAARN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000095460704 568620221 /nfs/dbraw/zinc/62/02/21/568620221.db2.gz MNSHVCBHKRTEOC-QGZVFWFLSA-N 0 0 418.494 2.985 50 0 HFAARN C[C@@H](NC(=O)C1CCC1)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000095469675 568625877 /nfs/dbraw/zinc/62/58/77/568625877.db2.gz OXSIUVBONFJFPB-GHMZBOCLSA-N 0 0 411.296 2.702 50 0 HFAARN O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1ccccn1 ZINC000095472085 568627249 /nfs/dbraw/zinc/62/72/49/568627249.db2.gz BMBFPZFQZZOTEU-UHFFFAOYSA-N 0 0 400.910 2.870 50 0 HFAARN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)n1 ZINC000095473134 568628653 /nfs/dbraw/zinc/62/86/53/568628653.db2.gz NCLFUXWILHUWPV-GOSISDBHSA-N 0 0 405.458 2.521 50 0 HFAARN CC(C)n1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2c1=O ZINC000095474457 568629414 /nfs/dbraw/zinc/62/94/14/568629414.db2.gz SBRUAHLNDLSBJD-QGZVFWFLSA-N 0 0 404.470 2.965 50 0 HFAARN CCc1nc2cc(OC)c(OC)cc2c(=O)n1CCNC(=O)c1ccc2cc[nH]c2c1 ZINC000095475039 568629683 /nfs/dbraw/zinc/62/96/83/568629683.db2.gz SNSKGRIJSNLZEW-UHFFFAOYSA-N 0 0 420.469 2.887 50 0 HFAARN O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095476137 568630149 /nfs/dbraw/zinc/63/01/49/568630149.db2.gz ZWKCZJVJHTVQTM-UHFFFAOYSA-N 0 0 415.852 2.699 50 0 HFAARN O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478600 568631983 /nfs/dbraw/zinc/63/19/83/568631983.db2.gz RZTGUKYETGONRP-JTQLQIEISA-N 0 0 400.236 2.712 50 0 HFAARN COc1ccc(F)c2[nH]c(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)cc21 ZINC000225420925 568636410 /nfs/dbraw/zinc/63/64/10/568636410.db2.gz KJIBYCYEZJATOM-UHFFFAOYSA-N 0 0 401.360 2.846 50 0 HFAARN Cc1ccc(-c2nnc(NCc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)o2)c(C)c1 ZINC000225430786 568637663 /nfs/dbraw/zinc/63/76/63/568637663.db2.gz QVQTZEAGGOIYCS-IBGZPJMESA-N 0 0 401.492 2.696 50 0 HFAARN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CCc1nc(-c2ccncc2)no1 ZINC000225461351 568640235 /nfs/dbraw/zinc/64/02/35/568640235.db2.gz VWJNYOUKCIMRKN-GOEBONIOSA-N 0 0 415.494 2.826 50 0 HFAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCN3CCOCC3)c(C)c21 ZINC000020756964 568641552 /nfs/dbraw/zinc/64/15/52/568641552.db2.gz IJDAULQLDXTLPP-UHFFFAOYSA-N 0 0 412.486 2.845 50 0 biogenic HFAARN COCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@@H]1c1ccc(C)cc1 ZINC000225515206 568645806 /nfs/dbraw/zinc/64/58/06/568645806.db2.gz VPMSTZHOENSLII-LJQANCHMSA-N 0 0 401.488 2.691 50 0 HFAARN O=C(c1ccccc1F)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000020860855 568645891 /nfs/dbraw/zinc/64/58/91/568645891.db2.gz MXZIVHQSDIZQFO-UHFFFAOYSA-N 0 0 402.433 2.893 50 0 HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[C@H](OCc2ccncc2)C1 ZINC000225518880 568646237 /nfs/dbraw/zinc/64/62/37/568646237.db2.gz BTLTWPXPGIDNCO-RXVVDRJESA-N 0 0 424.545 2.721 50 0 HFAARN Cc1ccc(N(C)C(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000020930207 568651598 /nfs/dbraw/zinc/65/15/98/568651598.db2.gz OGHKGAUDLZYFJO-OAHLLOKOSA-N 0 0 416.499 2.850 50 0 HFAARN CCCN(CCC)S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000020935788 568652272 /nfs/dbraw/zinc/65/22/72/568652272.db2.gz VIJJUYZILQBYOU-UHFFFAOYSA-N 0 0 419.478 2.828 50 0 HFAARN COc1ccc(OC)c(CNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)c1 ZINC000020938172 568652371 /nfs/dbraw/zinc/65/23/71/568652371.db2.gz CTKOHVLRZCDCKL-UHFFFAOYSA-N 0 0 420.469 2.767 50 0 HFAARN CCc1nn2c(nc(COC(=O)c3ccccc3NC(=O)c3ccco3)cc2=O)s1 ZINC000020960833 568653668 /nfs/dbraw/zinc/65/36/68/568653668.db2.gz LDWMBFPFUDWJDB-UHFFFAOYSA-N 0 0 424.438 2.916 50 0 HFAARN Cc1cc(C)n(CCC(=O)NCCN2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000020989309 568655605 /nfs/dbraw/zinc/65/56/05/568655605.db2.gz IHGNMVULRUKOOW-UHFFFAOYSA-N 0 0 403.958 2.790 50 0 HFAARN O=C(CCc1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000020988592 568655629 /nfs/dbraw/zinc/65/56/29/568655629.db2.gz FZKWJXSYBHIRQH-UHFFFAOYSA-N 0 0 408.907 2.932 50 0 HFAARN C[C@H]1Oc2c(cccc2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)NC1=O ZINC000225600649 568655924 /nfs/dbraw/zinc/65/59/24/568655924.db2.gz HPMDLCBNLCTAML-ALLJEULLSA-N 0 0 400.475 2.990 50 0 HFAARN C[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000020992949 568656318 /nfs/dbraw/zinc/65/63/18/568656318.db2.gz LERHJZUTGDMHSA-NSHDSACASA-N 0 0 420.343 2.872 50 0 HFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCc1cccs1 ZINC000020995541 568656735 /nfs/dbraw/zinc/65/67/35/568656735.db2.gz BMEXRNSGNVMUCK-UHFFFAOYSA-N 0 0 418.540 2.527 50 0 HFAARN CN(CC(=O)NCCc1ccc(Cl)cc1)c1nnc(N2CCCCC2=O)s1 ZINC000021027446 568658814 /nfs/dbraw/zinc/65/88/14/568658814.db2.gz LVQADAQMTJRGHJ-UHFFFAOYSA-N 0 0 407.927 2.504 50 0 HFAARN CCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1OC ZINC000021028568 568658837 /nfs/dbraw/zinc/65/88/37/568658837.db2.gz ZPWRTNAASNYPCB-UHFFFAOYSA-N 0 0 424.544 2.870 50 0 HFAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 ZINC000021028217 568658894 /nfs/dbraw/zinc/65/88/94/568658894.db2.gz XRKWBQFKUHCDGW-QGZVFWFLSA-N 0 0 413.547 2.630 50 0 HFAARN Cc1nn(CCC(=O)Nc2cc(C)cc(C)c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028922 568659097 /nfs/dbraw/zinc/65/90/97/568659097.db2.gz DHVAAKMRXIVHDH-UHFFFAOYSA-N 0 0 404.536 2.930 50 0 HFAARN COc1cccc(CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c1 ZINC000021049381 568660672 /nfs/dbraw/zinc/66/06/72/568660672.db2.gz FJEDWYUCTVFISM-UHFFFAOYSA-N 0 0 404.470 2.868 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc(Br)c2)c1 ZINC000007966734 568661223 /nfs/dbraw/zinc/66/12/23/568661223.db2.gz RJOLNBUUMYCBLS-UHFFFAOYSA-N 0 0 413.293 2.717 50 0 HFAARN COc1ccccc1CCNC(=O)C(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095960423 568669794 /nfs/dbraw/zinc/66/97/94/568669794.db2.gz YEBOVXJIIPNWES-UHFFFAOYSA-N 0 0 405.539 2.685 50 0 HFAARN Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)N1CCc2ccccc2C1 ZINC000021155613 568673645 /nfs/dbraw/zinc/67/36/45/568673645.db2.gz VNFDNRQWXHXFIX-OAQYLSRUSA-N 0 0 422.554 2.619 50 0 HFAARN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)N(C)Cc2ccco2)c(C)n1C ZINC000021155899 568673678 /nfs/dbraw/zinc/67/36/78/568673678.db2.gz UDEKQZSVINHPLU-UHFFFAOYSA-N 0 0 407.536 2.928 50 0 HFAARN COCCN(C(=O)Nc1cccc(N2CCC(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000095983863 568675936 /nfs/dbraw/zinc/67/59/36/568675936.db2.gz JOPFLDGJVNNYOP-LJQANCHMSA-N 0 0 409.552 2.590 50 0 HFAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(Cl)cc2)CC3)n1C ZINC000096332613 568676518 /nfs/dbraw/zinc/67/65/18/568676518.db2.gz HBVGQBNDQGMAMD-UHFFFAOYSA-N 0 0 402.911 2.789 50 0 HFAARN CC(C)c1nnc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)n1C ZINC000095997260 568679147 /nfs/dbraw/zinc/67/91/47/568679147.db2.gz DFIDBECDNUCYFY-UHFFFAOYSA-N 0 0 401.536 2.583 50 0 HFAARN Cc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@]4(CCc5ccccc54)C3=O)c2cc1C ZINC000225835589 568679285 /nfs/dbraw/zinc/67/92/85/568679285.db2.gz AVKXJJPNFZBAAI-HXOBKFHXSA-N 0 0 405.454 2.835 50 0 HFAARN CCOc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)ccc1C ZINC000095998651 568679970 /nfs/dbraw/zinc/67/99/70/568679970.db2.gz FVNOYSSLOUUTOM-HNNXBMFYSA-N 0 0 406.508 2.508 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000095998761 568680170 /nfs/dbraw/zinc/68/01/70/568680170.db2.gz DGQHZGJQGWKFQO-AWEZNQCLSA-N 0 0 402.470 2.818 50 0 HFAARN COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCCN(c3nccc(OC)n3)C2)cc1 ZINC000095999586 568680554 /nfs/dbraw/zinc/68/05/54/568680554.db2.gz KOYCBSDZVUODNP-OAHLLOKOSA-N 0 0 408.462 2.853 50 0 HFAARN COc1ccccc1S(=O)(=O)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 ZINC000096000532 568681150 /nfs/dbraw/zinc/68/11/50/568681150.db2.gz DVOLVQURYYGGJP-MRXNPFEDSA-N 0 0 401.444 2.507 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000096000420 568681167 /nfs/dbraw/zinc/68/11/67/568681167.db2.gz WVLROPDPBPNSNZ-OAHLLOKOSA-N 0 0 406.508 2.590 50 0 HFAARN O=C(Nc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccccn2)C1)C1CCCC1 ZINC000096000408 568681171 /nfs/dbraw/zinc/68/11/71/568681171.db2.gz DHSPTCKRDIHQEO-OAHLLOKOSA-N 0 0 403.508 2.502 50 0 HFAARN NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)NCc2ccsc2)c1 ZINC000096012316 568684774 /nfs/dbraw/zinc/68/47/74/568684774.db2.gz GOKWJAYBPKQZSO-UHFFFAOYSA-N 0 0 409.714 2.741 50 0 HFAARN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000096008787 568683459 /nfs/dbraw/zinc/68/34/59/568683459.db2.gz KXNGSAILJBFPAD-SFHVURJKSA-N 0 0 413.499 2.555 50 0 HFAARN Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000021282378 568687064 /nfs/dbraw/zinc/68/70/64/568687064.db2.gz CNOHNFRLRBGISS-UHFFFAOYSA-N 0 0 410.879 2.679 50 0 HFAARN CCCCNC(=O)CN1c2ncnn2[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1C ZINC000021350463 568687700 /nfs/dbraw/zinc/68/77/00/568687700.db2.gz AXZDMBLHGSPPQS-HXUWFJFHSA-N 0 0 411.506 2.749 50 0 HFAARN CC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(=O)(=O)c2cccs2)C3)cc1 ZINC000096095774 568688534 /nfs/dbraw/zinc/68/85/34/568688534.db2.gz RTQLSGJQUYTBIJ-XOKHGSTOSA-N 0 0 419.528 2.924 50 0 HFAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc(Br)o1 ZINC000096096637 568689096 /nfs/dbraw/zinc/68/90/96/568689096.db2.gz LXKHFFUGCSJFOA-UHFFFAOYSA-N 0 0 423.292 2.894 50 0 HFAARN O=C([C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1)N1CCC2(CC1)OCCO2 ZINC000021362508 568690219 /nfs/dbraw/zinc/69/02/19/568690219.db2.gz SDHZKVMOKNACCK-GOSISDBHSA-N 0 0 424.501 2.851 50 0 biogenic HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099906 568691020 /nfs/dbraw/zinc/69/10/20/568691020.db2.gz LPXSHBCKACLSJW-UHFFFAOYSA-N 0 0 410.546 2.987 50 0 HFAARN CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(S(=O)(=O)N2CCCCC2)n1 ZINC000096101735 568691171 /nfs/dbraw/zinc/69/11/71/568691171.db2.gz LUNKZLZMQCADHF-AWEZNQCLSA-N 0 0 408.499 2.708 50 0 HFAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)s2)c1 ZINC000021370941 568692010 /nfs/dbraw/zinc/69/20/10/568692010.db2.gz MHVVHEIBMJGOMV-UHFFFAOYSA-N 0 0 416.480 2.858 50 0 HFAARN CCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105420 568692784 /nfs/dbraw/zinc/69/27/84/568692784.db2.gz JLKSGVGBRMGELX-UHFFFAOYSA-N 0 0 407.470 2.812 50 0 HFAARN CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000096105411 568692866 /nfs/dbraw/zinc/69/28/66/568692866.db2.gz BLVATWLJPASJTH-UHFFFAOYSA-N 0 0 407.470 2.812 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1 ZINC000096115572 568695231 /nfs/dbraw/zinc/69/52/31/568695231.db2.gz AESHWVOODVVSIO-SFHVURJKSA-N 0 0 406.442 2.636 50 0 biogenic HFAARN Cc1nc(-c2ccccc2F)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000012391430 568696068 /nfs/dbraw/zinc/69/60/68/568696068.db2.gz GBBNWUHDRBYSNB-UHFFFAOYSA-N 0 0 419.503 2.878 50 0 HFAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCCCc1nc2ccccc2[nH]1 ZINC000096118611 568698314 /nfs/dbraw/zinc/69/83/14/568698314.db2.gz BLPMMTPTRLZSGS-UHFFFAOYSA-N 0 0 405.433 2.675 50 0 HFAARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000018520486 568698988 /nfs/dbraw/zinc/69/89/88/568698988.db2.gz XSWFWJIFYOEDAL-HOCLYGCPSA-N 0 0 400.431 2.772 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 ZINC000096119825 568699069 /nfs/dbraw/zinc/69/90/69/568699069.db2.gz ACMFNWFJPQRZBP-UHFFFAOYSA-N 0 0 405.453 2.837 50 0 HFAARN COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cccc(Cl)c3C)C2)cc1 ZINC000096121905 568699956 /nfs/dbraw/zinc/69/99/56/568699956.db2.gz QZXBXCOXXNZHJL-UHFFFAOYSA-N 0 0 415.920 2.504 50 0 HFAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000096121885 568700076 /nfs/dbraw/zinc/70/00/76/568700076.db2.gz LDJAHAXZAYMLAY-UHFFFAOYSA-N 0 0 415.389 2.892 50 0 HFAARN CCn1c(C[C@H]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)C2)nc2cccnc21 ZINC000096124938 568701113 /nfs/dbraw/zinc/70/11/13/568701113.db2.gz ITUVUMFNVSTXJR-CYBMUJFWSA-N 0 0 406.458 2.983 50 0 HFAARN COCCn1c(C[C@H]2CCN(S(=O)(=O)c3cccc(C)c3)C2)nc2cccnc21 ZINC000096125063 568701393 /nfs/dbraw/zinc/70/13/93/568701393.db2.gz PWLQKNGGIXYWTL-QGZVFWFLSA-N 0 0 414.531 2.639 50 0 HFAARN CC(C)[C@@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000096221370 568705131 /nfs/dbraw/zinc/70/51/31/568705131.db2.gz LIXIBEIPXUUCRL-AZUAARDMSA-N 0 0 419.485 2.907 50 0 biogenic HFAARN COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4[nH]c(C)nc4c3)CC2=O)cc1OC ZINC000096223281 568706037 /nfs/dbraw/zinc/70/60/37/568706037.db2.gz RKVAXWFISGXVPA-HNNXBMFYSA-N 0 0 408.458 2.876 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1 ZINC000096230862 568706846 /nfs/dbraw/zinc/70/68/46/568706846.db2.gz HEZZWHDNELEDPN-HNNXBMFYSA-N 0 0 402.476 2.608 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CCCCCCC3)C2=O)cc1 ZINC000096231113 568707121 /nfs/dbraw/zinc/70/71/21/568707121.db2.gz SKBUOUDUYHBCDS-IBGZPJMESA-N 0 0 401.507 2.777 50 0 HFAARN COc1ccc(OC)c(CNC(=O)c2cccn2-c2nnc(N3CCCC3)s2)c1 ZINC000021535274 568711957 /nfs/dbraw/zinc/71/19/57/568711957.db2.gz FYYGUJGQOZUNOC-UHFFFAOYSA-N 0 0 413.503 2.876 50 0 HFAARN Cc1ccc(CCNC(=O)c2cnc3sc(N4CCC[C@@H](C)C4)nn3c2=O)cc1 ZINC000021537619 568712775 /nfs/dbraw/zinc/71/27/75/568712775.db2.gz QCYURDZEDVAXFU-OAHLLOKOSA-N 0 0 411.531 2.668 50 0 HFAARN CN1CCN(C(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccccc2Cl)CC1 ZINC000096274692 568714234 /nfs/dbraw/zinc/71/42/34/568714234.db2.gz KMNUTZJJXTVKIC-SFHVURJKSA-N 0 0 405.926 2.615 50 0 HFAARN COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C(=O)OC)c1C ZINC000229969067 568716286 /nfs/dbraw/zinc/71/62/86/568716286.db2.gz WDISHEQPWKDDNP-QWHCGFSZSA-N 0 0 415.533 2.973 50 0 HFAARN COC(=O)c1ccc(C)c(Nc2nn3c(nc4cc5c(cc4c3=O)OCO5)s2)c1 ZINC000012415942 568717933 /nfs/dbraw/zinc/71/79/33/568717933.db2.gz XKNPHVUBMIZOIQ-UHFFFAOYSA-N 0 0 410.411 2.872 50 0 HFAARN CC(=O)N1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000012419778 568719311 /nfs/dbraw/zinc/71/93/11/568719311.db2.gz DRLZDTNLZKFDOK-UHFFFAOYSA-N 0 0 411.483 2.843 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1OC ZINC000012420796 568720510 /nfs/dbraw/zinc/72/05/10/568720510.db2.gz MXEOHMXHVRRXBM-GOSISDBHSA-N 0 0 412.471 2.758 50 0 HFAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000012422686 568721178 /nfs/dbraw/zinc/72/11/78/568721178.db2.gz NYFHLZFHWHZZSW-UHFFFAOYSA-N 0 0 404.471 2.967 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(-c4ccncc4)[nH]n3)C2)cc1F ZINC000096309498 568723758 /nfs/dbraw/zinc/72/37/58/568723758.db2.gz GVTHGMCSNMRLKR-INIZCTEOSA-N 0 0 415.494 2.867 50 0 HFAARN O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)Nc1ccccc1Cl ZINC000021633781 568725218 /nfs/dbraw/zinc/72/52/18/568725218.db2.gz HOIZHHFESRQWLI-UHFFFAOYSA-N 0 0 411.886 2.870 50 0 HFAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 ZINC000000869215 568725612 /nfs/dbraw/zinc/72/56/12/568725612.db2.gz LBIWEKNNCZCCBG-HXUWFJFHSA-N 0 0 402.491 2.954 50 0 HFAARN CCCNC(=O)Cn1cnc2sc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)c2c1=O ZINC000002937409 568726878 /nfs/dbraw/zinc/72/68/78/568726878.db2.gz ZVNYKGZHBQXOJQ-GZBFAFLISA-N 0 0 418.563 2.847 50 0 HFAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1ccccc1 ZINC000021640503 568727737 /nfs/dbraw/zinc/72/77/37/568727737.db2.gz GERZFBGMHWBDKO-UHFFFAOYSA-N 0 0 405.433 2.658 50 0 HFAARN CC(C)OCCCNC(=O)CN1c2cc(-c3cn(C)c4ccccc34)nn2CCC1=O ZINC000021645558 568728110 /nfs/dbraw/zinc/72/81/10/568728110.db2.gz UBLLOJGKAYLVNU-UHFFFAOYSA-N 0 0 423.517 2.710 50 0 HFAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCc2ccco2)c2ccccc21 ZINC000021645691 568728137 /nfs/dbraw/zinc/72/81/37/568728137.db2.gz ZUOAXBBYEKOKQY-UHFFFAOYSA-N 0 0 417.469 2.730 50 0 HFAARN C[C@@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1ccc2c(c1)OCCO2 ZINC000021647609 568728232 /nfs/dbraw/zinc/72/82/32/568728232.db2.gz NJEPNAHQJLMZDF-GFCCVEGCSA-N 0 0 411.483 2.897 50 0 HFAARN COc1cccc(CNC(=O)Cn2cnc3onc(-c4ccccc4F)c3c2=O)c1 ZINC000021649976 568728867 /nfs/dbraw/zinc/72/88/67/568728867.db2.gz GFORVUFDZHHPEJ-UHFFFAOYSA-N 0 0 408.389 2.516 50 0 HFAARN CCOc1ccc(CCNC(=O)c2cnc3scc(C)n3c2=O)cc1OCC ZINC000021652740 568730283 /nfs/dbraw/zinc/73/02/83/568730283.db2.gz JDZRYASTXAUYBV-UHFFFAOYSA-N 0 0 401.488 2.834 50 0 HFAARN O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)Nc1ccccc1F ZINC000096322494 568730445 /nfs/dbraw/zinc/73/04/45/568730445.db2.gz YXVOHMFIDIDPTD-UHFFFAOYSA-N 0 0 420.379 2.728 50 0 HFAARN 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568928240 /nfs/dbraw/zinc/92/82/40/568928240.db2.gz RSOVPUSVZJNTGU-SFHVURJKSA-N 0 0 414.531 2.560 50 0 HFAARN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000012741625 568929733 /nfs/dbraw/zinc/92/97/33/568929733.db2.gz WAWDFXXMOXHYDF-HNNXBMFYSA-N 0 0 400.504 2.853 50 0 HFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(F)c(F)c1)SCC(=O)N2 ZINC000031810534 568932508 /nfs/dbraw/zinc/93/25/08/568932508.db2.gz ZOAIAUHGLBJGPK-OAHLLOKOSA-N 0 0 413.413 2.900 50 0 HFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2cc(Cl)ccn2)c1 ZINC000012746354 568932554 /nfs/dbraw/zinc/93/25/54/568932554.db2.gz WVXKZZTXXXWPPB-KRWDZBQOSA-N 0 0 403.866 2.846 50 0 HFAARN COc1ccc(CN(C)C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)c(OC)c1 ZINC000084005127 568932767 /nfs/dbraw/zinc/93/27/67/568932767.db2.gz DPBATNDTGAYXIQ-UHFFFAOYSA-N 0 0 422.485 2.749 50 0 HFAARN CC1CCN(C(=O)Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)CC1 ZINC000004035238 568935205 /nfs/dbraw/zinc/93/52/05/568935205.db2.gz CORHXMTYKYUHJX-UHFFFAOYSA-N 0 0 405.498 2.664 50 0 HFAARN COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c1OC ZINC000004036259 568935333 /nfs/dbraw/zinc/93/53/33/568935333.db2.gz LMXNMHUVOCJBSK-GOSISDBHSA-N 0 0 417.487 2.773 50 0 HFAARN CCN(CC)S(=O)(=O)c1csc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000016651930 568935735 /nfs/dbraw/zinc/93/57/35/568935735.db2.gz BLMSRYKYABPSPI-UHFFFAOYSA-N 0 0 407.561 2.741 50 0 HFAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCCOC(C)C)C(C)(C)S[C@@H]21 ZINC000004082285 568939111 /nfs/dbraw/zinc/93/91/11/568939111.db2.gz PFGGPLXKCSJHOL-XLIONFOSSA-N 0 0 422.547 2.984 50 0 biogenic HFAARN CCc1ccc([C@@H]2CN3C(=O)CN(CCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004084127 568939553 /nfs/dbraw/zinc/93/95/53/568939553.db2.gz BKMLWUBYIIEORO-DFBJGRDBSA-N 0 0 417.509 2.754 50 0 biogenic HFAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCCCN1CCCC1=O ZINC000004084364 568939765 /nfs/dbraw/zinc/93/97/65/568939765.db2.gz PDLVYPDGWKQORF-UHFFFAOYSA-N 0 0 420.465 2.968 50 0 biogenic HFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1 ZINC000004086580 568940453 /nfs/dbraw/zinc/94/04/53/568940453.db2.gz HBYAPVNQNDWDOO-UHFFFAOYSA-N 0 0 406.489 2.794 50 0 HFAARN Cc1nc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n(C)c2)cs1 ZINC000012751514 568940984 /nfs/dbraw/zinc/94/09/84/568940984.db2.gz NXEWTBXETRWDFB-LLVKDONJSA-N 0 0 412.471 2.740 50 0 HFAARN CCc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000012752832 568941531 /nfs/dbraw/zinc/94/15/31/568941531.db2.gz AWFRDHOXZAFCMR-INIZCTEOSA-N 0 0 409.486 2.850 50 0 HFAARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCOC)c12)OC(C)(C)CC3 ZINC000004089502 568941653 /nfs/dbraw/zinc/94/16/53/568941653.db2.gz KVGIXWJJYAQAJA-UHFFFAOYSA-N 0 0 403.475 2.991 50 0 biogenic HFAARN COc1ccc(C)cc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000012753742 568942075 /nfs/dbraw/zinc/94/20/75/568942075.db2.gz YWKMGHQLVMRTKF-UHFFFAOYSA-N 0 0 404.532 2.900 50 0 HFAARN COc1cccc(-n2nnc3c2ncn(Cc2ccc(Br)cc2)c3=O)c1 ZINC000004100278 568942593 /nfs/dbraw/zinc/94/25/93/568942593.db2.gz KIWACPYNWRTQSB-UHFFFAOYSA-N 0 0 412.247 2.797 50 0 aggregator HFAARN C[C@H](CCc1ccco1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012757624 568943301 /nfs/dbraw/zinc/94/33/01/568943301.db2.gz SGQUANQIQUTPBJ-CVEARBPZSA-N 0 0 408.495 2.957 50 0 HFAARN C[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000012759838 568944068 /nfs/dbraw/zinc/94/40/68/568944068.db2.gz FJVYVPJNTKAZSC-CYBMUJFWSA-N 0 0 424.469 2.756 50 0 HFAARN Cc1ccc([C@@H](CNC(=O)Cc2c(C)nn(C(F)F)c2C)N2CCOCC2)s1 ZINC000084205298 568944483 /nfs/dbraw/zinc/94/44/83/568944483.db2.gz ZZJMCLFOFHBGHP-MRXNPFEDSA-N 0 0 412.506 2.997 50 0 HFAARN COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc4c(c3)OCO4)ccc2c1 ZINC000012760573 568945019 /nfs/dbraw/zinc/94/50/19/568945019.db2.gz LETXDNRFLMSXQZ-UHFFFAOYSA-N 0 0 406.438 2.966 50 0 HFAARN CCc1nc(SCc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138948 568945879 /nfs/dbraw/zinc/94/58/79/568945879.db2.gz SDQZIDBZAJKCJL-UHFFFAOYSA-N 0 0 410.421 2.901 50 0 HFAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2cc(C)cc(C)c2)c3=O)cc1 ZINC000004139794 568946100 /nfs/dbraw/zinc/94/61/00/568946100.db2.gz VYMWPVLKKZGLGV-UHFFFAOYSA-N 0 0 402.458 2.600 50 0 HFAARN NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000012762886 568946532 /nfs/dbraw/zinc/94/65/32/568946532.db2.gz AMWUHNINAXPZOM-UHFFFAOYSA-N 0 0 422.466 2.813 50 0 HFAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000084340867 568946906 /nfs/dbraw/zinc/94/69/06/568946906.db2.gz HJNHMCNADUJZHE-QWHCGFSZSA-N 0 0 409.401 2.653 50 0 HFAARN O=C(NC[C@@H]1COCCO1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000084338492 568946944 /nfs/dbraw/zinc/94/69/44/568946944.db2.gz CLQYQSIITWRSKZ-CYBMUJFWSA-N 0 0 407.820 2.502 50 0 HFAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)NC[C@@H]4CCCO4)nn32)cc1 ZINC000004165091 568947981 /nfs/dbraw/zinc/94/79/81/568947981.db2.gz BJGXSYJDHZJLQC-INIZCTEOSA-N 0 0 413.503 2.577 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)s1 ZINC000012766497 568948565 /nfs/dbraw/zinc/94/85/65/568948565.db2.gz DQTIUJQLXQGEIK-UHFFFAOYSA-N 0 0 413.952 2.926 50 0 HFAARN O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000084549727 568951013 /nfs/dbraw/zinc/95/10/13/568951013.db2.gz GHWMMRJQEHTJPZ-HNNXBMFYSA-N 0 0 412.515 2.690 50 0 HFAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(F)c(F)c2)c(=O)[nH]c1=O ZINC000012772194 568952166 /nfs/dbraw/zinc/95/21/66/568952166.db2.gz LXXQNWIYYFQRNJ-UHFFFAOYSA-N 0 0 418.400 2.637 50 0 HFAARN O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000012773124 568952581 /nfs/dbraw/zinc/95/25/81/568952581.db2.gz RSIFGZPHVHODJO-UHFFFAOYSA-N 0 0 412.433 2.570 50 0 HFAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCc2ccccc21 ZINC000012772682 568952805 /nfs/dbraw/zinc/95/28/05/568952805.db2.gz SPICXUQTJIWTRZ-KRWDZBQOSA-N 0 0 423.332 2.921 50 0 HFAARN CC(=O)N1CCc2cc(NC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)ccc21 ZINC000012775267 568953949 /nfs/dbraw/zinc/95/39/49/568953949.db2.gz SWZZFCJEIOYAHT-UHFFFAOYSA-N 0 0 404.470 2.951 50 0 HFAARN Cc1ccc(CNC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000004250066 568954412 /nfs/dbraw/zinc/95/44/12/568954412.db2.gz FBNWSVVTGBNEEM-UHFFFAOYSA-N 0 0 405.483 2.802 50 0 HFAARN Cc1cn2c3c(nc2n1-c1ccccc1C)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000004250535 568954648 /nfs/dbraw/zinc/95/46/48/568954648.db2.gz CHZYLIMBHSHRQD-UHFFFAOYSA-N 0 0 417.444 2.943 50 0 HFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1Cl ZINC000012778258 568956004 /nfs/dbraw/zinc/95/60/04/568956004.db2.gz ISEVJEXISAQBLA-CYBMUJFWSA-N 0 0 400.859 2.700 50 0 HFAARN C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000229752890 568956839 /nfs/dbraw/zinc/95/68/39/568956839.db2.gz FHTMINSWFXHFIA-WQUFCNLUSA-N 0 0 404.459 2.683 50 0 biogenic HFAARN CCCCOc1ccc(-c2nnc(CN3CC[C@H](S(=O)(=O)NC4CC4)C3)o2)cc1 ZINC000084746706 568957841 /nfs/dbraw/zinc/95/78/41/568957841.db2.gz YQWWZKFDCQPVBA-SFHVURJKSA-N 0 0 420.535 2.572 50 0 HFAARN CCOC(=O)N1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C(N)=O)C1 ZINC000004280318 568958719 /nfs/dbraw/zinc/95/87/19/568958719.db2.gz WBEOTAAHTCDETA-UHFFFAOYSA-N 0 0 417.487 2.769 50 0 HFAARN Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000004285415 568959178 /nfs/dbraw/zinc/95/91/78/568959178.db2.gz VKEJREIZKXXSLP-KRWDZBQOSA-N 0 0 415.511 2.675 50 0 HFAARN CC(=O)c1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 ZINC000004285543 568959253 /nfs/dbraw/zinc/95/92/53/568959253.db2.gz YFNWHMWGAZIQQR-UHFFFAOYSA-N 0 0 403.456 2.543 50 0 HFAARN Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000004285649 568959268 /nfs/dbraw/zinc/95/92/68/568959268.db2.gz UZSMCXKGBQVGIH-CQSZACIVSA-N 0 0 400.456 2.700 50 0 HFAARN CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c32)CC1 ZINC000004310126 568960636 /nfs/dbraw/zinc/96/06/36/568960636.db2.gz GOXFBZGUSOTGHH-UHFFFAOYSA-N 0 0 421.881 2.822 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004314953 568961552 /nfs/dbraw/zinc/96/15/52/568961552.db2.gz GUTZAPKFZNFOQK-UHFFFAOYSA-N 0 0 412.515 2.833 50 0 HFAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc(Cl)cn1 ZINC000007982795 568963849 /nfs/dbraw/zinc/96/38/49/568963849.db2.gz MDZBNIQLTSCPIY-UHFFFAOYSA-N 0 0 404.778 2.527 50 0 HFAARN COc1ccc(NC(=O)Cn2ccn(Cc3ccc(C)cc3)c(=O)c2=O)cc1Cl ZINC000015675201 568963320 /nfs/dbraw/zinc/96/33/20/568963320.db2.gz RSOIPOQLGLCDOC-UHFFFAOYSA-N 0 0 413.861 2.667 50 0 HFAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCCCn1c2ccccc2[nH]c1=O ZINC000007979738 568963449 /nfs/dbraw/zinc/96/34/49/568963449.db2.gz VCZRIRQEVOJNTK-NRFANRHFSA-N 0 0 409.486 2.646 50 0 HFAARN COC(=O)c1ccc(COC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000007985173 568964336 /nfs/dbraw/zinc/96/43/36/568964336.db2.gz NXEDBFBPPGJMFJ-UHFFFAOYSA-N 0 0 405.472 2.502 50 0 HFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1OC ZINC000007985382 568964386 /nfs/dbraw/zinc/96/43/86/568964386.db2.gz XPAMPWDJFSCKJX-JOCHJYFZSA-N 0 0 411.458 2.726 50 0 HFAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3C)N(C)CCO4)CC2)c1 ZINC000015677375 568965147 /nfs/dbraw/zinc/96/51/47/568965147.db2.gz NLVBKVSBGQGJTJ-UHFFFAOYSA-N 0 0 415.559 2.951 50 0 HFAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCC1)N1CCN(c2ccccc2F)CC1 ZINC000015677410 568965191 /nfs/dbraw/zinc/96/51/91/568965191.db2.gz CJBRZFMDBCGDAM-UHFFFAOYSA-N 0 0 406.461 2.834 50 0 HFAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000007990270 568966775 /nfs/dbraw/zinc/96/67/75/568966775.db2.gz TVJXLZBAXPIKCX-UHFFFAOYSA-N 0 0 408.907 2.885 50 0 HFAARN COC(=O)c1ccc2c(c1)nc(CSc1nc(-c3ccccc3)cn1N)[nH]c2=O ZINC000007990703 568966992 /nfs/dbraw/zinc/96/69/92/568966992.db2.gz AHRNQGNTGWUITJ-UHFFFAOYSA-N 0 0 407.455 2.579 50 0 HFAARN COc1ccccc1NC(=O)COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000008038740 568970181 /nfs/dbraw/zinc/97/01/81/568970181.db2.gz SDQWQEVOHVOHDJ-INIZCTEOSA-N 0 0 414.458 2.630 50 0 HFAARN COC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000008065169 568971229 /nfs/dbraw/zinc/97/12/29/568971229.db2.gz FYYGTTMBSRBQBS-UHFFFAOYSA-N 0 0 411.380 2.589 50 0 HFAARN NS(=O)(=O)c1ccc(OCCOC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000008068014 568971417 /nfs/dbraw/zinc/97/14/17/568971417.db2.gz WITIFRXPERCUGF-UHFFFAOYSA-N 0 0 403.378 2.518 50 0 HFAARN CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008080336 568973067 /nfs/dbraw/zinc/97/30/67/568973067.db2.gz FMDFCGBKQWPMNR-UHFFFAOYSA-N 0 0 404.488 2.717 50 0 HFAARN Cc1nc2ncnn2c(C)c1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000008144236 568977298 /nfs/dbraw/zinc/97/72/98/568977298.db2.gz YIRBYWBRIMGBGX-UHFFFAOYSA-N 0 0 416.489 2.907 50 0 HFAARN COc1ccc(CN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)C2CC2)cc1 ZINC000008164500 568979512 /nfs/dbraw/zinc/97/95/12/568979512.db2.gz RPDDHBMBJGOLNK-UHFFFAOYSA-N 0 0 402.516 2.961 50 0 HFAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)ccc2S1 ZINC000015730381 568980908 /nfs/dbraw/zinc/98/09/08/568980908.db2.gz LIFGGLVDMUXIGM-LLVKDONJSA-N 0 0 406.485 2.717 50 0 HFAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015731551 568981555 /nfs/dbraw/zinc/98/15/55/568981555.db2.gz QKFHBFCZXIULKS-UHFFFAOYSA-N 0 0 419.934 2.842 50 0 HFAARN O=C(NCc1ccccc1Cl)c1cccn1-c1nnc(N2CCOCC2)s1 ZINC000015731292 568981822 /nfs/dbraw/zinc/98/18/22/568981822.db2.gz SNEUKNNVVKWNND-UHFFFAOYSA-N 0 0 403.895 2.749 50 0 HFAARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 ZINC000008194381 568982077 /nfs/dbraw/zinc/98/20/77/568982077.db2.gz SBQHVVKZTNPSEZ-UHFFFAOYSA-N 0 0 402.447 2.915 50 0 HFAARN C=C1C(N2CCC(C(=O)N[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000015733004 568982794 /nfs/dbraw/zinc/98/27/94/568982794.db2.gz QJWAJQJXXYIGCZ-AWEZNQCLSA-N 0 0 419.547 2.795 50 0 HFAARN Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1C ZINC000015734356 568983656 /nfs/dbraw/zinc/98/36/56/568983656.db2.gz VIAXIEAJSXITHU-UHFFFAOYSA-N 0 0 409.490 2.974 50 0 HFAARN COCCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nnc(-c2cccs2)o1 ZINC000008246941 568985142 /nfs/dbraw/zinc/98/51/42/568985142.db2.gz IPTUXZVJBFJKTO-UHFFFAOYSA-N 0 0 416.459 2.614 50 0 HFAARN Cc1ccc2nc(CSCc3nc(N)nc(Nc4ccccc4)n3)cc(=O)n2c1 ZINC000019223857 568985136 /nfs/dbraw/zinc/98/51/36/568985136.db2.gz QPZDHIKFTPUACA-UHFFFAOYSA-N 0 0 405.487 2.947 50 0 HFAARN COc1ccc(-n2c3ccccc3nc(CCC(=O)NC3=NCCS3)c2=O)cc1 ZINC000008264589 568985938 /nfs/dbraw/zinc/98/59/38/568985938.db2.gz IJHMZLHAOKYFNP-UHFFFAOYSA-N 0 0 408.483 2.546 50 0 HFAARN COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008268488 568986169 /nfs/dbraw/zinc/98/61/69/568986169.db2.gz LSDBXGBVHKEMPM-INIZCTEOSA-N 0 0 419.547 2.713 50 0 HFAARN Cc1ccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)cc1 ZINC000008274532 568986739 /nfs/dbraw/zinc/98/67/39/568986739.db2.gz DHUVZGUHLQPYSO-UHFFFAOYSA-N 0 0 401.513 2.738 50 0 HFAARN O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccccc1SCC(F)(F)F ZINC000012813129 568986907 /nfs/dbraw/zinc/98/69/07/568986907.db2.gz ISZIOGVWLQLTLP-UHFFFAOYSA-N 0 0 415.422 2.784 50 0 HFAARN Cc1cc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ncn1 ZINC000012000624 568987509 /nfs/dbraw/zinc/98/75/09/568987509.db2.gz QQZWCPOWPLRKOP-AWEZNQCLSA-N 0 0 406.533 2.689 50 0 HFAARN COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)Cc2cccc3ccccc32)c1 ZINC000008294444 568987974 /nfs/dbraw/zinc/98/79/74/568987974.db2.gz ZGQOJFZXPWADAI-UHFFFAOYSA-N 0 0 419.481 2.604 50 0 HFAARN COc1ccc(NC(=O)CN(C)C(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000008312906 568989117 /nfs/dbraw/zinc/98/91/17/568989117.db2.gz DZYAHHAEZIVHEI-UHFFFAOYSA-N 0 0 402.472 2.656 50 0 HFAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1 ZINC000008313445 568989434 /nfs/dbraw/zinc/98/94/34/568989434.db2.gz DMAORHPSLBVPTD-UHFFFAOYSA-N 0 0 415.453 2.671 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2ccc(-c3ccccc3F)o2)NC(=O)N[C@@H]1C ZINC000008313993 568989603 /nfs/dbraw/zinc/98/96/03/568989603.db2.gz ZDYKEANCFXYEOC-LLVKDONJSA-N 0 0 402.378 2.761 50 0 HFAARN CCOc1cc2c(cc1CNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)O[C@@H](C)C2 ZINC000012816623 568989904 /nfs/dbraw/zinc/98/99/04/568989904.db2.gz BGCJFWKUTWXTCX-ZDUSSCGKSA-N 0 0 418.515 2.603 50 0 HFAARN Cc1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000008316269 568990276 /nfs/dbraw/zinc/99/02/76/568990276.db2.gz LETGYWOFZROQEK-QGZVFWFLSA-N 0 0 408.483 2.926 50 0 HFAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324722 568991111 /nfs/dbraw/zinc/99/11/11/568991111.db2.gz CQFJHNHARLIIBK-GOSISDBHSA-N 0 0 408.458 2.793 50 0 HFAARN Nc1nc(CSc2nnnn2Cc2ccccc2)nc(Nc2ccc(F)cc2)n1 ZINC000008325512 568991505 /nfs/dbraw/zinc/99/15/05/568991505.db2.gz FQMHJZQTKIIVQR-UHFFFAOYSA-N 0 0 409.454 2.664 50 0 HFAARN CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1I ZINC000001467329 568991831 /nfs/dbraw/zinc/99/18/31/568991831.db2.gz XKUWZKZLXSNJQB-CYBMUJFWSA-N 0 0 410.215 2.735 50 0 HFAARN CCOC(=O)c1ccc(OC[C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000008326919 568991977 /nfs/dbraw/zinc/99/19/77/568991977.db2.gz PDODOGKAPICNMG-LJQANCHMSA-N 0 0 415.486 2.679 50 0 HFAARN O=C(CSc1ncnc2sccc21)N1CCN(C(=O)c2cccs2)CC1 ZINC000008339185 568993200 /nfs/dbraw/zinc/99/32/00/568993200.db2.gz XFGDIRCPGCBKKS-UHFFFAOYSA-N 0 0 404.542 2.830 50 0 HFAARN Cc1oc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)c2c1c(C)n[nH]c2=O ZINC000008343079 568993750 /nfs/dbraw/zinc/99/37/50/568993750.db2.gz KPSZMQYPUFVNAU-UHFFFAOYSA-N 0 0 407.329 2.530 50 0 HFAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccco3)sc2=N1 ZINC000001470289 568994394 /nfs/dbraw/zinc/99/43/94/568994394.db2.gz QZHLILSIUUZYIB-MJSCBBHESA-N 0 0 414.508 2.841 50 0 HFAARN COc1ccc(C)cc1CN(C)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000008348337 568994933 /nfs/dbraw/zinc/99/49/33/568994933.db2.gz CXEQLEGXIWXSNT-UHFFFAOYSA-N 0 0 409.486 2.519 50 0 HFAARN CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc(C2CC2)s1 ZINC000008389736 568996846 /nfs/dbraw/zinc/99/68/46/568996846.db2.gz SAZXVWGJCRATOK-IINYFYTJSA-N 0 0 419.532 2.507 50 0 HFAARN O=c1c2ccccc2n(Cc2nc(-c3ccccc3)no2)c(=O)n1Cc1ccco1 ZINC000038486481 568997041 /nfs/dbraw/zinc/99/70/41/568997041.db2.gz UHWGHFMDCKOQEG-UHFFFAOYSA-N 0 0 400.394 2.903 50 0 HFAARN CN(C(=O)COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccccc1 ZINC000006084822 568997212 /nfs/dbraw/zinc/99/72/12/568997212.db2.gz PSDBYBRDAZZUDP-UHFFFAOYSA-N 0 0 405.454 2.943 50 0 HFAARN O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006085417 568997584 /nfs/dbraw/zinc/99/75/84/568997584.db2.gz HOBKKTYJNFLFTG-OAQYLSRUSA-N 0 0 411.483 2.632 50 0 HFAARN O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)Nc1ccc(Cl)cc1 ZINC000015770590 568997667 /nfs/dbraw/zinc/99/76/67/568997667.db2.gz SSXBQYJUCUGDOQ-UHFFFAOYSA-N 0 0 411.886 2.870 50 0 HFAARN Cn1c2ccsc2c(=O)n(CC2CCC(C(=O)NCc3ccccc3)CC2)c1=O ZINC000015770559 568997718 /nfs/dbraw/zinc/99/77/18/568997718.db2.gz OIKFAGOCANJEGP-UHFFFAOYSA-N 0 0 411.527 2.885 50 0 HFAARN CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000015771573 568998024 /nfs/dbraw/zinc/99/80/24/568998024.db2.gz WEMMBXQMAGWCGB-UHFFFAOYSA-N 0 0 400.460 2.980 50 0 HFAARN O=C(CNC(=O)C(=O)NCc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008394175 568998757 /nfs/dbraw/zinc/99/87/57/568998757.db2.gz AWUQKUXMGYEGDD-QFIPXVFZSA-N 0 0 415.493 2.519 50 0 HFAARN O=C(Nc1ccccc1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000015774414 568998999 /nfs/dbraw/zinc/99/89/99/568998999.db2.gz YZBPYFBABYTADL-UHFFFAOYSA-N 0 0 424.476 2.693 50 0 HFAARN CCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC ZINC000008395168 568999151 /nfs/dbraw/zinc/99/91/51/568999151.db2.gz DCXGCDJQQQZNKT-ZDUSSCGKSA-N 0 0 400.431 2.767 50 0 HFAARN Cc1c(NC(=O)[C@@H](C)SC(=S)N2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000008394871 568999209 /nfs/dbraw/zinc/99/92/09/568999209.db2.gz ILHKYYAWKJMAFH-CQSZACIVSA-N 0 0 404.561 2.925 50 0 HFAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000008423216 569001834 /nfs/dbraw/zinc/00/18/34/569001834.db2.gz KWYULTJETXGFGD-UHFFFAOYSA-N 0 0 414.527 2.721 50 0 HFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)CC(C)(C)C)CC3)ccc1F ZINC000015780589 569002223 /nfs/dbraw/zinc/00/22/23/569002223.db2.gz FDUFXSQETVYLGD-UHFFFAOYSA-N 0 0 412.527 2.910 50 0 HFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000008428785 569002528 /nfs/dbraw/zinc/00/25/28/569002528.db2.gz GAJVYSCAEHUVFO-UHFFFAOYSA-N 0 0 406.504 2.616 50 0 HFAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1 ZINC000015781500 569002756 /nfs/dbraw/zinc/00/27/56/569002756.db2.gz HFKGMYZUTHURCK-UHFFFAOYSA-N 0 0 424.544 2.988 50 0 HFAARN COc1cc(OC)cc(C(=O)OCC(=O)NCc2cccc(Br)c2)c1 ZINC000067197632 569003179 /nfs/dbraw/zinc/00/31/79/569003179.db2.gz WLHWHQNOXPTCGK-UHFFFAOYSA-N 0 0 408.248 2.940 50 0 HFAARN CCCCN(C)C(=O)Cn1c2ccsc2c(=O)n(Cc2ccccc2OC)c1=O ZINC000067205451 569003369 /nfs/dbraw/zinc/00/33/69/569003369.db2.gz JDESTQOSNIHLHM-UHFFFAOYSA-N 0 0 415.515 2.540 50 0 HFAARN COc1cccc([C@H](CNS(=O)(=O)Cc2ccccc2Cl)N2CCOCC2)c1 ZINC000038629728 569003710 /nfs/dbraw/zinc/00/37/10/569003710.db2.gz FYIMIDNRXUOCOL-FQEVSTJZSA-N 0 0 424.950 2.842 50 0 HFAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3C)c2=O)no1 ZINC000067218614 569003870 /nfs/dbraw/zinc/00/38/70/569003870.db2.gz DUSDNXGBJXJCNG-UHFFFAOYSA-N 0 0 414.418 2.597 50 0 HFAARN O=S(=O)(c1ccc(-c2noc(/C=C/c3cccs3)n2)cc1)N1CCOCC1 ZINC000085642311 569005159 /nfs/dbraw/zinc/00/51/59/569005159.db2.gz QXOXZFSMPMYGKK-VMPITWQZSA-N 0 0 403.485 2.989 50 0 HFAARN CC(C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000085643702 569005236 /nfs/dbraw/zinc/00/52/36/569005236.db2.gz TVACARQCYXQTBO-UHFFFAOYSA-N 0 0 411.524 2.536 50 0 HFAARN Cc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1C ZINC000085645645 569005502 /nfs/dbraw/zinc/00/55/02/569005502.db2.gz CPPGOZFUWJKVCR-UHFFFAOYSA-N 0 0 415.519 2.717 50 0 HFAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787286 569007881 /nfs/dbraw/zinc/00/78/81/569007881.db2.gz OFKBVZZOPBJXBA-IBGZPJMESA-N 0 0 414.937 2.765 50 0 HFAARN CCOc1ccc(CN2CCN(Cc3ccc(OC)c(O)c3)C[C@H]2CCO)cc1 ZINC000104324745 569008321 /nfs/dbraw/zinc/00/83/21/569008321.db2.gz NWKOWRFSIXISLT-HXUWFJFHSA-N 0 0 400.519 2.868 50 0 HFAARN CC(C)c1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 ZINC000012824983 569008980 /nfs/dbraw/zinc/00/89/80/569008980.db2.gz KXYYLBOKCZGAFY-GFCCVEGCSA-N 0 0 412.512 2.840 50 0 HFAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1 ZINC000012845547 569010134 /nfs/dbraw/zinc/01/01/34/569010134.db2.gz ZQJPIGXDQQTGEH-CYBMUJFWSA-N 0 0 413.430 2.809 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000012852992 569010598 /nfs/dbraw/zinc/01/05/98/569010598.db2.gz UODCCVBTJQELFX-UHFFFAOYSA-N 0 0 416.478 2.691 50 0 HFAARN COC(=O)Cn1c(=O)c2ccccc2nc1SCc1noc(-c2ccsc2)n1 ZINC000012856587 569011141 /nfs/dbraw/zinc/01/11/41/569011141.db2.gz FPBWOXOIMXJQKN-UHFFFAOYSA-N 0 0 414.468 2.973 50 0 HFAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NCC(=O)Nc2cccc(C)c2C)c1 ZINC000012856836 569011142 /nfs/dbraw/zinc/01/11/42/569011142.db2.gz GWPVVRNBYDGDOW-UHFFFAOYSA-N 0 0 409.515 2.914 50 0 HFAARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000012858123 569011318 /nfs/dbraw/zinc/01/13/18/569011318.db2.gz ZNGTWVOUIXPCCJ-OAQYLSRUSA-N 0 0 405.454 2.688 50 0 HFAARN Cc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012860245 569011528 /nfs/dbraw/zinc/01/15/28/569011528.db2.gz VDFWTYDSIXEWNU-UHFFFAOYSA-N 0 0 416.499 2.584 50 0 HFAARN CC[C@H](C)NC(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(F)cc2)C1=O ZINC000015827034 569011579 /nfs/dbraw/zinc/01/15/79/569011579.db2.gz DRCYEOGFTGHJPY-ZDUSSCGKSA-N 0 0 405.451 2.876 50 0 HFAARN CCOc1ccc(N2C(=O)N(CC(=O)NC(C)C)c3ccccc3S2(=O)=O)cc1 ZINC000015827231 569011622 /nfs/dbraw/zinc/01/16/22/569011622.db2.gz UMOMWTYORJMQPN-UHFFFAOYSA-N 0 0 417.487 2.745 50 0 HFAARN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc(Cl)cc1 ZINC000043191162 569012867 /nfs/dbraw/zinc/01/28/67/569012867.db2.gz ZTGJOFZDWOHVRU-RDGPPVDQSA-N 0 0 407.857 2.917 50 0 HFAARN CCCNC(=O)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000006138679 569014276 /nfs/dbraw/zinc/01/42/76/569014276.db2.gz DDZUTVISLBWOIG-UHFFFAOYSA-N 0 0 400.460 2.788 50 0 HFAARN O=C1NC2(CCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000006142128 569014335 /nfs/dbraw/zinc/01/43/35/569014335.db2.gz BRLVPRVTQGZJPH-UHFFFAOYSA-N 0 0 421.302 2.957 50 0 HFAARN CC(=O)c1cccc(NC(=O)Cn2c3nc(-c4cccs4)nn3c(=O)cc2C)c1 ZINC000015858742 569014831 /nfs/dbraw/zinc/01/48/31/569014831.db2.gz OASRIBIGUQMYGW-UHFFFAOYSA-N 0 0 407.455 2.769 50 0 HFAARN CC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)c1 ZINC000015858670 569014913 /nfs/dbraw/zinc/01/49/13/569014913.db2.gz HHMTXUJXNJMEHB-UHFFFAOYSA-N 0 0 400.456 2.844 50 0 HFAARN O=C(COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)N[C@H]1CCCc2ccccc21 ZINC000006150271 569015034 /nfs/dbraw/zinc/01/50/34/569015034.db2.gz NMYKKAKOWSBCCP-IRLDBZIGSA-N 0 0 420.509 2.815 50 0 HFAARN COC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000035268994 569015735 /nfs/dbraw/zinc/01/57/35/569015735.db2.gz ZYBLZZVTUWXPKE-KGLIPLIRSA-N 0 0 403.456 2.545 50 0 HFAARN CCOc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000015866110 569016821 /nfs/dbraw/zinc/01/68/21/569016821.db2.gz WSPIDUYTLUNDQB-UHFFFAOYSA-N 0 0 403.504 2.544 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 ZINC000015881353 569018464 /nfs/dbraw/zinc/01/84/64/569018464.db2.gz RJOPCBTXIUZJNF-UHFFFAOYSA-N 0 0 403.485 2.656 50 0 HFAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)OCc1ccccc1 ZINC000015883516 569019375 /nfs/dbraw/zinc/01/93/75/569019375.db2.gz QUUSOLCSZKYHJP-UHFFFAOYSA-N 0 0 413.499 2.591 50 0 HFAARN CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000012884617 569019454 /nfs/dbraw/zinc/01/94/54/569019454.db2.gz TVAJDSUOFZXPQB-UHFFFAOYSA-N 0 0 415.515 2.908 50 0 HFAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000012888128 569019702 /nfs/dbraw/zinc/01/97/02/569019702.db2.gz NSEOLLCBFFLQHS-UHFFFAOYSA-N 0 0 417.409 2.993 50 0 HFAARN COc1cc2c(c3oc(=O)c(CC(=O)N4CCOCC4)c(C)c13)CCC(C)(C)O2 ZINC000012898376 569020459 /nfs/dbraw/zinc/02/04/59/569020459.db2.gz BBMBEBLOCBQEJG-UHFFFAOYSA-N 0 0 401.459 2.615 50 0 biogenic HFAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000012901671 569020823 /nfs/dbraw/zinc/02/08/23/569020823.db2.gz VWHVLGBGIORPJL-UHFFFAOYSA-N 0 0 418.515 2.655 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000012904702 569021095 /nfs/dbraw/zinc/02/10/95/569021095.db2.gz KKURXLZOROZKMM-UHFFFAOYSA-N 0 0 401.532 2.644 50 0 HFAARN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000012910662 569021560 /nfs/dbraw/zinc/02/15/60/569021560.db2.gz NTWWWJCBDAXQHR-QGZVFWFLSA-N 0 0 407.561 2.960 50 0 HFAARN COc1cc2c(cc1OC)CN(CN1C(=O)N[C@](C)(c3ccc(F)cc3)C1=O)CC2 ZINC000012913807 569022053 /nfs/dbraw/zinc/02/20/53/569022053.db2.gz GVJUKKCMZGMNPD-JOCHJYFZSA-N 0 0 413.449 2.626 50 0 HFAARN NC(=O)[C@H]1CC(C(=O)Nc2nc3c(s2)CCCCC3)=NN1c1ccc(F)cc1 ZINC000012915436 569022485 /nfs/dbraw/zinc/02/24/85/569022485.db2.gz HVXRWABYXSPMOQ-OAHLLOKOSA-N 0 0 401.467 2.610 50 0 HFAARN CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012922444 569023246 /nfs/dbraw/zinc/02/32/46/569023246.db2.gz NEHUYYZMZFWSNO-SFHVURJKSA-N 0 0 416.499 2.733 50 0 HFAARN O=C(NCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)NCc1ccc(F)cc1 ZINC000012922542 569023282 /nfs/dbraw/zinc/02/32/82/569023282.db2.gz NLDQVGVKOSTEIX-UHFFFAOYSA-N 0 0 418.900 2.623 50 0 HFAARN O=C(NCCCN1CCCCCC1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000012926935 569023864 /nfs/dbraw/zinc/02/38/64/569023864.db2.gz SESMBILEGHFAJW-UHFFFAOYSA-N 0 0 423.469 2.598 50 0 HFAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCCOc1ccc(C)cc1 ZINC000015940449 569023952 /nfs/dbraw/zinc/02/39/52/569023952.db2.gz RFIIYLPJQROLAK-FQEVSTJZSA-N 0 0 416.543 2.807 50 0 HFAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)C1 ZINC000015962013 569024810 /nfs/dbraw/zinc/02/48/10/569024810.db2.gz UKTGXYGKAYYDKG-LPOKXYRGSA-N 0 0 415.578 2.996 50 0 HFAARN Cc1sc2nc(CN3CCOCC3)nc(-n3nnc(-c4cccs4)n3)c2c1C ZINC000012936287 569027101 /nfs/dbraw/zinc/02/71/01/569027101.db2.gz OLCHXSXLASARIK-UHFFFAOYSA-N 0 0 413.532 2.845 50 0 HFAARN C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012936818 569027414 /nfs/dbraw/zinc/02/74/14/569027414.db2.gz WFPZEYNDVMABKC-UZLBHIALSA-N 0 0 420.469 2.782 50 0 HFAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(c2cnccn2)CC1 ZINC000026149255 569027435 /nfs/dbraw/zinc/02/74/35/569027435.db2.gz XBJCWBJJJAEGIJ-UHFFFAOYSA-N 0 0 409.412 2.587 50 0 HFAARN Cc1n[nH]cc1CNC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000575443179 569028373 /nfs/dbraw/zinc/02/83/73/569028373.db2.gz ZLUJCYVYRQDIOV-GOSISDBHSA-N 0 0 411.506 2.962 50 0 HFAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012941001 569028572 /nfs/dbraw/zinc/02/85/72/569028572.db2.gz YXZBZUVHOQBGAO-IBGZPJMESA-N 0 0 417.531 2.677 50 0 HFAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1 ZINC000012942305 569028744 /nfs/dbraw/zinc/02/87/44/569028744.db2.gz AGQHUULBIONKMP-UHFFFAOYSA-N 0 0 401.517 2.580 50 0 HFAARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000012943961 569028856 /nfs/dbraw/zinc/02/88/56/569028856.db2.gz XCHLJQWHLHVLDY-KRWDZBQOSA-N 0 0 410.861 2.984 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012945036 569028978 /nfs/dbraw/zinc/02/89/78/569028978.db2.gz ZAZZBWPCGCZREJ-GOSISDBHSA-N 0 0 416.499 2.685 50 0 HFAARN Cc1ccccc1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3O)CC2)C1=O ZINC000012944986 569028984 /nfs/dbraw/zinc/02/89/84/569028984.db2.gz IADVJRDSYQSAAH-IBGZPJMESA-N 0 0 407.470 2.683 50 0 HFAARN Cc1cc(O[C@@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)nc(C)n1 ZINC000575610269 569032359 /nfs/dbraw/zinc/03/23/59/569032359.db2.gz VBMOVMOPDCMYCG-MRXNPFEDSA-N 0 0 421.457 2.896 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)cc1 ZINC000575610547 569032419 /nfs/dbraw/zinc/03/24/19/569032419.db2.gz PPGFEEXQTUAEGM-HNNXBMFYSA-N 0 0 407.469 2.807 50 0 HFAARN COc1cccc2cc(C(=O)NC[C@](O)(c3ccccc3)C3CCOCC3)c(=O)oc21 ZINC000575610979 569032442 /nfs/dbraw/zinc/03/24/42/569032442.db2.gz CTVBEENIKXWQQP-DEOSSOPVSA-N 0 0 423.465 2.846 50 0 HFAARN Cc1cc2c(cc1NC(=O)c1cncc(Br)c1)N(C)S(=O)(=O)N2C ZINC000575611634 569032464 /nfs/dbraw/zinc/03/24/64/569032464.db2.gz HCPHVECPYSARLD-UHFFFAOYSA-N 0 0 411.281 2.536 50 0 HFAARN CCCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O ZINC000006204426 569032806 /nfs/dbraw/zinc/03/28/06/569032806.db2.gz MCLUMGNEQYFAEJ-PDGQHHTCSA-N 0 0 413.499 2.946 50 0 HFAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccsc1)n1nc(C)cc1C ZINC000575614527 569032825 /nfs/dbraw/zinc/03/28/25/569032825.db2.gz VWLMRHNQEMVYLI-SFHVURJKSA-N 0 0 412.515 2.592 50 0 HFAARN Cc1ccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1C ZINC000035375566 569034033 /nfs/dbraw/zinc/03/40/33/569034033.db2.gz VCUXCWDNIQIGHG-UHFFFAOYSA-N 0 0 417.513 2.825 50 0 HFAARN Cc1cccc(C(=O)N2CCC(N3CCN(Cc4cccc(F)c4)C(=O)C3=O)CC2)c1 ZINC000035376497 569034179 /nfs/dbraw/zinc/03/41/79/569034179.db2.gz NFRXAEHGVSZUGC-UHFFFAOYSA-N 0 0 423.488 2.610 50 0 HFAARN CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21 ZINC000035376814 569034420 /nfs/dbraw/zinc/03/44/20/569034420.db2.gz IPSAKZQCNCEUFC-UHFFFAOYSA-N 0 0 423.469 2.685 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)n3)c(=O)n2[C@H]1c1ccccc1 ZINC000006242153 569034558 /nfs/dbraw/zinc/03/45/58/569034558.db2.gz OQGVMCSPSMEEQC-ZPBCLNFZSA-N 0 0 419.506 2.502 50 0 HFAARN CCN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035400203 569035444 /nfs/dbraw/zinc/03/54/44/569035444.db2.gz LZXHPBWGYGKJHZ-OAHLLOKOSA-N 0 0 419.485 2.509 50 0 HFAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403025 569035484 /nfs/dbraw/zinc/03/54/84/569035484.db2.gz KJHQOHIYJRDITN-SFHVURJKSA-N 0 0 401.413 2.553 50 0 HFAARN CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1OC ZINC000035405690 569035869 /nfs/dbraw/zinc/03/58/69/569035869.db2.gz XPDMBEYSAZNCKI-UHFFFAOYSA-N 0 0 424.544 2.870 50 0 HFAARN Cc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)nc21 ZINC000006259926 569035911 /nfs/dbraw/zinc/03/59/11/569035911.db2.gz HJXOIXDYOOVLJG-UHFFFAOYSA-N 0 0 417.512 2.878 50 0 HFAARN COc1cc2[nH]c3c(ncn(CC(=O)NC[C@@H](C)c4ccccc4)c3=O)c2cc1OC ZINC000035423691 569036394 /nfs/dbraw/zinc/03/63/94/569036394.db2.gz BUBCPISEHUEZQU-CQSZACIVSA-N 0 0 420.469 2.815 50 0 HFAARN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NCc1ccc(Br)cc1 ZINC000035423744 569036400 /nfs/dbraw/zinc/03/64/00/569036400.db2.gz SXWWGJJPTRFLDD-UHFFFAOYSA-N 0 0 411.259 2.957 50 0 HFAARN O=C(c1cnc2sc3c(n2c1=O)CCCCC3)N1CCN(Cc2ccccc2)CC1 ZINC000035430392 569036946 /nfs/dbraw/zinc/03/69/46/569036946.db2.gz XIXSFQDRLTYQHR-UHFFFAOYSA-N 0 0 422.554 2.983 50 0 HFAARN COc1ccc(CN2CCCN(CC(=O)Nc3ccc(C)c(F)c3)S2(=O)=O)cc1 ZINC000035447217 569037357 /nfs/dbraw/zinc/03/73/57/569037357.db2.gz MIXAQEBKNGBHQQ-UHFFFAOYSA-N 0 0 421.494 2.534 50 0 HFAARN Cc1ccc(F)cc1NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O ZINC000035447212 569037364 /nfs/dbraw/zinc/03/73/64/569037364.db2.gz AFPIKENSTMVMEB-UHFFFAOYSA-N 0 0 409.458 2.664 50 0 HFAARN Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000006286092 569037527 /nfs/dbraw/zinc/03/75/27/569037527.db2.gz VLHSHFFZYSZYGM-UHFFFAOYSA-N 0 0 408.907 2.851 50 0 HFAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000575618337 569037771 /nfs/dbraw/zinc/03/77/71/569037771.db2.gz LLVCTRJFAPGUEC-CQSZACIVSA-N 0 0 424.465 2.787 50 0 HFAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000575618328 569037812 /nfs/dbraw/zinc/03/78/12/569037812.db2.gz LLVCTRJFAPGUEC-AWEZNQCLSA-N 0 0 424.465 2.787 50 0 HFAARN O=C(c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1)N1CCCCC1 ZINC000035455042 569037891 /nfs/dbraw/zinc/03/78/91/569037891.db2.gz GLOKLIDAOVTUJR-UHFFFAOYSA-N 0 0 404.492 2.537 50 0 HFAARN O=C(Cn1cnc2ncccc2c1=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575618514 569037953 /nfs/dbraw/zinc/03/79/53/569037953.db2.gz BVXKLCLMKDDTJK-UHFFFAOYSA-N 0 0 400.442 2.630 50 0 HFAARN COc1ccc(CN2C(=O)c3cc(C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000035477375 569038449 /nfs/dbraw/zinc/03/84/49/569038449.db2.gz BCXILEBBENKUTC-XMMPIXPASA-N 0 0 418.497 2.931 50 0 HFAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)N1CCCCC1 ZINC000006309613 569038600 /nfs/dbraw/zinc/03/86/00/569038600.db2.gz JCUKXDSUPRFFTE-UHFFFAOYSA-N 0 0 403.895 2.867 50 0 HFAARN COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)[nH]n1 ZINC000575620285 569038790 /nfs/dbraw/zinc/03/87/90/569038790.db2.gz PGFHQUZAWOWWFF-UHFFFAOYSA-N 0 0 404.474 2.715 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)NC[C@H](c1cc2ccccc2o1)N(C)C ZINC000575620376 569038869 /nfs/dbraw/zinc/03/88/69/569038869.db2.gz KEGMVISSCOPLMJ-CYBMUJFWSA-N 0 0 408.501 2.862 50 0 HFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCC(Oc3ccsc3)CC2)cc1 ZINC000575620471 569038888 /nfs/dbraw/zinc/03/88/88/569038888.db2.gz UMVPXTKDHRLCSE-UHFFFAOYSA-N 0 0 420.512 2.634 50 0 HFAARN O=C(NC[C@@H](OCCO)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000575621449 569039049 /nfs/dbraw/zinc/03/90/49/569039049.db2.gz OJDDYTRYTJVDKP-CYBMUJFWSA-N 0 0 402.394 2.572 50 0 HFAARN COc1ccc(CCNC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1OC ZINC000035482266 569039515 /nfs/dbraw/zinc/03/95/15/569039515.db2.gz DTMNNTUNKBUEKZ-UHFFFAOYSA-N 0 0 403.442 2.805 50 0 biogenic HFAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000035483502 569039656 /nfs/dbraw/zinc/03/96/56/569039656.db2.gz PTSMFHQLTWCSKS-UHFFFAOYSA-N 0 0 421.522 2.872 50 0 HFAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035485174 569039663 /nfs/dbraw/zinc/03/96/63/569039663.db2.gz FSSWUDMQQDPNJI-OALUTQOASA-N 0 0 409.486 2.599 50 0 biogenic HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1OC ZINC000035485154 569039666 /nfs/dbraw/zinc/03/96/66/569039666.db2.gz NYRGXQKQJYLSSV-BUVFEPMLSA-N 0 0 409.530 2.557 50 0 biogenic HFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607505 569041855 /nfs/dbraw/zinc/04/18/55/569041855.db2.gz QQEUYHJLSLBJTK-UHFFFAOYSA-N 0 0 418.379 2.760 50 0 HFAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCCn1nc(C)cc1C ZINC000012974997 569042040 /nfs/dbraw/zinc/04/20/40/569042040.db2.gz PLWXJQKVFHYNHL-SFHVURJKSA-N 0 0 418.563 2.567 50 0 HFAARN COc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)cc1 ZINC000090607987 569042171 /nfs/dbraw/zinc/04/21/71/569042171.db2.gz OPPIGBBGBGPGRH-UHFFFAOYSA-N 0 0 405.462 2.978 50 0 HFAARN CSc1ccc(N2C[C@@H](C(=O)NCCc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000012980289 569042682 /nfs/dbraw/zinc/04/26/82/569042682.db2.gz RFKUKZFTCQKXIQ-INIZCTEOSA-N 0 0 412.511 2.892 50 0 HFAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)Nc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000035534594 569043388 /nfs/dbraw/zinc/04/33/88/569043388.db2.gz QXXXZHGBYQQZHI-UHFFFAOYSA-N 0 0 420.874 2.890 50 0 HFAARN CCc1ccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(F)cc3)S2(=O)=O)cc1 ZINC000035534680 569043448 /nfs/dbraw/zinc/04/34/48/569043448.db2.gz FEMCZRDKPVRZQY-UHFFFAOYSA-N 0 0 402.447 2.930 50 0 HFAARN CCCn1c2nnc(CCC(=O)NCc3ccccc3F)n2c2ccsc2c1=O ZINC000035528279 569044016 /nfs/dbraw/zinc/04/40/16/569044016.db2.gz PCOFLPYVGCBAMW-UHFFFAOYSA-N 0 0 413.478 2.904 50 0 HFAARN CCCCn1c2nnc(CCC(=O)NCc3ccccn3)n2c2ccsc2c1=O ZINC000035528718 569044038 /nfs/dbraw/zinc/04/40/38/569044038.db2.gz NOGONFZZYKNCAW-UHFFFAOYSA-N 0 0 410.503 2.550 50 0 HFAARN COc1ccc(OCC(=O)N2CCN(c3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000035529843 569044280 /nfs/dbraw/zinc/04/42/80/569044280.db2.gz WUYVFPQNBGMFPA-UHFFFAOYSA-N 0 0 408.458 2.781 50 0 HFAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000035531416 569044390 /nfs/dbraw/zinc/04/43/90/569044390.db2.gz PJFMPEFGOWVQOY-UHFFFAOYSA-N 0 0 402.516 2.802 50 0 HFAARN COC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(N(C)C)sc21 ZINC000035532624 569044422 /nfs/dbraw/zinc/04/44/22/569044422.db2.gz MKYZXZFQSAGZSQ-UHFFFAOYSA-N 0 0 403.489 2.670 50 0 HFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c2)no1 ZINC000035557839 569044842 /nfs/dbraw/zinc/04/48/42/569044842.db2.gz PXZUDEBJKICVPB-UHFFFAOYSA-N 0 0 424.548 2.566 50 0 HFAARN O=C1CN(CCc2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 ZINC000035595109 569045495 /nfs/dbraw/zinc/04/54/95/569045495.db2.gz MXUXPIVCCMHKIK-MOPGFXCFSA-N 0 0 422.909 2.536 50 0 HFAARN CCOC(=O)CCC(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596923 569045561 /nfs/dbraw/zinc/04/55/61/569045561.db2.gz JVGFJESVQXZYMR-AWEZNQCLSA-N 0 0 401.419 2.515 50 0 HFAARN COc1ccc(C)cc1Nc1nc(C(=O)Nc2nc(CC(N)=O)cs2)cs1 ZINC000035596803 569045589 /nfs/dbraw/zinc/04/55/89/569045589.db2.gz YQJFQGXNEVODRR-UHFFFAOYSA-N 0 0 403.489 2.940 50 0 HFAARN O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)o1 ZINC000035597499 569045686 /nfs/dbraw/zinc/04/56/86/569045686.db2.gz XYUQLXJFADNGFW-NSHDSACASA-N 0 0 407.473 2.599 50 0 HFAARN COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000035588193 569046163 /nfs/dbraw/zinc/04/61/63/569046163.db2.gz SISIZDRYIXQABL-UHFFFAOYSA-N 0 0 403.504 2.845 50 0 HFAARN COc1ccc(-c2ccnc(SCC(=O)N3N=C(C)C[C@@]3(O)C(F)F)n2)cc1 ZINC000006394623 569046538 /nfs/dbraw/zinc/04/65/38/569046538.db2.gz BSNKUIPPHSFRLO-GOSISDBHSA-N 0 0 408.430 2.806 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 ZINC000012982190 569047264 /nfs/dbraw/zinc/04/72/64/569047264.db2.gz SLGFEJWLEPLGMK-GOSISDBHSA-N 0 0 408.907 2.804 50 0 HFAARN C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)c1nc(N)nc(N(C)C)n1 ZINC000012981601 569047292 /nfs/dbraw/zinc/04/72/92/569047292.db2.gz ZAXMSOPEPQWQLY-LLVKDONJSA-N 0 0 409.519 2.814 50 0 HFAARN Cc1nn(C)c2ncc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000012990091 569047589 /nfs/dbraw/zinc/04/75/89/569047589.db2.gz WESOHZDTUJUKQI-ZIAGYGMSSA-N 0 0 407.474 2.778 50 0 HFAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(Oc2cnccn2)CC1 ZINC000090678030 569047908 /nfs/dbraw/zinc/04/79/08/569047908.db2.gz RDOUSPSNIOELAX-AWEZNQCLSA-N 0 0 400.866 2.553 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)c(C)c1 ZINC000013010025 569049956 /nfs/dbraw/zinc/04/99/56/569049956.db2.gz YMXGUQMPENFHPC-UHFFFAOYSA-N 0 0 424.526 2.636 50 0 HFAARN COCCCN1C(=O)c2ccc(C(=O)OCc3cnn(-c4ccccc4)c3)cc2C1=O ZINC000013019112 569051032 /nfs/dbraw/zinc/05/10/32/569051032.db2.gz SELZEBMTEGGGJA-UHFFFAOYSA-N 0 0 419.437 2.862 50 0 HFAARN Cn1ccnc1[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000253401452 569051357 /nfs/dbraw/zinc/05/13/57/569051357.db2.gz FPNLXMIVSFGFBY-AZUAARDMSA-N 0 0 417.469 2.531 50 0 HFAARN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)CCCNC(=O)c1cnccn1 ZINC000253399839 569051442 /nfs/dbraw/zinc/05/14/42/569051442.db2.gz DIQGRSSKNAJKGA-LJQANCHMSA-N 0 0 406.490 2.627 50 0 HFAARN CC(=O)N[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCCC1 ZINC000053458723 569053135 /nfs/dbraw/zinc/05/31/35/569053135.db2.gz QENUKLFAOOXLPA-VJSYINPZSA-N 0 0 415.515 2.534 50 0 HFAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCCO2)C12CCCCC2 ZINC000049543798 569053170 /nfs/dbraw/zinc/05/31/70/569053170.db2.gz ZZQHTMSZVCPXIA-XLIONFOSSA-N 0 0 400.519 2.871 50 0 biogenic HFAARN CCN(CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)CC(=O)Nc1c(F)cccc1F ZINC000240225427 569054590 /nfs/dbraw/zinc/05/45/90/569054590.db2.gz DHSLBSSAOMTLSN-JJRVBVJISA-N 0 0 424.492 2.876 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000241124302 569054721 /nfs/dbraw/zinc/05/47/21/569054721.db2.gz JHBRDQMEVFMCGE-SEPYTNNBSA-N 0 0 423.561 2.752 50 0 HFAARN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000241586406 569054776 /nfs/dbraw/zinc/05/47/76/569054776.db2.gz OVSWOSZUUNCXRY-WBMJQRKESA-N 0 0 400.306 2.644 50 0 HFAARN CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3cc(Br)ccc3N21 ZINC000245256781 569055545 /nfs/dbraw/zinc/05/55/45/569055545.db2.gz SQIIDXZKTKKGEG-XQLPTFJDSA-N 0 0 403.276 2.537 50 0 HFAARN COc1cc(CCNC(=O)c2sc3ncn(C)c(=O)c3c2C)ccc1OC(F)F ZINC000016501703 569058272 /nfs/dbraw/zinc/05/82/72/569058272.db2.gz IDKXBBNBPINYPA-UHFFFAOYSA-N 0 0 423.441 2.886 50 0 HFAARN C[C@@H](Oc1ccc(OC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1)C(N)=O ZINC000089369104 569058883 /nfs/dbraw/zinc/05/88/83/569058883.db2.gz MYBMDFWNEYFKNJ-CYBMUJFWSA-N 0 0 403.866 2.810 50 0 HFAARN CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)C1 ZINC000054199372 569060097 /nfs/dbraw/zinc/06/00/97/569060097.db2.gz DJPMFQMGEHZUOF-WAIKUNEKSA-N 0 0 413.518 2.748 50 0 HFAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc(Cl)cc1 ZINC000054191775 569060145 /nfs/dbraw/zinc/06/01/45/569060145.db2.gz ZUVKEOMTBNFFRI-UHFFFAOYSA-N 0 0 403.910 2.727 50 0 HFAARN COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000035807267 569060816 /nfs/dbraw/zinc/06/08/16/569060816.db2.gz ZDCGAEULNLJTAZ-RTWAWAEBSA-N 0 0 409.530 2.557 50 0 HFAARN Cc1ccc(NC(=O)Cn2nc3c(N(C)C)nc4ccccc4n3c2=O)cc1Cl ZINC000064449121 569062520 /nfs/dbraw/zinc/06/25/20/569062520.db2.gz RQKKRGQGNFETNQ-UHFFFAOYSA-N 0 0 410.865 2.711 50 0 HFAARN Cc1cccc(O[C@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000006542279 569064668 /nfs/dbraw/zinc/06/46/68/569064668.db2.gz PBEZRYCIXBAUDF-GFCCVEGCSA-N 0 0 402.472 2.593 50 0 HFAARN COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000006552195 569065263 /nfs/dbraw/zinc/06/52/63/569065263.db2.gz DLUBXNVWYNTRIJ-INIZCTEOSA-N 0 0 418.515 2.848 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000007971028 569065888 /nfs/dbraw/zinc/06/58/88/569065888.db2.gz ZGEOQPLDLLKXCS-HUUCEWRRSA-N 0 0 407.463 2.981 50 0 HFAARN COc1ccc2c(c1)N1CCN(c3cnccn3)C[C@@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000035911199 569066007 /nfs/dbraw/zinc/06/60/07/569066007.db2.gz ANBSXFVQBTUWTK-PZJWPPBQSA-N 0 0 409.534 2.515 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000006561625 569066084 /nfs/dbraw/zinc/06/60/84/569066084.db2.gz QZILABMXBVOJNZ-UHFFFAOYSA-N 0 0 411.863 2.719 50 0 HFAARN CCN1C2=C(C(=O)N(CC(=O)Nc3ccc(F)cc3)C2)[C@@H](c2cccc(C)c2)NC1=O ZINC000035945393 569067031 /nfs/dbraw/zinc/06/70/31/569067031.db2.gz QDBXCKOQQDTVLB-OAQYLSRUSA-N 0 0 422.460 2.955 50 0 HFAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)c1ccncc1)C2 ZINC000064566169 569067126 /nfs/dbraw/zinc/06/71/26/569067126.db2.gz CMOBOHYYLWKMJH-UHFFFAOYSA-N 0 0 404.405 2.870 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c3cc(F)ccc3ncn2c1=O ZINC000064567684 569067376 /nfs/dbraw/zinc/06/73/76/569067376.db2.gz YVHWJNUATWZXPZ-UHFFFAOYSA-N 0 0 415.812 2.792 50 0 HFAARN O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc(Br)cc1 ZINC000064567690 569067384 /nfs/dbraw/zinc/06/73/84/569067384.db2.gz RMWHHYIBSYMORD-UHFFFAOYSA-N 0 0 416.210 2.585 50 0 HFAARN Cc1ccc2ncn3c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc3c2c1 ZINC000064567646 569067406 /nfs/dbraw/zinc/06/74/06/569067406.db2.gz JGKQKAVQZUTOPH-UHFFFAOYSA-N 0 0 412.247 2.754 50 0 HFAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)C(C)=O)cc1OC ZINC000035948392 569067516 /nfs/dbraw/zinc/06/75/16/569067516.db2.gz JWHGGBGZGMZIGJ-MRXNPFEDSA-N 0 0 401.488 2.921 50 0 HFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1 ZINC000035948127 569067665 /nfs/dbraw/zinc/06/76/65/569067665.db2.gz SVJBOEXBKYFFOI-NRFANRHFSA-N 0 0 409.486 2.786 50 0 HFAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000035949448 569067887 /nfs/dbraw/zinc/06/78/87/569067887.db2.gz IZIXNSHSKZLBCH-INIZCTEOSA-N 0 0 402.451 2.618 50 0 HFAARN Cc1c(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)sc2[nH]c(C)nc(=O)c12 ZINC000006588960 569068226 /nfs/dbraw/zinc/06/82/26/569068226.db2.gz PXUCLVLLUNKEOU-LBPRGKRZSA-N 0 0 413.499 2.896 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1N(C)S(C)(=O)=O ZINC000006590780 569068693 /nfs/dbraw/zinc/06/86/93/569068693.db2.gz IEIBHMWOHPBQAC-UHFFFAOYSA-N 0 0 412.533 2.817 50 0 HFAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000006599685 569069272 /nfs/dbraw/zinc/06/92/72/569069272.db2.gz RQYVNFHHGRVCFD-LJQANCHMSA-N 0 0 418.453 2.862 50 0 HFAARN O[C@H](c1ccccc1)[C@]1(Cn2cncn2)Oc2ccc(Br)cc2[C@H]1O ZINC000006598098 569069323 /nfs/dbraw/zinc/06/93/23/569069323.db2.gz PUFULJXDVNELAP-KURKYZTESA-N 0 0 402.248 2.639 50 0 HFAARN COc1ccccc1NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 ZINC000064593431 569069518 /nfs/dbraw/zinc/06/95/18/569069518.db2.gz UEEZNNRAXCIVDK-UHFFFAOYSA-N 0 0 407.455 2.620 50 0 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Cc1ccc(CNC(=O)Cn2nc3c(Oc4cccc(Cl)c4)nccn3c2=O)cc1 ZINC000065150896 569186110 /nfs/dbraw/zinc/18/61/10/569186110.db2.gz ZJDIVKZJJAORQI-UHFFFAOYSA-N 0 0 423.860 2.962 50 0 HFAARN O=C(Cn1nc2c(Sc3cccc(F)c3)nccn2c1=O)NC1CCCCC1 ZINC000065151109 569186322 /nfs/dbraw/zinc/18/63/22/569186322.db2.gz HVDAHOKGHRDBAL-UHFFFAOYSA-N 0 0 401.467 2.630 50 0 HFAARN CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000006942126 569186847 /nfs/dbraw/zinc/18/68/47/569186847.db2.gz RUDWCNQNTRSXCP-UEXGIBASSA-N 0 0 421.607 2.800 50 0 HFAARN Cc1c2c(nn1-c1ccc(C)cc1)c(=O)n([C@@H](C)C(=O)NCc1ccco1)nc2C ZINC000006944665 569187264 /nfs/dbraw/zinc/18/72/64/569187264.db2.gz GYSZPPBTRLLTGW-INIZCTEOSA-N 0 0 405.458 2.978 50 0 HFAARN CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccc(C)cc2)CC1 ZINC000006949173 569188340 /nfs/dbraw/zinc/18/83/40/569188340.db2.gz QOEDTNASEBLOIF-CMDGGOBGSA-N 0 0 403.504 2.609 50 0 HFAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)Cc1ccccc1Cl)[C@H](C(=O)N(C)C)C2 ZINC000065167353 569188866 /nfs/dbraw/zinc/18/88/66/569188866.db2.gz ASIYYFBEKGGFOB-FQEVSTJZSA-N 0 0 413.905 2.883 50 0 HFAARN COc1cccc(C(=O)N2Cc3cc(NC(C)=O)ccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000065167226 569188878 /nfs/dbraw/zinc/18/88/78/569188878.db2.gz ZGZNEQNSIYTJMF-QFIPXVFZSA-N 0 0 421.497 2.843 50 0 HFAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)Cc1ccccc1Cl)[C@@H](C(=O)N(C)C)C2 ZINC000065167355 569188886 /nfs/dbraw/zinc/18/88/86/569188886.db2.gz ASIYYFBEKGGFOB-HXUWFJFHSA-N 0 0 413.905 2.883 50 0 HFAARN COc1ccc(OC)c(S(=O)(=O)N2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000065169289 569189088 /nfs/dbraw/zinc/18/90/88/569189088.db2.gz FUAJLPLVASPKQN-UHFFFAOYSA-N 0 0 411.483 2.908 50 0 HFAARN O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)NCc1ccc(Cl)cc1 ZINC000065170976 569189157 /nfs/dbraw/zinc/18/91/57/569189157.db2.gz NBEWTMVZUFRISK-UHFFFAOYSA-N 0 0 411.874 2.885 50 0 HFAARN COCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006950006 569189267 /nfs/dbraw/zinc/18/92/67/569189267.db2.gz FQUUSDVPHGOHLX-UHFFFAOYSA-N 0 0 402.944 2.577 50 0 HFAARN 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/nfs/dbraw/zinc/19/32/93/569193293.db2.gz FKVHBJAYMLLGPA-UHFFFAOYSA-N 0 0 423.425 2.663 50 0 HFAARN Cc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)c(C)c1 ZINC000065200405 569193869 /nfs/dbraw/zinc/19/38/69/569193869.db2.gz ZCCONUSJKRIEIN-UHFFFAOYSA-N 0 0 400.548 2.555 50 0 HFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)ccc21 ZINC000065195455 569194241 /nfs/dbraw/zinc/19/42/41/569194241.db2.gz JQTOWCKYQTWAAS-IBGZPJMESA-N 0 0 405.498 2.963 50 0 HFAARN CCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccccc4C)CC3)c2)nc1 ZINC000065196945 569195011 /nfs/dbraw/zinc/19/50/11/569195011.db2.gz ULDOPKZEUFYENU-UHFFFAOYSA-N 0 0 418.501 2.887 50 0 HFAARN CCOC(=O)C1CCN(C(=O)c2cc3c(n2C)CCN(Cc2ccccc2)C3)CC1 ZINC000065210836 569196247 /nfs/dbraw/zinc/19/62/47/569196247.db2.gz MANWNRWSGMHZQV-UHFFFAOYSA-N 0 0 409.530 2.999 50 0 HFAARN CCOC(=O)N1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 ZINC000065216108 569197695 /nfs/dbraw/zinc/19/76/95/569197695.db2.gz KKSNJXUZWZCNQS-MRXNPFEDSA-N 0 0 414.510 2.642 50 0 HFAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(C)CC2)cc1 ZINC000007001768 569198784 /nfs/dbraw/zinc/19/87/84/569198784.db2.gz UPBWFRKHFGDHAJ-UHFFFAOYSA-N 0 0 423.469 2.847 50 0 HFAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl ZINC000007003104 569199062 /nfs/dbraw/zinc/19/90/62/569199062.db2.gz GVMGQEGFMHINFT-UHFFFAOYSA-N 0 0 408.863 2.896 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)Nc4ccccc4C)C[C@@H](C2)O3)cc1 ZINC000065225162 569199511 /nfs/dbraw/zinc/19/95/11/569199511.db2.gz SOYBVBDEIKQQBX-HDICACEKSA-N 0 0 415.515 2.609 50 0 HFAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2cnc3nccnc3c2)CC1 ZINC000065227397 569200306 /nfs/dbraw/zinc/20/03/06/569200306.db2.gz NTEYPFMNIHCGGN-UHFFFAOYSA-N 0 0 418.501 2.717 50 0 HFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)cc1 ZINC000007019258 569201879 /nfs/dbraw/zinc/20/18/79/569201879.db2.gz RYGCUAJNHQWHRC-NPMXOYFQSA-N 0 0 420.469 2.526 50 0 HFAARN CC1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1 ZINC000065235933 569202514 /nfs/dbraw/zinc/20/25/14/569202514.db2.gz QLAGJZBOXKXJJC-UHFFFAOYSA-N 0 0 404.474 2.826 50 0 HFAARN CC1CCN(Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)CC1 ZINC000065235906 569202573 /nfs/dbraw/zinc/20/25/73/569202573.db2.gz QORPHSWNIBPZPT-UHFFFAOYSA-N 0 0 422.464 2.965 50 0 HFAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1F ZINC000036579838 569202731 /nfs/dbraw/zinc/20/27/31/569202731.db2.gz QBKNAORVSQLSHK-AEFFLSMTSA-N 0 0 406.433 2.933 50 0 HFAARN COc1cccc(CNC(=O)c2cn(-c3cc(N4CCCC[C@H]4C)ncn3)cn2)c1 ZINC000065239909 569203660 /nfs/dbraw/zinc/20/36/60/569203660.db2.gz IVPCXAHSNJGUNJ-MRXNPFEDSA-N 0 0 406.490 2.980 50 0 HFAARN COc1ccc(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000036594822 569204385 /nfs/dbraw/zinc/20/43/85/569204385.db2.gz RHTSCBBZJMUIJQ-QGZVFWFLSA-N 0 0 411.458 2.790 50 0 HFAARN O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccccc1 ZINC000036593663 569204410 /nfs/dbraw/zinc/20/44/10/569204410.db2.gz DMRZDFHAKKDODL-HXUWFJFHSA-N 0 0 404.470 2.932 50 0 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/nfs/dbraw/zinc/20/96/13/569209613.db2.gz QTZZMZLIKMJFDG-KRWDZBQOSA-N 0 0 417.531 2.763 50 0 HFAARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000007042328 569210032 /nfs/dbraw/zinc/21/00/32/569210032.db2.gz FZDATWXUDXOUHA-KRWDZBQOSA-N 0 0 417.531 2.763 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259617 569210659 /nfs/dbraw/zinc/21/06/59/569210659.db2.gz WJEQSXXGJFWYKG-QGZVFWFLSA-N 0 0 420.531 2.771 50 0 biogenic HFAARN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)c(C)c1 ZINC000013131600 569211398 /nfs/dbraw/zinc/21/13/98/569211398.db2.gz KXFXGQXQYUCOQY-MRXNPFEDSA-N 0 0 419.551 2.604 50 0 HFAARN C[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)=CC2=N1 ZINC000065265477 569212522 /nfs/dbraw/zinc/21/25/22/569212522.db2.gz XGEADEOHAHNMDR-CYBMUJFWSA-N 0 0 406.412 2.841 50 0 HFAARN COc1cc2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)n(C)c2cc1OC ZINC000524731816 569212524 /nfs/dbraw/zinc/21/25/24/569212524.db2.gz 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CCc1ccc(-c2csc(NC(=O)CCC(=O)N3CCN(C(C)=O)CC3)n2)cc1 ZINC000007063240 569217095 /nfs/dbraw/zinc/21/70/95/569217095.db2.gz CDJZDAPCIZXJHZ-UHFFFAOYSA-N 0 0 414.531 2.782 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)C1 ZINC000065292338 569218198 /nfs/dbraw/zinc/21/81/98/569218198.db2.gz BCCYNKXZVQUJJZ-MRXNPFEDSA-N 0 0 424.501 2.721 50 0 HFAARN COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)cc1Cl ZINC000065292932 569218451 /nfs/dbraw/zinc/21/84/51/569218451.db2.gz QDOMQPSYADHWTG-GFCCVEGCSA-N 0 0 406.895 2.809 50 0 HFAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)NCc1ccc(F)cc1F ZINC000065295301 569218699 /nfs/dbraw/zinc/21/86/99/569218699.db2.gz VSDQFQVBKVLIQS-UHFFFAOYSA-N 0 0 400.433 2.801 50 0 HFAARN C[C@H]1CCCN(c2ccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc3n2)C1 ZINC000065307998 569220071 /nfs/dbraw/zinc/22/00/71/569220071.db2.gz VTOGPINWUZCIPI-LBPRGKRZSA-N 0 0 418.860 2.559 50 0 HFAARN Cc1ccc(Nc2ccn3c(nn(CC(=O)Nc4ccc(N(C)C)cc4)c3=O)n2)cc1 ZINC000065308086 569220086 /nfs/dbraw/zinc/22/00/86/569220086.db2.gz XILTYNXRRJIBJC-UHFFFAOYSA-N 0 0 417.473 2.648 50 0 HFAARN COC(=O)c1ccc2c(c1)nc(N1CCOCC1)n(-c1ccc(F)c(Cl)c1)c2=O ZINC000065306612 569220709 /nfs/dbraw/zinc/22/07/09/569220709.db2.gz VLTICBAESRRGEY-UHFFFAOYSA-N 0 0 417.824 2.801 50 0 HFAARN CC(=O)c1ccc(NC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@H]3C2=O)cc1 ZINC000065306946 569220811 /nfs/dbraw/zinc/22/08/11/569220811.db2.gz KLJJAZDTOCHKRK-SFHVURJKSA-N 0 0 409.417 2.618 50 0 HFAARN Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3nnc4ccccn43)C2)CC1 ZINC000065312659 569222211 /nfs/dbraw/zinc/22/22/11/569222211.db2.gz XQXSOVVEJZDRSJ-IBGZPJMESA-N 0 0 404.518 2.603 50 0 HFAARN Cc1cccc2nnc(N3CCN(C(=O)c4cccc(Br)c4)CC3)n21 ZINC000065313249 569222445 /nfs/dbraw/zinc/22/24/45/569222445.db2.gz HZTCPKOJGIJVMD-UHFFFAOYSA-N 0 0 400.280 2.763 50 0 HFAARN COc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700382 569222793 /nfs/dbraw/zinc/22/27/93/569222793.db2.gz AAGXNTKPYKSNDU-OAQYLSRUSA-N 0 0 404.532 2.827 50 0 HFAARN O=C(NCc1cccs1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314041 569223141 /nfs/dbraw/zinc/22/31/41/569223141.db2.gz DAUXJBIEPBTYAF-SFHVURJKSA-N 0 0 408.527 2.886 50 0 HFAARN Cc1sc2nc(CSc3ccc(S(=O)(=O)N(C)C)cn3)[nH]c(=O)c2c1C ZINC000007136178 569225613 /nfs/dbraw/zinc/22/56/13/569225613.db2.gz NWACURPKRSSRJV-UHFFFAOYSA-N 0 0 410.546 2.539 50 0 HFAARN CCOc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)ccc1OCC(N)=O ZINC000065331575 569225826 /nfs/dbraw/zinc/22/58/26/569225826.db2.gz CQCRKJIWNFNAIU-QGZVFWFLSA-N 0 0 420.469 2.918 50 0 HFAARN O=C1C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C(=O)N1Cc1ccccc1 ZINC000007151219 569226622 /nfs/dbraw/zinc/22/66/22/569226622.db2.gz DLPAQQUSTNKZMV-UHFFFAOYSA-N 0 0 400.818 2.992 50 0 HFAARN Cc1nc2ccccc2c(C)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000007181482 569227735 /nfs/dbraw/zinc/22/77/35/569227735.db2.gz GGVOKCKAULPSOS-UHFFFAOYSA-N 0 0 400.456 2.735 50 0 HFAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000007232899 569229598 /nfs/dbraw/zinc/22/95/98/569229598.db2.gz DEFRXEUQJRLQPB-VIFPVBQESA-N 0 0 411.407 2.553 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)ccc1C ZINC000007276181 569231778 /nfs/dbraw/zinc/23/17/78/569231778.db2.gz PUBPRMRVMFYMSK-UHFFFAOYSA-N 0 0 404.488 2.585 50 0 HFAARN COc1ccc(CN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C2CC2)cc1 ZINC000007278674 569232141 /nfs/dbraw/zinc/23/21/41/569232141.db2.gz UCULMWKMPFBSTQ-XMMPIXPASA-N 0 0 419.481 2.580 50 0 HFAARN C[C@H](NC(=O)CN1c2ccccc2[C@H](C(N)=O)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000065491771 569232249 /nfs/dbraw/zinc/23/22/49/569232249.db2.gz APOSIVRDBDRYMF-RLFYNMQTSA-N 0 0 409.486 2.503 50 0 HFAARN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)[C@H]1C ZINC000239297238 569232435 /nfs/dbraw/zinc/23/24/35/569232435.db2.gz DTQUCTWURJPBAS-HOSILWTGSA-N 0 0 422.576 2.785 50 0 aggregator HFAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc2c(c1)OCO2 ZINC000007295191 569232577 /nfs/dbraw/zinc/23/25/77/569232577.db2.gz WGSHLCBNAGCLPT-UHFFFAOYSA-N 0 0 409.438 2.727 50 0 HFAARN Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000007313193 569232827 /nfs/dbraw/zinc/23/28/27/569232827.db2.gz SZBKAMLLCSLFKV-UHFFFAOYSA-N 0 0 408.907 2.898 50 0 HFAARN C[C@@H]1CN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)C[C@@H](C)O1 ZINC000007318328 569233373 /nfs/dbraw/zinc/23/33/73/569233373.db2.gz PHBGMMWBRDXGIO-IAGOWNOFSA-N 0 0 415.563 2.591 50 0 HFAARN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(C)nc2c1nc1n2CCCCC1 ZINC000065563214 569234223 /nfs/dbraw/zinc/23/42/23/569234223.db2.gz KWTGPPQSKWBUIL-INIZCTEOSA-N 0 0 415.563 2.850 50 0 HFAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1C(=O)N1CCCC1 ZINC000037008933 569234842 /nfs/dbraw/zinc/23/48/42/569234842.db2.gz HDXOTWNZLIYJRR-UHFFFAOYSA-N 0 0 422.595 2.507 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(=O)N1CCCC1 ZINC000007361425 569235326 /nfs/dbraw/zinc/23/53/26/569235326.db2.gz WYZZBWZVVOBTKT-UHFFFAOYSA-N 0 0 417.487 2.690 50 0 HFAARN CNc1nnc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)s1 ZINC000007382920 569235844 /nfs/dbraw/zinc/23/58/44/569235844.db2.gz GMAHFLZMHGDHNC-UHFFFAOYSA-N 0 0 417.516 2.858 50 0 HFAARN Cc1cccc(N2CCN(C(=O)CN3c4ccccc4[C@H](C(N)=O)C[C@@H]3C)CC2)c1 ZINC000065606971 569237341 /nfs/dbraw/zinc/23/73/41/569237341.db2.gz GIAUJPUQBGTXDS-GHTZIAJQSA-N 0 0 406.530 2.511 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c(C)c1 ZINC000007428205 569238590 /nfs/dbraw/zinc/23/85/90/569238590.db2.gz YLTZBRQHWBNFFG-UHFFFAOYSA-N 0 0 417.512 2.965 50 0 HFAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)sc2C)cc1 ZINC000007471432 569240262 /nfs/dbraw/zinc/24/02/62/569240262.db2.gz BUMZVSKIAJVHCC-FQEVSTJZSA-N 0 0 414.487 2.786 50 0 HFAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1 ZINC000037215188 569240477 /nfs/dbraw/zinc/24/04/77/569240477.db2.gz CTWIEAAMPQWYDU-KGLIPLIRSA-N 0 0 418.515 2.905 50 0 HFAARN COc1ccc2c(c1)CCc1cc(C(=O)O[C@H](C)C(=O)N3CCNC3=O)sc1-2 ZINC000007479347 569240500 /nfs/dbraw/zinc/24/05/00/569240500.db2.gz FFZWLWCVVCSLEL-LLVKDONJSA-N 0 0 400.456 2.619 50 0 HFAARN O=C(CNC(=O)CSC(=S)N1CCCC1)Nc1ccccc1Br ZINC000007484290 569240865 /nfs/dbraw/zinc/24/08/65/569240865.db2.gz CTUMOURVBQWRHK-UHFFFAOYSA-N 0 0 416.366 2.618 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC[C@@H]3c3ncon3)cc2C[C@@H]1C ZINC000170594506 569241139 /nfs/dbraw/zinc/24/11/39/569241139.db2.gz VDMBKHSFTWDGCN-SCLBCKFNSA-N 0 0 404.492 2.673 50 0 HFAARN CC(C)(CN(C(=O)c1cccc2c1OCO2)C1CC1)NC(=O)c1cccc2c1OCO2 ZINC000170595612 569241654 /nfs/dbraw/zinc/24/16/54/569241654.db2.gz NSTVSJLZPFJCLT-UHFFFAOYSA-N 0 0 424.453 2.957 50 0 HFAARN CN(C)C(=O)N1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000170596655 569241807 /nfs/dbraw/zinc/24/18/07/569241807.db2.gz WUWHUGLFDFABRR-UHFFFAOYSA-N 0 0 410.559 2.678 50 0 HFAARN CCc1cnc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)o1 ZINC000170598396 569242417 /nfs/dbraw/zinc/24/24/17/569242417.db2.gz VIFVYEGDSGCGNV-OAHLLOKOSA-N 0 0 406.280 2.921 50 0 HFAARN Cc1nc(CO[C@@H]2CCN(C(=O)[C@H](NC(=O)Cc3ccccc3)C(C)C)C2)cs1 ZINC000170599079 569242728 /nfs/dbraw/zinc/24/27/28/569242728.db2.gz PQZGAWXUKIOWTN-TZIWHRDSSA-N 0 0 415.559 2.953 50 0 HFAARN COc1ccc(-c2nc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)cs2)cc1OC ZINC000170602674 569243755 /nfs/dbraw/zinc/24/37/55/569243755.db2.gz DYWGJFWLGLDYTD-CQSZACIVSA-N 0 0 419.547 2.745 50 0 HFAARN C[C@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C[C@H](CO)O1 ZINC000170605399 569244181 /nfs/dbraw/zinc/24/41/81/569244181.db2.gz OJCARWMCSSMDHJ-BLLLJJGKSA-N 0 0 407.264 2.858 50 0 HFAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3nnc(C(C)C)n3c1)C[C@@H]2O ZINC000170609609 569245084 /nfs/dbraw/zinc/24/50/84/569245084.db2.gz WBZNFEQSUMDQOK-HNNXBMFYSA-N 0 0 411.462 2.951 50 0 HFAARN O=C([C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CCC(OC2CCCC2)CC1 ZINC000170608082 569245217 /nfs/dbraw/zinc/24/52/17/569245217.db2.gz DSSFQLFCSHXPLI-UXHICEINSA-N 0 0 420.550 2.919 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000170611628 569245569 /nfs/dbraw/zinc/24/55/69/569245569.db2.gz VDNMTYWJCAHMSM-AEFFLSMTSA-N 0 0 402.516 2.602 50 0 HFAARN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)CC1 ZINC000170611699 569245586 /nfs/dbraw/zinc/24/55/86/569245586.db2.gz WCNBIQOMNNLGFQ-PGRDOPGGSA-N 0 0 424.607 2.574 50 0 HFAARN COC(=O)CCN(Cc1cccc(Br)c1)c1nc(C)nc(N(C)C)n1 ZINC000170611235 569245646 /nfs/dbraw/zinc/24/56/46/569245646.db2.gz QKDPHKXHPMCLLF-UHFFFAOYSA-N 0 0 408.300 2.578 50 0 HFAARN COc1cccc(-n2c3ncn(Cc4ccccc4F)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000037279818 569246300 /nfs/dbraw/zinc/24/63/00/569246300.db2.gz DEAXSCKPSKJSJJ-UHFFFAOYSA-N 0 0 420.444 2.955 50 0 HFAARN COc1ccc([C@H]2CC(c3cccc(OC)c3OC)=NN2S(C)(=O)=O)c(OC)c1 ZINC000170614234 569247026 /nfs/dbraw/zinc/24/70/26/569247026.db2.gz CHCUOMHWVIORQI-QGZVFWFLSA-N 0 0 420.487 2.832 50 0 HFAARN COc1cc(OC)cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)c1 ZINC000170615182 569247366 /nfs/dbraw/zinc/24/73/66/569247366.db2.gz CYLBKAVHUSJPFL-GOSISDBHSA-N 0 0 406.232 2.879 50 0 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569251157 /nfs/dbraw/zinc/25/11/57/569251157.db2.gz VIKJDDWUJJWSGD-UHFFFAOYSA-N 0 0 417.510 2.633 50 0 HFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000009883431 569251394 /nfs/dbraw/zinc/25/13/94/569251394.db2.gz JOIADVXRVIWEOC-UHFFFAOYSA-N 0 0 414.393 2.730 50 0 HFAARN O=C1C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(=O)N1Cc1cccs1 ZINC000009883699 569251487 /nfs/dbraw/zinc/25/14/87/569251487.db2.gz DDVXAJUZGYPCLI-UHFFFAOYSA-N 0 0 402.819 2.943 50 0 HFAARN CCOC(=O)C[C@H](c1cccc(OC)c1OC(C)C)c1oc(CO)cc(=O)c1O ZINC000071283907 569251940 /nfs/dbraw/zinc/25/19/40/569251940.db2.gz JXLNLGRZSGBCNV-OAHLLOKOSA-N 0 0 406.431 2.719 50 0 HFAARN CCOC(=O)C[C@@H](c1ccc(Br)s1)c1oc(CO)cc(=O)c1O ZINC000071287397 569252405 /nfs/dbraw/zinc/25/24/05/569252405.db2.gz BGGZFJHSMAZWBA-VIFPVBQESA-N 0 0 403.250 2.747 50 0 HFAARN O=S(=O)(c1ccccc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000010119285 569253233 /nfs/dbraw/zinc/25/32/33/569253233.db2.gz LQTCRWUKNKXVTE-UHFFFAOYSA-N 0 0 406.529 2.613 50 0 HFAARN 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/nfs/dbraw/zinc/31/91/09/569319109.db2.gz CQPPBEGREBYIDO-UHFFFAOYSA-N 0 0 413.414 2.601 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252673949 569319505 /nfs/dbraw/zinc/31/95/05/569319505.db2.gz RPXBSJPRJBGCSU-GOSISDBHSA-N 0 0 412.442 2.530 50 0 HFAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 ZINC000004128489 569321827 /nfs/dbraw/zinc/32/18/27/569321827.db2.gz WEIRFGIBVMAZJM-XMSQKQJNSA-N 0 0 403.523 2.614 50 0 HFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1 ZINC000002279954 569327943 /nfs/dbraw/zinc/32/79/43/569327943.db2.gz QAGVAIPAECKKFC-UHFFFAOYSA-N 0 0 419.453 2.697 50 0 HFAARN CCN(CC)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 ZINC000011785691 569357018 /nfs/dbraw/zinc/35/70/18/569357018.db2.gz IROFMTIUASKAKV-SFHVURJKSA-N 0 0 420.513 2.963 50 0 HFAARN COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2n(C)c1=O ZINC000253407070 569366098 /nfs/dbraw/zinc/36/60/98/569366098.db2.gz JMYJIBYHWQWWAM-AWEZNQCLSA-N 0 0 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C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1nnc(-c2ccccc2)o1 ZINC000007931665 569383714 /nfs/dbraw/zinc/38/37/14/569383714.db2.gz SKGXIXDWFUTOHR-JTQLQIEISA-N 0 0 407.835 2.955 50 0 HFAARN CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NCc1ccccc1Cl ZINC000007938783 569385099 /nfs/dbraw/zinc/38/50/99/569385099.db2.gz WMTNPEZRUFAOCD-UHFFFAOYSA-N 0 0 420.918 2.994 50 0 HFAARN CCN(Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC)Cc1ccncc1 ZINC000055071477 569385724 /nfs/dbraw/zinc/38/57/24/569385724.db2.gz HFVQDNJOBSPNQG-UHFFFAOYSA-N 0 0 408.568 2.766 50 0 HFAARN Cc1n[nH]c(C)c1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252497133 569387642 /nfs/dbraw/zinc/38/76/42/569387642.db2.gz PZTPULAMKOUSOV-SFHVURJKSA-N 0 0 405.458 2.906 50 0 HFAARN COC(=O)c1cc(NCCC(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC000055103810 569388669 /nfs/dbraw/zinc/38/86/69/569388669.db2.gz PYJBXWCATHOGPE-UHFFFAOYSA-N 0 0 401.415 2.962 50 0 HFAARN COC(=O)c1cn(-c2cccc([C@H](O)c3ccc(OC)cc3)c2)cc2c(=O)[nH]nc1-2 ZINC000253412195 569389044 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/nfs/dbraw/zinc/41/50/12/569415012.db2.gz WPBOBYHUIPRNLZ-UHFFFAOYSA-N 0 0 402.248 2.576 50 0 HFAARN O=C([C@H]1CCc2cccc(O)c21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000328595875 569415971 /nfs/dbraw/zinc/41/59/71/569415971.db2.gz IBYMVNRJMJPYNE-HNNXBMFYSA-N 0 0 420.918 2.609 50 0 HFAARN COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000078714375 569419762 /nfs/dbraw/zinc/41/97/62/569419762.db2.gz RKVYNHXLXXGJEN-LBPRGKRZSA-N 0 0 400.850 2.748 50 0 HFAARN CCn1c(=O)[nH]c2cc(C(=O)N3C[C@H](c4cc(C)ccc4C)OC[C@@H]3C)ccc2c1=O ZINC000078877691 569421149 /nfs/dbraw/zinc/42/11/49/569421149.db2.gz QCCJQHDMJZVMOF-HRAATJIYSA-N 0 0 421.497 2.929 50 0 HFAARN Cc1[nH]nc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2 ZINC000078947555 569421951 /nfs/dbraw/zinc/42/19/51/569421951.db2.gz UPZIRAQEOVYRTQ-HXUWFJFHSA-N 0 0 420.469 2.953 50 0 HFAARN COC(=O)CCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc(F)c1 ZINC000078969694 569422453 /nfs/dbraw/zinc/42/24/53/569422453.db2.gz LLUUSUDGVIRLEM-UHFFFAOYSA-N 0 0 413.449 2.961 50 0 HFAARN CCCCOc1ccc(C(=O)NCC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1 ZINC000078993901 569423205 /nfs/dbraw/zinc/42/32/05/569423205.db2.gz KFWGNPGNRVGQPP-UHFFFAOYSA-N 0 0 407.470 2.753 50 0 HFAARN COc1ccc2c(c1OC)C(=O)N1c3ccc(Cl)cc3-c3nc(=O)c(C)nn3[C@H]21 ZINC000079000454 569423448 /nfs/dbraw/zinc/42/34/48/569423448.db2.gz AOTPCTAVYLUOKL-LJQANCHMSA-N 0 0 410.817 2.805 50 0 HFAARN COC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000079013511 569423652 /nfs/dbraw/zinc/42/36/52/569423652.db2.gz LZCCVGPOSFJDKH-KRWDZBQOSA-N 0 0 404.488 2.747 50 0 HFAARN COc1ccc(CN(C)C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000079015010 569423783 /nfs/dbraw/zinc/42/37/83/569423783.db2.gz KVNBVJIVGDZDBL-INIZCTEOSA-N 0 0 418.519 2.793 50 0 HFAARN CCN(C(=O)c1ccc(I)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000079041772 569425052 /nfs/dbraw/zinc/42/50/52/569425052.db2.gz VLJZSPHDYLPTTA-NSHDSACASA-N 0 0 409.289 2.577 50 0 HFAARN COC(=O)[C@H](C)[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 ZINC000079046141 569425161 /nfs/dbraw/zinc/42/51/61/569425161.db2.gz YBTUATCRSRXGFC-OXQOHEQNSA-N 0 0 420.469 2.964 50 0 HFAARN C[C@H](Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1(N2CCOCC2)CCCC1 ZINC000079099179 569427387 /nfs/dbraw/zinc/42/73/87/569427387.db2.gz AXPSCTQIBOZAPJ-INIZCTEOSA-N 0 0 408.506 2.554 50 0 HFAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)oc1c2C ZINC000079192734 569429274 /nfs/dbraw/zinc/42/92/74/569429274.db2.gz AMVVBGZZGICQKB-CQSZACIVSA-N 0 0 417.483 2.700 50 0 biogenic HFAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccc(-n2cnnn2)c1 ZINC000079473387 569431388 /nfs/dbraw/zinc/43/13/88/569431388.db2.gz YGFVGRTXAFVBHR-UHFFFAOYSA-N 0 0 403.446 2.571 50 0 HFAARN CC(C)c1cc(-c2nnc3sc(-c4c(Br)cnn4C)nn32)n(C)n1 ZINC000079489705 569432322 /nfs/dbraw/zinc/43/23/22/569432322.db2.gz BXGCOBJZALRTMF-UHFFFAOYSA-N 0 0 407.301 2.873 50 0 HFAARN CC(C)[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nc3c(s2)CCCC3)C1=O ZINC000079492006 569432508 /nfs/dbraw/zinc/43/25/08/569432508.db2.gz CDFKLCUKSYUETO-SFHVURJKSA-N 0 0 412.515 2.762 50 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CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1cnn(C)c1 ZINC000032604173 523227623 /nfs/dbraw/zinc/22/76/23/523227623.db2.gz PQYQZCWNFVIUEL-UHFFFAOYSA-N 0 0 414.491 2.591 50 0 HFAARN COc1ccc(-n2c(CN3CCC(NS(C)(=O)=O)CC3)nc3ccccc32)cc1 ZINC000040057127 523316095 /nfs/dbraw/zinc/31/60/95/523316095.db2.gz PTNPAQYDQYBXLS-UHFFFAOYSA-N 0 0 414.531 2.548 50 0 HFAARN CN(Cc1ccccc1)C(=O)CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21 ZINC000045938887 523328893 /nfs/dbraw/zinc/32/88/93/523328893.db2.gz FCMKVOOXBHGEOW-UHFFFAOYSA-N 0 0 411.512 2.897 50 0 HFAARN CC[C@]1(C)Cc2nc3sc4c(ncn(CC(=O)N5CCCC5)c4=O)c3cc2CO1 ZINC000032095911 523601223 /nfs/dbraw/zinc/60/12/23/523601223.db2.gz WWJUYQKYYBKSFM-OAQYLSRUSA-N 0 0 412.515 2.870 50 0 HFAARN CCc1c(C(N)=O)cnn1-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000032915869 523707696 /nfs/dbraw/zinc/70/76/96/523707696.db2.gz LPNCKKRRBBQDSJ-UHFFFAOYSA-N 0 0 406.414 2.613 50 0 HFAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000032860344 523792808 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419.503 2.531 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000036051263 558797213 /nfs/dbraw/zinc/79/72/13/558797213.db2.gz PQLCPIHFIZCBHS-UHFFFAOYSA-N 0 0 421.950 2.902 50 0 HFAARN CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)C1 ZINC000072311906 558797765 /nfs/dbraw/zinc/79/77/65/558797765.db2.gz WONBCQPOGBGCQY-KRWDZBQOSA-N 0 0 418.490 2.757 50 0 HFAARN CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCOCC1 ZINC000016649317 558797779 /nfs/dbraw/zinc/79/77/79/558797779.db2.gz RFAGFRKTKPZYGK-UHFFFAOYSA-N 0 0 420.556 2.702 50 0 HFAARN O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000036357815 558799467 /nfs/dbraw/zinc/79/94/67/558799467.db2.gz SNWJRHUOONYMSS-UHFFFAOYSA-N 0 0 405.454 2.927 50 0 HFAARN COc1cc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c2cc1OC ZINC000036646419 558800853 /nfs/dbraw/zinc/80/08/53/558800853.db2.gz LBAKPELGIBAYEC-UHFFFAOYSA-N 0 0 401.444 2.717 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)C2=COCCO2)c1 ZINC000032976260 558803278 /nfs/dbraw/zinc/80/32/78/558803278.db2.gz OVKGDTVRNRCJBH-UHFFFAOYSA-N 0 0 418.471 2.737 50 0 HFAARN CCOc1cccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)c1 ZINC000016742065 558803992 /nfs/dbraw/zinc/80/39/92/558803992.db2.gz OVHQISHLWBJUFG-PBXDPIQXSA-N 0 0 407.451 2.610 50 0 HFAARN O=C(c1ccc2c(c1)NC(=O)CS2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000032983136 558804169 /nfs/dbraw/zinc/80/41/69/558804169.db2.gz YYKLNNAYNGGRTR-INIZCTEOSA-N 0 0 416.524 2.560 50 0 HFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccc(C)o3)s2)cc1 ZINC000032987391 558807212 /nfs/dbraw/zinc/80/72/12/558807212.db2.gz IFPLVLOXGGYVTR-UHFFFAOYSA-N 0 0 416.459 2.533 50 0 HFAARN O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1ccc(F)cc1 ZINC000032987601 558807516 /nfs/dbraw/zinc/80/75/16/558807516.db2.gz QASAJZFDZJNPNB-UHFFFAOYSA-N 0 0 418.425 2.902 50 0 HFAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000032987862 558807764 /nfs/dbraw/zinc/80/77/64/558807764.db2.gz SCXYKPMBDLDUMK-MRXNPFEDSA-N 0 0 422.938 2.805 50 0 HFAARN CC[C@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(C)on1 ZINC000016815646 558807816 /nfs/dbraw/zinc/80/78/16/558807816.db2.gz WRIUWTNJUKRPFC-ATFGOMPUSA-N 0 0 417.506 2.966 50 0 HFAARN COc1ccc(OC)c(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)c1 ZINC000016944497 558809703 /nfs/dbraw/zinc/80/97/03/558809703.db2.gz ZBMXGKGWTCLTAV-UHFFFAOYSA-N 0 0 406.446 2.981 50 0 HFAARN C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 ZINC000017028363 558812178 /nfs/dbraw/zinc/81/21/78/558812178.db2.gz ZCGAAJZZWYCMKO-AVRDEDQJSA-N 0 0 408.433 2.612 50 0 HFAARN CS(=O)(=O)N1CC[C@H](C(=O)N2CCc3ccccc3C2)Oc2ccc(Cl)cc21 ZINC000038835955 558817968 /nfs/dbraw/zinc/81/79/68/558817968.db2.gz JGQQVUCGVUEDFB-LJQANCHMSA-N 0 0 420.918 2.842 50 0 HFAARN COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)c2C)cc1 ZINC000039461499 558821491 /nfs/dbraw/zinc/82/14/91/558821491.db2.gz YQKFDBYBTLCKIT-LBPRGKRZSA-N 0 0 403.508 2.579 50 0 HFAARN O=C(NCc1ccccc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325343 558827991 /nfs/dbraw/zinc/82/79/91/558827991.db2.gz CVRDRAIIMNJCSY-OAHLLOKOSA-N 0 0 401.513 2.901 50 0 HFAARN NC(=O)NC(=O)COC(=O)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000010635732 558833198 /nfs/dbraw/zinc/83/31/98/558833198.db2.gz GTWZQDJJACXSRY-UHFFFAOYSA-N 0 0 402.403 2.971 50 0 HFAARN Cc1ccc2cc(-c3noc(CCCC(=O)NCc4cccnc4)n3)c(=O)[nH]c2c1 ZINC000033013699 558833412 /nfs/dbraw/zinc/83/34/12/558833412.db2.gz QMWWPBIPTLEROC-UHFFFAOYSA-N 0 0 403.442 2.921 50 0 HFAARN CCOc1cc2[nH]c(=O)n(CCCCCC(=O)N[C@@H](C)CC)c(=O)c2cc1OCC ZINC000004598157 558834139 /nfs/dbraw/zinc/83/41/39/558834139.db2.gz VLEJKJPTVFVDMU-HNNXBMFYSA-N 0 0 419.522 2.962 50 0 HFAARN CC(C)(C)OC(=O)NCC1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1 ZINC000060319808 558834557 /nfs/dbraw/zinc/83/45/57/558834557.db2.gz IRGSNUIOPKJVSY-UHFFFAOYSA-N 0 0 414.506 2.550 50 0 HFAARN COc1ccc(-c2nc(SCC(=O)N3CCN(c4ccccc4)CC3)n[nH]2)cc1 ZINC000018254782 558835101 /nfs/dbraw/zinc/83/51/01/558835101.db2.gz ZUYCCYVAPPVOCF-UHFFFAOYSA-N 0 0 409.515 2.921 50 0 HFAARN O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(F)c1 ZINC000018271296 558835139 /nfs/dbraw/zinc/83/51/39/558835139.db2.gz DZDMTDNGEVRJIH-KRWDZBQOSA-N 0 0 410.474 2.890 50 0 HFAARN O=C(CNc1cccc2c1C[C@H](O)C2)Nc1ccccc1I ZINC000072313904 558841229 /nfs/dbraw/zinc/84/12/29/558841229.db2.gz ABFWURQWBAXWHW-GFCCVEGCSA-N 0 0 408.239 2.801 50 0 HFAARN COc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000004603305 558846556 /nfs/dbraw/zinc/84/65/56/558846556.db2.gz LDWSLDCASRGNIJ-UHFFFAOYSA-N 0 0 422.572 2.819 50 0 HFAARN O=C(Nc1ccc(F)cc1)C1=C(NC[C@@H]2CCCO2)c2ccccc2S1(=O)=O ZINC000033026543 558847846 /nfs/dbraw/zinc/84/78/46/558847846.db2.gz SJTWIMBVRAWDSF-HNNXBMFYSA-N 0 0 402.447 2.689 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)ccc3OC)n2)c(F)c1 ZINC000049550956 558850180 /nfs/dbraw/zinc/85/01/80/558850180.db2.gz QFXBUIVYBDXRMT-UHFFFAOYSA-N 0 0 413.405 2.714 50 0 HFAARN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000060348023 558859321 /nfs/dbraw/zinc/85/93/21/558859321.db2.gz WCSVZQPSDNSIKF-IUODEOHRSA-N 0 0 409.939 2.509 50 0 HFAARN Cc1nn(C(C)C)c(C)c1NC(=O)CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000072325176 558861849 /nfs/dbraw/zinc/86/18/49/558861849.db2.gz KGFBIMMBWPBAQZ-SFHVURJKSA-N 0 0 409.490 2.671 50 0 biogenic HFAARN Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000019289287 558862109 /nfs/dbraw/zinc/86/21/09/558862109.db2.gz LPINZTRNPHDIRX-UHFFFAOYSA-N 0 0 416.334 2.685 50 0 HFAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(Cc2ccc3c(c2)OCO3)C1=S ZINC000004616965 558863379 /nfs/dbraw/zinc/86/33/79/558863379.db2.gz NSUZFGYUICHXCM-MRXNPFEDSA-N 0 0 411.483 2.762 50 0 HFAARN CC(C)c1ccc(S(=O)(=O)n2cc3c(n2)n(C(C)C)c(=O)n(C(C)C)c3=O)cc1 ZINC000033038412 558863655 /nfs/dbraw/zinc/86/36/55/558863655.db2.gz QRCABMHLCWCCDD-UHFFFAOYSA-N 0 0 418.519 2.882 50 0 HFAARN COc1ccccc1C(=O)NCCC(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000019295416 558865871 /nfs/dbraw/zinc/86/58/71/558865871.db2.gz XMOMNEXWQVCROH-UHFFFAOYSA-N 0 0 419.485 2.631 50 0 HFAARN Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011146251 558866988 /nfs/dbraw/zinc/86/69/88/558866988.db2.gz YYLFHSKEXWRKSL-UHFFFAOYSA-N 0 0 418.457 2.835 50 0 HFAARN Cc1cccnc1CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000055036126 558870238 /nfs/dbraw/zinc/87/02/38/558870238.db2.gz FSVFJRJTVUPPHQ-MOPGFXCFSA-N 0 0 400.567 2.755 50 0 HFAARN O=C(NCCc1cscn1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000055109263 558873068 /nfs/dbraw/zinc/87/30/68/558873068.db2.gz LATGNSXNHJIJOR-UHFFFAOYSA-N 0 0 415.494 2.565 50 0 HFAARN COCCn1c(CN(C)[C@H](C)c2ccccc2OC)cnc1S(=O)(=O)CC1CC1 ZINC000055182952 558875296 /nfs/dbraw/zinc/87/52/96/558875296.db2.gz IGWCKBYKRHUMQY-MRXNPFEDSA-N 0 0 421.563 2.915 50 0 HFAARN c1ccc2c(c1)COC(CN1CCN(CC3OCc4ccccc4CO3)CC1)OC2 ZINC000019358922 558875905 /nfs/dbraw/zinc/87/59/05/558875905.db2.gz HBRWENCAPJITJS-UHFFFAOYSA-N 0 0 410.514 2.750 50 0 HFAARN COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000033122560 558879132 /nfs/dbraw/zinc/87/91/32/558879132.db2.gz RNUARYBVTCJULN-UHFFFAOYSA-N 0 0 407.467 2.809 50 0 HFAARN COc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)cc(OC)c1OC ZINC000033122740 558879381 /nfs/dbraw/zinc/87/93/81/558879381.db2.gz SHLNDGOETBCCAX-UHFFFAOYSA-N 0 0 405.432 2.801 50 0 HFAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccc(OC)cc1 ZINC000033124598 558880451 /nfs/dbraw/zinc/88/04/51/558880451.db2.gz IIJRNRJNTPNLDT-IBGZPJMESA-N 0 0 411.433 2.854 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000055378633 558880704 /nfs/dbraw/zinc/88/07/04/558880704.db2.gz DQEDIZYMZAAKKR-GOSISDBHSA-N 0 0 415.559 2.973 50 0 HFAARN O=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)c1cc(F)ccc1F ZINC000013799440 558883363 /nfs/dbraw/zinc/88/33/63/558883363.db2.gz KQPGIRHPSGUXOF-UHFFFAOYSA-N 0 0 423.416 2.696 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2Br)s1 ZINC000011225082 558891769 /nfs/dbraw/zinc/89/17/69/558891769.db2.gz KLTKNDUCVLNFOZ-UHFFFAOYSA-N 0 0 403.323 2.691 50 0 HFAARN COc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c(OC)c1 ZINC000072333876 558892423 /nfs/dbraw/zinc/89/24/23/558892423.db2.gz RSIRVMFYQRSESL-UHFFFAOYSA-N 0 0 408.248 2.940 50 0 HFAARN O=C(CN1CCS(=O)(=O)CC1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000058003460 558894041 /nfs/dbraw/zinc/89/40/41/558894041.db2.gz FIMAGEZYIUMFAX-UHFFFAOYSA-N 0 0 417.575 2.736 50 0 HFAARN C[C@H]1NC(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)=NN(c2ccccc2)C1=O ZINC000058049923 558896651 /nfs/dbraw/zinc/89/66/51/558896651.db2.gz WWOJHGHYMJZLNZ-CQSZACIVSA-N 0 0 402.458 2.578 50 0 HFAARN Cn1c2ccc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)cc2sc1=O ZINC000004690281 558899817 /nfs/dbraw/zinc/89/98/17/558899817.db2.gz ZRUUFOOLXAXCFA-UHFFFAOYSA-N 0 0 422.572 2.864 50 0 HFAARN CC(C)[C@H](NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000058130560 558900425 /nfs/dbraw/zinc/90/04/25/558900425.db2.gz OQOXIOGJCWYMDS-SFHVURJKSA-N 0 0 402.520 2.778 50 0 HFAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCc4cccs4)n3)n2)cc1 ZINC000033170050 558903305 /nfs/dbraw/zinc/90/33/05/558903305.db2.gz IOLWUTWQNQQSRF-UHFFFAOYSA-N 0 0 407.455 2.642 50 0 HFAARN O=C(Cn1c2ccccc2cc(S(=O)(=O)c2ccccc2)c1=O)NC1CCCC1 ZINC000033170713 558903714 /nfs/dbraw/zinc/90/37/14/558903714.db2.gz VASMQJQIJRNTFY-UHFFFAOYSA-N 0 0 410.495 2.893 50 0 HFAARN COc1ccc2cc([C@@H]3CN(S(=O)(=O)c4cn(C)c(C)n4)CCO3)ccc2c1 ZINC000071589505 558905723 /nfs/dbraw/zinc/90/57/23/558905723.db2.gz RVWWWJUZAFDVHA-IBGZPJMESA-N 0 0 401.488 2.653 50 0 HFAARN CCn1c2ccccc2nc1SCC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000058162669 558906348 /nfs/dbraw/zinc/90/63/48/558906348.db2.gz XGENHTYYWNLTMR-HNNXBMFYSA-N 0 0 414.506 2.748 50 0 HFAARN COc1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000058164019 558906582 /nfs/dbraw/zinc/90/65/82/558906582.db2.gz RPCQUXHEFHJQEM-UHFFFAOYSA-N 0 0 417.937 2.838 50 0 HFAARN Cc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)c(C)n1Cc1ccco1 ZINC000058182912 558910464 /nfs/dbraw/zinc/91/04/64/558910464.db2.gz RHQPLSCLTUNXCD-SFHVURJKSA-N 0 0 421.563 2.926 50 0 HFAARN O=C(Nc1ccccc1)C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000058193964 558910699 /nfs/dbraw/zinc/91/06/99/558910699.db2.gz YPRRALWUAXZLPB-IBGZPJMESA-N 0 0 412.534 2.792 50 0 HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000004704330 558913667 /nfs/dbraw/zinc/91/36/67/558913667.db2.gz YBDUXXTYLWNQBU-GHTZIAJQSA-N 0 0 410.514 2.805 50 0 HFAARN COc1cccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n23)c1OC ZINC000004708467 558914096 /nfs/dbraw/zinc/91/40/96/558914096.db2.gz KTDWVQNSQKWLKC-CYBMUJFWSA-N 0 0 404.426 2.678 50 0 HFAARN COc1ccc(-n2c(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)nc3ccccc32)cc1 ZINC000058340315 558920372 /nfs/dbraw/zinc/92/03/72/558920372.db2.gz UMHOZYMXMKQKJI-QFIPXVFZSA-N 0 0 420.513 2.857 50 0 HFAARN CCCCCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H](C)CCC ZINC000058434756 558926899 /nfs/dbraw/zinc/92/68/99/558926899.db2.gz YXKIZFYBJJPEIN-QGZVFWFLSA-N 0 0 423.579 2.628 50 0 HFAARN Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)CC(C)C)C2)c(Cl)cc1Cl ZINC000096380274 558928617 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568628351 /nfs/dbraw/zinc/62/83/51/568628351.db2.gz IERSOUDQTBQSEV-UHFFFAOYSA-N 0 0 404.474 2.728 50 0 HFAARN CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)CC1 ZINC000020533047 568629224 /nfs/dbraw/zinc/62/92/24/568629224.db2.gz IFWHGEKQMXXVML-QGZVFWFLSA-N 0 0 413.971 2.645 50 0 HFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000095477680 568631135 /nfs/dbraw/zinc/63/11/35/568631135.db2.gz AOUXOXCUJZMQPB-UHFFFAOYSA-N 0 0 408.458 2.514 50 0 HFAARN COc1ccccc1-c1n[nH]c(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)n1 ZINC000095478333 568631797 /nfs/dbraw/zinc/63/17/97/568631797.db2.gz LDDPFAANHZNFIV-SFHVURJKSA-N 0 0 419.485 2.911 50 0 HFAARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)C2)n1 ZINC000095478822 568631866 /nfs/dbraw/zinc/63/18/66/568631866.db2.gz MMCFYBYMXAHWQP-QGZVFWFLSA-N 0 0 417.554 2.826 50 0 HFAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000095479259 568632379 /nfs/dbraw/zinc/63/23/79/568632379.db2.gz 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CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 ZINC000020677284 568639805 /nfs/dbraw/zinc/63/98/05/568639805.db2.gz RBAMDKHOXJTYIG-UHFFFAOYSA-N 0 0 405.502 2.880 50 0 HFAARN Cc1nnc(Sc2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)s1 ZINC000020725560 568640726 /nfs/dbraw/zinc/64/07/26/568640726.db2.gz PDSLAMAJCHWOQI-UHFFFAOYSA-N 0 0 415.544 2.608 50 0 HFAARN Cc1cc(C)cc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020758946 568641714 /nfs/dbraw/zinc/64/17/14/568641714.db2.gz UWBZOTIAJMWTEI-NRFANRHFSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1 ZINC000020757781 568641948 /nfs/dbraw/zinc/64/19/48/568641948.db2.gz RHUQIKXMOFCGGY-UHFFFAOYSA-N 0 0 408.502 2.795 50 0 HFAARN CC1CCN(C(=O)C2CCN(C(=O)N3CC(=O)Nc4c(F)cccc43)CC2)CC1 ZINC000225504123 568644176 /nfs/dbraw/zinc/64/41/76/568644176.db2.gz HOFWZSQIVHJMPJ-UHFFFAOYSA-N 0 0 402.470 2.675 50 0 HFAARN COCCCNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C)cc1 ZINC000020848841 568644775 /nfs/dbraw/zinc/64/47/75/568644775.db2.gz MMZQIXUNRFDTPR-NRFANRHFSA-N 0 0 416.543 2.826 50 0 HFAARN Cc1nn(CCCC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000020866261 568646742 /nfs/dbraw/zinc/64/67/42/568646742.db2.gz XNKLJXHQUKWVQY-UHFFFAOYSA-N 0 0 419.485 2.680 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000020893218 568648325 /nfs/dbraw/zinc/64/83/25/568648325.db2.gz CIHJMVDQRKAGLN-INIZCTEOSA-N 0 0 424.453 2.707 50 0 HFAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c2cc(Cl)ccc2O1 ZINC000020902372 568650428 /nfs/dbraw/zinc/65/04/28/568650428.db2.gz JYGBLXIDBKMKDQ-CQSZACIVSA-N 0 0 407.898 2.618 50 0 HFAARN Cc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020930233 568651780 /nfs/dbraw/zinc/65/17/80/568651780.db2.gz GUTJABDUWDBIBG-AWEZNQCLSA-N 0 0 402.472 2.825 50 0 HFAARN C[C@H](Oc1nsnc1N1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000020946292 568653383 /nfs/dbraw/zinc/65/33/83/568653383.db2.gz IBZHEBQZRAOAJR-JTQLQIEISA-N 0 0 402.398 2.800 50 0 HFAARN CCOC(=O)c1cn(CC(=O)Nc2ccc(F)c(F)c2)c2nc(C)ccc2c1=O ZINC000020986391 568654978 /nfs/dbraw/zinc/65/49/78/568654978.db2.gz UAJHQIKGUCBDAK-UHFFFAOYSA-N 0 0 401.369 2.799 50 0 HFAARN CCc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2=O)s1 ZINC000021016821 568657719 /nfs/dbraw/zinc/65/77/19/568657719.db2.gz INYQBFIKUNTQIT-UHFFFAOYSA-N 0 0 424.438 2.916 50 0 HFAARN CCc1nn(C)c(OC)c1CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000225707582 568666297 /nfs/dbraw/zinc/66/62/97/568666297.db2.gz COKUZXKQVMMRCY-UHFFFAOYSA-N 0 0 409.368 2.990 50 0 HFAARN COC(=O)CN1c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C(C)(C)C1=O ZINC000021112885 568668577 /nfs/dbraw/zinc/66/85/77/568668577.db2.gz JUEDAOMLPTWQNT-UHFFFAOYSA-N 0 0 402.472 2.593 50 0 HFAARN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)c1 ZINC000021116784 568668931 /nfs/dbraw/zinc/66/89/31/568668931.db2.gz AGOFTJMHVOBFOB-UHFFFAOYSA-N 0 0 414.487 2.879 50 0 HFAARN CCC1(CC)NC(=O)N(CC(=O)Nc2cc(Br)c(Cl)cn2)C1=O ZINC000225762725 568672166 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Cc1cccc(CSCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000003344921 568884501 /nfs/dbraw/zinc/88/45/01/568884501.db2.gz QCQOSFFHHRHCLL-UHFFFAOYSA-N 0 0 422.547 2.900 50 0 HFAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 ZINC000015391019 568884841 /nfs/dbraw/zinc/88/48/41/568884841.db2.gz FNDOZSOXMABDMS-QGZVFWFLSA-N 0 0 407.923 2.985 50 0 HFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000003349460 568885315 /nfs/dbraw/zinc/88/53/15/568885315.db2.gz LMGPYIXBZRARRP-GOSISDBHSA-N 0 0 408.479 2.665 50 0 HFAARN Cc1ccc(S(=O)(=O)NCCCNC(=O)c2c[nH]nc2C2CCCCC2)cc1 ZINC000670440765 568890187 /nfs/dbraw/zinc/89/01/87/568890187.db2.gz JDPBAXLPOAMGLW-UHFFFAOYSA-N 0 0 404.536 2.864 50 0 HFAARN C[C@H]1CN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)C[C@H](C)O1 ZINC000003372691 568890888 /nfs/dbraw/zinc/89/08/88/568890888.db2.gz QREKFXLKRKHKBV-GJZGRUSLSA-N 0 0 413.499 2.766 50 0 HFAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000003378111 568891535 /nfs/dbraw/zinc/89/15/35/568891535.db2.gz QXDOIVVXBZIYEK-UXBLZVDNSA-N 0 0 401.415 2.916 50 0 HFAARN CCOc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000003382900 568892850 /nfs/dbraw/zinc/89/28/50/568892850.db2.gz QOGFVHNPTOZPIR-CYBMUJFWSA-N 0 0 401.415 2.684 50 0 HFAARN Cc1cc(C)n2c(nnc2SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1 ZINC000003389128 568893899 /nfs/dbraw/zinc/89/38/99/568893899.db2.gz XBVQOSBXJIZRGD-UHFFFAOYSA-N 0 0 418.910 2.584 50 0 HFAARN CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003395577 568895250 /nfs/dbraw/zinc/89/52/50/568895250.db2.gz XPJXNLBOCAXBQN-UHFFFAOYSA-N 0 0 416.927 2.588 50 0 HFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003408522 568897767 /nfs/dbraw/zinc/89/77/67/568897767.db2.gz XZDGUVQASDXCQZ-UHFFFAOYSA-N 0 0 401.484 2.829 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)ccc1C ZINC000003426502 568900569 /nfs/dbraw/zinc/90/05/69/568900569.db2.gz UMFHRLIOBHJDAH-QAPCUYQASA-N 0 0 424.563 2.877 50 0 HFAARN CCCCN(C(=O)c1cccc(C(F)(F)F)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003432851 568902010 /nfs/dbraw/zinc/90/20/10/568902010.db2.gz IXCYOJPEDZLESI-UHFFFAOYSA-N 0 0 412.412 2.995 50 0 HFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003432627 568902084 /nfs/dbraw/zinc/90/20/84/568902084.db2.gz JLYMQTONZIPRIC-GFCCVEGCSA-N 0 0 409.410 2.818 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000003434102 568902344 /nfs/dbraw/zinc/90/23/44/568902344.db2.gz MIFZNUOGVSNFEF-UHFFFAOYSA-N 0 0 402.472 2.575 50 0 HFAARN CCCCN(C(=O)c1ccccc1C(F)(F)F)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003441518 568903891 /nfs/dbraw/zinc/90/38/91/568903891.db2.gz KSOOPEOYFGIKQF-UHFFFAOYSA-N 0 0 412.412 2.995 50 0 HFAARN COC(=O)c1cc(NC(=O)COC(=O)c2ccc(F)cc2Cl)cc(C(=O)OC)c1 ZINC000003449921 568905315 /nfs/dbraw/zinc/90/53/15/568905315.db2.gz DETMHYKHQFGOMG-UHFFFAOYSA-N 0 0 423.780 2.848 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000003452003 568905977 /nfs/dbraw/zinc/90/59/77/568905977.db2.gz PFLJRTFVAFDUDZ-UHFFFAOYSA-N 0 0 408.907 2.522 50 0 HFAARN NC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003492113 568909541 /nfs/dbraw/zinc/90/95/41/568909541.db2.gz RCMLDOVYXPHVIA-UHFFFAOYSA-N 0 0 422.392 2.635 50 0 HFAARN COc1ccc2[nH]c(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)nc2c1 ZINC000003493553 568909566 /nfs/dbraw/zinc/90/95/66/568909566.db2.gz FXMMBMNWLRCHCQ-UHFFFAOYSA-N 0 0 414.443 2.783 50 0 HFAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(F)cc3)cc2C1=O ZINC000003500030 568909997 /nfs/dbraw/zinc/90/99/97/568909997.db2.gz VVWSLJAKLIIHJO-UHFFFAOYSA-N 0 0 412.417 2.695 50 0 HFAARN COc1ccc(CCn2ccn3nc(-c4ccc(OC)cc4)c(CO)c3c2=O)cc1 ZINC000263615610 568910501 /nfs/dbraw/zinc/91/05/01/568910501.db2.gz DEZOQLGWXFOHAD-UHFFFAOYSA-N 0 0 405.454 2.915 50 0 HFAARN COc1cccc(-c2cc3n(n2)[C@H](NCc2cccc(OC)c2OC)CNC3=O)c1 ZINC000263615954 568910598 /nfs/dbraw/zinc/91/05/98/568910598.db2.gz GFOFXKPKCWIUGI-FQEVSTJZSA-N 0 0 408.458 2.608 50 0 HFAARN NC(=O)c1ccccc1NC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000263616370 568910901 /nfs/dbraw/zinc/91/09/01/568910901.db2.gz IIBMECQDPKNBFB-UHFFFAOYSA-N 0 0 418.501 2.562 50 0 HFAARN Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc(=O)oc2c1 ZINC000003511250 568911230 /nfs/dbraw/zinc/91/12/30/568911230.db2.gz ZANNXGKDSZJFOE-UHFFFAOYSA-N 0 0 401.440 2.709 50 0 HFAARN COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc5c(c4)OCO5)ccn3n2)c1 ZINC000263618834 568912019 /nfs/dbraw/zinc/91/20/19/568912019.db2.gz VSXCOHDJXQILCG-LJQANCHMSA-N 0 0 405.410 2.634 50 0 HFAARN O=C(c1ccccc1)N1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 ZINC000263619622 568912703 /nfs/dbraw/zinc/91/27/03/568912703.db2.gz ZQMJQDBANLVEGK-JOCHJYFZSA-N 0 0 421.476 2.647 50 0 HFAARN CCCCn1c(N)c(N(CC)C(=O)Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O ZINC000003528698 568912715 /nfs/dbraw/zinc/91/27/15/568912715.db2.gz XLHYITZMPCNZQP-UHFFFAOYSA-N 0 0 413.305 2.821 50 0 HFAARN CCCCN1C(=O)c2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2C1=O ZINC000003537245 568913619 /nfs/dbraw/zinc/91/36/19/568913619.db2.gz ZSAAMHAUCKCLKG-UHFFFAOYSA-N 0 0 420.421 2.536 50 0 HFAARN COc1cccc2c1OC[C@@H](C(=O)NCCc1nc3sc(C)c(C)c3c(=O)[nH]1)C2 ZINC000670446898 568914811 /nfs/dbraw/zinc/91/48/11/568914811.db2.gz OQKKYWJHNBRWSS-AWEZNQCLSA-N 0 0 413.499 2.932 50 0 HFAARN COc1ccc(C(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000003560239 568915747 /nfs/dbraw/zinc/91/57/47/568915747.db2.gz GCCKXUAOUIGDCJ-NRFANRHFSA-N 0 0 412.486 2.580 50 0 HFAARN CCCn1nc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2c1=O ZINC000003563130 568915991 /nfs/dbraw/zinc/91/59/91/568915991.db2.gz MSQJVOQHQRALGA-HNNXBMFYSA-N 0 0 405.454 2.941 50 0 HFAARN CCCn1nc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c2ccccc2c1=O ZINC000003563157 568916023 /nfs/dbraw/zinc/91/60/23/568916023.db2.gz SMQXZCXPLRZPLK-UHFFFAOYSA-N 0 0 400.822 2.650 50 0 HFAARN COc1ccc(-c2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2C)cc1 ZINC000003565795 568916104 /nfs/dbraw/zinc/91/61/04/568916104.db2.gz AUAIUKYYIZLHCC-UHFFFAOYSA-N 0 0 414.487 2.930 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 ZINC000003563872 568916258 /nfs/dbraw/zinc/91/62/58/568916258.db2.gz GYBDGXANAQQSRJ-UHFFFAOYSA-N 0 0 415.515 2.862 50 0 HFAARN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000003566053 568916381 /nfs/dbraw/zinc/91/63/81/568916381.db2.gz JNDQNZAHYMENCS-UHFFFAOYSA-N 0 0 404.488 2.585 50 0 HFAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003568381 568916418 /nfs/dbraw/zinc/91/64/18/568916418.db2.gz HRWJUAHKKJTACS-UHFFFAOYSA-N 0 0 410.398 2.573 50 0 HFAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)NC(=O)NC1CC1 ZINC000012719969 568918255 /nfs/dbraw/zinc/91/82/55/568918255.db2.gz VHHVXVVMOXWRCW-CYBMUJFWSA-N 0 0 400.406 2.938 50 0 HFAARN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)C1CCCCC1 ZINC000003595615 568918517 /nfs/dbraw/zinc/91/85/17/568918517.db2.gz DQHXFEUNOURJPA-HXUWFJFHSA-N 0 0 409.433 2.846 50 0 HFAARN COc1ccc(N(C(=O)c2cc(OC)cc(OC)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165511 568918717 /nfs/dbraw/zinc/91/87/17/568918717.db2.gz FEEDVBBBLMMELH-MRXNPFEDSA-N 0 0 403.456 2.670 50 0 HFAARN COc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 ZINC000004166115 568919040 /nfs/dbraw/zinc/91/90/40/568919040.db2.gz DILGOVDQCVOULW-UHFFFAOYSA-N 0 0 403.442 2.846 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)c1C ZINC000004513255 568919045 /nfs/dbraw/zinc/91/90/45/568919045.db2.gz MMLJHEKTBDGUOX-UHFFFAOYSA-N 0 0 403.479 2.882 50 0 HFAARN NC(=O)c1nc(-c2cccnc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1 ZINC000004166814 568919386 /nfs/dbraw/zinc/91/93/86/568919386.db2.gz MIYOTBACTDBEEJ-UHFFFAOYSA-N 0 0 401.213 2.577 50 0 HFAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000004166693 568919387 /nfs/dbraw/zinc/91/93/87/568919387.db2.gz SJZUKJYYXFKFES-UHFFFAOYSA-N 0 0 412.425 2.897 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)N1C(=O)c3ccc(C)cc3C1=O)CC2 ZINC000031240317 568920493 /nfs/dbraw/zinc/92/04/93/568920493.db2.gz MQWUPYAJBRLMSH-CQSZACIVSA-N 0 0 408.454 2.582 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000012728802 568921106 /nfs/dbraw/zinc/92/11/06/568921106.db2.gz MMKBQODERUBXKY-UHFFFAOYSA-N 0 0 415.501 2.827 50 0 HFAARN CN(CCN1CCOCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000083860904 568921409 /nfs/dbraw/zinc/92/14/09/568921409.db2.gz IBBCWLVAKBCXJE-UHFFFAOYSA-N 0 0 400.454 2.874 50 0 HFAARN COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003661117 568923563 /nfs/dbraw/zinc/92/35/63/568923563.db2.gz XHEMMMGXLBGGBE-RTWAWAEBSA-N 0 0 412.486 2.767 50 0 HFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc32)c(OC)c1 ZINC000003665179 568923984 /nfs/dbraw/zinc/92/39/84/568923984.db2.gz PYLQRPNNMFNBQV-UHFFFAOYSA-N 0 0 407.473 2.511 50 0 HFAARN COc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)c1 ZINC000031359531 568924899 /nfs/dbraw/zinc/92/48/99/568924899.db2.gz SOCDJVVFGHDHLG-UHFFFAOYSA-N 0 0 413.543 2.958 50 0 HFAARN O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000031388190 568925206 /nfs/dbraw/zinc/92/52/06/568925206.db2.gz RMXIPAGRLPLLRI-UHFFFAOYSA-N 0 0 413.952 2.653 50 0 HFAARN COc1cccc(-n2cc(CNC(=O)c3ccc(CSc4nc[nH]n4)o3)cn2)c1 ZINC000670450260 568925917 /nfs/dbraw/zinc/92/59/17/568925917.db2.gz LYSOBTKZTRJMQW-UHFFFAOYSA-N 0 0 410.459 2.814 50 0 HFAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(F)c1 ZINC000012739789 568926865 /nfs/dbraw/zinc/92/68/65/568926865.db2.gz MGBXWRLEHPYPCV-HNNXBMFYSA-N 0 0 412.465 2.768 50 0 HFAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000031504382 568927140 /nfs/dbraw/zinc/92/71/40/568927140.db2.gz ZMTPJSQRDWBJIR-CQSZACIVSA-N 0 0 422.470 2.937 50 0 HFAARN NS(=O)(=O)c1ccc(Nc2nc3nc[nH]c3c(OCC3CCCCC3)n2)cc1 ZINC000003873287 568928188 /nfs/dbraw/zinc/92/81/88/568928188.db2.gz OWXORKPNCHJYOF-UHFFFAOYSA-N 0 0 402.480 2.703 50 0 in-vivo HFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C4CC4)s3)CC2)cc1 ZINC000016623730 568928530 /nfs/dbraw/zinc/92/85/30/568928530.db2.gz KUALBAZQSSTAHP-UHFFFAOYSA-N 0 0 406.533 2.763 50 0 HFAARN CCOC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000004184412 568928673 /nfs/dbraw/zinc/92/86/73/568928673.db2.gz VYLAJEIUSJLNLN-COPLHBTASA-N 0 0 414.302 2.832 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CC(F)(F)F)C3CC3)c2)C[C@@H](C)O1 ZINC000060034160 568929271 /nfs/dbraw/zinc/92/92/71/568929271.db2.gz YSDQYYDWUFYAEO-CHWSQXEVSA-N 0 0 420.453 2.651 50 0 HFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc2c(c1)OCO2 ZINC000031746814 568930204 /nfs/dbraw/zinc/93/02/04/568930204.db2.gz IGTFVTNIINRZJW-UHFFFAOYSA-N 0 0 420.512 2.960 50 0 HFAARN COc1ccccc1N1CCN(C(=O)c2noc(-c3cc(F)ccc3F)n2)CC1 ZINC000083980540 568930248 /nfs/dbraw/zinc/93/02/48/568930248.db2.gz ROIBMJNOXGSNHY-UHFFFAOYSA-N 0 0 400.385 2.986 50 0 HFAARN CC(C)CCN1C(=O)c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2C1=O ZINC000012744804 568930357 /nfs/dbraw/zinc/93/03/57/568930357.db2.gz SQWJRINFLMDJOG-INIZCTEOSA-N 0 0 408.454 2.899 50 0 HFAARN Cc1cccn2c(=O)cc(CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)nc12 ZINC000031767268 568930626 /nfs/dbraw/zinc/93/06/26/568930626.db2.gz BUXRBKGENFQXFL-JOCHJYFZSA-N 0 0 402.410 2.716 50 0 HFAARN Cc1ccc([C@@H](NC(=O)c2cc3ncc(CCO)cn3n2)c2cccnc2)cc1C ZINC000670454839 568930634 /nfs/dbraw/zinc/93/06/34/568930634.db2.gz UYCGECXNNXBWNX-JOCHJYFZSA-N 0 0 401.470 2.795 50 0 HFAARN O=C(CCNC(=O)c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012745572 568931277 /nfs/dbraw/zinc/93/12/77/568931277.db2.gz KZBFHLWUCXTCDK-UHFFFAOYSA-N 0 0 422.481 2.699 50 0 HFAARN CCC[NH+]1CCC(CCNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC000670455885 568933989 /nfs/dbraw/zinc/93/39/89/568933989.db2.gz DEAHHTREMGKDLZ-UHFFFAOYSA-N 0 0 406.907 2.968 50 0 HFAARN CCCOc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000004029392 568934458 /nfs/dbraw/zinc/93/44/58/568934458.db2.gz DDGJTKYWFCYWPO-DIKXUDHVSA-N 0 0 407.463 2.810 50 0 biogenic HFAARN Cc1cc(C)c(NC(=O)CNC(=O)CCn2cnc3c(C)cccc3c2=O)c(C)c1 ZINC000012748824 568934943 /nfs/dbraw/zinc/93/49/43/568934943.db2.gz FAYZFKAHRVWPGW-UHFFFAOYSA-N 0 0 406.486 2.775 50 0 HFAARN O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)Nc1ccc2c(c1)OCCO2 ZINC000016648804 568935403 /nfs/dbraw/zinc/93/54/03/568935403.db2.gz DLMYNVHBDWPLDP-OAHLLOKOSA-N 0 0 404.426 2.918 50 0 HFAARN Cc1cc(S(=O)(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)cnc1Cl ZINC000084101612 568937670 /nfs/dbraw/zinc/93/76/70/568937670.db2.gz BKAROTUYQDUBQD-UHFFFAOYSA-N 0 0 408.911 2.546 50 0 HFAARN C[C@@H](NC(=O)CCC(=O)Nc1cccnc1)C(=O)c1ccc(Br)cc1 ZINC000084099237 568937742 /nfs/dbraw/zinc/93/77/42/568937742.db2.gz CENIXFHVUNSOKE-GFCCVEGCSA-N 0 0 404.264 2.950 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC2CCCC2)C(=O)[C@]31C ZINC000004081931 568939221 /nfs/dbraw/zinc/93/92/21/568939221.db2.gz WXGATQKMVMUQEW-NPMABZOXSA-N 0 0 424.501 2.659 50 0 biogenic HFAARN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCn1ncnn1 ZINC000084124612 568939384 /nfs/dbraw/zinc/93/93/84/568939384.db2.gz FVAUTONUJTUMAP-UHFFFAOYSA-N 0 0 408.846 2.518 50 0 HFAARN CCOC(=O)c1nnn(-c2nc(N)nc(N(C(C)C)C(C)C)n2)c1-c1ccccc1 ZINC000001428525 568939565 /nfs/dbraw/zinc/93/95/65/568939565.db2.gz DDPFFKLHHVWSIG-UHFFFAOYSA-N 0 0 410.482 2.501 50 0 HFAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCCO4)c12)OC(C)(C)CC3 ZINC000004089299 568941498 /nfs/dbraw/zinc/94/14/98/568941498.db2.gz XMOFQBKJXNENKM-AWEZNQCLSA-N 0 0 401.459 2.879 50 0 biogenic HFAARN C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000012753156 568942297 /nfs/dbraw/zinc/94/22/97/568942297.db2.gz VZIHNONEOMYBSC-ZDUSSCGKSA-N 0 0 401.413 2.699 50 0 HFAARN COc1ccc(-c2nc(NC(=O)CSCC(=O)N3CCOCC3)sc2C)cc1 ZINC000004105579 568943015 /nfs/dbraw/zinc/94/30/15/568943015.db2.gz XIRXTWNBYOOQGD-UHFFFAOYSA-N 0 0 421.544 2.658 50 0 HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000012757843 568943310 /nfs/dbraw/zinc/94/33/10/568943310.db2.gz GDZBVXQMLVRFOO-UHFFFAOYSA-N 0 0 406.486 2.755 50 0 HFAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c(c1=O)S[C@H](C)C2 ZINC000004107885 568943551 /nfs/dbraw/zinc/94/35/51/568943551.db2.gz LPVJMGFAQXIAIW-SNVBAGLBSA-N 0 0 405.501 2.759 50 0 HFAARN O=C(c1ccc2c(c1)CCCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012762714 568946587 /nfs/dbraw/zinc/94/65/87/568946587.db2.gz IGWSCLOMHKSCDN-JOCHJYFZSA-N 0 0 406.482 2.690 50 0 HFAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccccc1COc1ccccc1 ZINC000012764114 568947261 /nfs/dbraw/zinc/94/72/61/568947261.db2.gz QLOSLFXFRKNFOU-UHFFFAOYSA-N 0 0 416.485 2.761 50 0 HFAARN CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1C ZINC000012764240 568947291 /nfs/dbraw/zinc/94/72/91/568947291.db2.gz FDTGAXYGEQAJLN-UHFFFAOYSA-N 0 0 403.548 2.888 50 0 HFAARN COC(=O)c1ccccc1N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012764376 568947814 /nfs/dbraw/zinc/94/78/14/568947814.db2.gz WISYQHUHGVESBO-UHFFFAOYSA-N 0 0 402.472 2.534 50 0 HFAARN CC(C)[C@@H](C(=O)NCc1ccccc1COc1ccccc1)N1CCCS1(=O)=O ZINC000084409339 568948706 /nfs/dbraw/zinc/94/87/06/568948706.db2.gz BIBQHDDPSLLXOI-NRFANRHFSA-N 0 0 416.543 2.942 50 0 HFAARN COc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004183224 568949514 /nfs/dbraw/zinc/94/95/14/568949514.db2.gz HWPKHIQAGZULAG-KRWDZBQOSA-N 0 0 419.499 2.542 50 0 HFAARN NC(=O)[C@@H]1CCN(C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC000084519338 568950104 /nfs/dbraw/zinc/95/01/04/568950104.db2.gz AHADOPBYDKNUML-PBHICJAKSA-N 0 0 403.276 2.903 50 0 HFAARN Cn1ccnc1[C@](O)(CCNC(=O)N1CCC[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000059300753 568950251 /nfs/dbraw/zinc/95/02/51/568950251.db2.gz GFSALTQLQXPTMN-GXFFZTMASA-N 0 0 402.339 2.544 50 0 HFAARN O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CCN(Cc2ccccc2)CC1 ZINC000084536093 568950791 /nfs/dbraw/zinc/95/07/91/568950791.db2.gz NRHPNBFSQZZCDW-UHFFFAOYSA-N 0 0 402.907 2.790 50 0 HFAARN O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004196852 568951345 /nfs/dbraw/zinc/95/13/45/568951345.db2.gz VYJPIWSPDSDDIA-UHFFFAOYSA-N 0 0 406.529 2.828 50 0 HFAARN CCOc1ccc(CCNC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)cc1OCC ZINC000012772290 568952132 /nfs/dbraw/zinc/95/21/32/568952132.db2.gz SSYBJNWKRJJCMA-UHFFFAOYSA-N 0 0 405.520 2.830 50 0 HFAARN Cc1c(C)n2c(nnc2SCC(=O)N2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000004250368 568954483 /nfs/dbraw/zinc/95/44/83/568954483.db2.gz AGJIMSVQJHOABA-UHFFFAOYSA-N 0 0 411.531 2.608 50 0 HFAARN Cc1c(C)n(-c2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n12 ZINC000004250733 568954793 /nfs/dbraw/zinc/95/47/93/568954793.db2.gz WPAXETPRMQSWFO-UHFFFAOYSA-N 0 0 413.481 2.998 50 0 HFAARN O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)cc1Cl ZINC000012778259 568955979 /nfs/dbraw/zinc/95/59/79/568955979.db2.gz ISEVJEXISAQBLA-ZDUSSCGKSA-N 0 0 400.859 2.700 50 0 HFAARN C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccccc3)c(=O)c2S1 ZINC000004265262 568956019 /nfs/dbraw/zinc/95/60/19/568956019.db2.gz NYAUCRQOUKAPPT-DZGCQCFKSA-N 0 0 417.556 2.657 50 0 HFAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2c(C)cc(C)cc2C)c3=O)cc1 ZINC000004266498 568956223 /nfs/dbraw/zinc/95/62/23/568956223.db2.gz QPRMACPQJKFOSX-UHFFFAOYSA-N 0 0 416.485 2.909 50 0 HFAARN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)C[C@@H](C)O1 ZINC000084713722 568956541 /nfs/dbraw/zinc/95/65/41/568956541.db2.gz DDROTNVLVLEVTB-BRWVUGGUSA-N 0 0 402.539 2.918 50 0 HFAARN O=C(CCCNC(=O)c1cccs1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012779444 568957058 /nfs/dbraw/zinc/95/70/58/568957058.db2.gz TVZRQMCILCUBOW-HNNXBMFYSA-N 0 0 407.561 2.509 50 0 HFAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 ZINC000004275774 568958197 /nfs/dbraw/zinc/95/81/97/568958197.db2.gz ZZHZVJQTHVIRSG-UHFFFAOYSA-N 0 0 409.533 2.910 50 0 HFAARN Cc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 ZINC000012784223 568959346 /nfs/dbraw/zinc/95/93/46/568959346.db2.gz HANRBMNRWYFQGN-UHFFFAOYSA-N 0 0 408.433 2.699 50 0 HFAARN CC(C)Cn1c(SCCCn2c3ccccc3[nH]c2=O)nnc1N1CCOCC1 ZINC000012784494 568959375 /nfs/dbraw/zinc/95/93/75/568959375.db2.gz FYWHWQREHOAWKM-UHFFFAOYSA-N 0 0 416.551 2.596 50 0 HFAARN O=C(CSc1nnc2ccccn21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000012784450 568959376 /nfs/dbraw/zinc/95/93/76/568959376.db2.gz WYGRLJSOVPQAIJ-UHFFFAOYSA-N 0 0 407.952 2.881 50 0 HFAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000004288514 568959392 /nfs/dbraw/zinc/95/93/92/568959392.db2.gz YQYYBXFIVYLKJL-HSZRJFAPSA-N 0 0 423.469 2.730 50 0 HFAARN COc1ccc(Cn2c(C)c(C)n3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 ZINC000004314078 568961575 /nfs/dbraw/zinc/96/15/75/568961575.db2.gz NPCSMMUNMUXVFI-UHFFFAOYSA-N 0 0 423.517 2.869 50 0 HFAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1nc2ccccc2s1 ZINC000004317616 568962614 /nfs/dbraw/zinc/96/26/14/568962614.db2.gz NDYMCCWKHUFIHF-UHFFFAOYSA-N 0 0 404.473 2.596 50 0 HFAARN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 ZINC000005615658 568962634 /nfs/dbraw/zinc/96/26/34/568962634.db2.gz HBYCURKXPUNXNU-IZZDOVSWSA-N 0 0 420.487 2.615 50 0 HFAARN O=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000007980153 568963502 /nfs/dbraw/zinc/96/35/02/568963502.db2.gz PACZXVQDAVULOO-GOSISDBHSA-N 0 0 412.511 2.751 50 0 HFAARN O=C(Cn1nnc2ccccc2c1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000007984484 568964220 /nfs/dbraw/zinc/96/42/20/568964220.db2.gz ZGIFYPNHBCZPJU-INIZCTEOSA-N 0 0 405.439 2.824 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000007985867 568964488 /nfs/dbraw/zinc/96/44/88/568964488.db2.gz WFGVRZGYJAIDDW-FQEVSTJZSA-N 0 0 402.516 2.733 50 0 HFAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000005005292 568964979 /nfs/dbraw/zinc/96/49/79/568964979.db2.gz HFQBPMXOLWQUQU-KRWDZBQOSA-N 0 0 404.536 2.693 50 0 HFAARN CCCCn1c(N)c(N(C)C(=O)c2ccccc2COc2ccccc2)c(=O)[nH]c1=O ZINC000007987305 568965093 /nfs/dbraw/zinc/96/50/93/568965093.db2.gz MYIZAHXOMNFXTG-UHFFFAOYSA-N 0 0 422.485 2.775 50 0 HFAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000007988858 568966123 /nfs/dbraw/zinc/96/61/23/568966123.db2.gz MWBLABGHUYUEKF-ZFWWWQNUSA-N 0 0 404.488 2.780 50 0 HFAARN Cc1cnc(C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cn1 ZINC000007989249 568966294 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/nfs/dbraw/zinc/00/94/60/569009460.db2.gz NIQPCNNKWBMTKD-UHFFFAOYSA-N 0 0 400.383 2.818 50 0 biogenic HFAARN Cn1c2nc(N3CCCCC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000002426287 569009584 /nfs/dbraw/zinc/00/95/84/569009584.db2.gz IAGDZZSIVHLVCH-UHFFFAOYSA-N 0 0 403.486 2.626 50 0 HFAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012858006 569011303 /nfs/dbraw/zinc/01/13/03/569011303.db2.gz KRDHSKXNZFNUHZ-UHFFFAOYSA-N 0 0 415.446 2.627 50 0 HFAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000015828600 569011752 /nfs/dbraw/zinc/01/17/52/569011752.db2.gz ODYGYVWZMGOBKC-UHFFFAOYSA-N 0 0 405.907 2.985 50 0 HFAARN COc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)C(C)C)cc1 ZINC000012862272 569011756 /nfs/dbraw/zinc/01/17/56/569011756.db2.gz ZKDXLPILAHTAEC-IBGZPJMESA-N 0 0 405.520 2.935 50 0 HFAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NCc1nnc2ccccn21 ZINC000015830901 569012186 /nfs/dbraw/zinc/01/21/86/569012186.db2.gz AKQKZPHZZKAMED-UHFFFAOYSA-N 0 0 422.495 2.546 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC ZINC000025665196 569012837 /nfs/dbraw/zinc/01/28/37/569012837.db2.gz LTJQSTNUVQFFAX-PVAVHDDUSA-N 0 0 410.536 2.738 50 0 HFAARN CC(=O)OC[C@@H]1CC2=C(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)C2)C[C@@H]1COC(C)=O ZINC000043198984 569012864 /nfs/dbraw/zinc/01/28/64/569012864.db2.gz UBGPJHUSWLGIBL-ZDNVTZCJSA-N 0 0 424.490 2.588 50 0 HFAARN CCOC(=O)c1sc(NC(=O)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1C ZINC000012871339 569013318 /nfs/dbraw/zinc/01/33/18/569013318.db2.gz ZAYWKPRGWZOYAL-STQMWFEESA-N 0 0 421.519 2.918 50 0 HFAARN COc1ccc(CCNC(=O)CSc2nncn2-c2ccccc2F)cc1OC ZINC000006129443 569013492 /nfs/dbraw/zinc/01/34/92/569013492.db2.gz NJUBKYMRSJGDTE-UHFFFAOYSA-N 0 0 416.478 2.875 50 0 HFAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1=O ZINC000015842756 569013853 /nfs/dbraw/zinc/01/38/53/569013853.db2.gz RCHZCMFLHBPGKK-ZDUSSCGKSA-N 0 0 406.891 2.625 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 ZINC000015842929 569013862 /nfs/dbraw/zinc/01/38/62/569013862.db2.gz VOMMBSDASVOWFM-NSHDSACASA-N 0 0 408.863 2.913 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1 ZINC000026099789 569014070 /nfs/dbraw/zinc/01/40/70/569014070.db2.gz ALKONQPUQWYBFA-UHFFFAOYSA-N 0 0 403.485 2.903 50 0 HFAARN CS(=O)(=O)NC1CCN(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)CC1 ZINC000026102583 569014156 /nfs/dbraw/zinc/01/41/56/569014156.db2.gz JNKNXOIMBSXZFF-ZHACJKMWSA-N 0 0 414.527 2.819 50 0 HFAARN COc1ccccc1CNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl ZINC000015858325 569014817 /nfs/dbraw/zinc/01/48/17/569014817.db2.gz ANWORTVIJKTYKC-LBPRGKRZSA-N 0 0 422.890 2.591 50 0 HFAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)C1=O ZINC000015858590 569014870 /nfs/dbraw/zinc/01/48/70/569014870.db2.gz JXNJBDOBEZYDAE-UHFFFAOYSA-N 0 0 406.891 2.973 50 0 HFAARN COc1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000015858424 569014871 /nfs/dbraw/zinc/01/48/71/569014871.db2.gz PXHIGBSCZMEFRF-LLVKDONJSA-N 0 0 408.863 2.913 50 0 HFAARN Cc1nc2[nH]c(NCc3cccs3)nn2c(=O)c1CCC(=O)N1CCCCCC1 ZINC000015859067 569015071 /nfs/dbraw/zinc/01/50/71/569015071.db2.gz WUVHPEIWLVNIBT-UHFFFAOYSA-N 0 0 414.535 2.735 50 0 HFAARN CCOc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000006155668 569015436 /nfs/dbraw/zinc/01/54/36/569015436.db2.gz GDQYZPXJVUXYBO-IBGZPJMESA-N 0 0 406.442 2.668 50 0 HFAARN Cc1nn(C(=O)c2cccs2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000015865223 569016551 /nfs/dbraw/zinc/01/65/51/569016551.db2.gz OHNZGLRBXKHSIG-UHFFFAOYSA-N 0 0 401.513 2.997 50 0 HFAARN CN(Cc1ccc(Br)cc1)C(=O)CN1CCN(c2nccs2)CC1 ZINC000035283934 569017325 /nfs/dbraw/zinc/01/73/25/569017325.db2.gz WVZXLSVBZKDXCO-UHFFFAOYSA-N 0 0 409.353 2.686 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1 ZINC000015881302 569018454 /nfs/dbraw/zinc/01/84/54/569018454.db2.gz LRZJWFJWHVSIIV-UHFFFAOYSA-N 0 0 411.389 2.809 50 0 HFAARN COc1ccc(-c2ccc(OCCNC(=O)c3cc(OC)cc(OC)c3)nn2)cc1 ZINC000015884398 569019722 /nfs/dbraw/zinc/01/97/22/569019722.db2.gz RRHSRGDBGPJTHT-UHFFFAOYSA-N 0 0 409.442 2.978 50 0 HFAARN CCCCn1c(N)c(N(CC)C(=O)CSCc2ccc(C)cc2)c(=O)[nH]c1=O ZINC000012897559 569020393 /nfs/dbraw/zinc/02/03/93/569020393.db2.gz GFIHBSGTPHZPOY-UHFFFAOYSA-N 0 0 404.536 2.514 50 0 HFAARN CC(C)CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012898037 569020463 /nfs/dbraw/zinc/02/04/63/569020463.db2.gz OKNRZCUCCCNIHB-UHFFFAOYSA-N 0 0 400.566 2.670 50 0 HFAARN COc1cc(OC)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000012907208 569021386 /nfs/dbraw/zinc/02/13/86/569021386.db2.gz GDOZRFIFTKFECS-UHFFFAOYSA-N 0 0 418.515 2.808 50 0 HFAARN Cc1cc(C)cc(-n2ncc3c2ncn(C[C@@H](O)COc2ccccc2F)c3=O)c1 ZINC000012921779 569023120 /nfs/dbraw/zinc/02/31/20/569023120.db2.gz JTKCXAKBZCIGTM-QGZVFWFLSA-N 0 0 408.433 2.778 50 0 HFAARN CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012922439 569023242 /nfs/dbraw/zinc/02/32/42/569023242.db2.gz NEHUYYZMZFWSNO-GOSISDBHSA-N 0 0 416.499 2.733 50 0 HFAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012927920 569024060 /nfs/dbraw/zinc/02/40/60/569024060.db2.gz BFYOTWVXQWZHMM-UHFFFAOYSA-N 0 0 409.471 2.535 50 0 HFAARN O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000015942135 569024228 /nfs/dbraw/zinc/02/42/28/569024228.db2.gz IYTWZSFKQPCFFO-UHFFFAOYSA-N 0 0 420.878 2.916 50 0 HFAARN COc1cccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)n2)c1 ZINC000012930841 569024612 /nfs/dbraw/zinc/02/46/12/569024612.db2.gz OFPRYSFUINUBNA-UHFFFAOYSA-N 0 0 420.473 2.660 50 0 HFAARN CCC1CCC2(CC1)NC(=O)N(Cc1nc(N)nc(Nc3ccc(F)cc3)n1)C2=O ZINC000012930659 569024626 /nfs/dbraw/zinc/02/46/26/569024626.db2.gz DKGKSPNZVJJHSR-UHFFFAOYSA-N 0 0 413.457 2.727 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c(C)c1 ZINC000012931458 569024813 /nfs/dbraw/zinc/02/48/13/569024813.db2.gz DEZUIDQFPPJZAU-UHFFFAOYSA-N 0 0 412.511 2.612 50 0 HFAARN O=C(NC[C@H]1CCCO1)c1cc(Br)ccc1I ZINC000012933216 569025257 /nfs/dbraw/zinc/02/52/57/569025257.db2.gz HDYWMGDAJCOPDC-SECBINFHSA-N 0 0 410.049 2.963 50 0 HFAARN O=C(NC[C@@H]1CCCO1)c1cc(Br)ccc1I ZINC000012933210 569025275 /nfs/dbraw/zinc/02/52/75/569025275.db2.gz HDYWMGDAJCOPDC-VIFPVBQESA-N 0 0 410.049 2.963 50 0 HFAARN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012936836 569027428 /nfs/dbraw/zinc/02/74/28/569027428.db2.gz WFPZEYNDVMABKC-OXJNMPFZSA-N 0 0 420.469 2.782 50 0 HFAARN CC(C)(C)OC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000016029509 569027880 /nfs/dbraw/zinc/02/78/80/569027880.db2.gz FKEPARICYDXJLM-LJQANCHMSA-N 0 0 412.486 2.982 50 0 biogenic HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000012938021 569027986 /nfs/dbraw/zinc/02/79/86/569027986.db2.gz IEGUZXHBMANISK-INIZCTEOSA-N 0 0 409.486 2.850 50 0 HFAARN O=C(N[C@@H](CO)c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000575443471 569028465 /nfs/dbraw/zinc/02/84/65/569028465.db2.gz XKZUYZYFOGYXIK-SFHVURJKSA-N 0 0 408.907 2.733 50 0 HFAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1Br ZINC000012942563 569028792 /nfs/dbraw/zinc/02/87/92/569028792.db2.gz YIZCEVHTCXMWGV-LLVKDONJSA-N 0 0 417.311 2.896 50 0 HFAARN CCOC(=O)c1sc2nc(C)n(C[C@H](O)COCc3ccccc3)c(=O)c2c1C ZINC000012947875 569029261 /nfs/dbraw/zinc/02/92/61/569029261.db2.gz FCGWIBQIGVUWIZ-INIZCTEOSA-N 0 0 416.499 2.829 50 0 HFAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)ccc21 ZINC000012948867 569029331 /nfs/dbraw/zinc/02/93/31/569029331.db2.gz ALBUQLYEGYZHFX-XIKOKIGWSA-N 0 0 424.428 2.975 50 0 HFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)ccc21 ZINC000012948870 569029338 /nfs/dbraw/zinc/02/93/38/569029338.db2.gz ALBUQLYEGYZHFX-SGTLLEGYSA-N 0 0 424.428 2.975 50 0 HFAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000012949119 569029373 /nfs/dbraw/zinc/02/93/73/569029373.db2.gz OKEKODXXDQANKK-NSHDSACASA-N 0 0 415.715 2.951 50 0 HFAARN COc1cc(N2C[C@H](C(=O)Nc3nc4c(s3)CCC4)CC2=O)cc(OC)c1OC ZINC000012952620 569029621 /nfs/dbraw/zinc/02/96/21/569029621.db2.gz HGJZGVKTHJVUQL-LLVKDONJSA-N 0 0 417.487 2.649 50 0 HFAARN C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3Cc2ccccc2F)n(C)c1=O ZINC000008704310 569031944 /nfs/dbraw/zinc/03/19/44/569031944.db2.gz LNEWGOBBQXRSGY-GJBLVYBDSA-N 0 0 410.453 2.569 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)cc1 ZINC000575610561 569032368 /nfs/dbraw/zinc/03/23/68/569032368.db2.gz PPGFEEXQTUAEGM-OAHLLOKOSA-N 0 0 407.469 2.807 50 0 HFAARN CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575611917 569032474 /nfs/dbraw/zinc/03/24/74/569032474.db2.gz ILOFYVGNFWOPOZ-JOCHJYFZSA-N 0 0 414.527 2.778 50 0 HFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1OC)C(=O)CO2 ZINC000035377120 569034383 /nfs/dbraw/zinc/03/43/83/569034383.db2.gz FBJWXJCUXQRNPM-UHFFFAOYSA-N 0 0 411.458 2.541 50 0 HFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCCC1=CCCCC1)C(=O)CO2 ZINC000035377101 569034405 /nfs/dbraw/zinc/03/44/05/569034405.db2.gz JEGGNDPHTPUSAO-UHFFFAOYSA-N 0 0 413.518 2.901 50 0 HFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000035379980 569034536 /nfs/dbraw/zinc/03/45/36/569034536.db2.gz PULBVTKFTYBYOB-UHFFFAOYSA-N 0 0 414.896 2.551 50 0 HFAARN Cn1c(=O)n(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)nc1C(F)(F)F ZINC000575615288 569036240 /nfs/dbraw/zinc/03/62/40/569036240.db2.gz NIWUHVQLMZRFJZ-UHFFFAOYSA-N 0 0 419.407 2.869 50 0 HFAARN COc1ccc(OC)c(CNC(=O)Cn2cnc3c4cc(C)ccc4[nH]c3c2=O)c1 ZINC000035423779 569036435 /nfs/dbraw/zinc/03/64/35/569036435.db2.gz CEUYARFPAMUTIA-UHFFFAOYSA-N 0 0 406.442 2.520 50 0 HFAARN COc1cc2[nH]c3c(ncn(CCC(=O)NCc4ccccc4)c3=O)c2cc1OC ZINC000035424057 569036438 /nfs/dbraw/zinc/03/64/38/569036438.db2.gz HVRFMWVDQIWFOH-UHFFFAOYSA-N 0 0 406.442 2.602 50 0 HFAARN Cc1ccccc1NC(=O)Cn1nc2c(N3CCCCC3)nc3ccccc3n2c1=O ZINC000035425428 569036513 /nfs/dbraw/zinc/03/65/13/569036513.db2.gz PGLPLJWGFCLZKC-UHFFFAOYSA-N 0 0 416.485 2.982 50 0 HFAARN Cc1cc(C)cc(NC(=O)Cn2nc3c(N4CCCC4)nc4ccccc4n3c2=O)c1 ZINC000035425568 569036542 /nfs/dbraw/zinc/03/65/42/569036542.db2.gz RCSQVBKYXUGYJJ-UHFFFAOYSA-N 0 0 416.485 2.900 50 0 HFAARN CCc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000035430776 569036792 /nfs/dbraw/zinc/03/67/92/569036792.db2.gz SAHLLZIYTWIKQR-UHFFFAOYSA-N 0 0 408.477 2.738 50 0 biogenic HFAARN CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1 ZINC000035431291 569037088 /nfs/dbraw/zinc/03/70/88/569037088.db2.gz JJIISNXGIOHPJP-UHFFFAOYSA-N 0 0 419.503 2.629 50 0 HFAARN CCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000035431132 569037094 /nfs/dbraw/zinc/03/70/94/569037094.db2.gz SNPPHDXTCOACJF-LJQANCHMSA-N 0 0 400.500 2.723 50 0 HFAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4ccnn4C)c3)cc2)co1 ZINC000575617600 569037331 /nfs/dbraw/zinc/03/73/31/569037331.db2.gz XVEDNMKPHZUEQY-UHFFFAOYSA-N 0 0 409.471 2.924 50 0 HFAARN COc1ccc(-c2cc3n(n2)c(=O)c(CCC(=O)NCc2ccco2)c(C)n3C)cc1 ZINC000035448813 569037531 /nfs/dbraw/zinc/03/75/31/569037531.db2.gz STFDNYXBRIAOEK-UHFFFAOYSA-N 0 0 420.469 2.859 50 0 HFAARN Cc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C(=O)C3=O)CC2)c1 ZINC000035451572 569037683 /nfs/dbraw/zinc/03/76/83/569037683.db2.gz YLWUXVORDOJXTJ-UHFFFAOYSA-N 0 0 420.513 2.862 50 0 HFAARN COc1cccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000035477340 569038425 /nfs/dbraw/zinc/03/84/25/569038425.db2.gz UBJLQQHYWFWNOQ-QHCPKHFHSA-N 0 0 404.470 2.936 50 0 HFAARN O=S(=O)(NC[C@@H](OCCO)c1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000575622179 569038968 /nfs/dbraw/zinc/03/89/68/569038968.db2.gz XGQPIVPUTNGQEA-CYBMUJFWSA-N 0 0 411.423 2.675 50 0 HFAARN CCc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3ccc(F)cc3)S2(=O)=O)cc1 ZINC000035504329 569040813 /nfs/dbraw/zinc/04/08/13/569040813.db2.gz XLCBJNUSWOJVMT-UHFFFAOYSA-N 0 0 416.474 2.608 50 0 HFAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cn2C)c1 ZINC000035507790 569040960 /nfs/dbraw/zinc/04/09/60/569040960.db2.gz MJCQMTCGPVTRFU-UHFFFAOYSA-N 0 0 421.519 2.715 50 0 HFAARN COc1cccc(NC(=O)[C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000012975668 569042104 /nfs/dbraw/zinc/04/21/04/569042104.db2.gz SFCIJPZNDSFGMT-AWEZNQCLSA-N 0 0 423.560 2.527 50 0 HFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCCSC[C@@H]1CN1CCOCC1 ZINC000090609162 569042420 /nfs/dbraw/zinc/04/24/20/569042420.db2.gz ZLNOLNZBFKBOEF-HNNXBMFYSA-N 0 0 404.454 2.865 50 0 HFAARN COc1cc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)cc(OC)c1 ZINC000035510694 569042915 /nfs/dbraw/zinc/04/29/15/569042915.db2.gz ITKJFPYWHOILPO-UHFFFAOYSA-N 0 0 421.461 2.515 50 0 HFAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1csc(-c2ccncc2)n1 ZINC000035512084 569043181 /nfs/dbraw/zinc/04/31/81/569043181.db2.gz YUPDSTOYWIYKPD-UHFFFAOYSA-N 0 0 411.506 2.896 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2F)cc1 ZINC000006328461 569043422 /nfs/dbraw/zinc/04/34/22/569043422.db2.gz JZFXFWJELGTRDX-UHFFFAOYSA-N 0 0 400.497 2.965 50 0 HFAARN CC1=C(c2ccc(F)cc2)S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000035534687 569043467 /nfs/dbraw/zinc/04/34/67/569043467.db2.gz BFAOGMMIFAJSSS-UHFFFAOYSA-N 0 0 402.447 2.984 50 0 HFAARN COc1ccc(OCC(=O)N2CCN(C(=O)c3cc4cc(OC)ccc4[nH]3)CC2)cc1 ZINC000035527008 569043859 /nfs/dbraw/zinc/04/38/59/569043859.db2.gz JLDUPDFCIHUXIP-UHFFFAOYSA-N 0 0 423.469 2.549 50 0 HFAARN CCn1c2nnc(CCC(=O)N3CCc4ccccc4C3)n2c2ccsc2c1=O ZINC000035528452 569044020 /nfs/dbraw/zinc/04/40/20/569044020.db2.gz YCGSCTKQDWXQTJ-UHFFFAOYSA-N 0 0 407.499 2.643 50 0 HFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3cccc(C)c3)c(C)s2)no1 ZINC000035556338 569044663 /nfs/dbraw/zinc/04/46/63/569044663.db2.gz HGCOLEMJIAFJNM-UHFFFAOYSA-N 0 0 420.516 2.894 50 0 HFAARN Cc1nc(-c2cccc(S(=O)(=O)N(C)CC(=O)Nc3cccc(Cl)c3)c2)no1 ZINC000035556563 569044668 /nfs/dbraw/zinc/04/46/68/569044668.db2.gz DRYRFJZZFQSMIM-UHFFFAOYSA-N 0 0 420.878 2.958 50 0 HFAARN CN(Cc1ccccc1)C(=O)CN1c2cc(C(=O)N3CCCCC3)ccc2OCC1=O ZINC000035558842 569044814 /nfs/dbraw/zinc/04/48/14/569044814.db2.gz UEEYWUJKDQZTKE-UHFFFAOYSA-N 0 0 421.497 2.697 50 0 HFAARN COc1ccc(/C=C/C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)cc1OC ZINC000035597300 569045700 /nfs/dbraw/zinc/04/57/00/569045700.db2.gz HEEUPMAIFICLER-SOFGYWHQSA-N 0 0 422.489 2.538 50 0 HFAARN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)C1 ZINC000006872205 569048143 /nfs/dbraw/zinc/04/81/43/569048143.db2.gz QMFSIRBMFBOUKD-FCHUYYIVSA-N 0 0 407.514 2.988 50 0 HFAARN O=C(CCN1C(=O)COc2ccccc21)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000012998923 569048940 /nfs/dbraw/zinc/04/89/40/569048940.db2.gz VUZLABBQVNTRJY-UHFFFAOYSA-N 0 0 422.268 2.864 50 0 HFAARN Nc1nc(O)c(CC(=O)Nc2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)s1 ZINC000013006071 569049652 /nfs/dbraw/zinc/04/96/52/569049652.db2.gz SHBODKOWEOBTQI-ROUUACIJSA-N 0 0 422.510 2.779 50 0 HFAARN NC(=O)CCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1ccccc1 ZINC000013011555 569050540 /nfs/dbraw/zinc/05/05/40/569050540.db2.gz BCSAKUVTGJSPEP-UHFFFAOYSA-N 0 0 404.470 2.645 50 0 HFAARN C[C@H](SCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013016932 569050921 /nfs/dbraw/zinc/05/09/21/569050921.db2.gz LSDOJTJRLCQZMG-ZDUSSCGKSA-N 0 0 412.467 2.814 50 0 HFAARN Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2sccc2C(N)=O)c1C ZINC000013023805 569051309 /nfs/dbraw/zinc/05/13/09/569051309.db2.gz FCXHRGAPLXYSIB-LLVKDONJSA-N 0 0 402.505 2.559 50 0 HFAARN COCCNC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccc(OC)cc1 ZINC000035703746 569052683 /nfs/dbraw/zinc/05/26/83/569052683.db2.gz NWUSBOXYAKBLLW-RXVVDRJESA-N 0 0 400.500 2.714 50 0 HFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1 ZINC000006441496 569052821 /nfs/dbraw/zinc/05/28/21/569052821.db2.gz ZGHMNXMCIFUNPV-UHFFFAOYSA-N 0 0 404.492 2.549 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](CCSC)C(=O)OC ZINC000239310249 569054176 /nfs/dbraw/zinc/05/41/76/569054176.db2.gz IGJYQBVVOMWCIQ-DSIITGHMSA-N 0 0 400.585 2.755 50 0 HFAARN CCc1nsc(N2CCCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)n1 ZINC000089295536 569058210 /nfs/dbraw/zinc/05/82/10/569058210.db2.gz BTNGPKQVSZZLFK-UHFFFAOYSA-N 0 0 402.549 2.808 50 0 HFAARN COc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001916983 569059317 /nfs/dbraw/zinc/05/93/17/569059317.db2.gz UVZYDPDBIHMHOM-IBGZPJMESA-N 0 0 424.453 2.888 50 0 HFAARN CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000001936205 569059810 /nfs/dbraw/zinc/05/98/10/569059810.db2.gz ZKJYLGUSRLLPEZ-UHFFFAOYSA-N 0 0 408.454 2.979 50 0 HFAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@H](C(=O)NC1CC1)C2 ZINC000035871816 569064144 /nfs/dbraw/zinc/06/41/44/569064144.db2.gz YJKSABFNQHOWSN-DENIHFKCSA-N 0 0 407.514 2.850 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000006539810 569064467 /nfs/dbraw/zinc/06/44/67/569064467.db2.gz OCECTKQSQGKXES-UHFFFAOYSA-N 0 0 410.879 2.622 50 0 HFAARN COCCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035911123 569065932 /nfs/dbraw/zinc/06/59/32/569065932.db2.gz KGFASWYFKSWCEW-FYYLOGMGSA-N 0 0 409.530 2.715 50 0 HFAARN Cn1nc2nc(N3CCN(c4ccccn4)CC3)nc(-c3ccccc3Cl)c2c1N ZINC000035929794 569066741 /nfs/dbraw/zinc/06/67/41/569066741.db2.gz ZTRZREIZWQKTKK-UHFFFAOYSA-N 0 0 420.908 2.988 50 0 HFAARN Cc1nnc(SCC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000006580243 569066860 /nfs/dbraw/zinc/06/68/60/569066860.db2.gz QPHUDAOQVUMZGG-UHFFFAOYSA-N 0 0 402.501 2.710 50 0 HFAARN Cn1nc(-c2nc(-c3ccccc3F)no2)c2c1CCN(C(=O)Cc1cccnc1)C2 ZINC000064566354 569067181 /nfs/dbraw/zinc/06/71/81/569067181.db2.gz HGTRHZJONGWRIB-UHFFFAOYSA-N 0 0 418.432 2.799 50 0 HFAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC3)n1 ZINC000064566260 569067214 /nfs/dbraw/zinc/06/72/14/569067214.db2.gz HUXROONFMWFMQQ-LLVKDONJSA-N 0 0 401.854 2.784 50 0 HFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)Cc2cccs2)CC3)n1C ZINC000064567058 569067263 /nfs/dbraw/zinc/06/72/63/569067263.db2.gz PCXQYJTYVNCRRB-UHFFFAOYSA-N 0 0 402.549 2.517 50 0 HFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)Cc1cccs1)CC2 ZINC000064567154 569067266 /nfs/dbraw/zinc/06/72/66/569067266.db2.gz XGGLDYRYYWCIRR-UHFFFAOYSA-N 0 0 402.549 2.609 50 0 HFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1c(F)cccc1F)CC2 ZINC000064567151 569067287 /nfs/dbraw/zinc/06/72/87/569067287.db2.gz SSVOMPNTYOLJGD-UHFFFAOYSA-N 0 0 418.473 2.897 50 0 HFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1ccc(F)cc1)CC2 ZINC000064567171 569067291 /nfs/dbraw/zinc/06/72/91/569067291.db2.gz OOJAXQHILRQLCY-UHFFFAOYSA-N 0 0 400.483 2.758 50 0 HFAARN CCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 ZINC000006587236 569067823 /nfs/dbraw/zinc/06/78/23/569067823.db2.gz KUZSHBWOCPBGGF-UHFFFAOYSA-N 0 0 422.503 2.752 50 0 HFAARN CCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000006589438 569068110 /nfs/dbraw/zinc/06/81/10/569068110.db2.gz BRSWJABIAAQNAK-OAHLLOKOSA-N 0 0 415.490 2.959 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)c1 ZINC000064580539 569068579 /nfs/dbraw/zinc/06/85/79/569068579.db2.gz ZENBURLFFBQFAZ-UHFFFAOYSA-N 0 0 403.504 2.554 50 0 HFAARN Cc1csc(=O)n1CCC(=O)OCC(=O)NCc1ccc(Cl)cc1Cl ZINC000006590747 569068637 /nfs/dbraw/zinc/06/86/37/569068637.db2.gz CBJOKCSZTCGPEH-UHFFFAOYSA-N 0 0 403.287 2.775 50 0 HFAARN Cc1ccc(-c2nn3c(nc(CNC(=O)COc4ccc(F)cc4)cc3=O)s2)cc1 ZINC000064588596 569068924 /nfs/dbraw/zinc/06/89/24/569068924.db2.gz PPNDMMIAOLYSRY-UHFFFAOYSA-N 0 0 424.457 2.961 50 0 HFAARN CCN1C2=C(C(=O)N([C@H](C(=O)NC3CC3)C(C)C)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035966266 569069023 /nfs/dbraw/zinc/06/90/23/569069023.db2.gz ZQFOJCKZFNBVCP-RTWAWAEBSA-N 0 0 424.545 2.789 50 0 HFAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)Nc1ccc(F)cc1 ZINC000064593340 569069526 /nfs/dbraw/zinc/06/95/26/569069526.db2.gz TUZDFLLQOFCUQI-UHFFFAOYSA-N 0 0 413.409 2.889 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc4c(c2)OCO4)C1=O)C3 ZINC000100792896 569069872 /nfs/dbraw/zinc/06/98/72/569069872.db2.gz ORMPIIZOXIWLNK-LJQANCHMSA-N 0 0 419.437 2.595 50 0 biogenic HFAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000006602214 569069957 /nfs/dbraw/zinc/06/99/57/569069957.db2.gz XRIRXPNOIOUSNM-UHFFFAOYSA-N 0 0 412.442 2.625 50 0 HFAARN COc1ccc(N2C(=O)C[C@@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)c(OC)c1 ZINC000030903955 569070172 /nfs/dbraw/zinc/07/01/72/569070172.db2.gz SUXXDRKFFNDTOB-HXUWFJFHSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)c(C)c1 ZINC000089568824 569070372 /nfs/dbraw/zinc/07/03/72/569070372.db2.gz FOOMEBORGKGOHW-UHFFFAOYSA-N 0 0 402.516 2.524 50 0 HFAARN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000006607386 569071600 /nfs/dbraw/zinc/07/16/00/569071600.db2.gz HMKYCKOFJIMROE-UHFFFAOYSA-N 0 0 407.426 2.947 50 0 HFAARN COc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)c1 ZINC000006607117 569071628 /nfs/dbraw/zinc/07/16/28/569071628.db2.gz BNKATSCAAVPMSE-UHFFFAOYSA-N 0 0 403.504 2.935 50 0 HFAARN O=C(c1ccc(-c2ccccc2F)o1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000006610517 569074176 /nfs/dbraw/zinc/07/41/76/569074176.db2.gz SFMPAPZDTREMBI-HUUCEWRRSA-N 0 0 407.463 2.894 50 0 HFAARN COc1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000006611400 569074212 /nfs/dbraw/zinc/07/42/12/569074212.db2.gz 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CC(C)CCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319155 569221969 /nfs/dbraw/zinc/22/19/69/569221969.db2.gz WBTJTPMEZNUYKM-UHFFFAOYSA-N 0 0 406.508 2.687 50 0 HFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc4cccc(C)n43)C2)cc1OC ZINC000065312847 569222210 /nfs/dbraw/zinc/22/22/10/569222210.db2.gz JGCLOYGGBQYYDU-QGZVFWFLSA-N 0 0 409.490 2.588 50 0 HFAARN O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCCC3)cc21)Nc1cccnc1 ZINC000065314901 569223318 /nfs/dbraw/zinc/22/33/18/569223318.db2.gz NEMNHYLHFFUDJJ-UHFFFAOYSA-N 0 0 410.499 2.785 50 0 HFAARN O=C(NCc1cccs1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000238811327 569224174 /nfs/dbraw/zinc/22/41/74/569224174.db2.gz AJPOJZORLPIOAM-UHFFFAOYSA-N 0 0 402.451 2.849 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)n1 ZINC000065329768 569224968 /nfs/dbraw/zinc/22/49/68/569224968.db2.gz FDVQRCLCJFEIIP-UHFFFAOYSA-N 0 0 418.475 2.768 50 0 HFAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000007190589 569227970 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/nfs/dbraw/zinc/30/35/42/569303542.db2.gz NBUUWXPDXPEIGO-UHFFFAOYSA-N 0 0 413.499 2.921 50 0 HFAARN Cc1onc(-c2ccccc2)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000007732061 569304458 /nfs/dbraw/zinc/30/44/58/569304458.db2.gz YIVRRWOUUKXJLW-UHFFFAOYSA-N 0 0 402.428 2.533 50 0 HFAARN CCn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2cccc(F)c2)c1=O ZINC000037558836 569306558 /nfs/dbraw/zinc/30/65/58/569306558.db2.gz RUUWDFCIEDXYPR-UHFFFAOYSA-N 0 0 400.360 2.834 50 0 HFAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000007777398 569308703 /nfs/dbraw/zinc/30/87/03/569308703.db2.gz WVNCLQBJYJHTDG-HXUWFJFHSA-N 0 0 401.850 2.937 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)c2ccccn2)cc1 ZINC000007777783 569308723 /nfs/dbraw/zinc/30/87/23/569308723.db2.gz LDMNWPMVIMROCI-HNNXBMFYSA-N 0 0 403.504 2.562 50 0 HFAARN O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000007777820 569308844 /nfs/dbraw/zinc/30/88/44/569308844.db2.gz VZUXUURPUVFOIM-UHFFFAOYSA-N 0 0 402.516 2.624 50 0 HFAARN O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000007813316 569312335 /nfs/dbraw/zinc/31/23/35/569312335.db2.gz VERYQSYZVXIXAO-UHFFFAOYSA-N 0 0 410.455 2.971 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2ccccc2OC)c1 ZINC000007842358 569314056 /nfs/dbraw/zinc/31/40/56/569314056.db2.gz KSVWPFYMRQVTPO-UHFFFAOYSA-N 0 0 419.547 2.973 50 0 HFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)CCC3)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000007887705 569315263 /nfs/dbraw/zinc/31/52/63/569315263.db2.gz HFEMKFLVCZAKDM-IBGZPJMESA-N 0 0 415.511 2.993 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C(F)(F)F ZINC000252667760 569319129 /nfs/dbraw/zinc/31/91/29/569319129.db2.gz DLLADMPAVGUCGB-HZMBPMFUSA-N 0 0 407.820 2.724 50 0 HFAARN C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCO[C@@]12COCO2 ZINC000252693626 569320154 /nfs/dbraw/zinc/32/01/54/569320154.db2.gz FHTMINSWFXHFIA-HSPXMHFHSA-N 0 0 404.459 2.683 50 0 biogenic HFAARN O=C(Cc1cccc2cccnc21)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054815326 569323716 /nfs/dbraw/zinc/32/37/16/569323716.db2.gz QHKLMMDBPLOCPR-UHFFFAOYSA-N 0 0 415.540 2.808 50 0 HFAARN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(OCC2CCOCC2)nc1 ZINC000253401805 569365735 /nfs/dbraw/zinc/36/57/35/569365735.db2.gz NNIQDDAPQNXZCL-INIZCTEOSA-N 0 0 419.522 2.968 50 0 HFAARN C[C@@H](CO)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 ZINC000253414597 569367025 /nfs/dbraw/zinc/36/70/25/569367025.db2.gz XXURVDNMFZAWGU-ZDUSSCGKSA-N 0 0 415.486 2.651 50 0 biogenic HFAARN CC[C@@H](CO)NC(=O)Cc1ccc(N[C@H](COC(C)=O)c2ccc(Cl)cn2)cc1 ZINC000253415964 569367064 /nfs/dbraw/zinc/36/70/64/569367064.db2.gz GHIDNVDJCXWFDS-FXAWDEMLSA-N 0 0 419.909 2.881 50 0 HFAARN Nc1nsc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 ZINC000253426145 569368173 /nfs/dbraw/zinc/36/81/73/569368173.db2.gz BKMQFDQBIKQKNE-UHFFFAOYSA-N 0 0 407.565 2.679 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2=C(C)OCCS2)c1 ZINC000253432054 569370057 /nfs/dbraw/zinc/37/00/57/569370057.db2.gz VOJHMCNVBVHJNC-UHFFFAOYSA-N 0 0 400.522 2.659 50 0 HFAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN2CCOCC2)cc1C ZINC000027550266 569372537 /nfs/dbraw/zinc/37/25/37/569372537.db2.gz CBPKPFMXTOAZCF-HKWRFOASSA-N 0 0 413.543 2.584 50 0 HFAARN Cc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl ZINC000055053688 569380853 /nfs/dbraw/zinc/38/08/53/569380853.db2.gz AAOOZQHWNVQFDP-LJQANCHMSA-N 0 0 403.885 2.794 50 0 HFAARN O=C(NC[C@H]1COc2ccccc2O1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472636 569381690 /nfs/dbraw/zinc/38/16/90/569381690.db2.gz OAGKCZAVYYJNBZ-HNNXBMFYSA-N 0 0 404.850 2.863 50 0 HFAARN COc1cc([C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc(OC)c1OC ZINC000585655814 569389846 /nfs/dbraw/zinc/38/98/46/569389846.db2.gz URUJYXHBVGIBCK-CYBMUJFWSA-N 0 0 414.462 2.672 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000009831894 569394210 /nfs/dbraw/zinc/39/42/10/569394210.db2.gz NYYHUKYGSWPITM-BQYQJAHWSA-N 0 0 423.922 2.881 50 0 HFAARN Cc1cccc(-c2c3c(cn2-c2ccc4c(c2)OCCO4)n(C)c(=O)n(C)c3=O)c1 ZINC000002406012 569396071 /nfs/dbraw/zinc/39/60/71/569396071.db2.gz YPRUAUBCVNETEP-UHFFFAOYSA-N 0 0 403.438 2.775 50 0 HFAARN C[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000002409958 569396590 /nfs/dbraw/zinc/39/65/90/569396590.db2.gz IPGVHRKDDPHFCC-NWDGAFQWSA-N 0 0 422.528 2.635 50 0 HFAARN O=C(COc1ccc2ccccc2c1)NC1=NN2C(=NC(=O)C[C@H]2c2ccccc2)N1 ZINC000002410320 569396764 /nfs/dbraw/zinc/39/67/64/569396764.db2.gz WDJSJTBBNGRWGZ-IBGZPJMESA-N 0 0 413.437 2.539 50 0 HFAARN O=c1/c(=C\c2c(F)cccc2Cl)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002439320 569400100 /nfs/dbraw/zinc/40/01/00/569400100.db2.gz BREWGHFKWPXYBT-CXUHLZMHSA-N 0 0 417.824 2.581 50 0 HFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000012552674 569401732 /nfs/dbraw/zinc/40/17/32/569401732.db2.gz ZAAWYNPVVXIHRZ-WDBUWWRISA-N 0 0 410.499 2.753 50 0 HFAARN O=C1C2=C(CN1C[C@H]1CCCO1)NC(=O)N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000012879411 569404469 /nfs/dbraw/zinc/40/44/69/569404469.db2.gz RGVJSIJFNXJOCH-KNQAVFIVSA-N 0 0 419.481 2.895 50 0 HFAARN COc1ccc(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1OC ZINC000012894216 569404686 /nfs/dbraw/zinc/40/46/86/569404686.db2.gz QVRDKKPGSPQUKT-UHFFFAOYSA-N 0 0 415.442 2.848 50 0 biogenic HFAARN Cc1ccccc1OCCN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013002525 569406441 /nfs/dbraw/zinc/40/64/41/569406441.db2.gz DHCSVSOMPCZDIW-UHFFFAOYSA-N 0 0 402.516 2.931 50 0 HFAARN CCOc1ccc(N2CCn3c2nn(Cc2c(F)cccc2Cl)c(=O)c3=O)cc1 ZINC000013010306 569407247 /nfs/dbraw/zinc/40/72/47/569407247.db2.gz QIGARRWGCZDNES-UHFFFAOYSA-N 0 0 416.840 2.796 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000007955240 569414012 /nfs/dbraw/zinc/41/40/12/569414012.db2.gz SBZYVUYROGHKKL-VIFPVBQESA-N 0 0 406.291 2.581 50 0 HFAARN Cc1nn(C)c(Cl)c1CN(C)C(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000328591291 569415072 /nfs/dbraw/zinc/41/50/72/569415072.db2.gz NGNDCWKVUZTVFY-UHFFFAOYSA-N 0 0 407.927 2.819 50 0 HFAARN Cc1sc2nc([C@@H](C)OC(=O)CN3CC(=O)Nc4ccccc43)[nH]c(=O)c2c1C ZINC000078808720 569420563 /nfs/dbraw/zinc/42/05/63/569420563.db2.gz BGGQBFFBNKDHBG-LLVKDONJSA-N 0 0 412.471 2.664 50 0 HFAARN COC(=O)[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(C)(C)C ZINC000078815346 569420606 /nfs/dbraw/zinc/42/06/06/569420606.db2.gz WCRKLAVDSSMOLU-GOSISDBHSA-N 0 0 403.500 2.978 50 0 HFAARN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)C1 ZINC000078821992 569420641 /nfs/dbraw/zinc/42/06/41/569420641.db2.gz GIHVSOLDKFULIE-XHSDSOJGSA-N 0 0 411.543 2.512 50 0 HFAARN Cc1ccccc1-n1nc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c2c1CCC2 ZINC000078820691 569420703 /nfs/dbraw/zinc/42/07/03/569420703.db2.gz KLPLSNIDIZKRFP-QGZVFWFLSA-N 0 0 407.495 2.928 50 0 HFAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc(C)c1 ZINC000019420239 569420787 /nfs/dbraw/zinc/42/07/87/569420787.db2.gz KMYZCAIEWZQYEI-QHCPKHFHSA-N 0 0 408.454 2.664 50 0 HFAARN C[C@H](CC[S@@](C)=O)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000078963581 569422179 /nfs/dbraw/zinc/42/21/79/569422179.db2.gz OHXJTPSNDORKBB-DJPMOHGLSA-N 0 0 405.347 2.871 50 0 HFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000078970206 569422455 /nfs/dbraw/zinc/42/24/55/569422455.db2.gz KINFFZRRZXVGPW-IVAOSVALSA-N 0 0 420.642 2.772 50 0 HFAARN O=C(CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)Nc1ccc2c[nH]nc2c1 ZINC000079016128 569423892 /nfs/dbraw/zinc/42/38/92/569423892.db2.gz NUPATIRGLNKZBR-UHFFFAOYSA-N 0 0 418.457 2.690 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCc3cccnc3)C2)cc1 ZINC000079021690 569424339 /nfs/dbraw/zinc/42/43/39/569424339.db2.gz YXVBWLHHPXCVMH-LJQANCHMSA-N 0 0 417.531 2.543 50 0 HFAARN CCN1C(=O)[C@@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)CCN2C1=O ZINC000079024826 569424740 /nfs/dbraw/zinc/42/47/40/569424740.db2.gz SPPOECCXLPILTH-JXFKEZNVSA-N 0 0 407.470 2.616 50 0 HFAARN CCO[C@H]1C[C@H](N(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1(CC)CC ZINC000079047864 569425292 /nfs/dbraw/zinc/42/52/92/569425292.db2.gz XXDSZGDVWOWVHL-ROUUACIJSA-N 0 0 417.593 2.914 50 0 HFAARN COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1OC ZINC000079059883 569426156 /nfs/dbraw/zinc/42/61/56/569426156.db2.gz DSAWGRFJXXZGQF-IBGZPJMESA-N 0 0 411.502 2.594 50 0 HFAARN CC(C)[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)N1CCOCC1 ZINC000079059574 569426217 /nfs/dbraw/zinc/42/62/17/569426217.db2.gz HCCRLEXOOBFATE-QGZVFWFLSA-N 0 0 407.559 2.941 50 0 HFAARN O=C(CN1CCOc2ccc(F)cc21)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000079074800 569426974 /nfs/dbraw/zinc/42/69/74/569426974.db2.gz BHQJOYPNCAZSJA-UHFFFAOYSA-N 0 0 415.490 2.852 50 0 HFAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)OCC(C)(C)C)c1 ZINC000079110447 569428031 /nfs/dbraw/zinc/42/80/31/569428031.db2.gz NKVZPIJETDYBJI-UHFFFAOYSA-N 0 0 408.314 2.577 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)CN2c3ccccc3C(=O)N3CCCC[C@@H]3C2=O)c1 ZINC000079477162 569431542 /nfs/dbraw/zinc/43/15/42/569431542.db2.gz BWDJJSJTBKXIAH-HXUWFJFHSA-N 0 0 420.469 2.625 50 0 HFAARN 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HFAARN CC[C@@H](C)C(=O)N1CCN(c2ncccc2C(=O)NCc2ccc(OC)cc2)CC1 ZINC000022632911 557298960 /nfs/dbraw/zinc/29/89/60/557298960.db2.gz DJYYLCLUORVXNP-QGZVFWFLSA-N 0 0 410.518 2.715 50 0 HFAARN COC(=O)c1ccc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 ZINC000002064716 557305602 /nfs/dbraw/zinc/30/56/02/557305602.db2.gz LKANWVCGCYCLQL-QGZVFWFLSA-N 0 0 412.467 2.830 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)[C@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000002094341 557313101 /nfs/dbraw/zinc/31/31/01/557313101.db2.gz QRZNNXHVRRVPLD-YLJYHZDGSA-N 0 0 408.410 2.662 50 0 HFAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1 ZINC000002142296 557318336 /nfs/dbraw/zinc/31/83/36/557318336.db2.gz FCHQPSOYILCPQY-UHFFFAOYSA-N 0 0 407.513 2.861 50 0 HFAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000002396619 557344428 /nfs/dbraw/zinc/34/44/28/557344428.db2.gz BRSULRJURUMZSF-UHFFFAOYSA-N 0 0 401.448 2.773 50 0 HFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC)cc3)N2C1=O ZINC000002463529 557350504 /nfs/dbraw/zinc/35/05/04/557350504.db2.gz KCUXFHWIOWANAY-RDJZCZTQSA-N 0 0 404.488 2.924 50 0 HFAARN CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 ZINC000002706944 557369342 /nfs/dbraw/zinc/36/93/42/557369342.db2.gz DRAXLEMSSCTXGB-NSHDSACASA-N 0 0 415.705 2.713 50 0 HFAARN CCn1c(=O)c2c(ncn2CC(=O)c2ccc(C)cc2)n(-c2ccc(F)cc2F)c1=O ZINC000034693208 557374206 /nfs/dbraw/zinc/37/42/06/557374206.db2.gz LECHKNORELQWOM-UHFFFAOYSA-N 0 0 424.407 2.838 50 0 HFAARN COc1cccc(-n2c3ncn(Cc4cccc(F)c4)c3c(=O)n(C3CC3)c2=O)c1 ZINC000034693328 557374591 /nfs/dbraw/zinc/37/45/91/557374591.db2.gz DJNDBNJAEBWMPD-UHFFFAOYSA-N 0 0 406.417 2.880 50 0 HFAARN Cc1ccccc1Cn1cnc2c1c(=O)n(C[C@H]1CCCO1)c(=O)n2-c1ccccc1 ZINC000034693440 557374846 /nfs/dbraw/zinc/37/48/46/557374846.db2.gz QEWNRBGVKOEKIE-HXUWFJFHSA-N 0 0 416.481 2.885 50 0 HFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(C1CCCC1)c(=O)n2-c1cccc(F)c1 ZINC000034693545 557376156 /nfs/dbraw/zinc/37/61/56/557376156.db2.gz HXZMKQJERPFZHX-CYBMUJFWSA-N 0 0 414.437 2.727 50 0 HFAARN CCSc1nnc(NC(=O)CCC(=O)Nc2nnc(SCC)s2)s1 ZINC000002750453 557379015 /nfs/dbraw/zinc/37/90/15/557379015.db2.gz GAESDXLCKJOHFF-UHFFFAOYSA-N 0 0 404.568 2.971 50 0 HFAARN Cn1ncc(I)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002768010 557382952 /nfs/dbraw/zinc/38/29/52/557382952.db2.gz SEMWQTUSBULCHQ-UHFFFAOYSA-N 0 0 417.075 2.973 50 0 HFAARN Cc1cccc(N2CCN(Cc3nc(C(=O)NCCc4ccccn4)co3)CC2)c1C ZINC000034684909 557387871 /nfs/dbraw/zinc/38/78/71/557387871.db2.gz BWXMSIAREBDOIY-UHFFFAOYSA-N 0 0 419.529 2.981 50 0 HFAARN CSc1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000002839673 557400380 /nfs/dbraw/zinc/40/03/80/557400380.db2.gz GTYREEGFVNIBKP-UHFFFAOYSA-N 0 0 408.501 2.584 50 0 HFAARN COC(=O)c1sc(NC(=S)NCc2ccc3c(c2)OCO3)c(C(=O)OC)c1C ZINC000002859142 557408926 /nfs/dbraw/zinc/40/89/26/557408926.db2.gz CASVBRRQZDWODY-UHFFFAOYSA-N 0 0 422.484 2.845 50 0 HFAARN COCCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000002861426 557410289 /nfs/dbraw/zinc/41/02/89/557410289.db2.gz MJBPANNHTGICHA-UHFFFAOYSA-N 0 0 416.421 2.560 50 0 HFAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)cc1OC ZINC000002872273 557415403 /nfs/dbraw/zinc/41/54/03/557415403.db2.gz RIIYMTKJORVDNL-HXUWFJFHSA-N 0 0 407.488 2.628 50 0 HFAARN CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(OCc2ccccc2)cc1 ZINC000002872339 557415445 /nfs/dbraw/zinc/41/54/45/557415445.db2.gz ZKBNVPAICOHKMC-UHFFFAOYSA-N 0 0 414.483 2.941 50 0 HFAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002873901 557415976 /nfs/dbraw/zinc/41/59/76/557415976.db2.gz UOGZQGRYLRMGAQ-LBPRGKRZSA-N 0 0 410.879 2.904 50 0 HFAARN CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000002875682 557416709 /nfs/dbraw/zinc/41/67/09/557416709.db2.gz SEZJVZFQZMDKMR-INIZCTEOSA-N 0 0 406.504 2.798 50 0 HFAARN CCCc1ccccc1OCCNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000002875658 557416763 /nfs/dbraw/zinc/41/67/63/557416763.db2.gz HUUHIQFBWJWROJ-UHFFFAOYSA-N 0 0 404.532 2.675 50 0 HFAARN COCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002961389 557431448 /nfs/dbraw/zinc/43/14/48/557431448.db2.gz BJOGCZWOSCXGEJ-UHFFFAOYSA-N 0 0 417.314 2.951 50 0 HFAARN COCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002967156 557432187 /nfs/dbraw/zinc/43/21/87/557432187.db2.gz XAPICUROBPEPBN-UHFFFAOYSA-N 0 0 417.314 2.951 50 0 HFAARN COc1cc(OC)cc([C@@H]2[C@H](S(=O)(=O)N[C@H](C)c3ccccc3)CON2C)c1 ZINC000034738722 557448809 /nfs/dbraw/zinc/44/88/09/557448809.db2.gz PJZARMGCMNKKRU-JSNMRZPZSA-N 0 0 406.504 2.671 50 0 HFAARN O=S(=O)(c1ccccc1)N1CCN(Cc2noc(-c3ccccc3Cl)n2)CC1 ZINC000034904954 557472999 /nfs/dbraw/zinc/47/29/99/557472999.db2.gz PLFGZMXZYOJBAD-UHFFFAOYSA-N 0 0 418.906 2.897 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)c(C)c1 ZINC000034857621 557477792 /nfs/dbraw/zinc/47/77/92/557477792.db2.gz UFIXHRCOCOFUCK-PXNSSMCTSA-N 0 0 421.607 2.613 50 0 HFAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000034900436 557481177 /nfs/dbraw/zinc/48/11/77/557481177.db2.gz VADHCRNBJCIAFJ-HMXCVIKNSA-N 0 0 411.546 2.801 50 0 HFAARN COCCNC(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916999 557482828 /nfs/dbraw/zinc/48/28/28/557482828.db2.gz VXVBWVLAFWTYDE-NSHDSACASA-N 0 0 412.330 2.835 50 0 HFAARN CCc1cc2c(C)cc(=O)oc2cc1O[C@@H](C)C(=O)N[C@H](CCSC)C(=O)OC ZINC000003471484 557489229 /nfs/dbraw/zinc/48/92/29/557489229.db2.gz FKBIMYKSGZVXQT-XJKSGUPXSA-N 0 0 421.515 2.842 50 0 HFAARN COc1cccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000003612140 557494456 /nfs/dbraw/zinc/49/44/56/557494456.db2.gz YPDNOLKVOHTGCF-BLVKFPJESA-N 0 0 421.375 2.997 50 0 HFAARN CC(C)Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1 ZINC000004058371 557507872 /nfs/dbraw/zinc/50/78/72/557507872.db2.gz MOXSXSBAARTUGT-UHFFFAOYSA-N 0 0 416.532 2.596 50 0 HFAARN COc1cccc(C2=NO[C@H](C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c1OC ZINC000004101188 557513441 /nfs/dbraw/zinc/51/34/41/557513441.db2.gz YGWFWAPUTWVGDK-SFHVURJKSA-N 0 0 416.430 2.861 50 0 HFAARN Cc1ccc(C(O)=C2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163671 557522467 /nfs/dbraw/zinc/52/24/67/557522467.db2.gz HRMXAWGZWPUXLM-GPMSIDNRSA-N 0 0 422.359 2.828 50 0 HFAARN Cc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004247656 557531865 /nfs/dbraw/zinc/53/18/65/557531865.db2.gz KRBJHGREQHEGSR-UHFFFAOYSA-N 0 0 402.925 2.738 50 0 HFAARN CCOC(=O)c1cc(I)c(N)c(I)c1 ZINC000004272096 557534392 /nfs/dbraw/zinc/53/43/92/557534392.db2.gz IFLWBYIITJOICR-UHFFFAOYSA-N 0 0 416.984 2.655 50 0 HFAARN Cn1c(Cc2ccsc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004334297 557543078 /nfs/dbraw/zinc/54/30/78/557543078.db2.gz FNAUZYLYZCYZRB-UHFFFAOYSA-N 0 0 402.501 2.969 50 0 HFAARN O=C(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004393887 557551493 /nfs/dbraw/zinc/55/14/93/557551493.db2.gz ODVIQAMYOJFGSG-UHFFFAOYSA-N 0 0 412.414 2.561 50 0 HFAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000004411333 557552772 /nfs/dbraw/zinc/55/27/72/557552772.db2.gz AZCNJEFLSOQGST-RYLQBCMBSA-N 0 0 404.503 2.641 50 0 HFAARN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cccc(OC)c1OCc1ccccc1 ZINC000004502618 557560695 /nfs/dbraw/zinc/56/06/95/557560695.db2.gz OXLXSNPKADFAIC-GOSISDBHSA-N 0 0 407.430 2.723 50 0 HFAARN COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000004520180 557563085 /nfs/dbraw/zinc/56/30/85/557563085.db2.gz LFWSHBVSHBRPAV-IBGZPJMESA-N 0 0 411.458 2.816 50 0 HFAARN C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000004552699 557566375 /nfs/dbraw/zinc/56/63/75/557566375.db2.gz AFRRCXZKHXCBMJ-UZLBHIALSA-N 0 0 418.515 2.929 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1cccc(Cl)c1Cl ZINC000004655565 557576492 /nfs/dbraw/zinc/57/64/92/557576492.db2.gz RWNFBLUKYUYNMO-LBPRGKRZSA-N 0 0 412.225 2.697 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000004700440 557583652 /nfs/dbraw/zinc/58/36/52/557583652.db2.gz XYNYUZDJIUXTAT-UHFFFAOYSA-N 0 0 406.460 2.707 50 0 HFAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(I)cc1 ZINC000004756277 557594222 /nfs/dbraw/zinc/59/42/22/557594222.db2.gz MMZAYRBFBSTFQE-UHFFFAOYSA-N 0 0 410.215 2.946 50 0 HFAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCCCOC)cc1 ZINC000004785094 557597997 /nfs/dbraw/zinc/59/79/97/557597997.db2.gz MYYPRBFFYGGTEL-IBGZPJMESA-N 0 0 406.504 2.798 50 0 HFAARN COc1cc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc(OC)c1OC ZINC000004813502 557601046 /nfs/dbraw/zinc/60/10/46/557601046.db2.gz ZVIKGOLIUGVMCK-KRWDZBQOSA-N 0 0 414.458 2.874 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000004838602 557604899 /nfs/dbraw/zinc/60/48/99/557604899.db2.gz HUZHMAUCVLUFKA-OCCSQVGLSA-N 0 0 421.346 2.689 50 0 HFAARN COc1cc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OCc1ccccc1C ZINC000004944806 557615740 /nfs/dbraw/zinc/61/57/40/557615740.db2.gz RYMXWPBJLBJLOJ-HNNXBMFYSA-N 0 0 406.442 2.722 50 0 HFAARN COC[C@H](C)N1C[C@@H](C(=O)Nc2nnc(CSCc3ccccc3)s2)CC1=O ZINC000004976006 557619505 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Cn1nccc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 ZINC000014747687 558669726 /nfs/dbraw/zinc/66/97/26/558669726.db2.gz OAOFANQWTQZQSX-FQEVSTJZSA-N 0 0 410.518 2.623 50 0 HFAARN CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3Cl)CN2C1=O ZINC000014749579 558670418 /nfs/dbraw/zinc/67/04/18/558670418.db2.gz CFYGJRPEICHLJX-BPNCWPANSA-N 0 0 413.305 2.629 50 0 HFAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@@H]3c3nnc4ccccn43)cnc12 ZINC000027160905 558670467 /nfs/dbraw/zinc/67/04/67/558670467.db2.gz RQPAVWCSNBGEJV-GOSISDBHSA-N 0 0 416.485 2.892 50 0 HFAARN COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ccc(O)cc1)CC2 ZINC000014754172 558671531 /nfs/dbraw/zinc/67/15/31/558671531.db2.gz AJUPYPQRKUYBCY-UHFFFAOYSA-N 0 0 400.523 2.569 50 0 HFAARN Cc1ccn2c(=O)cc(COC(=O)C(O)(c3ccccc3)c3ccccc3)nc2c1 ZINC000014758774 558672059 /nfs/dbraw/zinc/67/20/59/558672059.db2.gz ISBCQZRASNWWPD-UHFFFAOYSA-N 0 0 400.434 2.982 50 0 HFAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1 ZINC000014795847 558673132 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CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc21 ZINC000028403988 558699961 /nfs/dbraw/zinc/69/99/61/558699961.db2.gz SKAUVTMTUWGDRA-UHFFFAOYSA-N 0 0 407.382 2.720 50 0 HFAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000072277577 558703664 /nfs/dbraw/zinc/70/36/64/558703664.db2.gz MYVQOXKBJOFJEJ-RDJZCZTQSA-N 0 0 411.340 2.930 50 0 HFAARN CN(CCCC(=O)OCc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cccs1 ZINC000011032816 558704305 /nfs/dbraw/zinc/70/43/05/558704305.db2.gz YASINWRXLWEPAU-UHFFFAOYSA-N 0 0 421.500 2.942 50 0 HFAARN Cc1cccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2cccc(OC(F)F)c2)c1 ZINC000028846602 558706236 /nfs/dbraw/zinc/70/62/36/558706236.db2.gz ANXVGPNGLJOAHW-CYBMUJFWSA-N 0 0 406.385 2.897 50 0 HFAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1OC ZINC000028874890 558706420 /nfs/dbraw/zinc/70/64/20/558706420.db2.gz OGMAHGDKWOKSSX-FQEVSTJZSA-N 0 0 408.498 2.680 50 0 HFAARN CC(C)c1ccc(CCNC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)cc1 ZINC000028909678 558707032 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COC[C@@H](C)n1c(C)cc(C(=O)Cn2c3ccccc3nc2S(C)(=O)=O)c1C ZINC000015374773 558736274 /nfs/dbraw/zinc/73/62/74/558736274.db2.gz OUUKHWOPHFVYGU-CQSZACIVSA-N 0 0 403.504 2.948 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2c(F)cccc2F)cc1 ZINC000004569413 558737549 /nfs/dbraw/zinc/73/75/49/558737549.db2.gz JSDJNCBKCITVRA-CYBMUJFWSA-N 0 0 410.442 2.557 50 0 HFAARN Cc1noc2ncc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc12 ZINC000030802573 558738297 /nfs/dbraw/zinc/73/82/97/558738297.db2.gz KFBOOXLGGXJPNJ-UHFFFAOYSA-N 0 0 403.236 2.971 50 0 HFAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@H]1CCS(=O)(=O)C1 ZINC000032900159 558741983 /nfs/dbraw/zinc/74/19/83/558741983.db2.gz UJFWJBWYDLBXLY-LBPRGKRZSA-N 0 0 404.435 2.675 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000015543885 558743111 /nfs/dbraw/zinc/74/31/11/558743111.db2.gz XUXLFTDOVVNPHG-UHFFFAOYSA-N 0 0 400.523 2.698 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2sccc2[C@H]1C ZINC000015547589 558743350 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COc1ccccc1OCCN1c2ccccc2[C@](O)(CC(=O)c2cccnc2)C1=O ZINC000068713412 558864530 /nfs/dbraw/zinc/86/45/30/558864530.db2.gz RMVYWTNUVLELHN-XMMPIXPASA-N 0 0 418.449 2.976 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000033089052 558871727 /nfs/dbraw/zinc/87/17/27/558871727.db2.gz OVDIEAFDAMTWOW-UHFFFAOYSA-N 0 0 408.410 2.614 50 0 HFAARN Cc1ccccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)NCc1ccccc1 ZINC000004659823 558873285 /nfs/dbraw/zinc/87/32/85/558873285.db2.gz CDDAGORGAHRANK-UHFFFAOYSA-N 0 0 405.483 2.826 50 0 HFAARN NC(=O)COc1ccccc1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055133006 558873873 /nfs/dbraw/zinc/87/38/73/558873873.db2.gz KOCOCIYZPNKVDA-UHFFFAOYSA-N 0 0 405.454 2.877 50 0 HFAARN CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4OC)n3)c2C)CC1 ZINC000055225304 558876496 /nfs/dbraw/zinc/87/64/96/558876496.db2.gz LJTHXJZVGLRJIA-UHFFFAOYSA-N 0 0 420.517 2.814 50 0 HFAARN COc1ccc(C(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)c(OC)c1 ZINC000013797151 558879273 /nfs/dbraw/zinc/87/92/73/558879273.db2.gz PWDBAHOQGQTMEE-UHFFFAOYSA-N 0 0 411.433 2.887 50 0 HFAARN CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21 ZINC000004670039 558880613 /nfs/dbraw/zinc/88/06/13/558880613.db2.gz BSWQQEUQOFSNFJ-HNNXBMFYSA-N 0 0 419.547 2.725 50 0 HFAARN Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)sc1C ZINC000055386381 558880807 /nfs/dbraw/zinc/88/08/07/558880807.db2.gz AQFNJHKKMVXPOK-INIZCTEOSA-N 0 0 424.929 2.559 50 0 HFAARN CC[C@H](C)NC(=O)N1CCN(Cc2nc3cc(C(=O)N(CC)CC)ccc3o2)CC1 ZINC000033127478 558880887 /nfs/dbraw/zinc/88/08/87/558880887.db2.gz IYOBNHSJDRHGLV-INIZCTEOSA-N 0 0 415.538 2.936 50 0 HFAARN CCc1cccc(NC(=O)CN2CCN(Cc3ccccc3Cl)S2(=O)=O)c1 ZINC000033045548 558882681 /nfs/dbraw/zinc/88/26/81/558882681.db2.gz PCIJEKODROERFK-UHFFFAOYSA-N 0 0 407.923 2.904 50 0 HFAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc1OC ZINC000033124850 558883035 /nfs/dbraw/zinc/88/30/35/558883035.db2.gz OQAOZLKDKFPYDH-CYBMUJFWSA-N 0 0 413.405 2.795 50 0 HFAARN COc1ccc(OC)c(CNC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033125182 558883248 /nfs/dbraw/zinc/88/32/48/558883248.db2.gz QXTCVPCYUVFLFS-UHFFFAOYSA-N 0 0 423.469 2.562 50 0 HFAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)N2CCOCC2)cc1 ZINC000033047822 558883569 /nfs/dbraw/zinc/88/35/69/558883569.db2.gz MULFYAIYCUVIBP-JOCHJYFZSA-N 0 0 416.543 2.536 50 0 HFAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCC3)N2CCOCC2)cc1 ZINC000033047824 558883673 /nfs/dbraw/zinc/88/36/73/558883673.db2.gz MULFYAIYCUVIBP-QFIPXVFZSA-N 0 0 416.543 2.536 50 0 HFAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CC3)c2=O)c1 ZINC000033141627 558893316 /nfs/dbraw/zinc/89/33/16/558893316.db2.gz NLWXPQOQTNBNAR-UHFFFAOYSA-N 0 0 404.470 2.555 50 0 HFAARN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000058003587 558894052 /nfs/dbraw/zinc/89/40/52/558894052.db2.gz ZREXCRJXWCHRSH-PLSXKVAHSA-N 0 0 405.472 2.930 50 0 HFAARN CCc1ccc(S(=O)(=O)N(c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000058004289 558894220 /nfs/dbraw/zinc/89/42/20/558894220.db2.gz UTDDOCNEYJNLMG-KRWDZBQOSA-N 0 0 409.529 2.640 50 0 HFAARN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000058009123 558894893 /nfs/dbraw/zinc/89/48/93/558894893.db2.gz VPKXEVHHBKGCDB-UHFFFAOYSA-N 0 0 420.487 2.521 50 0 HFAARN Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)c1 ZINC000058012997 558895114 /nfs/dbraw/zinc/89/51/14/558895114.db2.gz IHNTWIYQEZAMGF-GBXCKJPGSA-N 0 0 408.498 2.999 50 0 HFAARN CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)C1CC1)C(F)(F)F ZINC000004685897 558895247 /nfs/dbraw/zinc/89/52/47/558895247.db2.gz WWJGYMXZQSOJJD-GOSISDBHSA-N 0 0 402.413 2.826 50 0 HFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(F)ccc1N(Cc1ccccc1)C2=O ZINC000004686455 558895609 /nfs/dbraw/zinc/89/56/09/558895609.db2.gz WJBZMGSKVZYUCP-FQEVSTJZSA-N 0 0 412.446 2.528 50 0 HFAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000058018315 558895685 /nfs/dbraw/zinc/89/56/85/558895685.db2.gz VIJGNJCNJASXQW-GOSISDBHSA-N 0 0 410.517 2.593 50 0 HFAARN COC(=O)c1cn(C(C)C)cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1=O ZINC000071388663 558897388 /nfs/dbraw/zinc/89/73/88/558897388.db2.gz GFOMAJNXVPGWTB-GOSISDBHSA-N 0 0 402.422 2.569 50 0 HFAARN COC(=O)c1cn(C(C)C)cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1=O ZINC000071388662 558897400 /nfs/dbraw/zinc/89/74/00/558897400.db2.gz GFOMAJNXVPGWTB-SFHVURJKSA-N 0 0 402.422 2.569 50 0 HFAARN O=C(NCCCN1CCc2ccccc21)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058063306 558897588 /nfs/dbraw/zinc/89/75/88/558897588.db2.gz MFBGOTUJVFTODL-UHFFFAOYSA-N 0 0 403.486 2.866 50 0 HFAARN O=C(NCCCn1nc2ccccn2c1=O)Nc1nnc(C2CCCCC2)s1 ZINC000058082474 558898056 /nfs/dbraw/zinc/89/80/56/558898056.db2.gz YFXNXBUCOKYQJO-UHFFFAOYSA-N 0 0 401.496 2.607 50 0 HFAARN O=C(NCCCS(=O)(=O)Cc1ccccc1)Nc1cccc(N2CCOC2=O)c1 ZINC000058086234 558898221 /nfs/dbraw/zinc/89/82/21/558898221.db2.gz IWGZHVTXIUVGND-UHFFFAOYSA-N 0 0 417.487 2.770 50 0 HFAARN CCCCCn1c(CCC(=O)N(C)CCC)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000058088290 558898411 /nfs/dbraw/zinc/89/84/11/558898411.db2.gz VCHIGWAHLDHCDW-UHFFFAOYSA-N 0 0 405.543 2.678 50 0 HFAARN O=C(NCCNC(=O)c1cccc(OCc2cccnc2)c1)c1[nH]nc2ccccc21 ZINC000058135203 558900876 /nfs/dbraw/zinc/90/08/76/558900876.db2.gz GYQMUHYPBDLHMH-UHFFFAOYSA-N 0 0 415.453 2.697 50 0 HFAARN C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000058145910 558901761 /nfs/dbraw/zinc/90/17/61/558901761.db2.gz GTOWRSPKSHFDKZ-ZDUSSCGKSA-N 0 0 416.421 2.555 50 0 HFAARN CC(=O)c1ccc(NC(=O)NC2CCN(c3nc4ccccc4n(C)c3=O)CC2)cc1 ZINC000033169677 558903085 /nfs/dbraw/zinc/90/30/85/558903085.db2.gz XZZOCMFAWMLZSY-UHFFFAOYSA-N 0 0 419.485 2.927 50 0 HFAARN O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033170011 558903253 /nfs/dbraw/zinc/90/32/53/558903253.db2.gz TVZJJNOUHQGCSU-UHFFFAOYSA-N 0 0 418.500 2.513 50 0 HFAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)N[C@H](C)Cc4ccco4)n3)n2)cc1 ZINC000033170055 558903334 /nfs/dbraw/zinc/90/33/34/558903334.db2.gz MIGDZJOUJJXXQF-OAHLLOKOSA-N 0 0 419.441 2.604 50 0 HFAARN CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000058158775 558904038 /nfs/dbraw/zinc/90/40/38/558904038.db2.gz CVTPALZLVLQEQB-UHFFFAOYSA-N 0 0 424.545 2.683 50 0 HFAARN C[C@H](NC(=O)NCC(C)(C)C(N)=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000058160314 558905143 /nfs/dbraw/zinc/90/51/43/558905143.db2.gz ALHYIWPKMADOTK-ZDUSSCGKSA-N 0 0 400.454 2.950 50 0 HFAARN CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000004694948 558905745 /nfs/dbraw/zinc/90/57/45/558905745.db2.gz YGHPZEJNOFWSID-UHFFFAOYSA-N 0 0 411.321 2.776 50 0 HFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)c(C)o1 ZINC000033197850 558906822 /nfs/dbraw/zinc/90/68/22/558906822.db2.gz PDAQDAMKWZUILR-UHFFFAOYSA-N 0 0 413.499 2.900 50 0 HFAARN CCOC(=O)NCCC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000058195703 558910894 /nfs/dbraw/zinc/91/08/94/558910894.db2.gz XLSYINMJXDSOAK-INIZCTEOSA-N 0 0 411.458 2.837 50 0 HFAARN COc1cc(NC(=O)[C@H]2C[C@H]2c2cnn(C)c2)c(C(=O)N2CCCCC2)cc1OC ZINC000058214649 558912369 /nfs/dbraw/zinc/91/23/69/558912369.db2.gz MSDBIGXRNUGZEF-HOTGVXAUSA-N 0 0 412.490 2.806 50 0 HFAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCC(=O)NCc1ccncc1 ZINC000058218245 558912808 /nfs/dbraw/zinc/91/28/08/558912808.db2.gz DBQMAGHBILYTAM-UHFFFAOYSA-N 0 0 415.856 2.805 50 0 HFAARN CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000019533872 558913260 /nfs/dbraw/zinc/91/32/60/558913260.db2.gz BMSUQUZOWWHKED-UHFFFAOYSA-N 0 0 404.532 2.909 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)cc1F ZINC000058244351 558914265 /nfs/dbraw/zinc/91/42/65/558914265.db2.gz PDGXRHBSASUOLV-INIZCTEOSA-N 0 0 406.439 2.955 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000058244262 558914316 /nfs/dbraw/zinc/91/43/16/558914316.db2.gz NDSQODWCJSUDMR-HDICACEKSA-N 0 0 422.572 2.776 50 0 HFAARN C[C@@H](NC(=O)CS(=O)(=O)N1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000058244966 558914508 /nfs/dbraw/zinc/91/45/08/558914508.db2.gz KNDPNERAJILFDF-CYBMUJFWSA-N 0 0 408.442 2.824 50 0 HFAARN Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3Cc2ccccc2)cc1C(N)=O ZINC000058246598 558914877 /nfs/dbraw/zinc/91/48/77/558914877.db2.gz BFZVOXXQPXBRMC-UHFFFAOYSA-N 0 0 424.526 2.878 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CNc1ccc(OC)cc1C ZINC000058306354 558918298 /nfs/dbraw/zinc/91/82/98/558918298.db2.gz VFOXBPPMHDZRBF-UHFFFAOYSA-N 0 0 419.503 2.960 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000033254636 558918630 /nfs/dbraw/zinc/91/86/30/558918630.db2.gz XDRVFHDVAAVWBX-UHFFFAOYSA-N 0 0 421.563 2.885 50 0 HFAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)C1 ZINC000033250768 558919370 /nfs/dbraw/zinc/91/93/70/558919370.db2.gz VYWXUNHIPZFKCP-OFAQMXQXSA-N 0 0 421.494 2.829 50 0 HFAARN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2CCN(c3ccccn3)CC2)c1 ZINC000058316752 558919390 /nfs/dbraw/zinc/91/93/90/558919390.db2.gz TXVNSQXBWIVWIV-UHFFFAOYSA-N 0 0 423.922 2.811 50 0 HFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(OC(C)C)cc1 ZINC000058328386 558919830 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COc1cc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2N)cc1Cl ZINC000011186825 558930484 /nfs/dbraw/zinc/93/04/84/558930484.db2.gz GGISHPHZMDRYKO-UHFFFAOYSA-N 0 0 420.878 2.512 50 0 HFAARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1 ZINC000033262117 558930643 /nfs/dbraw/zinc/93/06/43/558930643.db2.gz VLVPDAPUXORNJQ-UHFFFAOYSA-N 0 0 400.460 2.709 50 0 HFAARN O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CC1 ZINC000033262101 558930674 /nfs/dbraw/zinc/93/06/74/558930674.db2.gz AVLPRVPQMAGCDW-UHFFFAOYSA-N 0 0 420.535 2.767 50 0 HFAARN COc1ccc(C(N)=O)cc1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000059285809 558933397 /nfs/dbraw/zinc/93/33/97/558933397.db2.gz BWRRVFPNKYFZPU-UHFFFAOYSA-N 0 0 421.247 2.509 50 0 HFAARN COCCn1cc(C(=O)Nc2nnc([C@H]3CCCO3)s2)c2ccccc2c1=O ZINC000072401877 558936988 /nfs/dbraw/zinc/93/69/88/558936988.db2.gz PQWQQCGBVCLJLX-OAHLLOKOSA-N 0 0 400.460 2.603 50 0 HFAARN NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)c3ccccc23)s1 ZINC000011205005 558947054 /nfs/dbraw/zinc/94/70/54/558947054.db2.gz 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O=C(Nc1cccc(Cn2cccnc2=O)c1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000048085678 568432048 /nfs/dbraw/zinc/43/20/48/568432048.db2.gz PGJHSVTWIYLAPV-NRFANRHFSA-N 0 0 419.485 2.900 50 0 HFAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2csc(-c3cnn(C)c3)n2)cc1 ZINC000048235293 568432853 /nfs/dbraw/zinc/43/28/53/568432853.db2.gz DNSGIIHUDPKMPB-GOSISDBHSA-N 0 0 411.531 2.655 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000048230481 568433315 /nfs/dbraw/zinc/43/33/15/568433315.db2.gz QBPCPKSAAQYWFU-QGZVFWFLSA-N 0 0 419.547 2.986 50 0 HFAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c12 ZINC000048272016 568434043 /nfs/dbraw/zinc/43/40/43/568434043.db2.gz IMYPCAGPWWTLQH-NSHDSACASA-N 0 0 406.364 2.995 50 0 HFAARN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000048250020 568434202 /nfs/dbraw/zinc/43/42/02/568434202.db2.gz YMHVITBXAJMTGC-HXUWFJFHSA-N 0 0 405.506 2.549 50 0 HFAARN O=C(Nc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)C1CCC1 ZINC000048253251 568434393 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CCc1ccc(-n2nnc(C(=O)N3CCC4(CC3)OCCO4)c2-c2ccncc2)cc1 ZINC000049003478 568446453 /nfs/dbraw/zinc/44/64/53/568446453.db2.gz MTMISTHAISSILR-UHFFFAOYSA-N 0 0 419.485 2.871 50 0 biogenic HFAARN Cc1ccccc1COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CO)cc1=O ZINC000012231268 568447109 /nfs/dbraw/zinc/44/71/09/568447109.db2.gz ZDLSZYJGJWWXRI-UHFFFAOYSA-N 0 0 422.437 2.595 50 0 HFAARN CCn1cc(C(=O)NCCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCCCC2)n1 ZINC000049400624 568447573 /nfs/dbraw/zinc/44/75/73/568447573.db2.gz CDQBFHMEBLDHEK-UHFFFAOYSA-N 0 0 424.954 2.704 50 0 HFAARN CCOc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)nn2)cc1 ZINC000049406527 568448926 /nfs/dbraw/zinc/44/89/26/568448926.db2.gz JGCSFEVPXAXUOZ-UHFFFAOYSA-N 0 0 419.485 2.701 50 0 HFAARN Cc1nnc2ccc(S(=O)(=O)N(CC(=O)OC(C)(C)C)c3cccc(C)c3)cn12 ZINC000049408244 568449382 /nfs/dbraw/zinc/44/93/82/568449382.db2.gz FYXOFCBSDFGTKA-UHFFFAOYSA-N 0 0 416.503 2.883 50 0 HFAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000049422324 568450836 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CC(C)(C)c1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cn1 ZINC000095377438 568603345 /nfs/dbraw/zinc/60/33/45/568603345.db2.gz BOHBKZJZFSWERK-JKSUJKDBSA-N 0 0 402.495 2.695 50 0 HFAARN CCOC(=O)c1c(N)sc2c1CCN(CC(=O)Nc1cc(OC)ccc1OC)C2 ZINC000095408893 568606537 /nfs/dbraw/zinc/60/65/37/568606537.db2.gz WPVUBFVHIRVSBC-UHFFFAOYSA-N 0 0 419.503 2.521 50 0 HFAARN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000095427225 568608135 /nfs/dbraw/zinc/60/81/35/568608135.db2.gz IYJHVLPTWOLHKB-INIZCTEOSA-N 0 0 422.913 2.614 50 0 HFAARN C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)n1ccnc1-c1ccccc1 ZINC000095430245 568608983 /nfs/dbraw/zinc/60/89/83/568608983.db2.gz QILKFQQVJBWQRW-PMACEKPBSA-N 0 0 423.561 2.656 50 0 HFAARN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)o1 ZINC000095436625 568609716 /nfs/dbraw/zinc/60/97/16/568609716.db2.gz IMEMNMSTILFCHF-UHFFFAOYSA-N 0 0 407.835 2.653 50 0 HFAARN COCCOCCS(=O)(=O)NCCc1csc(-c2ccccc2Cl)n1 ZINC000095442438 568611032 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CCc1nc2cc(OC)c(OC)cc2c(=O)n1CCNC(=O)c1cccc2[nH]ccc21 ZINC000095472794 568628042 /nfs/dbraw/zinc/62/80/42/568628042.db2.gz PGKHKRJOPZDPNW-UHFFFAOYSA-N 0 0 420.469 2.887 50 0 HFAARN COCc1nn2c(nc(CSCC(=O)Nc3cccc4[nH]ccc43)cc2=O)s1 ZINC000095473038 568628280 /nfs/dbraw/zinc/62/82/80/568628280.db2.gz KBWFEPAJFVNRCV-UHFFFAOYSA-N 0 0 415.500 2.651 50 0 HFAARN COc1ccc2nnc(CCCC(=O)NCCc3nc4ccccc4n3C(C)C)n2n1 ZINC000095474889 568629652 /nfs/dbraw/zinc/62/96/52/568629652.db2.gz LHBMUDBOASLIDR-UHFFFAOYSA-N 0 0 421.505 2.745 50 0 HFAARN CC(C)OCCCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095476779 568630649 /nfs/dbraw/zinc/63/06/49/568630649.db2.gz ZIRPTFMIDFADGN-GFCCVEGCSA-N 0 0 423.311 2.610 50 0 HFAARN COC(=O)CCNC(=O)c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 ZINC000095478541 568631750 /nfs/dbraw/zinc/63/17/50/568631750.db2.gz BOWKPSAUVMYWMS-UHFFFAOYSA-N 0 0 404.344 2.701 50 0 HFAARN O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478604 568632020 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C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(I)cc2)C[C@@H](C)O1 ZINC000021055041 568661204 /nfs/dbraw/zinc/66/12/04/568661204.db2.gz HRWRWWHKJJJIPM-CHWSQXEVSA-N 0 0 416.303 2.909 50 0 HFAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2cc(C(N)=O)ccc21 ZINC000095939626 568661340 /nfs/dbraw/zinc/66/13/40/568661340.db2.gz CJLNDNKNKFBALX-UHFFFAOYSA-N 0 0 409.305 2.998 50 0 HFAARN CCOc1cccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000095944702 568663059 /nfs/dbraw/zinc/66/30/59/568663059.db2.gz WXPIVMVTGQBKPN-UHFFFAOYSA-N 0 0 421.862 2.974 50 0 HFAARN O=C([C@H]1CN(Cc2nccn2Cc2ccccc2)c2ccccc2O1)N1CCOCC1 ZINC000095948706 568665566 /nfs/dbraw/zinc/66/55/66/568665566.db2.gz KSQFPEQMXKZFPA-JOCHJYFZSA-N 0 0 418.497 2.558 50 0 HFAARN O=C([C@@H]1CN(Cc2nccn2Cc2ccccc2)c2ccccc2O1)N1CCOCC1 ZINC000095948707 568665646 /nfs/dbraw/zinc/66/56/46/568665646.db2.gz KSQFPEQMXKZFPA-QFIPXVFZSA-N 0 0 418.497 2.558 50 0 HFAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCc2ccccc2C1 ZINC000095950329 568667406 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COc1ccc(-c2cc3n(n2)[C@H](NCc2ccc(OC)c(OC)c2)CNC3=O)cc1 ZINC000263618681 568912001 /nfs/dbraw/zinc/91/20/01/568912001.db2.gz UYSIXGTZVFPCIV-NRFANRHFSA-N 0 0 408.458 2.608 50 0 HFAARN COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccc5c(c4)OCO5)ccn3n2)c1 ZINC000263618833 568912009 /nfs/dbraw/zinc/91/20/09/568912009.db2.gz VSXCOHDJXQILCG-IBGZPJMESA-N 0 0 405.410 2.634 50 0 HFAARN CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CSc1nnnn1C ZINC000003535361 568913468 /nfs/dbraw/zinc/91/34/68/568913468.db2.gz NZRSEEGABPJSGG-UHFFFAOYSA-N 0 0 421.479 2.985 50 0 HFAARN C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000012699265 568917041 /nfs/dbraw/zinc/91/70/41/568917041.db2.gz HPUDPSFXQQQASM-GJZGRUSLSA-N 0 0 411.458 2.715 50 0 HFAARN Cn1cc(CCC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cn1 ZINC000012715338 568917986 /nfs/dbraw/zinc/91/79/86/568917986.db2.gz DUCVEEAOXQZXDM-QGZVFWFLSA-N 0 0 400.498 2.827 50 0 HFAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O ZINC000003593261 568918373 /nfs/dbraw/zinc/91/83/73/568918373.db2.gz ZEENZTQSYAXDCI-GOSISDBHSA-N 0 0 408.296 2.619 50 0 HFAARN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 ZINC000003595528 568918507 /nfs/dbraw/zinc/91/85/07/568918507.db2.gz QKQMYBJFEIEBFO-HXUWFJFHSA-N 0 0 403.385 2.718 50 0 HFAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NCc1ccco1 ZINC000003599413 568918907 /nfs/dbraw/zinc/91/89/07/568918907.db2.gz NMKDMPXFTZYEBP-QHCPKHFHSA-N 0 0 403.438 2.586 50 0 HFAARN Cc1cn2c(CC(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)csc2n1 ZINC000012732216 568922763 /nfs/dbraw/zinc/92/27/63/568922763.db2.gz KNNBGRURJOASPF-UHFFFAOYSA-N 0 0 406.533 2.753 50 0 HFAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)CN2c3ccc(Cl)cc3C(C)(C)C2=O)C1 ZINC000223193155 568922972 /nfs/dbraw/zinc/92/29/72/568922972.db2.gz ZTPZVCUDLILGTK-CQSZACIVSA-N 0 0 405.926 2.727 50 0 HFAARN COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003661119 568923643 /nfs/dbraw/zinc/92/36/43/568923643.db2.gz XHEMMMGXLBGGBE-NHCUHLMSSA-N 0 0 412.486 2.767 50 0 HFAARN O=C(NC1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000012735323 568924736 /nfs/dbraw/zinc/92/47/36/568924736.db2.gz DBTMDHQTUBEMPK-NSHDSACASA-N 0 0 407.355 2.723 50 0 HFAARN COc1cccc(N2CCN(C(=O)[C@H](NC(=O)c3cccs3)C(C)C)CC2)c1 ZINC000031359527 568924952 /nfs/dbraw/zinc/92/49/52/568924952.db2.gz DYAHMXYZVQWQFW-LJQANCHMSA-N 0 0 401.532 2.860 50 0 HFAARN COCCNC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 ZINC000012736529 568925460 /nfs/dbraw/zinc/92/54/60/568925460.db2.gz HHZUMZKBXOIRQC-UHFFFAOYSA-N 0 0 422.485 2.747 50 0 HFAARN O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(OC(F)F)cc1 ZINC000012739409 568926655 /nfs/dbraw/zinc/92/66/55/568926655.db2.gz BIEMFPABBJBBJG-UHFFFAOYSA-N 0 0 406.385 2.778 50 0 HFAARN COC(=O)c1c2n(c(-c3ccc(Cl)c(Cl)c3)c1C(=O)OC)CS(=O)(=O)C2 ZINC000001403075 568927497 /nfs/dbraw/zinc/92/74/97/568927497.db2.gz GUAKKKUMHGAMEY-UHFFFAOYSA-N 0 0 418.254 2.921 50 0 HFAARN CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H](NC(=O)c1ccco1)C(C)C ZINC000031547761 568927817 /nfs/dbraw/zinc/92/78/17/568927817.db2.gz CGRASYUACLECNP-SFHVURJKSA-N 0 0 403.504 2.853 50 0 HFAARN O=C(COc1ccccc1Br)NCC1(N2CCOCC2)CCCCC1 ZINC000031671179 568929014 /nfs/dbraw/zinc/92/90/14/568929014.db2.gz IYURSUCYAYOLOG-UHFFFAOYSA-N 0 0 411.340 2.979 50 0 HFAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nnc(-c2ccc(C(N)=O)cc2)n1 ZINC000031762589 568930672 /nfs/dbraw/zinc/93/06/72/568930672.db2.gz YGWOHNXLGRPURL-SNVBAGLBSA-N 0 0 404.352 2.658 50 0 HFAARN COc1ccc(CC(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012744366 568930688 /nfs/dbraw/zinc/93/06/88/568930688.db2.gz QGYZXCFYRWJHOO-OAHLLOKOSA-N 0 0 405.520 2.730 50 0 HFAARN COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000003985023 568931169 /nfs/dbraw/zinc/93/11/69/568931169.db2.gz KNUFECHOHCCSDT-UHFFFAOYSA-N 0 0 412.442 2.835 50 0 biogenic HFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(F)c(F)c1)SCC(=O)N2 ZINC000031810529 568932491 /nfs/dbraw/zinc/93/24/91/568932491.db2.gz ZOAIAUHGLBJGPK-HNNXBMFYSA-N 0 0 413.413 2.900 50 0 HFAARN C[C@@H](C(=O)NCc1ccc(-c2ccc(Br)cc2)o1)N1C(=O)CCC1=O ZINC000084001146 568932730 /nfs/dbraw/zinc/93/27/30/568932730.db2.gz AYXJQMSCTCSKFY-NSHDSACASA-N 0 0 405.248 2.863 50 0 HFAARN CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000031825404 568933231 /nfs/dbraw/zinc/93/32/31/568933231.db2.gz PFDHHMIOAWDNRA-MRXNPFEDSA-N 0 0 419.547 2.956 50 0 HFAARN CCOC(=O)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OCC)cc1 ZINC000004023807 568933965 /nfs/dbraw/zinc/93/39/65/568933965.db2.gz FWGADZIZUNJCAU-CAPFRKAQSA-N 0 0 410.470 2.926 50 0 biogenic HFAARN O=C(OCc1ccccc1)N1CCC[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000004043451 568936093 /nfs/dbraw/zinc/93/60/93/568936093.db2.gz CJGDSISGEYIGNY-QKNQBKEWSA-N 0 0 421.497 2.595 50 0 biogenic HFAARN CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N(C)C ZINC000012749369 568936935 /nfs/dbraw/zinc/93/69/35/568936935.db2.gz SFJYVAZRVXKRJA-QGZVFWFLSA-N 0 0 406.529 2.991 50 0 HFAARN O=c1cc(Cc2nnc(SCc3ccccc3)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 ZINC000004061429 568937247 /nfs/dbraw/zinc/93/72/47/568937247.db2.gz OOOHPYMTFVZIGN-UHFFFAOYSA-N 0 0 409.446 2.666 50 0 HFAARN COc1cccc(CNC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)c1 ZINC000004073993 568938056 /nfs/dbraw/zinc/93/80/56/568938056.db2.gz KJWASVCWICIOEP-YCRPNKLZSA-N 0 0 414.483 2.599 50 0 biogenic HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3oc2=O)C1 ZINC000001424330 568938886 /nfs/dbraw/zinc/93/88/86/568938886.db2.gz XRECEPJLUQOAAQ-LLVKDONJSA-N 0 0 408.248 2.971 50 0 HFAARN COc1cc(OC)c2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1 ZINC000004085400 568940094 /nfs/dbraw/zinc/94/00/94/568940094.db2.gz VLMYIFIZULBRAX-UHFFFAOYSA-N 0 0 411.410 2.706 50 0 biogenic HFAARN Cc1nc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)n(C)c2)cs1 ZINC000012751520 568940944 /nfs/dbraw/zinc/94/09/44/568940944.db2.gz NXEWTBXETRWDFB-NSHDSACASA-N 0 0 412.471 2.740 50 0 HFAARN Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)c12 ZINC000012752896 568941606 /nfs/dbraw/zinc/94/16/06/568941606.db2.gz YNRNDLPOGHXHRL-GFCCVEGCSA-N 0 0 423.425 2.999 50 0 HFAARN CC(=O)N[C@H](CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000012755080 568942651 /nfs/dbraw/zinc/94/26/51/568942651.db2.gz WIUBTNFVWGLZAT-GOSISDBHSA-N 0 0 412.877 2.802 50 0 HFAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc3c(c1)OCCO3)C[C@@H](C)S2 ZINC000004101111 568942811 /nfs/dbraw/zinc/94/28/11/568942811.db2.gz KQDQRMNYVOFDJH-LLVKDONJSA-N 0 0 419.528 2.802 50 0 HFAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(F)c1 ZINC000012758573 568943535 /nfs/dbraw/zinc/94/35/35/568943535.db2.gz QVFUAPDZDWNJNW-UHFFFAOYSA-N 0 0 402.451 2.904 50 0 HFAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1F)C[C@H](C)S2 ZINC000004108007 568943764 /nfs/dbraw/zinc/94/37/64/568943764.db2.gz QXJUILXZORZYFQ-NSHDSACASA-N 0 0 409.508 2.796 50 0 HFAARN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCSc1ccc(Br)cc1 ZINC000012759600 568943763 /nfs/dbraw/zinc/94/37/63/568943763.db2.gz QSAXORGOVDLDIX-MRXNPFEDSA-N 0 0 422.348 2.937 50 0 HFAARN COCCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)S[C@@H](C)C2 ZINC000004107993 568943829 /nfs/dbraw/zinc/94/38/29/568943829.db2.gz NTDXJGNBXAWLKD-ZDUSSCGKSA-N 0 0 417.556 2.608 50 0 HFAARN Cc1nc(CCNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)cs1 ZINC000084274656 568945618 /nfs/dbraw/zinc/94/56/18/568945618.db2.gz SXFRGQJXHBCMEW-GOSISDBHSA-N 0 0 423.560 2.715 50 0 HFAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000012761761 568946036 /nfs/dbraw/zinc/94/60/36/568946036.db2.gz NKNBJTJQXQVKFX-UHFFFAOYSA-N 0 0 421.284 2.744 50 0 HFAARN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O ZINC000012762016 568946371 /nfs/dbraw/zinc/94/63/71/568946371.db2.gz HJUHZYQWEAIOBK-SFHVURJKSA-N 0 0 408.296 2.619 50 0 HFAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)[C@@H]1C ZINC000004148760 568946796 /nfs/dbraw/zinc/94/67/96/568946796.db2.gz FHPPXKANOMPQQZ-IIAWOOMASA-N 0 0 420.535 2.564 50 0 HFAARN NC(=O)c1cccc(C[S@](=O)Cc2cc3c(cc2Br)OCCO3)c1 ZINC000084364007 568947434 /nfs/dbraw/zinc/94/74/34/568947434.db2.gz NQOVDCYHPIQQKY-XMMPIXPASA-N 0 0 410.289 2.768 50 0 HFAARN O=C(Nc1ccc(N2CCCC2)nc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000084442247 568949025 /nfs/dbraw/zinc/94/90/25/568949025.db2.gz NIGFWJWEKKHHOE-OAHLLOKOSA-N 0 0 420.560 2.783 50 0 HFAARN Cc1ccc2nc(COc3ccc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)cn2c1 ZINC000012769835 568950786 /nfs/dbraw/zinc/95/07/86/568950786.db2.gz LNLDCLVDJXRYDT-NRFANRHFSA-N 0 0 413.499 2.529 50 0 HFAARN CC[C@@H](c1nnc(SCC(=O)NC[C@@H]2CCCO2)n1Cc1ccccc1)N(C)C ZINC000004195229 568951100 /nfs/dbraw/zinc/95/11/00/568951100.db2.gz JBCJNEFNZROGIW-ROUUACIJSA-N 0 0 417.579 2.726 50 0 HFAARN C[C@H](NC(=O)COC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000004195440 568951240 /nfs/dbraw/zinc/95/12/40/568951240.db2.gz XNOPKSJIWRNHLV-HIGJEIRPSA-N 0 0 402.491 2.664 50 0 HFAARN CNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000004247657 568953464 /nfs/dbraw/zinc/95/34/64/568953464.db2.gz FNCVQYBLVYOHPO-UHFFFAOYSA-N 0 0 416.952 2.998 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/nfs/dbraw/zinc/01/02/11/569010211.db2.gz ZOGULNSPBGQLOL-LBPRGKRZSA-N 0 0 403.560 2.536 50 0 HFAARN C[C@@H](Sc1nnc(N2CCC(C)CC2)n1C1CC1)c1nc(N)nc(N(C)C)n1 ZINC000012849222 569010240 /nfs/dbraw/zinc/01/02/40/569010240.db2.gz ZOGULNSPBGQLOL-GFCCVEGCSA-N 0 0 403.560 2.536 50 0 HFAARN COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000012849408 569010350 /nfs/dbraw/zinc/01/03/50/569010350.db2.gz LYKUDEADOCUBCC-UHFFFAOYSA-N 0 0 402.394 2.939 50 0 HFAARN CC(C)c1noc([C@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000012851389 569010471 /nfs/dbraw/zinc/01/04/71/569010471.db2.gz KTCKUYANQPPRAP-JTQLQIEISA-N 0 0 418.523 2.684 50 0 HFAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000015824177 569011160 /nfs/dbraw/zinc/01/11/60/569011160.db2.gz VSCXOFPHOAXHEB-UHFFFAOYSA-N 0 0 420.882 2.577 50 0 HFAARN Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)o2)cs1 ZINC000012857539 569011265 /nfs/dbraw/zinc/01/12/65/569011265.db2.gz RQMWBEULJYSBHG-UHFFFAOYSA-N 0 0 405.501 2.906 50 0 HFAARN CCOC(=O)[C@@H]1CC2=C(C[C@H]1C(=O)OCC)C[C@H](C(=O)OCC)[C@@H](C(=O)OCC)C2 ZINC000043763036 569012921 /nfs/dbraw/zinc/01/29/21/569012921.db2.gz YNQKNULDIXEKQJ-BALXVJCKSA-N 0 0 424.490 2.588 50 0 HFAARN CCN(CCc1ccncc1)C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000015858231 569014750 /nfs/dbraw/zinc/01/47/50/569014750.db2.gz KQWWXYZPOWIPRP-UHFFFAOYSA-N 0 0 421.906 2.506 50 0 HFAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc(Br)o1 ZINC000015864799 569016618 /nfs/dbraw/zinc/01/66/18/569016618.db2.gz OOTHUHMQLVWOKJ-UHFFFAOYSA-N 0 0 415.265 2.843 50 0 HFAARN COCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000015868650 569017392 /nfs/dbraw/zinc/01/73/92/569017392.db2.gz NYBCLINWFXGYCS-HNNXBMFYSA-N 0 0 401.507 2.818 50 0 HFAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1F ZINC000015883471 569019349 /nfs/dbraw/zinc/01/93/49/569019349.db2.gz OACRTJIALOJQMS-UHFFFAOYSA-N 0 0 416.478 2.626 50 0 HFAARN COc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(OC)c1 ZINC000012887628 569019652 /nfs/dbraw/zinc/01/96/52/569019652.db2.gz QHRCRNYWDATKBZ-UHFFFAOYSA-N 0 0 403.523 2.757 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3F)CC2)c(C)c1 ZINC000012902631 569020662 /nfs/dbraw/zinc/02/06/62/569020662.db2.gz YOMOQBPSGDRJEM-UHFFFAOYSA-N 0 0 419.522 2.701 50 0 HFAARN COCCNC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012902400 569020679 /nfs/dbraw/zinc/02/06/79/569020679.db2.gz SJYBRVTURSNVKS-UHFFFAOYSA-N 0 0 403.475 2.909 50 0 biogenic HFAARN COc1ccc(OC)c(C(=O)COC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000019483232 569020780 /nfs/dbraw/zinc/02/07/80/569020780.db2.gz YRKUJISQKRPVOV-UHFFFAOYSA-N 0 0 401.415 2.575 50 0 HFAARN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Br)ccc1F ZINC000012912019 569021846 /nfs/dbraw/zinc/02/18/46/569021846.db2.gz SHMUJGDYGCMEFX-UHFFFAOYSA-N 0 0 421.266 2.991 50 0 HFAARN O=C(CN1C(=O)c2ccccc2C1=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000012912670 569021917 /nfs/dbraw/zinc/02/19/17/569021917.db2.gz HNWQHCZJGXCHEO-OAHLLOKOSA-N 0 0 417.343 2.589 50 0 HFAARN COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3c(C)ccc(C)c3C)C2=O)c1 ZINC000012916583 569022343 /nfs/dbraw/zinc/02/23/43/569022343.db2.gz CNWKIRQIYVWGCU-JPYJTQIMSA-N 0 0 412.486 2.827 50 0 HFAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000012915948 569022575 /nfs/dbraw/zinc/02/25/75/569022575.db2.gz CEESBFBRJHWTTG-YADHBBJMSA-N 0 0 420.513 2.713 50 0 HFAARN CS(=O)(=O)c1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000012920094 569022920 /nfs/dbraw/zinc/02/29/20/569022920.db2.gz LQCIGPLEPKPDSV-MRXNPFEDSA-N 0 0 408.545 2.771 50 0 HFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2C)CC1 ZINC000012920302 569022985 /nfs/dbraw/zinc/02/29/85/569022985.db2.gz MYSRBSGBPRJARZ-AWEZNQCLSA-N 0 0 402.520 2.764 50 0 HFAARN Cc1nc2ncnn2c(C)c1CC(=O)NCCSc1ccc(Br)cc1 ZINC000012920708 569022988 /nfs/dbraw/zinc/02/29/88/569022988.db2.gz NZRPXRQHVZFPGD-UHFFFAOYSA-N 0 0 420.336 2.955 50 0 HFAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012921071 569023169 /nfs/dbraw/zinc/02/31/69/569023169.db2.gz RMOAYRZLJXULML-UHFFFAOYSA-N 0 0 411.289 2.793 50 0 HFAARN O=C(c1ccc(F)cc1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000012925903 569023727 /nfs/dbraw/zinc/02/37/27/569023727.db2.gz OQHVRFMHXMUXRL-UHFFFAOYSA-N 0 0 400.841 2.674 50 0 HFAARN C[C@@H](SCc1csc(-c2ccc(F)cc2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012928079 569024086 /nfs/dbraw/zinc/02/40/86/569024086.db2.gz YZNHUFKGOVDGTG-BXUZGUMPSA-N 0 0 414.549 2.874 50 0 HFAARN CN1c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2C(C)(C)C1=O ZINC000015941903 569024185 /nfs/dbraw/zinc/02/41/85/569024185.db2.gz FDMHZUKOVVPPCB-UHFFFAOYSA-N 0 0 417.506 2.591 50 0 HFAARN NC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000015952030 569024536 /nfs/dbraw/zinc/02/45/36/569024536.db2.gz OQVWBMIVIGNWNU-UHFFFAOYSA-N 0 0 421.478 2.789 50 0 HFAARN Cc1nc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)sc1C(=O)N(C)C ZINC000575413812 569024990 /nfs/dbraw/zinc/02/49/90/569024990.db2.gz KQRLDIGZYYNYIL-UHFFFAOYSA-N 0 0 422.514 2.685 50 0 HFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)COCc2ccc(OC)cc2)C1=O ZINC000012934973 569026236 /nfs/dbraw/zinc/02/62/36/569026236.db2.gz NUXUJVBKZLPKDD-XXBNENTESA-N 0 0 412.486 2.820 50 0 HFAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1 ZINC000012937088 569027411 /nfs/dbraw/zinc/02/74/11/569027411.db2.gz XGKBGTPARNEMDL-HXUWFJFHSA-N 0 0 411.506 2.705 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c(C)c1 ZINC000016055749 569028455 /nfs/dbraw/zinc/02/84/55/569028455.db2.gz VAAPKDGCXWOXDT-UHFFFAOYSA-N 0 0 424.526 2.840 50 0 HFAARN CN(Cc1ccc(C(N)=O)cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012944073 569028860 /nfs/dbraw/zinc/02/88/60/569028860.db2.gz ALOIAAFSYWXDHU-UHFFFAOYSA-N 0 0 408.502 2.753 50 0 HFAARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)s1 ZINC000012943837 569028866 /nfs/dbraw/zinc/02/88/66/569028866.db2.gz VCXFHDLHHOVXNO-NSHDSACASA-N 0 0 404.444 2.544 50 0 HFAARN Cc1cc(Br)ccc1N1C[C@H](C(=O)Nc2ccc(C(N)=O)cc2)CC1=O ZINC000012945786 569029105 /nfs/dbraw/zinc/02/91/05/569029105.db2.gz CGMUCNDWSWCVAY-CYBMUJFWSA-N 0 0 416.275 2.848 50 0 HFAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012946461 569029151 /nfs/dbraw/zinc/02/91/51/569029151.db2.gz KVFBDMPYRXPHAV-SFHVURJKSA-N 0 0 420.918 2.778 50 0 HFAARN Cc1cc(C)cc(OCCN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 ZINC000012949332 569029368 /nfs/dbraw/zinc/02/93/68/569029368.db2.gz GDCYDGVRDDZEOW-UHFFFAOYSA-N 0 0 402.539 2.933 50 0 HFAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1 ZINC000016047298 569030015 /nfs/dbraw/zinc/03/00/15/569030015.db2.gz YCHJFBZDQFEBSN-VPZZIHKRSA-N 0 0 422.323 2.721 50 0 HFAARN O=C1N[C@H](c2ccc3ncccc3c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000006189657 569030174 /nfs/dbraw/zinc/03/01/74/569030174.db2.gz XWXKKXXUMRPDTL-FCEWJHQRSA-N 0 0 416.359 2.734 50 0 HFAARN CCOC(=O)c1sc(NC(=O)CNCc2ccccn2)c(C(=O)OCC)c1C ZINC000053387404 569030472 /nfs/dbraw/zinc/03/04/72/569030472.db2.gz HKJUYDIDBIUBLJ-UHFFFAOYSA-N 0 0 405.476 2.533 50 0 HFAARN Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000053517035 569031215 /nfs/dbraw/zinc/03/12/15/569031215.db2.gz BUTZRDYCRZUIBM-CQSZACIVSA-N 0 0 413.909 2.967 50 0 HFAARN COC(=O)c1ccc(COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)N(C)C)cc2)cc1 ZINC000006202426 569032028 /nfs/dbraw/zinc/03/20/28/569032028.db2.gz MAQNIKAHHUYOCD-HXUWFJFHSA-N 0 0 423.469 2.768 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC000117654944 569032235 /nfs/dbraw/zinc/03/22/35/569032235.db2.gz CNGYZSSFTAJAJS-IBGZPJMESA-N 0 0 407.470 2.567 50 0 HFAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1 ZINC000035325298 569032552 /nfs/dbraw/zinc/03/25/52/569032552.db2.gz BUMNINPTHMKDFN-KRWDZBQOSA-N 0 0 423.579 2.927 50 0 HFAARN Cn1nc(-c2cccs2)cc1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C ZINC000575613244 569032616 /nfs/dbraw/zinc/03/26/16/569032616.db2.gz QJJWXFHJTXGOIL-UHFFFAOYSA-N 0 0 421.479 2.671 50 0 HFAARN CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(OC)c1 ZINC000006203761 569032791 /nfs/dbraw/zinc/03/27/91/569032791.db2.gz ZNFSWLAMPXWECJ-UHFFFAOYSA-N 0 0 400.508 2.553 50 0 HFAARN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000006206651 569033023 /nfs/dbraw/zinc/03/30/23/569033023.db2.gz DIMRZIVYBGEWTB-CROMWVBPSA-N 0 0 405.429 2.565 50 0 HFAARN Cc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(C)c(C)c3)cc(=O)oc2c1 ZINC000006206863 569033067 /nfs/dbraw/zinc/03/30/67/569033067.db2.gz KTAMNDZJJKTILX-UHFFFAOYSA-N 0 0 415.467 2.740 50 0 HFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N(C)C1CCCCC1 ZINC000006226716 569033532 /nfs/dbraw/zinc/03/35/32/569033532.db2.gz AJLOEBVCVKGQMO-GOSISDBHSA-N 0 0 406.548 2.872 50 0 HFAARN Cc1cccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)c1 ZINC000035375621 569034006 /nfs/dbraw/zinc/03/40/06/569034006.db2.gz FKYGXBWICKZYLZ-UHFFFAOYSA-N 0 0 403.486 2.517 50 0 HFAARN O=C(C1CCCCC1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035376504 569034152 /nfs/dbraw/zinc/03/41/52/569034152.db2.gz 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COC(=O)Cn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O ZINC000006937511 569185217 /nfs/dbraw/zinc/18/52/17/569185217.db2.gz KLRWTLKZGQIUAW-UHFFFAOYSA-N 0 0 411.483 2.917 50 0 HFAARN COc1ccccc1NC(=O)Cn1nnc(-c2nc(-c3ccc(C)cc3)no2)c1N ZINC000006939189 569185474 /nfs/dbraw/zinc/18/54/74/569185474.db2.gz IGCXEZXEEMXFLS-UHFFFAOYSA-N 0 0 405.418 2.533 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(N(C)C4CCCCC4)nccn3c2=O)cc1 ZINC000065151645 569185769 /nfs/dbraw/zinc/18/57/69/569185769.db2.gz LMCSEXSCBIFPMZ-UHFFFAOYSA-N 0 0 422.489 2.501 50 0 HFAARN CC[C@H](C)NC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O ZINC000065151071 569186278 /nfs/dbraw/zinc/18/62/78/569186278.db2.gz YHDVFWWMLFMLTK-LBPRGKRZSA-N 0 0 405.911 2.751 50 0 HFAARN O=C(Cn1nc2c(SCc3ccccc3)nccn2c1=O)NCc1ccc(F)cc1 ZINC000065151146 569186292 /nfs/dbraw/zinc/18/62/92/569186292.db2.gz GJHNDPOOWGKJGZ-UHFFFAOYSA-N 0 0 423.473 2.639 50 0 HFAARN CC(=O)Nc1ccc2c(c1)CN(C(=O)COc1ccccc1)[C@@H](C(=O)N1CCCC1)C2 ZINC000065167260 569188905 /nfs/dbraw/zinc/18/89/05/569188905.db2.gz MVBFOUHNTAMWAM-JOCHJYFZSA-N 0 0 421.497 2.600 50 0 HFAARN CCn1cc(CCN2CCN(S(=O)(=O)c3ccccc3C)CC2)c2cccnc21 ZINC000065164818 569189363 /nfs/dbraw/zinc/18/93/63/569189363.db2.gz WSJJLZNOECCZIS-UHFFFAOYSA-N 0 0 412.559 2.914 50 0 HFAARN Cc1ccc(Cn2c(=O)c3nscc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000065184890 569191449 /nfs/dbraw/zinc/19/14/49/569191449.db2.gz IFAFEWHGUDVTIL-UHFFFAOYSA-N 0 0 424.457 2.754 50 0 HFAARN CCc1noc(-c2ccc(SCC(=O)N3CCN(c4ccccn4)CC3)nc2)n1 ZINC000065185802 569192023 /nfs/dbraw/zinc/19/20/23/569192023.db2.gz OBBIYMIEZZYRNU-UHFFFAOYSA-N 0 0 410.503 2.530 50 0 HFAARN CCn1c(COC(=O)Cc2ccsc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006972215 569192310 /nfs/dbraw/zinc/19/23/10/569192310.db2.gz YXKCMOWUVOZRGQ-UHFFFAOYSA-N 0 0 407.517 2.654 50 0 HFAARN COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1c(C)nn(C)c1C ZINC000006975429 569192330 /nfs/dbraw/zinc/19/23/30/569192330.db2.gz JHHUGOQISSALFL-UHFFFAOYSA-N 0 0 409.446 2.980 50 0 HFAARN CCOc1cccc(CNS(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194165 569192688 /nfs/dbraw/zinc/19/26/88/569192688.db2.gz WAAYQIIZSZJUOT-UHFFFAOYSA-N 0 0 404.492 2.878 50 0 HFAARN O=C(Cn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O)Nc1ccc(F)cc1 ZINC000065197533 569193001 /nfs/dbraw/zinc/19/30/01/569193001.db2.gz OXRBTYUAQUYJFE-UHFFFAOYSA-N 0 0 409.352 2.877 50 0 HFAARN O=C(Cn1nc(-c2nc(-c3ccncc3)no2)ccc1=O)Nc1ccc(Cl)cc1 ZINC000065197641 569193132 /nfs/dbraw/zinc/19/31/32/569193132.db2.gz CLTMWRWTZKLUIP-UHFFFAOYSA-N 0 0 408.805 2.647 50 0 HFAARN COc1cccc(-c2noc(Cn3ccn(-c4cc(C)ccc4C)c(=O)c3=O)n2)c1 ZINC000065198554 569193373 /nfs/dbraw/zinc/19/33/73/569193373.db2.gz RGYFMSCWNHWOBU-UHFFFAOYSA-N 0 0 404.426 2.723 50 0 HFAARN Cc1nc2cc(N3C[C@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3=O)ccc2o1 ZINC000065195708 569194350 /nfs/dbraw/zinc/19/43/50/569194350.db2.gz PJUUWWSPGQCWOC-MRXNPFEDSA-N 0 0 422.460 2.977 50 0 HFAARN COCc1cc2nn(CC(=O)Nc3c(C)cccc3C)c(=O)n2c(-c2ccccc2)n1 ZINC000065196584 569194704 /nfs/dbraw/zinc/19/47/04/569194704.db2.gz PUHQVPQXRKBKCA-UHFFFAOYSA-N 0 0 417.469 2.960 50 0 HFAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2cc(-c3ccncc3)nc(C)n2c1=O ZINC000065196678 569194821 /nfs/dbraw/zinc/19/48/21/569194821.db2.gz YTXQGMLGXPBPTP-UHFFFAOYSA-N 0 0 408.849 2.862 50 0 HFAARN Cn1c(=O)c2cc(C(=O)Nc3cc(F)cc(F)c3)cnc2n(-c2ccccc2)c1=O ZINC000065197089 569195003 /nfs/dbraw/zinc/19/50/03/569195003.db2.gz WLMVNFBXLLVLFN-UHFFFAOYSA-N 0 0 408.364 2.615 50 0 HFAARN O=C(CN1N=C(c2nc(-c3cccnc3)no2)CCC1=O)Nc1ccc(Cl)cc1 ZINC000065197233 569195086 /nfs/dbraw/zinc/19/50/86/569195086.db2.gz DZMPDBISSGUZPH-UHFFFAOYSA-N 0 0 410.821 2.750 50 0 HFAARN CN(C)c1ccc(NC(=O)Cn2nc(-c3nc(-c4ccccc4)no3)ccc2=O)cc1 ZINC000065197463 569195110 /nfs/dbraw/zinc/19/51/10/569195110.db2.gz ATEYEYPVLHWNMV-UHFFFAOYSA-N 0 0 416.441 2.665 50 0 HFAARN C[C@@H](Sc1nnc2[nH]c3ccccc3n21)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000006981152 569195657 /nfs/dbraw/zinc/19/56/57/569195657.db2.gz UUWXHVCXXFIVDE-LLVKDONJSA-N 0 0 415.500 2.946 50 0 HFAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCCN1CCOCC1 ZINC000065209758 569196565 /nfs/dbraw/zinc/19/65/65/569196565.db2.gz OHOXRVZKWTUHKM-UHFFFAOYSA-N 0 0 404.514 2.969 50 0 HFAARN Cc1ccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2N)cc1 ZINC000006999276 569196677 /nfs/dbraw/zinc/19/66/77/569196677.db2.gz REQWXIIVGSWYKY-UHFFFAOYSA-N 0 0 412.881 2.699 50 0 HFAARN CCOC(=O)N1CCN(Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216187 569197689 /nfs/dbraw/zinc/19/76/89/569197689.db2.gz QMFRQSVUPGQBTF-UHFFFAOYSA-N 0 0 414.510 2.642 50 0 HFAARN Cc1nn2c(nc(C)c2CNS(=O)(=O)c2ccc(Br)cc2)s1 ZINC000065217461 569197803 /nfs/dbraw/zinc/19/78/03/569197803.db2.gz HDJBBJJZPISYMN-UHFFFAOYSA-N 0 0 401.311 2.649 50 0 HFAARN Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3F)ccc21 ZINC000007003164 569199078 /nfs/dbraw/zinc/19/90/78/569199078.db2.gz JGRBWFOLFDVYIK-UHFFFAOYSA-N 0 0 412.826 2.727 50 0 HFAARN O=S(=O)(c1cccc2nsnc21)N1CCCn2nc(-c3cccnc3)cc2C1 ZINC000065225634 569199695 /nfs/dbraw/zinc/19/96/95/569199695.db2.gz MKRBVPTZGAAIJQ-UHFFFAOYSA-N 0 0 412.500 2.544 50 0 HFAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000007007267 569199934 /nfs/dbraw/zinc/19/99/34/569199934.db2.gz CHZBILUMTFSYKQ-UHFFFAOYSA-N 0 0 412.511 2.941 50 0 HFAARN CCN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000065235202 569202328 /nfs/dbraw/zinc/20/23/28/569202328.db2.gz SUSYDSIKIHEFDI-UHFFFAOYSA-N 0 0 411.433 2.757 50 0 biogenic HFAARN COc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCC5)n4)ccn3n2)cc1 ZINC000065235968 569202549 /nfs/dbraw/zinc/20/25/49/569202549.db2.gz DOUYPCBPDLHSQA-UHFFFAOYSA-N 0 0 420.473 2.589 50 0 HFAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(F)ccc1F ZINC000036585259 569203118 /nfs/dbraw/zinc/20/31/18/569203118.db2.gz ISJPDBLNCOUTHU-AEFFLSMTSA-N 0 0 406.433 2.933 50 0 HFAARN CCN1C(=O)[C@](C)(C(=O)NCc2ccc(Br)cc2)Oc2cccnc21 ZINC000065241890 569204159 /nfs/dbraw/zinc/20/41/59/569204159.db2.gz DOSQTIHZDALENI-SFHVURJKSA-N 0 0 404.264 2.665 50 0 HFAARN O=C(COc1ccc(NC(=O)C2CC2)cn1)N1CCN(c2ccccc2Cl)CC1 ZINC000065245708 569205278 /nfs/dbraw/zinc/20/52/78/569205278.db2.gz RTIKCIXPJOBMCM-UHFFFAOYSA-N 0 0 414.893 2.811 50 0 HFAARN Cc1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c2)o1 ZINC000065246530 569205629 /nfs/dbraw/zinc/20/56/29/569205629.db2.gz GCWFUPTXFZLGRX-UHFFFAOYSA-N 0 0 408.867 2.802 50 0 HFAARN CCn1nc(C)c(S(=O)(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)c1C ZINC000036614653 569206760 /nfs/dbraw/zinc/20/67/60/569206760.db2.gz LZEVGAJGCPBNBW-UHFFFAOYSA-N 0 0 419.473 2.592 50 0 HFAARN Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000036615097 569206895 /nfs/dbraw/zinc/20/68/95/569206895.db2.gz URUOMFAQHOXWBO-UHFFFAOYSA-N 0 0 404.870 2.747 50 0 HFAARN COc1ccc(-c2cc(C(=O)NCCn3nccc3C)c3c(C)nn(C)c3n2)cc1 ZINC000036615936 569207093 /nfs/dbraw/zinc/20/70/93/569207093.db2.gz GRGDCRAHCTXZAI-UHFFFAOYSA-N 0 0 404.474 2.887 50 0 HFAARN CC(C)CN1CCn2cc(S(=O)(=O)NCc3ccc(F)c(Cl)c3)cc2C1=O ZINC000065254833 569207551 /nfs/dbraw/zinc/20/75/51/569207551.db2.gz WEIDGXYQBLJCFI-UHFFFAOYSA-N 0 0 413.902 2.871 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259616 569210589 /nfs/dbraw/zinc/21/05/89/569210589.db2.gz WJEQSXXGJFWYKG-KRWDZBQOSA-N 0 0 420.531 2.771 50 0 biogenic HFAARN O=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259825 569210783 /nfs/dbraw/zinc/21/07/83/569210783.db2.gz MSUGBFAUMHEWOY-HXUWFJFHSA-N 0 0 413.543 2.969 50 0 biogenic HFAARN C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000007046182 569210992 /nfs/dbraw/zinc/21/09/92/569210992.db2.gz HAGQZPLXFQIGDV-NWDGAFQWSA-N 0 0 405.501 2.892 50 0 HFAARN O=C(/C=C/c1cccs1)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013123293 569211263 /nfs/dbraw/zinc/21/12/63/569211263.db2.gz LMUXVRFUWMQGLF-CMDGGOBGSA-N 0 0 420.512 2.728 50 0 HFAARN COc1cc([C@H](CC(=O)NCc2ccncc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730902 569212100 /nfs/dbraw/zinc/21/21/00/569212100.db2.gz BJWJHCSTKRWHBO-INIZCTEOSA-N 0 0 410.426 2.601 50 0 biogenic HFAARN Cn1cc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cn1 ZINC000524733349 569212950 /nfs/dbraw/zinc/21/29/50/569212950.db2.gz JWDNCMUWFLROJS-FQEVSTJZSA-N 0 0 401.426 2.564 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(ccc3cccnc32)[C@]12c1ccccc1N(C)C2=O ZINC000524733495 569213823 /nfs/dbraw/zinc/21/38/23/569213823.db2.gz OBBVXEYWBJHBIU-HSZRJFAPSA-N 0 0 401.422 2.623 50 0 HFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCc1nnc3ccc(Cl)nn31)CC2 ZINC000524733777 569213896 /nfs/dbraw/zinc/21/38/96/569213896.db2.gz OGAGMXVBOKJHFU-CYBMUJFWSA-N 0 0 401.854 2.531 50 0 HFAARN O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CCCN(c2ncccn2)CC1 ZINC000065274528 569215268 /nfs/dbraw/zinc/21/52/68/569215268.db2.gz YAEBZGSGNWEFER-UHFFFAOYSA-N 0 0 417.448 2.678 50 0 HFAARN C=C1C(N2CCCN(C(=O)N[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271970 569215412 /nfs/dbraw/zinc/21/54/12/569215412.db2.gz KKHCKRFVPYQBGJ-INIZCTEOSA-N 0 0 418.563 2.984 50 0 HFAARN Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)Cc1ccc(Cl)cc1)CC2 ZINC000065284548 569216680 /nfs/dbraw/zinc/21/66/80/569216680.db2.gz DMINIHQVVIHMCX-UHFFFAOYSA-N 0 0 400.910 2.617 50 0 HFAARN CC[C@@]1(N2CCN(C(=O)Nc3ccc(SC)cc3)CC2)CCN(C(=O)NC)C1 ZINC000065292078 569217824 /nfs/dbraw/zinc/21/78/24/569217824.db2.gz ZWVGMKGCTNIBFR-HXUWFJFHSA-N 0 0 405.568 2.752 50 0 HFAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000007078129 569217957 /nfs/dbraw/zinc/21/79/57/569217957.db2.gz NROOFOUKKNDFIV-SFHVURJKSA-N 0 0 408.545 2.896 50 0 HFAARN Cc1ccn(C[C@H](C)NC(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)n1 ZINC000065292423 569218170 /nfs/dbraw/zinc/21/81/70/569218170.db2.gz OEXRZKHGVIVSEM-INIZCTEOSA-N 0 0 406.490 2.629 50 0 HFAARN COCCn1c2cnccc2nc1[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000065292997 569218460 /nfs/dbraw/zinc/21/84/60/569218460.db2.gz YETUDXYSJWNLMH-OAHLLOKOSA-N 0 0 418.494 2.703 50 0 HFAARN O=C(NC1CCCCC1)N1CCCN([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293332 569218468 /nfs/dbraw/zinc/21/84/68/569218468.db2.gz 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/nfs/dbraw/zinc/26/60/55/569266055.db2.gz WTYUIVDNHNTLSC-UHFFFAOYSA-N 0 0 408.483 2.601 50 0 HFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000089865535 569267416 /nfs/dbraw/zinc/26/74/16/569267416.db2.gz SOVAYPOOPGJBPO-ZWKOTPCHSA-N 0 0 418.280 2.925 50 0 HFAARN COC(=O)c1cccc(Nc2nn3c(nc4cc(OC)c(OC)cc4c3=O)s2)c1 ZINC000016944200 569268088 /nfs/dbraw/zinc/26/80/88/569268088.db2.gz NGAYSYYEDOPLST-UHFFFAOYSA-N 0 0 412.427 2.852 50 0 HFAARN COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1=O ZINC000089941452 569269254 /nfs/dbraw/zinc/26/92/54/569269254.db2.gz PSAKXEBLBULGAV-SOLBZPMBSA-N 0 0 422.481 2.958 50 0 HFAARN COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000089980303 569270968 /nfs/dbraw/zinc/27/09/68/569270968.db2.gz CNCYBYXBKPVTAH-NHCUHLMSSA-N 0 0 418.515 2.714 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000908010 569276818 /nfs/dbraw/zinc/27/68/18/569276818.db2.gz HBXVYRJXZODNTC-UHFFFAOYSA-N 0 0 410.879 2.622 50 0 HFAARN COc1cc(C(=O)N2CCCN(C)c3ccc(F)cc32)cc(Cl)c1OCC(N)=O ZINC000170636555 569279300 /nfs/dbraw/zinc/27/93/00/569279300.db2.gz QSYONTWYPYVAJF-UHFFFAOYSA-N 0 0 421.856 2.839 50 0 HFAARN CCO[C@@H]1C[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C12CCC2 ZINC000170638864 569280366 /nfs/dbraw/zinc/28/03/66/569280366.db2.gz SPJTWLQSMLMFSF-HZPDHXFCSA-N 0 0 423.307 2.638 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002100751 569281337 /nfs/dbraw/zinc/28/13/37/569281337.db2.gz DUMQOXHYOYEYFW-RCJHGTSTSA-N 0 0 403.523 2.733 50 0 biogenic HFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000170640718 569283275 /nfs/dbraw/zinc/28/32/75/569283275.db2.gz KCXZLIBUKSOGGU-UHFFFAOYSA-N 0 0 417.387 2.904 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)N3CCOC4(CCCCC4)C3)CC2=O)cc1OC ZINC000170641027 569283365 /nfs/dbraw/zinc/28/33/65/569283365.db2.gz VKMKAAONDKFJIR-MRXNPFEDSA-N 0 0 402.491 2.618 50 0 HFAARN Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000014854417 569285011 /nfs/dbraw/zinc/28/50/11/569285011.db2.gz DQUJJYZFAYADRG-UHFFFAOYSA-N 0 0 417.918 2.978 50 0 HFAARN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000252430818 569285473 /nfs/dbraw/zinc/28/54/73/569285473.db2.gz LYLUJBCWPARIDH-TZIWHRDSSA-N 0 0 402.502 2.791 50 0 HFAARN COc1c2c(cc(CCN(C)C(=S)NCCc3ccccc3)c1C=O)OCO2 ZINC000002125366 569286128 /nfs/dbraw/zinc/28/61/28/569286128.db2.gz XGEIAMIHRJMYNN-UHFFFAOYSA-N 0 0 400.500 2.828 50 0 biogenic HFAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000252470059 569287129 /nfs/dbraw/zinc/28/71/29/569287129.db2.gz WPBZOXULLMVBCB-ZCZYJYACSA-N 0 0 418.449 2.719 50 0 biogenic HFAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@H]1c1ccccc1OC ZINC000002130328 569287258 /nfs/dbraw/zinc/28/72/58/569287258.db2.gz OCJZUZGPCODPBM-GOSISDBHSA-N 0 0 422.437 2.674 50 0 biogenic HFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000007599957 569289717 /nfs/dbraw/zinc/28/97/17/569289717.db2.gz WTRUHUIYGMVBLR-UHFFFAOYSA-N 0 0 416.459 2.677 50 0 HFAARN C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2n1C ZINC000252497332 569290875 /nfs/dbraw/zinc/29/08/75/569290875.db2.gz QDYOUUWZYRYOQN-PBHICJAKSA-N 0 0 405.458 2.860 50 0 HFAARN Cc1ccc(C)c(N2CCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(F)cc2)c4=O)c1 ZINC000010104774 569291165 /nfs/dbraw/zinc/29/11/65/569291165.db2.gz RPMAHGMWLJTXKX-UHFFFAOYSA-N 0 0 419.460 2.853 50 0 HFAARN CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000252512609 569291871 /nfs/dbraw/zinc/29/18/71/569291871.db2.gz SWLOFRKQOCEFLW-PJVZLEMVSA-N 0 0 411.587 2.882 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1 ZINC000252537368 569293064 /nfs/dbraw/zinc/29/30/64/569293064.db2.gz KZNDRLACFOQSIK-MRXNPFEDSA-N 0 0 416.503 2.855 50 0 HFAARN O=C1c2cccc3cccc(c23)N1CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000027309121 569293346 /nfs/dbraw/zinc/29/33/46/569293346.db2.gz HGFZBNYRDAHKGZ-UHFFFAOYSA-N 0 0 413.524 2.826 50 0 HFAARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007606943 569295116 /nfs/dbraw/zinc/29/51/16/569295116.db2.gz RRUNXCOZLWDHLL-UHFFFAOYSA-N 0 0 408.437 2.790 50 0 HFAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000007616862 569296013 /nfs/dbraw/zinc/29/60/13/569296013.db2.gz OWQRJQNELJFGMI-UHFFFAOYSA-N 0 0 407.455 2.981 50 0 HFAARN COCCNC(=O)CCNC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037426218 569298728 /nfs/dbraw/zinc/29/87/28/569298728.db2.gz QKXVZJRPMBNXIQ-UHFFFAOYSA-N 0 0 416.425 2.788 50 0 HFAARN O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC000037523842 569303737 /nfs/dbraw/zinc/30/37/37/569303737.db2.gz WYIFPVPXLOZCQD-FQEVSTJZSA-N 0 0 415.509 2.585 50 0 HFAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)c1C ZINC000007777274 569308586 /nfs/dbraw/zinc/30/85/86/569308586.db2.gz BZAAEKBJEVELOA-MRXNPFEDSA-N 0 0 400.475 2.777 50 0 HFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(Cc1cccc(S(=O)(=O)N(C)C)c1)C2=O ZINC000007779301 569309283 /nfs/dbraw/zinc/30/92/83/569309283.db2.gz DYBWCMNCOCLOCX-XOBRGWDASA-N 0 0 407.536 2.574 50 0 HFAARN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000007780016 569309461 /nfs/dbraw/zinc/30/94/61/569309461.db2.gz OKDRVDWAIIZCJU-HOCLYGCPSA-N 0 0 418.490 2.727 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CC)cc3)CC2)cc1 ZINC000007805335 569311798 /nfs/dbraw/zinc/31/17/98/569311798.db2.gz OFJSQHAYKQZXIP-UHFFFAOYSA-N 0 0 402.516 2.794 50 0 HFAARN NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccccc3Cc3ccccc3)n2)cc1 ZINC000007875611 569315059 /nfs/dbraw/zinc/31/50/59/569315059.db2.gz IUZNKRXIJWVZHP-UHFFFAOYSA-N 0 0 412.453 2.669 50 0 HFAARN O=c1c(=Cc2cc3c(cc2Br)OCO3)sc2nc3ccccc3n12 ZINC000252673930 569319522 /nfs/dbraw/zinc/31/95/22/569319522.db2.gz RNISURRMKVNZSM-UHFFFAOYSA-N 0 0 401.241 2.948 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1/C=C\c1ccccc1 ZINC000252675870 569319620 /nfs/dbraw/zinc/31/96/20/569319620.db2.gz VIDXMUZHQADPFJ-ICQQHUFFSA-N 0 0 406.463 2.666 50 0 HFAARN C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)C(=O)N(C)C ZINC000054793536 569323004 /nfs/dbraw/zinc/32/30/04/569323004.db2.gz FIAGTMCNKPYGBQ-JTQLQIEISA-N 0 0 410.243 2.982 50 0 HFAARN C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)C(=O)N(C)C ZINC000054793539 569322969 /nfs/dbraw/zinc/32/29/69/569322969.db2.gz FIAGTMCNKPYGBQ-SNVBAGLBSA-N 0 0 410.243 2.982 50 0 HFAARN Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccn1 ZINC000002265450 569325652 /nfs/dbraw/zinc/32/56/52/569325652.db2.gz QFNOEUZRUCIPQA-UHFFFAOYSA-N 0 0 405.281 2.547 50 0 HFAARN CC(C)CCOCCNC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000054900053 569325832 /nfs/dbraw/zinc/32/58/32/569325832.db2.gz LXHMCECJOJAWIH-QHCPKHFHSA-N 0 0 411.502 2.786 50 0 HFAARN COc1ccc(-c2cc(C(=O)N3CCCCC3)cc(-n3cnnn3)c2)c(OC)c1OC ZINC000011813455 569357089 /nfs/dbraw/zinc/35/70/89/569357089.db2.gz FLUYOLKLGJYOAK-UHFFFAOYSA-N 0 0 423.473 2.981 50 0 HFAARN BrC1=C[C@@H]2[C@H]([C@@H]3C=C[C@@]2(Br)[C@@H]3C2OCCO2)C12OCCO2 ZINC000019909128 569357435 /nfs/dbraw/zinc/35/74/35/569357435.db2.gz UQAUDBBKHNHHEV-MFRQRWLDSA-N 0 0 420.097 2.577 50 0 HFAARN COc1ccccc1NC(=O)N1CCN([C@H](C)c2nc3ccccc3c(=O)n2C)CC1 ZINC000019927492 569357522 /nfs/dbraw/zinc/35/75/22/569357522.db2.gz WFCTWFSJRFXVGQ-MRXNPFEDSA-N 0 0 421.501 2.853 50 0 HFAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000029747068 569357831 /nfs/dbraw/zinc/35/78/31/569357831.db2.gz ITRJWOMZKQRYTA-JVZURJHLSA-N 0 0 402.487 2.561 50 0 HFAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H](CO)C(C)C)c12)OC(C)(C)CC3 ZINC000253407670 569366308 /nfs/dbraw/zinc/36/63/08/569366308.db2.gz KAQARRIQMORABJ-OAHLLOKOSA-N 0 0 403.475 2.717 50 0 biogenic HFAARN C[C@@H]1[C@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000253431310 569369742 /nfs/dbraw/zinc/36/97/42/569369742.db2.gz PEQMJYUIJFBMBN-CZUORRHYSA-N 0 0 407.392 2.942 50 0 HFAARN O=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1 ZINC000253471908 569381141 /nfs/dbraw/zinc/38/11/41/569381141.db2.gz GOODSXIEIJVTBV-IBGZPJMESA-N 0 0 415.496 2.741 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000007939107 569385352 /nfs/dbraw/zinc/38/53/52/569385352.db2.gz YQALODMUMIERNL-UHFFFAOYSA-N 0 0 407.806 2.924 50 0 HFAARN CCCN(C(=O)CSc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000018186787 569385875 /nfs/dbraw/zinc/38/58/75/569385875.db2.gz IDIMZAQXYSTSJJ-UHFFFAOYSA-N 0 0 424.526 2.702 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1OC ZINC000002399071 569394714 /nfs/dbraw/zinc/39/47/14/569394714.db2.gz HJYWRGLHPJPLGS-UHFFFAOYSA-N 0 0 421.429 2.685 50 0 HFAARN CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000002423957 569398296 /nfs/dbraw/zinc/39/82/96/569398296.db2.gz GADGKTGEUJECFK-UHFFFAOYSA-N 0 0 401.872 2.764 50 0 HFAARN CCc1csc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000012304166 569400265 /nfs/dbraw/zinc/40/02/65/569400265.db2.gz GBTCGOQWGKTOJO-MRXNPFEDSA-N 0 0 403.523 2.985 50 0 HFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000012552677 569401743 /nfs/dbraw/zinc/40/17/43/569401743.db2.gz ZAAWYNPVVXIHRZ-OIQJVACTSA-N 0 0 410.499 2.753 50 0 HFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000007946154 569402857 /nfs/dbraw/zinc/40/28/57/569402857.db2.gz NMSQJJZQTAIFLK-CQSZACIVSA-N 0 0 408.501 2.574 50 0 HFAARN COc1ccc2c(CCNC(=O)[C@H](C(C)C)n3nnc4ccccc4c3=O)c[nH]c2c1 ZINC000012897632 569404794 /nfs/dbraw/zinc/40/47/94/569404794.db2.gz ZJJOUYOXTNQBKS-NRFANRHFSA-N 0 0 419.485 2.837 50 0 biogenic HFAARN Cc1nc(COc2ccc(/C=C/C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)cs1 ZINC000012908123 569404902 /nfs/dbraw/zinc/40/49/02/569404902.db2.gz MJIAKACLVWWVBT-ZGRWHYIRSA-N 0 0 406.529 2.689 50 0 HFAARN O=C(/C=C/c1cccc2cccnc12)OCC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000012904650 569404907 /nfs/dbraw/zinc/40/49/07/569404907.db2.gz HXDADRDKOYCHAL-DOJUMQAQSA-N 0 0 404.422 2.747 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000013010507 569407177 /nfs/dbraw/zinc/40/71/77/569407177.db2.gz SIECNYMZIIPLPS-UHFFFAOYSA-N 0 0 422.528 2.747 50 0 HFAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 ZINC000013012499 569407292 /nfs/dbraw/zinc/40/72/92/569407292.db2.gz QJHYMNAFRIXJDL-GJZGRUSLSA-N 0 0 416.499 2.592 50 0 HFAARN O=C(CCC1CCCC1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000013036874 569407600 /nfs/dbraw/zinc/40/76/00/569407600.db2.gz GLUCNORGKHEQEO-UHFFFAOYSA-N 0 0 423.496 2.969 50 0 HFAARN Cc1ccccc1CN(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040095 569407818 /nfs/dbraw/zinc/40/78/18/569407818.db2.gz ZACPRARALLOMPX-UHFFFAOYSA-N 0 0 401.532 2.850 50 0 HFAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(=O)CC3)c2)cc1 ZINC000328590457 569415025 /nfs/dbraw/zinc/41/50/25/569415025.db2.gz DCLCLWMNLWPZMX-UHFFFAOYSA-N 0 0 402.472 2.691 50 0 HFAARN CC1(C)CO[C@H](c2ccccc2Cl)CN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000078806207 569420577 /nfs/dbraw/zinc/42/05/77/569420577.db2.gz POUPIAXTGAHYRS-IBGZPJMESA-N 0 0 419.953 2.573 50 0 HFAARN COc1ccc(Oc2ncccc2NC(=O)N2CCN(c3ccc(=O)[nH]n3)CC2)cc1 ZINC000078821606 569420699 /nfs/dbraw/zinc/42/06/99/569420699.db2.gz PRRNTAPQYRTTDO-UHFFFAOYSA-N 0 0 422.445 2.732 50 0 HFAARN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000078934634 569421786 /nfs/dbraw/zinc/42/17/86/569421786.db2.gz ACRITGNGTIKEJB-GJZGRUSLSA-N 0 0 423.945 2.862 50 0 HFAARN Cc1nn(C)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019584010 569423903 /nfs/dbraw/zinc/42/39/03/569423903.db2.gz WZBVAUKRYMCMDX-UHFFFAOYSA-N 0 0 410.543 2.824 50 0 HFAARN O=C(CCCc1ccc(Cl)c(Cl)c1)NCCNS(=O)(=O)Cc1ccon1 ZINC000079022188 569424431 /nfs/dbraw/zinc/42/44/31/569424431.db2.gz XNJHFGGFQWGHPC-UHFFFAOYSA-N 0 0 420.318 2.540 50 0 HFAARN CC(=O)Nc1ccc(Br)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1 ZINC000079045877 569425201 /nfs/dbraw/zinc/42/52/01/569425201.db2.gz RWXGKYDBIRJJGR-UHFFFAOYSA-N 0 0 406.236 2.803 50 0 HFAARN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000079051507 569425574 /nfs/dbraw/zinc/42/55/74/569425574.db2.gz AVPYMVUVJIGNDQ-OAHLLOKOSA-N 0 0 421.950 2.876 50 0 HFAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000079058250 569426064 /nfs/dbraw/zinc/42/60/64/569426064.db2.gz HXMTYKONVNQQSS-HXUWFJFHSA-N 0 0 409.833 2.651 50 0 HFAARN Cc1nc2ccc(O)cc2c(=O)n1CC(=O)NCCSc1ccc(Cl)cc1 ZINC000079474320 569431339 /nfs/dbraw/zinc/43/13/39/569431339.db2.gz SJCYMKJEGKTTRO-UHFFFAOYSA-N 0 0 403.891 2.972 50 0 HFAARN COc1cccc(N2CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC2)c1 ZINC000079475724 569431474 /nfs/dbraw/zinc/43/14/74/569431474.db2.gz WWEJRVNWVDHSOD-UHFFFAOYSA-N 0 0 409.534 2.667 50 0 HFAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079480198 569431723 /nfs/dbraw/zinc/43/17/23/569431723.db2.gz DLXSZWUIRBHYJU-TZMCWYRMSA-N 0 0 406.331 2.809 50 0 HFAARN Cc1cc(NC(=O)c2cc3cc(Cl)ccc3n2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000079486298 569432138 /nfs/dbraw/zinc/43/21/38/569432138.db2.gz UGWFWLTYJZKAHL-CQSZACIVSA-N 0 0 406.895 2.949 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC ZINC000004764322 571045230 /nfs/dbraw/zinc/04/52/30/571045230.db2.gz YEQVNYWGTWEHKN-XIRDDKMYSA-N 0 0 410.536 2.738 50 0 HFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O ZINC000008502296 571062535 /nfs/dbraw/zinc/06/25/35/571062535.db2.gz QWFHQPBDHNYOKO-QHCPKHFHSA-N 0 0 408.454 2.974 50 0 HFAARN O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000008520992 571073935 /nfs/dbraw/zinc/07/39/35/571073935.db2.gz KQHGKNTYWIRXGP-MRXNPFEDSA-N 0 0 411.570 2.615 50 0 HFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)N2CCCc3ccccc32)c(=O)c1CCO ZINC000067300832 571074000 /nfs/dbraw/zinc/07/40/00/571074000.db2.gz AEGYJFODZVJVBG-UHFFFAOYSA-N 0 0 421.472 2.872 50 0 HFAARN CC(C)N(CC(N)=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000008532930 571074826 /nfs/dbraw/zinc/07/48/26/571074826.db2.gz OBBZWSIJVFNTOA-UHFFFAOYSA-N 0 0 400.445 2.830 50 0 HFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NC2CCC(C)CC2)c(=O)c1CCO ZINC000067316930 571075778 /nfs/dbraw/zinc/07/57/78/571075778.db2.gz YNQMGKHMYGKEOQ-UHFFFAOYSA-N 0 0 401.482 2.588 50 0 HFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NCCCc2ccccc2)c(=O)c1CCO ZINC000067316817 571075881 /nfs/dbraw/zinc/07/58/81/571075881.db2.gz BETDRYSBKXAAGK-UHFFFAOYSA-N 0 0 423.488 2.642 50 0 HFAARN COc1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)c1 ZINC000067316666 571075929 /nfs/dbraw/zinc/07/59/29/571075929.db2.gz SXLYDXSLJIAKSD-UHFFFAOYSA-N 0 0 411.433 2.540 50 0 HFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 ZINC000067322824 571078382 /nfs/dbraw/zinc/07/83/82/571078382.db2.gz STLKAMRPCRLJSE-UHFFFAOYSA-N 0 0 423.429 2.605 50 0 HFAARN Cc1cccc(N2CCN(c3ncc(S(=O)(=O)c4cccc(C)c4)c(N)n3)CC2)c1 ZINC000067336394 571080145 /nfs/dbraw/zinc/08/01/45/571080145.db2.gz LRZCRVIXRCLZNO-UHFFFAOYSA-N 0 0 423.542 2.835 50 0 HFAARN CCOc1ccc(S(=O)(=O)C(=CNc2ccc3c(c2)OCCO3)C(=O)OC)cc1 ZINC000067340338 571080809 /nfs/dbraw/zinc/08/08/09/571080809.db2.gz QUWCJUXXYMWJSW-CPNJWEJPSA-N 0 0 419.455 2.757 50 0 HFAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccc(F)c2)c1 ZINC000008569733 571081923 /nfs/dbraw/zinc/08/19/23/571081923.db2.gz ITQAHPZOMIPREQ-GOSISDBHSA-N 0 0 410.409 2.757 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038849423 571086801 /nfs/dbraw/zinc/08/68/01/571086801.db2.gz KFDYIEJZECDVKI-KRWDZBQOSA-N 0 0 410.879 2.823 50 0 HFAARN Cc1ccccc1C(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000008599531 571089135 /nfs/dbraw/zinc/08/91/35/571089135.db2.gz XJLGIESAQJAFDP-UHFFFAOYSA-N 0 0 423.488 2.610 50 0 HFAARN CCCn1c(CCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)nc2cccnc21 ZINC000008599908 571089474 /nfs/dbraw/zinc/08/94/74/571089474.db2.gz FRUXTXHNVOUBAK-UHFFFAOYSA-N 0 0 424.457 2.986 50 0 HFAARN CN1CC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O ZINC000008607978 571093056 /nfs/dbraw/zinc/09/30/56/571093056.db2.gz GATSTFCGEHAUCV-UHFFFAOYSA-N 0 0 407.348 2.643 50 0 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/nfs/dbraw/zinc/09/85/28/571098528.db2.gz NKXSPUCIBBBODP-AWEZNQCLSA-N 0 0 409.446 2.784 50 0 HFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3[C@H](C)c2ccccc2)n(C)c1=O ZINC000008706110 571103513 /nfs/dbraw/zinc/10/35/13/571103513.db2.gz UIGCPQVDZWSPPB-HUUCEWRRSA-N 0 0 407.474 2.526 50 0 HFAARN Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 ZINC000008718216 571105787 /nfs/dbraw/zinc/10/57/87/571105787.db2.gz CCQAWHBZFLIUAI-UHFFFAOYSA-N 0 0 409.511 2.932 50 0 HFAARN COc1cccc(NCc2nnc(SCC(=O)NC(N)=O)n2C2CCCCC2)c1 ZINC000008747055 571111229 /nfs/dbraw/zinc/11/12/29/571111229.db2.gz DDEDIDIJUDYMPY-UHFFFAOYSA-N 0 0 418.523 2.691 50 0 HFAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008750144 571111930 /nfs/dbraw/zinc/11/19/30/571111930.db2.gz HFWASBYTSPTMQH-KRWDZBQOSA-N 0 0 424.453 2.670 50 0 HFAARN Cc1cc2oc(=O)c(CC(=O)NC[C@@H](O)CO)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008764335 571114711 /nfs/dbraw/zinc/11/47/11/571114711.db2.gz UMIFOPGSRVKNOX-MRXNPFEDSA-N 0 0 421.449 2.835 50 0 biogenic HFAARN Cc1oc2cc3oc(=O)c(CC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c(C)c3cc2c1C ZINC000008764819 571114986 /nfs/dbraw/zinc/11/49/86/571114986.db2.gz HRBZLCDJTLMQKU-CQSZACIVSA-N 0 0 417.483 2.652 50 0 biogenic HFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H](O)CO)occ3-c1ccccc1 ZINC000008764716 571115031 /nfs/dbraw/zinc/11/50/31/571115031.db2.gz XKPKLNHUHLDTRL-OAHLLOKOSA-N 0 0 407.422 2.527 50 0 biogenic HFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H](O)CO)occ3-c1ccccc1 ZINC000008764715 571115070 /nfs/dbraw/zinc/11/50/70/571115070.db2.gz XKPKLNHUHLDTRL-HNNXBMFYSA-N 0 0 407.422 2.527 50 0 biogenic HFAARN CCn1c(SCC(N)=O)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000008784342 571119560 /nfs/dbraw/zinc/11/95/60/571119560.db2.gz APHZHKTYUWSJCV-QMMMGPOBSA-N 0 0 402.307 2.673 50 0 HFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O ZINC000008849543 571126543 /nfs/dbraw/zinc/12/65/43/571126543.db2.gz MWNJCUSXBQCNTJ-NRFANRHFSA-N 0 0 424.388 2.614 50 0 HFAARN Cc1ccc(N2CCn3c2nn(Cc2cccc(C(F)(F)F)c2)c(=O)c3=O)cc1 ZINC000008849796 571126599 /nfs/dbraw/zinc/12/65/99/571126599.db2.gz ZVCJDDIOIJWZEN-UHFFFAOYSA-N 0 0 402.376 2.932 50 0 HFAARN COc1ccc([C@H](CNC(=O)CN2CCC[C@H](O)C2)c2c[nH]c3ccccc32)cc1 ZINC000039519527 571132412 /nfs/dbraw/zinc/13/24/12/571132412.db2.gz SQLHTDDHMVXOGF-RXVVDRJESA-N 0 0 407.514 2.881 50 0 HFAARN CC(C)CCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000039516473 571132481 /nfs/dbraw/zinc/13/24/81/571132481.db2.gz OXLHZCQPBOIQNH-KRWDZBQOSA-N 0 0 416.547 2.885 50 0 HFAARN Cc1sc2ncnc(OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)c2c1C ZINC000039562321 571133103 /nfs/dbraw/zinc/13/31/03/571133103.db2.gz PCPIZZZNLRDPFJ-UHFFFAOYSA-N 0 0 402.451 2.923 50 0 HFAARN COc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(C)c(C(C)=O)sc3[nH]2)cc1 ZINC000039617451 571133676 /nfs/dbraw/zinc/13/36/76/571133676.db2.gz LDJQORDIRHNDDY-UHFFFAOYSA-N 0 0 414.487 2.575 50 0 HFAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(F)ccc1F ZINC000039621299 571133972 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/nfs/dbraw/zinc/81/55/93/521815593.db2.gz IEDWHQCUTINKGH-UHFFFAOYSA-N 0 0 408.502 2.672 50 0 HFAARN CC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 ZINC000032909558 521864888 /nfs/dbraw/zinc/86/48/88/521864888.db2.gz DWNHUULQGXSRFF-INIZCTEOSA-N 0 0 422.432 2.760 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000020565306 521868504 /nfs/dbraw/zinc/86/85/04/521868504.db2.gz UNWIVILSYJFHCL-UHFFFAOYSA-N 0 0 407.923 2.904 50 0 HFAARN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)c1 ZINC000040308948 522142207 /nfs/dbraw/zinc/14/22/07/522142207.db2.gz VITHNTKBVDFGSX-IBGZPJMESA-N 0 0 407.430 2.780 50 0 biogenic HFAARN CCc1nc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)nc2)no1 ZINC000044094875 522148058 /nfs/dbraw/zinc/14/80/58/522148058.db2.gz VXBHPIDQPHYULM-UHFFFAOYSA-N 0 0 418.457 2.727 50 0 HFAARN CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cn1 ZINC000032619689 522230190 /nfs/dbraw/zinc/23/01/90/522230190.db2.gz UBCNZLARSJLOEG-GFCCVEGCSA-N 0 0 403.280 2.902 50 0 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523019919 /nfs/dbraw/zinc/01/99/19/523019919.db2.gz ANXXATHPCXUPQO-UHFFFAOYSA-N 0 0 418.497 2.971 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)Cn1nc(-c3ccccc3F)ccc1=O)CC2 ZINC000040287090 523029362 /nfs/dbraw/zinc/02/93/62/523029362.db2.gz GUFDORJCRCXEKD-UHFFFAOYSA-N 0 0 423.444 2.652 50 0 HFAARN COc1cc2ncn(CCC(=O)Nc3cc(Cl)ccc3O)c(=O)c2cc1OC ZINC000032090363 523071340 /nfs/dbraw/zinc/07/13/40/523071340.db2.gz UOQQWDHGWDKWBG-UHFFFAOYSA-N 0 0 403.822 2.802 50 0 HFAARN COc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4n3C)[nH]n2)cc1OC ZINC000096232369 523095271 /nfs/dbraw/zinc/09/52/71/523095271.db2.gz RDNPVOYVKPKYCV-UHFFFAOYSA-N 0 0 405.458 2.953 50 0 HFAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C\c1ccccc1OCc1ccccc1F ZINC000032121383 523171042 /nfs/dbraw/zinc/17/10/42/523171042.db2.gz JMTNNQJWAAUZKD-BOPFTXTBSA-N 0 0 414.458 2.978 50 0 HFAARN COC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1 ZINC000043848890 523202516 /nfs/dbraw/zinc/20/25/16/523202516.db2.gz KIGJFTTZZBECNJ-UHFFFAOYSA-N 0 0 407.373 2.513 50 0 HFAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000032769625 523212212 /nfs/dbraw/zinc/21/22/12/523212212.db2.gz SYDBKLLBCXINTC-KRWDZBQOSA-N 0 0 408.376 2.777 50 0 HFAARN COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000032950430 523217011 /nfs/dbraw/zinc/21/70/11/523217011.db2.gz XMVOLBZUCYBTFW-UHFFFAOYSA-N 0 0 416.503 2.612 50 0 HFAARN COc1ccc(-c2nn3c(nc(CNC(=O)c4cccc(F)c4)cc3=O)s2)cc1 ZINC000041078150 523248974 /nfs/dbraw/zinc/24/89/74/523248974.db2.gz MPJSOOBOROAMBW-UHFFFAOYSA-N 0 0 410.430 2.896 50 0 HFAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1-c1ccc(OC)cc1 ZINC000032668214 523270618 /nfs/dbraw/zinc/27/06/18/523270618.db2.gz RFKZMYTYTCGURK-UHFFFAOYSA-N 0 0 401.488 2.753 50 0 HFAARN CCn1c2ccccc2c2cc(NC(=O)C3CCN(S(N)(=O)=O)CC3)ccc21 ZINC000032801200 523274039 /nfs/dbraw/zinc/27/40/39/523274039.db2.gz KUZPSIVHAACCBL-UHFFFAOYSA-N 0 0 400.504 2.668 50 0 HFAARN COCCCNC(=O)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952101 523367262 /nfs/dbraw/zinc/36/72/62/523367262.db2.gz VPRKNWLWGQBBDG-UHFFFAOYSA-N 0 0 409.471 2.814 50 0 HFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000032827599 523562937 /nfs/dbraw/zinc/56/29/37/523562937.db2.gz LWCMQTISKYKPJU-UHFFFAOYSA-N 0 0 413.437 2.843 50 0 HFAARN COC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000041157235 523574867 /nfs/dbraw/zinc/57/48/67/523574867.db2.gz UYKSDDCKLQPYOZ-CVEARBPZSA-N 0 0 414.955 2.895 50 0 HFAARN COc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(=O)(=O)NC(C)C ZINC000032731439 523739290 /nfs/dbraw/zinc/73/92/90/523739290.db2.gz NYOLEGIZJLKAMV-INIZCTEOSA-N 0 0 404.488 2.636 50 0 HFAARN COc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1OC ZINC000072333879 523770726 /nfs/dbraw/zinc/77/07/26/523770726.db2.gz PLTFYINYXZAYEH-UHFFFAOYSA-N 0 0 408.248 2.940 50 0 HFAARN COc1ccc(C)cc1NC(=O)CNC(=O)CN(Cc1ccccc1)CC(F)F ZINC000072308841 523825175 /nfs/dbraw/zinc/82/51/75/523825175.db2.gz IDLQMTDBLMWICO-UHFFFAOYSA-N 0 0 405.445 2.826 50 0 HFAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CCN(CC)CC3)C2=O)cc1 ZINC000020546578 523880008 /nfs/dbraw/zinc/88/00/08/523880008.db2.gz WPLRLWSPHIUJBO-VWLOTQADSA-N 0 0 421.541 2.651 50 0 HFAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000032850814 523960000 /nfs/dbraw/zinc/96/00/00/523960000.db2.gz CEXNUUSOJRSENR-SFHVURJKSA-N 0 0 408.907 2.682 50 0 HFAARN COc1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)Nc2ccccc2)cc1OC ZINC000040556255 523966274 /nfs/dbraw/zinc/96/62/74/523966274.db2.gz SVWVMQCUYSSBBD-KRWDZBQOSA-N 0 0 415.515 2.970 50 0 HFAARN COc1ccc(CCNc2ccc3nnc(CCC(=O)N4CCCCC4)n3n2)cc1 ZINC000032096893 523978985 /nfs/dbraw/zinc/97/89/85/523978985.db2.gz KCKRTHYBGBJTQS-UHFFFAOYSA-N 0 0 408.506 2.733 50 0 HFAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 ZINC000045899370 524075887 /nfs/dbraw/zinc/07/58/87/524075887.db2.gz MXOVGUOADVJVSV-UHFFFAOYSA-N 0 0 417.440 2.628 50 0 HFAARN C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000040313052 524238158 /nfs/dbraw/zinc/23/81/58/524238158.db2.gz PNOIPTSYWLWETQ-MRXNPFEDSA-N 0 0 404.470 2.727 50 0 biogenic HFAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1 ZINC000020353554 524342563 /nfs/dbraw/zinc/34/25/63/524342563.db2.gz NNJHUMFEHJSKRK-UHFFFAOYSA-N 0 0 418.428 2.942 50 0 HFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487163 524590287 /nfs/dbraw/zinc/59/02/87/524590287.db2.gz KRFSNLCVGXPKCZ-UHFFFAOYSA-N 0 0 415.515 2.508 50 0 HFAARN Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000030259472 524596960 /nfs/dbraw/zinc/59/69/60/524596960.db2.gz ISDHQOFXJCNOQH-UHFFFAOYSA-N 0 0 403.483 2.701 50 0 HFAARN COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1cccc(NC(C)=O)c1 ZINC000032772332 524622399 /nfs/dbraw/zinc/62/23/99/524622399.db2.gz UNYKFZNFMNCGBO-LBPRGKRZSA-N 0 0 412.475 2.749 50 0 HFAARN COc1ccc(N[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)N(C)C ZINC000032814623 524700619 /nfs/dbraw/zinc/70/06/19/524700619.db2.gz AFWPECVDSPYUTA-ZDUSSCGKSA-N 0 0 421.519 2.776 50 0 HFAARN COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCN1CCOCC1 ZINC000020393377 524764391 /nfs/dbraw/zinc/76/43/91/524764391.db2.gz PNISSEXJUPTADK-OAQYLSRUSA-N 0 0 420.465 2.679 50 0 HFAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2cccc(Cl)c2C)c3=O)cc1 ZINC000040478033 524779800 /nfs/dbraw/zinc/77/98/00/524779800.db2.gz MNVFGXJDIPPOON-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN COc1ccc(OC)c(CN2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000022877348 524828745 /nfs/dbraw/zinc/82/87/45/524828745.db2.gz XVOKSJIGPFNSTA-UHFFFAOYSA-N 0 0 417.937 2.791 50 0 HFAARN COc1ccc(OC)c(Cc2nnc(CCC(=O)N[C@@H](C)c3nccs3)o2)c1 ZINC000012586159 524841770 /nfs/dbraw/zinc/84/17/70/524841770.db2.gz DSGIOBOWAYUOIY-LBPRGKRZSA-N 0 0 402.476 2.944 50 0 HFAARN Cc1ccc(F)cc1S(=O)(=O)NCCn1c(-c2ccncc2)nc2cccnc21 ZINC000032949747 524872406 /nfs/dbraw/zinc/87/24/06/524872406.db2.gz PUNLJYPSFIZLDU-UHFFFAOYSA-N 0 0 411.462 2.919 50 0 HFAARN COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)Cc3c[nH]c4ccccc34)cc21 ZINC000040309277 524920775 /nfs/dbraw/zinc/92/07/75/524920775.db2.gz DYDRWJHURYFCMK-UHFFFAOYSA-N 0 0 420.469 2.755 50 0 biogenic HFAARN COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)c3cccc4[nH]ccc43)cc21 ZINC000040312783 524921074 /nfs/dbraw/zinc/92/10/74/524921074.db2.gz UMXLCQVGAOQXJV-UHFFFAOYSA-N 0 0 406.442 2.826 50 0 biogenic HFAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc4c(c3)CCC(=O)N4)n2)C[C@@H](C)O1 ZINC000032885695 525028514 /nfs/dbraw/zinc/02/85/14/525028514.db2.gz LKBJEDYMNAOSQL-CHWSQXEVSA-N 0 0 400.504 2.889 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000032967360 525052534 /nfs/dbraw/zinc/05/25/34/525052534.db2.gz VNEJYYVJZHLNKD-IYBDPMFKSA-N 0 0 420.506 2.896 50 0 HFAARN Cc1cc(N2CCN(C(=O)CCc3nc(C(C)(C)C)no3)CC2)nc(C(C)C)n1 ZINC000032821747 525073019 /nfs/dbraw/zinc/07/30/19/525073019.db2.gz TUQWMKDJWMNCAQ-UHFFFAOYSA-N 0 0 400.527 2.870 50 0 HFAARN CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Br)c2)Oc2ccccc21 ZINC000020112123 525187938 /nfs/dbraw/zinc/18/79/38/525187938.db2.gz JMFSJXFRGKRVQX-OAHLLOKOSA-N 0 0 411.277 2.615 50 0 HFAARN COc1ccc2c(CC(=O)N3CCN(Cc4cn5ccccc5n4)CC3)coc2c1 ZINC000032836131 525499418 /nfs/dbraw/zinc/49/94/18/525499418.db2.gz GKIMKWHUVUWSJY-UHFFFAOYSA-N 0 0 404.470 2.976 50 0 HFAARN Cc1c(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccccc1F ZINC000040047255 525566768 /nfs/dbraw/zinc/56/67/68/525566768.db2.gz DGRNRILRWZHKIS-OAHLLOKOSA-N 0 0 417.462 2.742 50 0 HFAARN Cc1c(C(=O)NCCN2CCOCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCC1)O3 ZINC000020560095 525611221 /nfs/dbraw/zinc/61/12/21/525611221.db2.gz WQWIGACNDPOIOT-INIZCTEOSA-N 0 0 414.502 2.932 50 0 biogenic HFAARN Cc1ccc(S(=O)(=O)n2cc3c(n2)n(C(C)C)c(=O)n(C(C)C)c3=O)cc1Cl ZINC000032944440 525637026 /nfs/dbraw/zinc/63/70/26/525637026.db2.gz UFZQQGCLCNPPPE-UHFFFAOYSA-N 0 0 424.910 2.720 50 0 HFAARN Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3)N3CCOCC3)c(C)n2n1 ZINC000030701652 525670409 /nfs/dbraw/zinc/67/04/09/525670409.db2.gz CZLYTIKUAHYMHM-QFIPXVFZSA-N 0 0 421.545 2.777 50 0 HFAARN C[C@@]1(CSc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)NC(=O)NC1=O ZINC000032958328 525856573 /nfs/dbraw/zinc/85/65/73/525856573.db2.gz NXCPZRNZWMJFQG-QFIPXVFZSA-N 0 0 422.510 2.831 50 0 HFAARN CSc1nc(C)cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000032931355 526213463 /nfs/dbraw/zinc/21/34/63/526213463.db2.gz KWFKRPQKISSNEW-UHFFFAOYSA-N 0 0 409.309 2.946 50 0 HFAARN CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc4c(c3)OCO4)ccc21 ZINC000011613001 534913550 /nfs/dbraw/zinc/91/35/50/534913550.db2.gz ATALZCHAPOOSQK-UHFFFAOYSA-N 0 0 423.513 2.553 50 0 HFAARN CSc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)n1-c1ccccc1 ZINC000012547979 526221724 /nfs/dbraw/zinc/22/17/24/526221724.db2.gz ZHFSZSYZOKRISR-CYBMUJFWSA-N 0 0 424.482 2.877 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(Cc2ccccc2Cl)CC1 ZINC000056938945 526304411 /nfs/dbraw/zinc/30/44/11/526304411.db2.gz RCCYCDYLUOBRGW-GOSISDBHSA-N 0 0 422.982 2.835 50 0 HFAARN O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000044453522 526313324 /nfs/dbraw/zinc/31/33/24/526313324.db2.gz AAMGHEPJFIVRIZ-UHFFFAOYSA-N 0 0 401.576 2.839 50 0 HFAARN Cc1nn2c(ncc3c2ccn(CCCN2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040396360 526313379 /nfs/dbraw/zinc/31/33/79/526313379.db2.gz VNNSOSXTNLJJCY-UHFFFAOYSA-N 0 0 403.486 2.742 50 0 HFAARN O=C(NCCNc1ncccn1)c1cc(Br)c(Br)s1 ZINC000032913538 526340348 /nfs/dbraw/zinc/34/03/48/526340348.db2.gz GVJFAVBNYKNGAX-UHFFFAOYSA-N 0 0 406.103 2.905 50 0 HFAARN O=C(NCCc1ccc(OC(F)F)cc1)NCc1cccnc1N1CCOCC1 ZINC000043751488 526410455 /nfs/dbraw/zinc/41/04/55/526410455.db2.gz PEBRCFJXIZQFIC-UHFFFAOYSA-N 0 0 406.433 2.562 50 0 HFAARN O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000032744808 526412890 /nfs/dbraw/zinc/41/28/90/526412890.db2.gz BQZJUFFQNJPLFX-HNNXBMFYSA-N 0 0 419.524 2.667 50 0 HFAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000043986855 526441532 /nfs/dbraw/zinc/44/15/32/526441532.db2.gz XTFTTWIXUGQPDD-UHFFFAOYSA-N 0 0 411.487 2.784 50 0 HFAARN Cc1nc(SCCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n[nH]1 ZINC000072306947 526531651 /nfs/dbraw/zinc/53/16/51/526531651.db2.gz FQAHTNDPJGNBBO-UHFFFAOYSA-N 0 0 414.457 2.794 50 0 HFAARN O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N(Cc1ccncc1)C1CC1 ZINC000032906149 526538931 /nfs/dbraw/zinc/53/89/31/526538931.db2.gz JPOSSUGXRIJLTE-INIZCTEOSA-N 0 0 405.545 2.735 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000032768163 526555527 /nfs/dbraw/zinc/55/55/27/526555527.db2.gz NYJITVPKNOFHPP-MRVPVSSYSA-N 0 0 423.825 2.852 50 0 HFAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000032876383 526561724 /nfs/dbraw/zinc/56/17/24/526561724.db2.gz CMLYQCCJFGBRFY-LJQANCHMSA-N 0 0 421.497 2.651 50 0 HFAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000032376013 526579277 /nfs/dbraw/zinc/57/92/77/526579277.db2.gz RCBBQAPHYDOASY-WOJBJXKFSA-N 0 0 414.889 2.611 50 0 HFAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)N1CCC(Cc2ccccc2)CC1 ZINC000031557520 526757163 /nfs/dbraw/zinc/75/71/63/526757163.db2.gz XCIJODSUZQPNGU-QFIPXVFZSA-N 0 0 409.530 2.842 50 0 HFAARN Cc1oc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCC1 ZINC000042200745 526760000 /nfs/dbraw/zinc/76/00/00/526760000.db2.gz JUVIHOUWSSVKNK-UHFFFAOYSA-N 0 0 401.488 2.826 50 0 HFAARN O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000040161532 526763969 /nfs/dbraw/zinc/76/39/69/526763969.db2.gz XNIZGFVYUZMDQI-HNNXBMFYSA-N 0 0 419.831 2.621 50 0 HFAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000052689015 526782414 /nfs/dbraw/zinc/78/24/14/526782414.db2.gz BMBQAVIYQODBKG-UHFFFAOYSA-N 0 0 419.407 2.636 50 0 HFAARN Cc1nc(CCNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cs1 ZINC000032905527 526815084 /nfs/dbraw/zinc/81/50/84/526815084.db2.gz VDFSXZHXPSTVOI-UHFFFAOYSA-N 0 0 412.441 2.816 50 0 HFAARN Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cs1 ZINC000044852564 526815615 /nfs/dbraw/zinc/81/56/15/526815615.db2.gz BWXXFCFYUZCKRF-HNNXBMFYSA-N 0 0 402.476 2.851 50 0 HFAARN 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CCS(=O)(=O)c1ncc(CN2CCC[C@@H](CO)C2)n1CCCc1ccccc1 ZINC000011819265 558282392 /nfs/dbraw/zinc/28/23/92/558282392.db2.gz MSQNFMNAAZZMMI-LJQANCHMSA-N 0 0 405.564 2.514 50 0 HFAARN CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CCC)n2C[C@@H]2CCCO2)[nH]n1 ZINC000011819061 558282410 /nfs/dbraw/zinc/28/24/10/558282410.db2.gz QLTIXPHEELGKTG-IBGZPJMESA-N 0 0 423.583 2.553 50 0 HFAARN COc1ccc2c(c1OC)[C@@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O ZINC000019801395 558285569 /nfs/dbraw/zinc/28/55/69/558285569.db2.gz IBCXQWACMNKPCL-XLIONFOSSA-N 0 0 413.426 2.882 50 0 HFAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 ZINC000010670327 558285868 /nfs/dbraw/zinc/28/58/68/558285868.db2.gz XFPDCRHSQYJQSM-KRWDZBQOSA-N 0 0 402.520 2.743 50 0 HFAARN CCc1cc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1 ZINC000011840179 558286505 /nfs/dbraw/zinc/28/65/05/558286505.db2.gz QDOFDDIEFBZJJE-GOSISDBHSA-N 0 0 415.465 2.960 50 0 HFAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCOCC3)C2=O)cc1 ZINC000019816824 558287378 /nfs/dbraw/zinc/28/73/78/558287378.db2.gz NHMJZEMLHXRQTM-XMMPIXPASA-N 0 0 408.498 2.907 50 0 HFAARN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccnc1 ZINC000019818344 558288618 /nfs/dbraw/zinc/28/86/18/558288618.db2.gz WUBBLBGAYSLYRD-RTBURBONSA-N 0 0 408.458 2.583 50 0 HFAARN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000019818414 558288621 /nfs/dbraw/zinc/28/86/21/558288621.db2.gz FDLDCPCZDYXRIJ-PMACEKPBSA-N 0 0 423.469 2.894 50 0 HFAARN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000019818413 558288639 /nfs/dbraw/zinc/28/86/39/558288639.db2.gz FDLDCPCZDYXRIJ-UXHICEINSA-N 0 0 423.469 2.894 50 0 HFAARN NC(=O)C1CCN(C(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000011865889 558289988 /nfs/dbraw/zinc/28/99/88/558289988.db2.gz ZEUVXKBFDYDFRY-UHFFFAOYSA-N 0 0 413.421 2.975 50 0 HFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1 ZINC000011874037 558291660 /nfs/dbraw/zinc/29/16/60/558291660.db2.gz YZPWABDYZMLCBG-INIZCTEOSA-N 0 0 404.507 2.772 50 0 HFAARN O=C(/C=C/c1cccs1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000019838829 558293464 /nfs/dbraw/zinc/29/34/64/558293464.db2.gz HEMDCUJCKCXTNX-DVFFMCNPSA-N 0 0 415.534 2.684 50 0 HFAARN Cc1nc(CN2C[C@H](OCc3ccccn3)CN(Cc3ccoc3)CC2=O)cs1 ZINC000019851708 558295655 /nfs/dbraw/zinc/29/56/55/558295655.db2.gz UWCNQTQRBSGAGS-HXUWFJFHSA-N 0 0 412.515 2.869 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019852599 558295900 /nfs/dbraw/zinc/29/59/00/558295900.db2.gz WHIPHDLOPUWVHO-UHFFFAOYSA-N 0 0 412.515 2.633 50 0 HFAARN COc1ccc(CNC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1OC ZINC000019853448 558296119 /nfs/dbraw/zinc/29/61/19/558296119.db2.gz FFMMIICBYCYISQ-UHFFFAOYSA-N 0 0 412.515 2.814 50 0 HFAARN COc1cccc(CCNC(=O)c2cn(Cc3c(F)cccc3F)nn2)c1OC ZINC000011933939 558298358 /nfs/dbraw/zinc/29/83/58/558298358.db2.gz KAMURAKFEHSGPH-UHFFFAOYSA-N 0 0 402.401 2.594 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000019862730 558298646 /nfs/dbraw/zinc/29/86/46/558298646.db2.gz FWDPWEKTTXOMLS-UXPWSPDFSA-N 0 0 411.502 2.540 50 0 HFAARN COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(CC=C(C)C)CC2 ZINC000011973528 558305377 /nfs/dbraw/zinc/30/53/77/558305377.db2.gz DOJFPLFRFCJYKQ-UHFFFAOYSA-N 0 0 401.532 2.673 50 0 HFAARN CCCc1cc(C(=O)NC[C@H]2Cc3cccc(-c4cncc(C(N)=O)c4)c3O2)no1 ZINC000011977220 558305882 /nfs/dbraw/zinc/30/58/82/558305882.db2.gz GZYWEPWHHCAZFD-QGZVFWFLSA-N 0 0 406.442 2.522 50 0 HFAARN Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc12 ZINC000019909127 558306234 /nfs/dbraw/zinc/30/62/34/558306234.db2.gz PRQNCDPOUFVTMZ-KRWDZBQOSA-N 0 0 412.461 2.802 50 0 HFAARN COc1cccc(OC)c1CN1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000012034962 558311612 /nfs/dbraw/zinc/31/16/12/558311612.db2.gz USQJKULFZGZJFQ-GOSISDBHSA-N 0 0 415.538 2.577 50 0 HFAARN CCc1cc(C(=O)N2CCC[C@@H]3CN(C(=O)CCOc4ccccc4)CC[C@@H]32)n(C)n1 ZINC000012042231 558313052 /nfs/dbraw/zinc/31/30/52/558313052.db2.gz MOKROHPLXLIHNG-NQIIRXRSSA-N 0 0 424.545 2.905 50 0 HFAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000012048389 558313287 /nfs/dbraw/zinc/31/32/87/558313287.db2.gz TYFYSHNRQQFEOQ-YOEHRIQHSA-N 0 0 407.495 2.970 50 0 HFAARN O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccco1 ZINC000019953457 558315000 /nfs/dbraw/zinc/31/50/00/558315000.db2.gz FOMRYAWZPAEPSN-UHFFFAOYSA-N 0 0 417.872 2.694 50 0 HFAARN CCOc1cc(CN2CCN(C(=O)COc3ccc(OC)cc3)CC2)ccc1OC ZINC000019972662 558316275 /nfs/dbraw/zinc/31/62/75/558316275.db2.gz RNVDNVMVIOZLSW-UHFFFAOYSA-N 0 0 414.502 2.826 50 0 HFAARN C[C@H](C(=O)c1ccc(Cl)cc1)[C@@]1(O)c2ccccc2N(CN2CCOCC2)C1=O ZINC000019991248 558317371 /nfs/dbraw/zinc/31/73/71/558317371.db2.gz RIFJJPCNDAKXMQ-IVZQSRNASA-N 0 0 414.889 2.683 50 0 HFAARN O=C([C@H]1CCC(=O)N(CCCc2ccccc2)C1)N1CCC(Cn2cccn2)CC1 ZINC000012093155 558324694 /nfs/dbraw/zinc/32/46/94/558324694.db2.gz BHEMJMCMNVSKTQ-QFIPXVFZSA-N 0 0 408.546 2.993 50 0 HFAARN COC(=O)[C@@H](CCSC)NC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012112078 558326719 /nfs/dbraw/zinc/32/67/19/558326719.db2.gz YWINQNATNQCNBU-GOSISDBHSA-N 0 0 424.526 2.940 50 0 HFAARN O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000020057676 558329025 /nfs/dbraw/zinc/32/90/25/558329025.db2.gz JDQMTYZDNBPEHO-AWEZNQCLSA-N 0 0 408.332 2.736 50 0 HFAARN O=C(NC[C@@H]1CCCO1)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000012138772 558334576 /nfs/dbraw/zinc/33/45/76/558334576.db2.gz RKNVQIXHPCBAEL-KRWDZBQOSA-N 0 0 401.463 2.861 50 0 HFAARN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2 ZINC000012149197 558338607 /nfs/dbraw/zinc/33/86/07/558338607.db2.gz FCWLLNNJKNUNSH-QGZVFWFLSA-N 0 0 403.552 2.580 50 0 HFAARN O=C(c1cccs1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020167749 558343159 /nfs/dbraw/zinc/34/31/59/558343159.db2.gz OHCKYJQEQDENBW-GOSISDBHSA-N 0 0 413.543 2.899 50 0 HFAARN O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)nc1 ZINC000020223696 558349069 /nfs/dbraw/zinc/34/90/69/558349069.db2.gz ZBACUFJHKRZWAR-UHFFFAOYSA-N 0 0 422.557 2.582 50 0 HFAARN Cc1ccc(S(=O)(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2N)cc1C ZINC000020286419 558353661 /nfs/dbraw/zinc/35/36/61/558353661.db2.gz MFUJXARWKHVYKO-UHFFFAOYSA-N 0 0 419.894 2.602 50 0 HFAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C ZINC000020294235 558354163 /nfs/dbraw/zinc/35/41/63/558354163.db2.gz BBJGTSXRLGORAT-UHFFFAOYSA-N 0 0 406.899 2.922 50 0 HFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(CCN1CCOCC1)C3=O ZINC000020308543 558354857 /nfs/dbraw/zinc/35/48/57/558354857.db2.gz YCFIIPSQAJEHLX-OAQYLSRUSA-N 0 0 404.466 2.979 50 0 HFAARN O=C(c1cc2c(nc3ccccn3c2=O)s1)N1CCN(Cc2ccccc2)CC1 ZINC000020312409 558355030 /nfs/dbraw/zinc/35/50/30/558355030.db2.gz MUXLAABGWKQDJD-UHFFFAOYSA-N 0 0 404.495 2.867 50 0 HFAARN Cc1ccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000020394199 558359310 /nfs/dbraw/zinc/35/93/10/558359310.db2.gz QWWGSFLTSNNXIA-UHFFFAOYSA-N 0 0 414.849 2.623 50 0 HFAARN CN1CCc2c(sc3nc(N4CCOCC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020393463 558359325 /nfs/dbraw/zinc/35/93/25/558359325.db2.gz HIZZVELXKQMCAY-UHFFFAOYSA-N 0 0 416.934 2.925 50 0 HFAARN Cc1cc(=O)c(C(=O)NC(C)(C)CO)c(CCc2ccccc2)n1Cc1ccccn1 ZINC000012247144 558361913 /nfs/dbraw/zinc/36/19/13/558361913.db2.gz RRGUUQUGZIUFSD-UHFFFAOYSA-N 0 0 419.525 2.886 50 0 HFAARN COCCSc1nnc(CCNC(=O)C2(c3ccc(OC)cc3)CCCC2)n1C ZINC000012279334 558364864 /nfs/dbraw/zinc/36/48/64/558364864.db2.gz ZQXHLAATRCINPW-UHFFFAOYSA-N 0 0 418.563 2.733 50 0 HFAARN Fc1ccccc1Cc1noc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000020454156 558368076 /nfs/dbraw/zinc/36/80/76/558368076.db2.gz BDMPTYMVNKQVNX-UHFFFAOYSA-N 0 0 410.449 2.846 50 0 HFAARN O=C(NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000012303253 558372975 /nfs/dbraw/zinc/37/29/75/558372975.db2.gz LBSJBAJWABINHE-QGZVFWFLSA-N 0 0 421.476 2.708 50 0 HFAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C3CCOCC3)C2)c(OC)c1 ZINC000012314154 558377787 /nfs/dbraw/zinc/37/77/87/558377787.db2.gz FVPILLRQINKGOW-QGZVFWFLSA-N 0 0 418.534 2.765 50 0 HFAARN CCC(=O)[C@H]1CCCN(C(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)C1 ZINC000012314540 558378100 /nfs/dbraw/zinc/37/81/00/558378100.db2.gz SPGZFNMHKZQNLA-HNNXBMFYSA-N 0 0 415.490 2.828 50 0 HFAARN COc1cccc(CN2C[C@H](C(=O)N3CCC(Oc4cccnc4)CC3)CCC2=O)c1 ZINC000012320076 558381967 /nfs/dbraw/zinc/38/19/67/558381967.db2.gz JLZTXRXHDYRHGV-LJQANCHMSA-N 0 0 423.513 2.899 50 0 HFAARN Cc1cc(C)c(N2C(=O)c3ccccc3/C(=C\N[C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 ZINC000020533498 558384601 /nfs/dbraw/zinc/38/46/01/558384601.db2.gz GFUYIYSWMUOKPN-XNHPLOEXSA-N 0 0 424.522 2.916 50 0 HFAARN O=C(NCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000020533851 558385310 /nfs/dbraw/zinc/38/53/10/558385310.db2.gz UQEJQUCUOGCVRG-UHFFFAOYSA-N 0 0 419.481 2.735 50 0 HFAARN CCOC(=O)[C@](NCc1ccco1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000020609096 558389166 /nfs/dbraw/zinc/38/91/66/558389166.db2.gz ONWYKRGEPTYZKQ-KRWDZBQOSA-N 0 0 400.353 2.630 50 0 HFAARN COc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000012371754 558389833 /nfs/dbraw/zinc/38/98/33/558389833.db2.gz PNQPAGRMBXVLOS-UHFFFAOYSA-N 0 0 403.287 2.622 50 0 HFAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)c4ccnn4C)CC3)c2)s1 ZINC000012372847 558390232 /nfs/dbraw/zinc/39/02/32/558390232.db2.gz HKDZQLXCKOUVKU-UHFFFAOYSA-N 0 0 410.503 2.738 50 0 HFAARN Cc1cn2c3c(nc2n1Cc1ccccc1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000012374124 558391123 /nfs/dbraw/zinc/39/11/23/558391123.db2.gz ACLQQRBBJNGWNB-UHFFFAOYSA-N 0 0 417.444 2.694 50 0 HFAARN CCn1ncc(Br)c1CN(C)S(=O)(=O)c1cn(CC(C)C)nc1C ZINC000020614378 558392087 /nfs/dbraw/zinc/39/20/87/558392087.db2.gz BRQSYDWBMPPUTK-UHFFFAOYSA-N 0 0 418.361 2.647 50 0 HFAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)s1 ZINC000012385291 558394188 /nfs/dbraw/zinc/39/41/88/558394188.db2.gz LCILEETWSVUTGV-KRWDZBQOSA-N 0 0 400.504 2.870 50 0 HFAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000012386013 558394773 /nfs/dbraw/zinc/39/47/73/558394773.db2.gz DDJYSRREDSQXFM-VWLOTQADSA-N 0 0 420.509 2.907 50 0 HFAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3cnccn3)C2)c1 ZINC000012386998 558395786 /nfs/dbraw/zinc/39/57/86/558395786.db2.gz OWNRROXGNQUHAY-SFHVURJKSA-N 0 0 410.518 2.753 50 0 HFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCNC(=O)c1cccs1 ZINC000046201656 558398088 /nfs/dbraw/zinc/39/80/88/558398088.db2.gz IZLKGEBQGYVTCK-UHFFFAOYSA-N 0 0 400.479 2.778 50 0 HFAARN NC(=O)C1CCN(C(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)CC1 ZINC000012408733 558399591 /nfs/dbraw/zinc/39/95/91/558399591.db2.gz QPUZUCIQNPASQP-UHFFFAOYSA-N 0 0 413.421 2.975 50 0 HFAARN CCn1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)c2ccc(C)nc21 ZINC000020677569 558400350 /nfs/dbraw/zinc/40/03/50/558400350.db2.gz RMSAROWPPHJWNK-UHFFFAOYSA-N 0 0 406.486 2.809 50 0 HFAARN O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000020717018 558401582 /nfs/dbraw/zinc/40/15/82/558401582.db2.gz XQARZXOKMGPTFI-KRWDZBQOSA-N 0 0 409.877 2.967 50 0 HFAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCN3Cc4ccccc4C3=O)sc2c1 ZINC000020717164 558401607 /nfs/dbraw/zinc/40/16/07/558401607.db2.gz KRHMAMVZCYXNRM-UHFFFAOYSA-N 0 0 415.496 2.684 50 0 HFAARN CCc1ccccc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O ZINC000012413587 558401625 /nfs/dbraw/zinc/40/16/25/558401625.db2.gz BCQZPROVSWCIAZ-UHFFFAOYSA-N 0 0 400.438 2.749 50 0 HFAARN COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)c1 ZINC000020725830 558404657 /nfs/dbraw/zinc/40/46/57/558404657.db2.gz QGYINVXTURXYST-INIZCTEOSA-N 0 0 407.430 2.793 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1 ZINC000020732260 558406800 /nfs/dbraw/zinc/40/68/00/558406800.db2.gz TWLJBJAHDVIYFH-FPOVZHCZSA-N 0 0 422.460 2.990 50 0 HFAARN O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000020735147 558407739 /nfs/dbraw/zinc/40/77/39/558407739.db2.gz OMYDPKAGUZHDMT-KRWDZBQOSA-N 0 0 409.877 2.967 50 0 HFAARN Cc1ccc(C)c(-n2ncc3c2NC(=O)C[C@]32c3ccccc3N(CC(N)=O)C2=O)c1 ZINC000020745388 558410150 /nfs/dbraw/zinc/41/01/50/558410150.db2.gz AZTVHKCMLILEGF-QHCPKHFHSA-N 0 0 415.453 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O=C(COC(=O)c1ccc(Br)o1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000010802561 558455735 /nfs/dbraw/zinc/45/57/35/558455735.db2.gz CUQPWXXYXQYYQI-UHFFFAOYSA-N 0 0 418.146 2.757 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 ZINC000012756083 558460069 /nfs/dbraw/zinc/46/00/69/558460069.db2.gz FISVYJLNBYLLLB-AWEZNQCLSA-N 0 0 423.897 2.758 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n1-c1ccc(C)cc1C ZINC000004370374 558462468 /nfs/dbraw/zinc/46/24/68/558462468.db2.gz JPBCKEJAZMKNJM-UHFFFAOYSA-N 0 0 421.501 2.679 50 0 HFAARN O=C(CCNS(=O)(=O)c1ccccc1Br)Nc1nc2ccccc2[nH]1 ZINC000012776917 558462843 /nfs/dbraw/zinc/46/28/43/558462843.db2.gz ZOOXLKUTVCYDPB-UHFFFAOYSA-N 0 0 423.292 2.633 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)c1 ZINC000012781878 558463032 /nfs/dbraw/zinc/46/30/32/558463032.db2.gz BEXUYWAKLMBWDK-UHFFFAOYSA-N 0 0 414.421 2.890 50 0 HFAARN COC(=O)c1cccnc1Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012789530 558464652 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CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000012977319 558491905 /nfs/dbraw/zinc/49/19/05/558491905.db2.gz HCAAKQGBBBBMRV-UHFFFAOYSA-N 0 0 402.882 2.530 50 0 HFAARN Cc1oc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2c1c(C)n[nH]c2=O ZINC000010844211 558492310 /nfs/dbraw/zinc/49/23/10/558492310.db2.gz MMISFLMYPUCCCM-OAHLLOKOSA-N 0 0 424.457 2.680 50 0 HFAARN COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022508928 558492431 /nfs/dbraw/zinc/49/24/31/558492431.db2.gz RRMZTZJVFHDJJU-KRWDZBQOSA-N 0 0 410.518 2.798 50 0 HFAARN CCc1ccc([C@H](C)NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000012982097 558493847 /nfs/dbraw/zinc/49/38/47/558493847.db2.gz BZSHURSNTBJHLD-HNNXBMFYSA-N 0 0 417.531 2.753 50 0 HFAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012984099 558494539 /nfs/dbraw/zinc/49/45/39/558494539.db2.gz AWOMJJLZCVZTAT-UHFFFAOYSA-N 0 0 404.470 2.934 50 0 HFAARN COc1cc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc(OC)c1OC ZINC000012994899 558498199 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Cc1ccc(-n2cc(C3=CCN(CC(=O)N4CCC5(CC4)OCCO5)CC3)cn2)cc1 ZINC000032995895 558810387 /nfs/dbraw/zinc/81/03/87/558810387.db2.gz ZLQZVLLJQKNYCX-UHFFFAOYSA-N 0 0 422.529 2.635 50 0 HFAARN Cc1ccc2snc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c2c1 ZINC000032996717 558811060 /nfs/dbraw/zinc/81/10/60/558811060.db2.gz AUNXKNQRRNANKC-UHFFFAOYSA-N 0 0 419.503 2.891 50 0 HFAARN Cc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1S(=O)(=O)N1CCOCC1 ZINC000017070364 558813689 /nfs/dbraw/zinc/81/36/89/558813689.db2.gz KNNCGWUDNPPWBD-UHFFFAOYSA-N 0 0 416.547 2.709 50 0 HFAARN Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)o1 ZINC000017083135 558815588 /nfs/dbraw/zinc/81/55/88/558815588.db2.gz CECMTGMXKYKRCF-UHFFFAOYSA-N 0 0 405.339 2.919 50 0 HFAARN Cc1nc(NC(=O)CSc2nnc(-c3ccccc3)n2C)sc1C(=O)N(C)C ZINC000017090730 558819472 /nfs/dbraw/zinc/81/94/72/558819472.db2.gz BDIBJNWAXMIWDI-UHFFFAOYSA-N 0 0 416.532 2.680 50 0 HFAARN CCCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 ZINC000039537953 558822143 /nfs/dbraw/zinc/82/21/43/558822143.db2.gz JBBMNCYWBJDTQX-JOCHJYFZSA-N 0 0 400.567 2.987 50 0 HFAARN CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1C(C)(C)O ZINC000017094061 558822516 /nfs/dbraw/zinc/82/25/16/558822516.db2.gz QFFXESKPELBHJY-UHFFFAOYSA-N 0 0 424.548 2.593 50 0 HFAARN COC(=O)c1cc(CNC(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)ccc1OC ZINC000032999565 558825967 /nfs/dbraw/zinc/82/59/67/558825967.db2.gz NIOZYNNSFDQBFZ-LBPRGKRZSA-N 0 0 404.850 2.570 50 0 HFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000032999973 558826391 /nfs/dbraw/zinc/82/63/91/558826391.db2.gz IWRKCYMSBXNSOA-QGZVFWFLSA-N 0 0 421.950 2.711 50 0 HFAARN O=C(NCc1cccnc1)c1[nH]cnc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000033003750 558827067 /nfs/dbraw/zinc/82/70/67/558827067.db2.gz JCBSSYKBRIUDNV-UHFFFAOYSA-N 0 0 403.486 2.830 50 0 HFAARN C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(Br)cn1 ZINC000018247578 558834530 /nfs/dbraw/zinc/83/45/30/558834530.db2.gz OAEVASJEOZJTPV-SECBINFHSA-N 0 0 409.309 2.926 50 0 HFAARN CC(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nnn3C(C)C)C1 ZINC000033023474 558840215 /nfs/dbraw/zinc/84/02/15/558840215.db2.gz KFLCYKWNQXCSLO-MRXNPFEDSA-N 0 0 421.567 2.575 50 0 HFAARN O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000072314248 558843070 /nfs/dbraw/zinc/84/30/70/558843070.db2.gz OUCXUXVHIPIGCV-INIZCTEOSA-N 0 0 405.907 2.945 50 0 HFAARN COc1ccccc1C(=O)NCCc1nc2cc(NC(=O)[C@H]3CCCO3)ccc2n1C ZINC000033025971 558847049 /nfs/dbraw/zinc/84/70/49/558847049.db2.gz ACYWVNHSUDKSEN-HXUWFJFHSA-N 0 0 422.485 2.672 50 0 HFAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)c1 ZINC000049547790 558849995 /nfs/dbraw/zinc/84/99/95/558849995.db2.gz ANYRTLJPGBXFLN-UHFFFAOYSA-N 0 0 413.405 2.714 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(NC(C)=O)c3)n2)c(F)c1 ZINC000049550866 558850186 /nfs/dbraw/zinc/85/01/86/558850186.db2.gz VROUVIOMXVCSEL-UHFFFAOYSA-N 0 0 410.405 2.655 50 0 HFAARN COCc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(OC)c3)c2)s1 ZINC000033027562 558850685 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O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCc2ccccc21 ZINC000072329643 558864886 /nfs/dbraw/zinc/86/48/86/558864886.db2.gz WDURFDHXIBNINH-UHFFFAOYSA-N 0 0 401.426 2.652 50 0 HFAARN COc1ccc([C@@H]2NC3=NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 ZINC000054314126 558867382 /nfs/dbraw/zinc/86/73/82/558867382.db2.gz VWIWPYCZKOWENP-GHTZIAJQSA-N 0 0 418.501 2.767 50 0 HFAARN Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)c2)no1 ZINC000033086510 558871020 /nfs/dbraw/zinc/87/10/20/558871020.db2.gz RKPYYZAOCPNSOU-UHFFFAOYSA-N 0 0 418.519 2.505 50 0 HFAARN O=C(NCc1ccccc1Cl)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccccc1 ZINC000055108218 558872890 /nfs/dbraw/zinc/87/28/90/558872890.db2.gz CZSUXNJZSWHNNV-KJRVTTDBSA-N 0 0 422.920 2.972 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)N1CCCCO1 ZINC000055195726 558875468 /nfs/dbraw/zinc/87/54/68/558875468.db2.gz LYTWEPWZUXIZLT-QFIPXVFZSA-N 0 0 407.514 2.563 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCC(c2ccccc2)CC1 ZINC000055252447 558877222 /nfs/dbraw/zinc/87/72/22/558877222.db2.gz JHKKCLKKSJKXCK-JOCHJYFZSA-N 0 0 409.505 2.922 50 0 HFAARN O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000019369125 558877763 /nfs/dbraw/zinc/87/77/63/558877763.db2.gz NWEXMLZZPPOAIQ-UHFFFAOYSA-N 0 0 403.276 2.951 50 0 HFAARN Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCCc3ccccc32)n1 ZINC000019371354 558879179 /nfs/dbraw/zinc/87/91/79/558879179.db2.gz FMXFTLMKAWTVPQ-UHFFFAOYSA-N 0 0 415.545 2.856 50 0 HFAARN CN(Cc1cc2ccccc2s1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000055327458 558879396 /nfs/dbraw/zinc/87/93/96/558879396.db2.gz HEQNBNWZWUGBMR-OALUTQOASA-N 0 0 402.541 2.767 50 0 HFAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C ZINC000033123002 558879683 /nfs/dbraw/zinc/87/96/83/558879683.db2.gz ODVCRJFBVBWKHM-GFCCVEGCSA-N 0 0 404.492 2.616 50 0 HFAARN O=C(NCCc1ccncc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000055386307 558880878 /nfs/dbraw/zinc/88/08/78/558880878.db2.gz XUKLKNGKHTXDIF-UHFFFAOYSA-N 0 0 409.465 2.503 50 0 HFAARN O=C(CN1CCN(Cc2ccccc2F)S1(=O)=O)Nc1ccc(Cl)cc1F ZINC000033045525 558882507 /nfs/dbraw/zinc/88/25/07/558882507.db2.gz DWJSATPMRKDXFV-UHFFFAOYSA-N 0 0 415.849 2.619 50 0 HFAARN CCS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000019427409 558885604 /nfs/dbraw/zinc/88/56/04/558885604.db2.gz KMXIHUXLXQMAHJ-UHFFFAOYSA-N 0 0 407.488 2.515 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2[C@H]3C(=O)N(Cc4ccccc4)C[C@@]34C=C[C@]2(C)O4)cc1 ZINC000004672320 558886211 /nfs/dbraw/zinc/88/62/11/558886211.db2.gz UBDDMOSHFBJPKQ-QKYMMTCKSA-N 0 0 418.493 2.684 50 0 biogenic HFAARN CCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000033131130 558887527 /nfs/dbraw/zinc/88/75/27/558887527.db2.gz RDXDJDGKVNWIDE-UHFFFAOYSA-N 0 0 423.425 2.710 50 0 HFAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3cccnc3)C(=O)[C@H]12 ZINC000004676494 558889245 /nfs/dbraw/zinc/88/92/45/558889245.db2.gz WVKYNTDGLAAWCC-HRZAVBMWSA-N 0 0 409.445 2.793 50 0 HFAARN O=C(NCc1cccnc1-n1cncn1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000057992023 558892904 /nfs/dbraw/zinc/89/29/04/558892904.db2.gz FHGCDGFMNNJPJB-UHFFFAOYSA-N 0 0 403.402 2.829 50 0 HFAARN CC(C)CN(C)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 ZINC000058062606 558897539 /nfs/dbraw/zinc/89/75/39/558897539.db2.gz IOOGNHIZUWIACM-UHFFFAOYSA-N 0 0 414.594 2.939 50 0 HFAARN CC(C)CCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1O ZINC000004687629 558898182 /nfs/dbraw/zinc/89/81/82/558898182.db2.gz MJNAIGPBEKELQH-UHFFFAOYSA-N 0 0 419.547 2.725 50 0 HFAARN CCN(CCCNC(=O)c1ccccc1SCc1cscn1)S(C)(=O)=O ZINC000058088239 558898477 /nfs/dbraw/zinc/89/84/77/558898477.db2.gz CKSHFKHZOGTXMC-UHFFFAOYSA-N 0 0 413.590 2.837 50 0 HFAARN CCOc1ccc2oc(C(=O)OCC(=O)Nc3nc(OC)cc(OC)n3)c(C)c2c1 ZINC000011166087 558900158 /nfs/dbraw/zinc/90/01/58/558900158.db2.gz VTBYUOFGKYVNGO-UHFFFAOYSA-N 0 0 415.402 2.743 50 0 HFAARN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCOCC4)cn3)CC2=O)c1 ZINC000058154150 558902692 /nfs/dbraw/zinc/90/26/92/558902692.db2.gz KOSLFKRQAKYSJC-HNNXBMFYSA-N 0 0 412.515 2.632 50 0 HFAARN NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000004696255 558905887 /nfs/dbraw/zinc/90/58/87/558905887.db2.gz SEOVEOFNEBEWNM-UHFFFAOYSA-N 0 0 409.467 2.516 50 0 HFAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000058164912 558906753 /nfs/dbraw/zinc/90/67/53/558906753.db2.gz UODBBYWCCIRPTK-UHFFFAOYSA-N 0 0 417.465 2.907 50 0 HFAARN CNC(=O)c1ccn(-c2ccc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)cc2)n1 ZINC000058166457 558906967 /nfs/dbraw/zinc/90/69/67/558906967.db2.gz VNPABTIRAILSAK-IBGZPJMESA-N 0 0 407.405 2.503 50 0 HFAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000004698972 558906977 /nfs/dbraw/zinc/90/69/77/558906977.db2.gz OGQOQURVSVRVLR-UUASQNMZSA-N 0 0 413.817 2.909 50 0 HFAARN C[C@H](c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)cc1)[NH+](C)C ZINC000071751638 558909101 /nfs/dbraw/zinc/90/91/01/558909101.db2.gz VTNLQIVVCWFWLI-OAHLLOKOSA-N 0 0 418.515 2.695 50 0 HFAARN CCCC(=O)Nc1ccc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC000058175604 558909445 /nfs/dbraw/zinc/90/94/45/558909445.db2.gz XWTSXEHUJLWFMN-UHFFFAOYSA-N 0 0 409.490 2.683 50 0 HFAARN CCOc1cc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC ZINC000019532077 558912439 /nfs/dbraw/zinc/91/24/39/558912439.db2.gz CZVBMFBAIWGXHS-UHFFFAOYSA-N 0 0 404.532 2.909 50 0 HFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000058246407 558914656 /nfs/dbraw/zinc/91/46/56/558914656.db2.gz HSPLFSVBBFOXKE-CYBMUJFWSA-N 0 0 406.451 2.676 50 0 HFAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000058247184 558914890 /nfs/dbraw/zinc/91/48/90/558914890.db2.gz YJHXTCPRAQYXRK-UHFFFAOYSA-N 0 0 422.485 2.663 50 0 HFAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1 ZINC000033249305 558916165 /nfs/dbraw/zinc/91/61/65/558916165.db2.gz BGSHKCKQGKOSRU-UHFFFAOYSA-N 0 0 414.458 2.988 50 0 HFAARN Cc1cc2ncn(C[C@H](O)CNC(=O)CCc3nc(-c4ccccc4)no3)c2cc1C ZINC000058282227 558916485 /nfs/dbraw/zinc/91/64/85/558916485.db2.gz CKSXFIQGFPCRSP-GOSISDBHSA-N 0 0 419.485 2.813 50 0 HFAARN 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568608878 /nfs/dbraw/zinc/60/88/78/568608878.db2.gz VIDGWVCWOHXPCZ-PXNSSMCTSA-N 0 0 418.563 2.726 50 0 HFAARN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](C(C)C)N3CCCS3(=O)=O)cc2)n1 ZINC000095430595 568608903 /nfs/dbraw/zinc/60/89/03/568608903.db2.gz VIDGWVCWOHXPCZ-YLJYHZDGSA-N 0 0 418.563 2.726 50 0 HFAARN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](C)Sc1nncn1C ZINC000095431317 568609157 /nfs/dbraw/zinc/60/91/57/568609157.db2.gz FIPPDZFHDCYRPP-CYBMUJFWSA-N 0 0 405.524 2.558 50 0 HFAARN NC(=O)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)C2CC2)cc1 ZINC000040069374 568611766 /nfs/dbraw/zinc/61/17/66/568611766.db2.gz GVYUTUFRRANETM-HXUWFJFHSA-N 0 0 417.509 2.818 50 0 HFAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)c1ccc(F)cc1F ZINC000095452275 568615084 /nfs/dbraw/zinc/61/50/84/568615084.db2.gz XJYZCSJCRNNEEI-SECBINFHSA-N 0 0 404.822 2.522 50 0 HFAARN C[C@@H]1CN(c2ccc(NC(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)cc2)C[C@H](C)O1 ZINC000095461126 568620498 /nfs/dbraw/zinc/62/04/98/568620498.db2.gz 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Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)N5CCN(C)CC5)C4)sc3n2)cc1 ZINC000020531955 568627772 /nfs/dbraw/zinc/62/77/72/568627772.db2.gz JSWABPRDNGXJAK-GOSISDBHSA-N 0 0 424.574 2.757 50 0 HFAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000095473098 568628548 /nfs/dbraw/zinc/62/85/48/568628548.db2.gz YGMPOTNHQNAJDX-AWEZNQCLSA-N 0 0 406.442 2.963 50 0 HFAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000095475550 568630008 /nfs/dbraw/zinc/63/00/08/568630008.db2.gz HKKKWWYCDHFXJP-YCRPNKLZSA-N 0 0 401.894 2.717 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ccc(OC)nn4)C3)c2c1 ZINC000095478551 568631743 /nfs/dbraw/zinc/63/17/43/568631743.db2.gz FONPMTFNXQPOAN-INIZCTEOSA-N 0 0 409.490 2.550 50 0 HFAARN COCCn1cc(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC000095478653 568631985 /nfs/dbraw/zinc/63/19/85/568631985.db2.gz CVFUEJYVMGDSIJ-UHFFFAOYSA-N 0 0 418.490 2.559 50 0 HFAARN CC(C)Cn1cnc2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2c1=O ZINC000095479506 568632474 /nfs/dbraw/zinc/63/24/74/568632474.db2.gz WQNVEQMTJYMPPW-UHFFFAOYSA-N 0 0 417.469 2.791 50 0 HFAARN Nc1nc(O)c([C@]2(O)c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)s1 ZINC000095481323 568633691 /nfs/dbraw/zinc/63/36/91/568633691.db2.gz UINSKUUFZXNLBL-RDTXWAMCSA-N 0 0 422.293 2.685 50 0 HFAARN Cc1cccc(-c2ccc(CNC(=O)N3CCCN(S(C)(=O)=O)CC3)cc2)c1 ZINC000225397491 568634019 /nfs/dbraw/zinc/63/40/19/568634019.db2.gz OQQRZZWCTHIWDB-UHFFFAOYSA-N 0 0 401.532 2.839 50 0 HFAARN Cc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)cc1Cl ZINC000020611621 568637161 /nfs/dbraw/zinc/63/71/61/568637161.db2.gz JCOUYEIUQBVXMR-IBGZPJMESA-N 0 0 422.872 2.910 50 0 biogenic HFAARN Cc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)cc1Cl ZINC000020611623 568637214 /nfs/dbraw/zinc/63/72/14/568637214.db2.gz JCOUYEIUQBVXMR-LJQANCHMSA-N 0 0 422.872 2.910 50 0 biogenic HFAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737323 568641210 /nfs/dbraw/zinc/64/12/10/568641210.db2.gz DEGDRFDXFHBWKP-ZHZULCJRSA-N 0 0 409.511 2.834 50 0 HFAARN CNC(=O)C[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 ZINC000225475786 568641278 /nfs/dbraw/zinc/64/12/78/568641278.db2.gz RNTKMMAJAYFNGI-GOSISDBHSA-N 0 0 408.458 2.671 50 0 HFAARN CC(C)c1nnc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)n1C ZINC000225525586 568647050 /nfs/dbraw/zinc/64/70/50/568647050.db2.gz DWOLUXNSQPYFDA-NRFANRHFSA-N 0 0 401.511 2.995 50 0 HFAARN Cc1cc(C)cc(NC(=O)Cn2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c1 ZINC000020933346 568652205 /nfs/dbraw/zinc/65/22/05/568652205.db2.gz XHCNZRFJAWQWCZ-UHFFFAOYSA-N 0 0 407.409 2.972 50 0 HFAARN CC[C@H](CN1CCOCC1)NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000020941551 568652513 /nfs/dbraw/zinc/65/25/13/568652513.db2.gz AAKCAWLERUOCMR-QGZVFWFLSA-N 0 0 400.523 2.890 50 0 HFAARN COc1cccc(NC(=O)CNC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)c1 ZINC000020992447 568655982 /nfs/dbraw/zinc/65/59/82/568655982.db2.gz JEAMWSBPIQXFOK-UHFFFAOYSA-N 0 0 403.435 2.536 50 0 HFAARN 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413.426 2.974 50 0 HFAARN O=C(Oc1ccccc1)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000003667861 568924407 /nfs/dbraw/zinc/92/44/07/568924407.db2.gz LBLPDFFCLTTYRJ-UHFFFAOYSA-N 0 0 402.428 2.816 50 0 biogenic HFAARN COc1ccc2[nH]c(CNC(=O)C34C[C@H]5C[C@@H](C3)CC(n3cncn3)(C5)C4)nc2c1 ZINC000670450648 568925146 /nfs/dbraw/zinc/92/51/46/568925146.db2.gz QPGVDBJLJATQLK-BXBLUCELSA-N 0 0 406.490 2.775 50 0 HFAARN CCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000012737283 568925207 /nfs/dbraw/zinc/92/52/07/568925207.db2.gz RKFBACHNJJWWRB-UHFFFAOYSA-N 0 0 424.530 2.993 50 0 HFAARN Cn1c(=O)n(Cc2ccccc2Br)c(=O)c2ccc(C(F)(F)F)nc21 ZINC000031451771 568926467 /nfs/dbraw/zinc/92/64/67/568926467.db2.gz OKKPGPDIRHWRAS-UHFFFAOYSA-N 0 0 414.181 2.925 50 0 HFAARN CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccsc1-n1c(C)ccc1C ZINC000012740841 568929099 /nfs/dbraw/zinc/92/90/99/568929099.db2.gz ACSFVYSVOGIKMP-UHFFFAOYSA-N 0 0 405.520 2.686 50 0 HFAARN O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000031718603 568929669 /nfs/dbraw/zinc/92/96/69/568929669.db2.gz VSGARQJHNLPQFQ-UHFFFAOYSA-N 0 0 408.433 2.988 50 0 HFAARN Cc1ccc(-c2nn(CN3CCN(c4ncccn4)CC3)c(=O)c3ccccc32)cc1 ZINC000031732460 568929885 /nfs/dbraw/zinc/92/98/85/568929885.db2.gz CJMCHJWNLVHPJT-UHFFFAOYSA-N 0 0 412.497 2.942 50 0 HFAARN Cc1cc(CNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1F ZINC000012743710 568930200 /nfs/dbraw/zinc/93/02/00/568930200.db2.gz ROFPCHYHLDNBJU-UHFFFAOYSA-N 0 0 402.445 2.739 50 0 HFAARN CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000083987444 568931093 /nfs/dbraw/zinc/93/10/93/568931093.db2.gz FMKUGHIXKDLNKN-HNNXBMFYSA-N 0 0 414.314 2.901 50 0 HFAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012745251 568931182 /nfs/dbraw/zinc/93/11/82/568931182.db2.gz GBTCXGJVIVZNQQ-AWEZNQCLSA-N 0 0 407.474 2.534 50 0 HFAARN CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004004804 568932953 /nfs/dbraw/zinc/93/29/53/568932953.db2.gz 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/nfs/dbraw/zinc/97/75/65/568977565.db2.gz IOOYMDHRZUFZBO-UHFFFAOYSA-N 0 0 409.471 2.947 50 0 HFAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)cc1C ZINC000015725760 568977727 /nfs/dbraw/zinc/97/77/27/568977727.db2.gz XACLPQCLIZCAOV-UHFFFAOYSA-N 0 0 405.495 2.834 50 0 HFAARN CSc1cccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)c1 ZINC000015725770 568977846 /nfs/dbraw/zinc/97/78/46/568977846.db2.gz JSCQJUYJSYENOT-UHFFFAOYSA-N 0 0 423.535 2.939 50 0 HFAARN COc1cc(OC)cc(C(=O)NC(=S)NN2CCCC[C@@H]2c2cccnc2)c1 ZINC000001442191 568977967 /nfs/dbraw/zinc/97/79/67/568977967.db2.gz LUHOOCVOKARLML-GOSISDBHSA-N 0 0 400.504 2.845 50 0 biogenic HFAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N(C)Cc1ccccc1 ZINC000015726787 568978170 /nfs/dbraw/zinc/97/81/70/568978170.db2.gz BAVDOCVCRGWNNW-CQSZACIVSA-N 0 0 418.540 2.799 50 0 HFAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000012800231 568978568 /nfs/dbraw/zinc/97/85/68/568978568.db2.gz XEJNKRBEEMRPPN-UHFFFAOYSA-N 0 0 408.546 2.518 50 0 HFAARN 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/nfs/dbraw/zinc/19/57/24/569195724.db2.gz NJCBJONMTYKOFB-UHFFFAOYSA-N 0 0 400.406 2.811 50 0 HFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(C)ccc2C)c1N ZINC000006999745 569196854 /nfs/dbraw/zinc/19/68/54/569196854.db2.gz XKINMYNJSUECGG-UHFFFAOYSA-N 0 0 408.462 2.767 50 0 HFAARN O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)NC(=O)NC1CC1 ZINC000006994748 569197158 /nfs/dbraw/zinc/19/71/58/569197158.db2.gz GYOOGFLUDHYDAS-UHFFFAOYSA-N 0 0 420.926 2.601 50 0 HFAARN Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc1C ZINC000065213896 569197595 /nfs/dbraw/zinc/19/75/95/569197595.db2.gz LAEFDQLAABSETL-UHFFFAOYSA-N 0 0 417.531 2.669 50 0 HFAARN CCOc1ccccc1NC(=O)Cn1ccnc1-c1ccnc(N2CCOCC2)c1 ZINC000065220551 569198079 /nfs/dbraw/zinc/19/80/79/569198079.db2.gz IMRMGFHQRBFDMV-UHFFFAOYSA-N 0 0 407.474 2.819 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 ZINC000007000898 569198646 /nfs/dbraw/zinc/19/86/46/569198646.db2.gz VXTMQZCQVPVCSR-UHFFFAOYSA-N 0 0 404.488 2.670 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000007001902 569198800 /nfs/dbraw/zinc/19/88/00/569198800.db2.gz AOFRLKPXYJCZBU-UHFFFAOYSA-N 0 0 411.487 2.955 50 0 HFAARN CN(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007007757 569199528 /nfs/dbraw/zinc/19/95/28/569199528.db2.gz GDLGIYOAKUEOKA-UHFFFAOYSA-N 0 0 402.925 2.603 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3ccc(Cl)cc3c1=O)CC2 ZINC000007007014 569199814 /nfs/dbraw/zinc/19/98/14/569199814.db2.gz CEGBCRNUQDRVFM-UHFFFAOYSA-N 0 0 413.861 2.652 50 0 HFAARN CC[C@@H](C)[C@@H](CO)NC(=O)Cc1csc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000036576060 569201005 /nfs/dbraw/zinc/20/10/05/569201005.db2.gz ZMQGKMWFJJXIFI-IUODEOHRSA-N 0 0 408.520 2.902 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1F)C(=O)OC ZINC000036575428 569201028 /nfs/dbraw/zinc/20/10/28/569201028.db2.gz ODNIKYXMQGDJFM-LSKLOWJMSA-N 0 0 406.433 2.933 50 0 HFAARN Cc1nn(CC(=O)Nc2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000007025422 569201548 /nfs/dbraw/zinc/20/15/48/569201548.db2.gz YYZJCODCXFPBTK-UHFFFAOYSA-N 0 0 404.536 2.868 50 0 HFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)cc1 ZINC000007019261 569201921 /nfs/dbraw/zinc/20/19/21/569201921.db2.gz RYGCUAJNHQWHRC-WNSKOXEYSA-N 0 0 420.469 2.526 50 0 HFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccc(F)cc2N3C)c(OC)c1 ZINC000065233269 569202216 /nfs/dbraw/zinc/20/22/16/569202216.db2.gz DLTIWHWFHCRXGW-UHFFFAOYSA-N 0 0 413.449 2.655 50 0 biogenic HFAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC5)n4)ccn3n2)cc1 ZINC000065235844 569202525 /nfs/dbraw/zinc/20/25/25/569202525.db2.gz AKDSGZCFWZFWOC-UHFFFAOYSA-N 0 0 404.474 2.753 50 0 HFAARN C[C@H]1CCCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)C1 ZINC000065235931 569202596 /nfs/dbraw/zinc/20/25/96/569202596.db2.gz KOXMAVXXKHOBNA-INIZCTEOSA-N 0 0 404.474 2.826 50 0 HFAARN C=C1C(N2CCCN(C(=O)C3CC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065239275 569203223 /nfs/dbraw/zinc/20/32/23/569203223.db2.gz CYSKXEZMKGRNQW-UHFFFAOYSA-N 0 0 407.923 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/nfs/dbraw/zinc/20/76/69/569207669.db2.gz ABNBPCBCPMSTDI-UHFFFAOYSA-N 0 0 404.474 2.713 50 0 HFAARN CC(=O)N1CCC(n2c(C)nc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)CC1 ZINC000065257389 569208610 /nfs/dbraw/zinc/20/86/10/569208610.db2.gz PQZRWWIYXUPVFW-UHFFFAOYSA-N 0 0 423.561 2.641 50 0 HFAARN CC[C@@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)C12CC3CC(CC(C3)C1)C2 ZINC000036612411 569209089 /nfs/dbraw/zinc/20/90/89/569209089.db2.gz FIOSDNVZWSIVIJ-LZGZYFLISA-N 0 0 414.550 2.617 50 0 HFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1C ZINC000036614512 569209530 /nfs/dbraw/zinc/20/95/30/569209530.db2.gz YZZQSMCJEIBXBE-UHFFFAOYSA-N 0 0 414.934 2.819 50 0 HFAARN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCCCn3nccc3C3CC3)c12 ZINC000036618973 569210402 /nfs/dbraw/zinc/21/04/02/569210402.db2.gz UWURUCNMQLKSPD-UHFFFAOYSA-N 0 0 405.462 2.826 50 0 HFAARN COCCN=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065259885 569210886 /nfs/dbraw/zinc/21/08/86/569210886.db2.gz PKPDRVRXFFJSOQ-QHCPKHFHSA-N 0 0 422.485 2.782 50 0 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CCC(CC)NC(=O)[C@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273591 569216173 /nfs/dbraw/zinc/21/61/73/569216173.db2.gz PGWNOSKFRUDXEQ-HNNXBMFYSA-N 0 0 406.596 2.857 50 0 HFAARN Cc1scc2nc(C(=O)N3CCN(c4ccccn4)CC3)nc(N3CCCC3)c12 ZINC000065283183 569216535 /nfs/dbraw/zinc/21/65/35/569216535.db2.gz MBACQGMINOYHMP-UHFFFAOYSA-N 0 0 408.531 2.957 50 0 HFAARN CCC(=O)NCc1nc2c(n1C)CN(C(=O)c1cccc(OC(F)(F)F)c1)CC2 ZINC000065284527 569216700 /nfs/dbraw/zinc/21/67/00/569216700.db2.gz MNTXNXXGPPFKIG-UHFFFAOYSA-N 0 0 410.396 2.543 50 0 HFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1n[nH]c(-c2cccs2)n1 ZINC000007061771 569216970 /nfs/dbraw/zinc/21/69/70/569216970.db2.gz VMDZIJGKGXKORB-UHFFFAOYSA-N 0 0 405.480 2.862 50 0 HFAARN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000007062164 569217054 /nfs/dbraw/zinc/21/70/54/569217054.db2.gz ORIXMJCRFWHPMI-GOSISDBHSA-N 0 0 408.520 2.684 50 0 HFAARN Cc1nn(Cc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000007065670 569217214 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COc1ccccc1NC(=O)Cn1nc2cc(C)nc(Nc3ccc(C)cc3)n2c1=O ZINC000065307802 569219867 /nfs/dbraw/zinc/21/98/67/569219867.db2.gz JCDVOOYYVPSZNG-UHFFFAOYSA-N 0 0 418.457 2.899 50 0 HFAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)NCc4ccccc4)c(=O)n32)cc1 ZINC000065307821 569219971 /nfs/dbraw/zinc/21/99/71/569219971.db2.gz MAOVJWKHJXRUQW-UHFFFAOYSA-N 0 0 402.458 2.568 50 0 HFAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000065306184 569220531 /nfs/dbraw/zinc/22/05/31/569220531.db2.gz BFRJEQZKPHXKBE-UHFFFAOYSA-N 0 0 415.910 2.996 50 0 HFAARN Cc1cc(N2CCC(C)CC2)n2nc(CN3CCN(c4ccccc4)CC3)nc2n1 ZINC000065311610 569220864 /nfs/dbraw/zinc/22/08/64/569220864.db2.gz HIDSJXAWUQCHIY-UHFFFAOYSA-N 0 0 405.550 2.991 50 0 HFAARN CCCc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)nc2nnc(C)n21 ZINC000065312037 569221089 /nfs/dbraw/zinc/22/10/89/569221089.db2.gz TXTJISMOXONGOD-MRXNPFEDSA-N 0 0 408.506 2.501 50 0 HFAARN CCc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc2nncn21 ZINC000065311891 569221118 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CCOC(=O)[C@H]1CCc2sc(NC(=O)COc3ccc4c(c3)C(=O)CC4)nc21 ZINC000036708217 569222175 /nfs/dbraw/zinc/22/21/75/569222175.db2.gz UAYGXCPKGOHWOK-ZDUSSCGKSA-N 0 0 400.456 2.882 50 0 HFAARN O=C(NCc1ccccn1)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312982 569222355 /nfs/dbraw/zinc/22/23/55/569222355.db2.gz WTIISGYAUATMLZ-CYBMUJFWSA-N 0 0 404.396 2.676 50 0 HFAARN CCOc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700180 569222679 /nfs/dbraw/zinc/22/26/79/569222679.db2.gz MYUWXEIGYAYZTH-OAQYLSRUSA-N 0 0 404.532 2.746 50 0 HFAARN O=C(COc1ccc2ccccc2c1)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000036700461 569222828 /nfs/dbraw/zinc/22/28/28/569222828.db2.gz WRZGTOWSVYAGKM-JOCHJYFZSA-N 0 0 404.466 2.935 50 0 HFAARN O=C(NCc1ccccc1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313979 569223013 /nfs/dbraw/zinc/22/30/13/569223013.db2.gz ZBQVAJCJKYDDPK-OAQYLSRUSA-N 0 0 402.498 2.824 50 0 HFAARN O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000036700500 569223019 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O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007402479 569236717 /nfs/dbraw/zinc/23/67/17/569236717.db2.gz IVIDQLMIVUJUDO-UHFFFAOYSA-N 0 0 400.909 2.925 50 0 HFAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)n1 ZINC000007419541 569237343 /nfs/dbraw/zinc/23/73/43/569237343.db2.gz HOVSHLIABPDKFC-UHFFFAOYSA-N 0 0 402.252 2.841 50 0 HFAARN CC(C)CNC(=O)NC(=O)COC(=O)CSc1ccc(Br)cc1 ZINC000007431812 569238999 /nfs/dbraw/zinc/23/89/99/569238999.db2.gz PEYHJTZIEHWTOD-UHFFFAOYSA-N 0 0 403.298 2.566 50 0 HFAARN C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1ccncc1 ZINC000526052614 569239929 /nfs/dbraw/zinc/23/99/29/569239929.db2.gz WDYCEVYQZCRGSP-CYBMUJFWSA-N 0 0 422.316 2.669 50 0 HFAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1nnc(C)o1 ZINC000007478984 569240415 /nfs/dbraw/zinc/24/04/15/569240415.db2.gz BPXSHHMDIYBLPO-UHFFFAOYSA-N 0 0 407.382 2.540 50 0 HFAARN CCOc1ccc(OCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000007479392 569240430 /nfs/dbraw/zinc/24/04/30/569240430.db2.gz 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O=C1c2ccccc2N(CN2CCN(Cc3ccccc3Br)CC2)C1=O ZINC000020045376 558327207 /nfs/dbraw/zinc/32/72/07/558327207.db2.gz VIWGXBSHYWJSCL-UHFFFAOYSA-N 0 0 414.303 2.754 50 0 HFAARN CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccc(OC)cc1 ZINC000010672971 558342636 /nfs/dbraw/zinc/34/26/36/558342636.db2.gz RYFRHNFNMNNZKF-UHFFFAOYSA-N 0 0 424.486 2.874 50 0 HFAARN O=C(NCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000020166396 558342954 /nfs/dbraw/zinc/34/29/54/558342954.db2.gz NTMIUMKDFSLBFN-UHFFFAOYSA-N 0 0 405.454 2.693 50 0 HFAARN O=C(c1ccco1)[C@H]([C@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1 ZINC000020192816 558344779 /nfs/dbraw/zinc/34/47/79/558344779.db2.gz XHSHEEBEIJNUQL-PMACEKPBSA-N 0 0 404.894 2.890 50 0 HFAARN COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccccc2SC)=C1 ZINC000020220024 558348860 /nfs/dbraw/zinc/34/88/60/558348860.db2.gz SXBPAXYVVCZPHQ-UHFFFAOYSA-N 0 0 417.512 2.919 50 0 HFAARN COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 ZINC000020227691 558349574 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COCc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)o1 ZINC000012298264 558368550 /nfs/dbraw/zinc/36/85/50/558368550.db2.gz MDZDLMYKISTUTR-INIZCTEOSA-N 0 0 408.520 2.625 50 0 HFAARN COc1ccc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020454923 558368610 /nfs/dbraw/zinc/36/86/10/558368610.db2.gz HGGVPCWNVXRXAF-FQEVSTJZSA-N 0 0 400.519 2.781 50 0 HFAARN COc1ccc(OCC(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc1 ZINC000012300534 558370358 /nfs/dbraw/zinc/37/03/58/558370358.db2.gz HBUMZHOCZMOHDV-MRXNPFEDSA-N 0 0 400.450 2.882 50 0 HFAARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000020477113 558374422 /nfs/dbraw/zinc/37/44/22/558374422.db2.gz FWCRVFNSHBYEHZ-ZIAGYGMSSA-N 0 0 403.479 2.791 50 0 HFAARN O=C(CCC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)NCc1cccnc1 ZINC000012305753 558374751 /nfs/dbraw/zinc/37/47/51/558374751.db2.gz WLEWEJDZMAWDGU-OAQYLSRUSA-N 0 0 409.486 2.557 50 0 HFAARN CS(=O)(=O)c1ncc(CN(Cc2ccccc2)CC2CC2)n1C[C@H]1CCCO1 ZINC000012316943 558380273 /nfs/dbraw/zinc/38/02/73/558380273.db2.gz PFWRXZZCHNJFSS-HXUWFJFHSA-N 0 0 403.548 2.878 50 0 HFAARN COCCn1c(CN(C)[C@H](C)c2ccccn2)cnc1S(=O)(=O)CCC(C)C ZINC000012317437 558380812 /nfs/dbraw/zinc/38/08/12/558380812.db2.gz HHKFQRYOWLWLCD-QGZVFWFLSA-N 0 0 408.568 2.937 50 0 HFAARN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000012320373 558382304 /nfs/dbraw/zinc/38/23/04/558382304.db2.gz PMYVICPMRXERFZ-MRXNPFEDSA-N 0 0 412.559 2.857 50 0 HFAARN COCCn1c2nc(-c3ccc(OC)cc3)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000020605707 558387721 /nfs/dbraw/zinc/38/77/21/558387721.db2.gz JRTUWRMGMKLRAR-UHFFFAOYSA-N 0 0 401.444 2.563 50 0 HFAARN COC(=O)c1c2c(sc1NC(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)CCCC2 ZINC000020607851 558388553 /nfs/dbraw/zinc/38/85/53/558388553.db2.gz VIMAIHLTOOUNCF-CHWSQXEVSA-N 0 0 418.515 2.917 50 0 HFAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000012381266 558393328 /nfs/dbraw/zinc/39/33/28/558393328.db2.gz AJHGSCDCQAMERZ-KRWDZBQOSA-N 0 0 415.534 2.819 50 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/nfs/dbraw/zinc/41/83/31/558418331.db2.gz HUQJYDJFKJJXBB-UHFFFAOYSA-N 0 0 403.552 2.760 50 0 HFAARN COC(=O)CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 ZINC000012459017 558418493 /nfs/dbraw/zinc/41/84/93/558418493.db2.gz YBZQGIVTFQXMRX-MRXNPFEDSA-N 0 0 416.503 2.786 50 0 HFAARN O=C(NCCSCc1ccco1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898392 558420283 /nfs/dbraw/zinc/42/02/83/558420283.db2.gz WBKYJADBRANXAD-UHFFFAOYSA-N 0 0 422.572 2.871 50 0 HFAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020902401 558420769 /nfs/dbraw/zinc/42/07/69/558420769.db2.gz CXSBLOLVTWXHKY-UHFFFAOYSA-N 0 0 404.470 2.618 50 0 HFAARN O=C(c1nc2ccccn2c1CN1CCN(c2ccccc2O)CC1)N1CCCC1 ZINC000020907376 558421471 /nfs/dbraw/zinc/42/14/71/558421471.db2.gz BLUUIDXWJWLBCN-UHFFFAOYSA-N 0 0 405.502 2.598 50 0 HFAARN COc1cc(OC)cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1 ZINC000004348244 558428076 /nfs/dbraw/zinc/42/80/76/558428076.db2.gz YVKHOMNFQDKCRY-UHFFFAOYSA-N 0 0 417.443 2.556 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)cc1 ZINC000004350240 558428386 /nfs/dbraw/zinc/42/83/86/558428386.db2.gz LFRQJCSPVQQWGC-CZUORRHYSA-N 0 0 421.494 2.610 50 0 HFAARN NC(=O)N[C@H](CC(=O)OCC(=O)N1CCc2ccccc2C1)c1ccccc1Cl ZINC000021137018 558431943 /nfs/dbraw/zinc/43/19/43/558431943.db2.gz KGQFKNOGVMCTJW-GOSISDBHSA-N 0 0 415.877 2.568 50 0 HFAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)[C@@H]4CCOC4)CC3)c2)s1 ZINC000012581895 558432868 /nfs/dbraw/zinc/43/28/68/558432868.db2.gz ZIDWPXFIRYNOIJ-MRXNPFEDSA-N 0 0 400.504 2.727 50 0 HFAARN O=C(CCC1CCN(C(=O)CCCN2CCCC2=O)CC1)NCc1ccc(F)cc1 ZINC000012582965 558433087 /nfs/dbraw/zinc/43/30/87/558433087.db2.gz NTDYFVXLLCZFRS-UHFFFAOYSA-N 0 0 417.525 2.863 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)N1CCC(c2ccccc2)CC1 ZINC000012587831 558434546 /nfs/dbraw/zinc/43/45/46/558434546.db2.gz RZHUOHIXVQYTJI-XMMPIXPASA-N 0 0 417.553 2.751 50 0 HFAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(Cc3ccccc3F)nn2)n1 ZINC000012590937 558435746 /nfs/dbraw/zinc/43/57/46/558435746.db2.gz KNQDWJPEJPTGKY-UHFFFAOYSA-N 0 0 408.359 2.555 50 0 HFAARN CC(C)N(Cc1cnn(C)c1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012596123 558437642 /nfs/dbraw/zinc/43/76/42/558437642.db2.gz PUSLJYALRPVTQL-UHFFFAOYSA-N 0 0 421.461 2.619 50 0 HFAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 ZINC000021623920 558443475 /nfs/dbraw/zinc/44/34/75/558443475.db2.gz MJNHJWDPKHSWPY-ZDUSSCGKSA-N 0 0 410.517 2.940 50 0 HFAARN Cc1nn(-c2ccccc2)c2c1nc(CCC(=O)NCc1ccccc1)c(=O)n2C ZINC000021640855 558444339 /nfs/dbraw/zinc/44/43/39/558444339.db2.gz YFUIYYRYROLOET-UHFFFAOYSA-N 0 0 401.470 2.677 50 0 HFAARN CC(C)COC(=O)[C@@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000012660974 558444949 /nfs/dbraw/zinc/44/49/49/558444949.db2.gz FVYWGRKLKFZUCH-UGTOYMOASA-N 0 0 420.502 2.830 50 0 biogenic HFAARN COc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(C[S@@](C)=O)c2)cc(OC)c1 ZINC000010779390 558446394 /nfs/dbraw/zinc/44/63/94/558446394.db2.gz SIWOOVSWJGUKFR-OIJAAMDRSA-N 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Cc1ccc(CNC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1 ZINC000049009198 568445361 /nfs/dbraw/zinc/44/53/61/568445361.db2.gz LPSDABDUDJLXBH-UHFFFAOYSA-N 0 0 411.531 2.941 50 0 HFAARN COCCCNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000049093447 568446948 /nfs/dbraw/zinc/44/69/48/568446948.db2.gz XOHUPZDSRGQDQQ-NRFANRHFSA-N 0 0 404.532 2.866 50 0 HFAARN COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(F)cc4)cn(C)c3c2=O)c1 ZINC000049401451 568447794 /nfs/dbraw/zinc/44/77/94/568447794.db2.gz NPZKJXHLNVVGQI-UHFFFAOYSA-N 0 0 420.444 2.866 50 0 HFAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCS2)c1 ZINC000049403715 568448308 /nfs/dbraw/zinc/44/83/08/568448308.db2.gz WSAXUTXEISNXGG-UHFFFAOYSA-N 0 0 411.483 2.840 50 0 HFAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)nn2)c1 ZINC000049406400 568448904 /nfs/dbraw/zinc/44/89/04/568448904.db2.gz LMJFQYPZVWXJQH-UHFFFAOYSA-N 0 0 423.542 2.909 50 0 HFAARN COc1cccc(-c2noc(Cn3ccn(-c4ccc(Cl)cc4)c(=O)c3=O)n2)c1 ZINC000049407695 568449162 /nfs/dbraw/zinc/44/91/62/568449162.db2.gz MYTKFDAFMAGZLX-UHFFFAOYSA-N 0 0 410.817 2.760 50 0 HFAARN CC(=O)Nc1nsc(N2CCC(C(=O)NCc3ccc(F)cc3Cl)CC2)n1 ZINC000049409960 568449817 /nfs/dbraw/zinc/44/98/17/568449817.db2.gz QDRCTEYIHSGTTO-UHFFFAOYSA-N 0 0 411.890 2.822 50 0 HFAARN CC1CCN(c2cc(-n3cnc(C(=O)Nc4ccc5c(c4)OCO5)c3)ncn2)CC1 ZINC000049411234 568450077 /nfs/dbraw/zinc/45/00/77/568450077.db2.gz KTWOBEHTQZOGPM-UHFFFAOYSA-N 0 0 406.446 2.880 50 0 HFAARN Cc1ccc(N2CN(CC(=O)N3CCCC[C@@H]3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049411427 568450174 /nfs/dbraw/zinc/45/01/74/568450174.db2.gz DHMUGVOREKAQCQ-KRWDZBQOSA-N 0 0 414.531 2.891 50 0 HFAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)NC1CCCCC1 ZINC000049411498 568450197 /nfs/dbraw/zinc/45/01/97/568450197.db2.gz CDONRANKWRXFBA-UHFFFAOYSA-N 0 0 418.494 2.770 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3c(C)nn(CC(C)C)c3C)c2c1 ZINC000049543662 568451124 /nfs/dbraw/zinc/45/11/24/568451124.db2.gz XLPLLULHDAJOLT-UHFFFAOYSA-N 0 0 411.506 2.943 50 0 biogenic HFAARN COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000049545341 568451373 /nfs/dbraw/zinc/45/13/73/568451373.db2.gz AJHALYCTPQKQDY-INIZCTEOSA-N 0 0 416.478 2.827 50 0 HFAARN COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000049549654 568451848 /nfs/dbraw/zinc/45/18/48/568451848.db2.gz UYVGFQDAJKDGJC-KRWDZBQOSA-N 0 0 416.478 2.827 50 0 HFAARN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000049551613 568452053 /nfs/dbraw/zinc/45/20/53/568452053.db2.gz GJSJEZZGBJRXKA-SECBINFHSA-N 0 0 424.379 2.714 50 0 HFAARN COc1ccc(OC)c(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000049597344 568452373 /nfs/dbraw/zinc/45/23/73/568452373.db2.gz PPIFISOLYJAGJE-UHFFFAOYSA-N 0 0 416.499 2.683 50 0 HFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000024669224 568456438 /nfs/dbraw/zinc/45/64/38/568456438.db2.gz JMUZJLATVNRGOO-CQSZACIVSA-N 0 0 403.504 2.550 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000020763519 568458777 /nfs/dbraw/zinc/45/87/77/568458777.db2.gz HUGIRZIBRUGHOD-FMEYXAORSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000000656046 568459601 /nfs/dbraw/zinc/45/96/01/568459601.db2.gz JJFHGXVGGCYXJW-UHFFFAOYSA-N 0 0 423.332 2.800 50 0 HFAARN O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000000657892 568459704 /nfs/dbraw/zinc/45/97/04/568459704.db2.gz YFYAMWVXLARDKX-FOWTUZBSSA-N 0 0 405.248 2.672 50 0 HFAARN CCOc1c(I)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC ZINC000000665697 568460123 /nfs/dbraw/zinc/46/01/23/568460123.db2.gz VPMXNMDOZFQENU-YRNVUSSQSA-N 0 0 416.215 2.611 50 0 HFAARN COc1ccc(NC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000000665811 568460173 /nfs/dbraw/zinc/46/01/73/568460173.db2.gz JYIKRDNGJMHIHE-UHFFFAOYSA-N 0 0 419.286 2.928 50 0 HFAARN CCc1cccc2c(/C=C3/NC(=S)N(C)C3=O)cn(CC(=O)N3CCCCC3)c21 ZINC000000664627 568460368 /nfs/dbraw/zinc/46/03/68/568460368.db2.gz MIZLBNLCFSSUSF-LDADJPATSA-N 0 0 410.543 2.904 50 0 HFAARN CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000666076 568460609 /nfs/dbraw/zinc/46/06/09/568460609.db2.gz TURYFHXONZMCMK-UHFFFAOYSA-N 0 0 404.488 2.716 50 0 HFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Cl)cc1F ZINC000006893324 568463282 /nfs/dbraw/zinc/46/32/82/568463282.db2.gz KHNNFSQZVOQWPO-UHFFFAOYSA-N 0 0 412.826 2.613 50 0 HFAARN O=C(Nc1nncs1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000021213359 568463393 /nfs/dbraw/zinc/46/33/93/568463393.db2.gz SNIRANMFECOEAK-UHFFFAOYSA-N 0 0 420.438 2.596 50 0 HFAARN CCCn1c(-c2ccc(Br)cc2)cn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000000718206 568465909 /nfs/dbraw/zinc/46/59/09/568465909.db2.gz HNBYWEZHUUXWCC-UHFFFAOYSA-N 0 0 416.279 2.526 50 0 HFAARN C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N1CCNC1=O ZINC000007189707 568473993 /nfs/dbraw/zinc/47/39/93/568473993.db2.gz NORAHFCQLPOXHX-CYBMUJFWSA-N 0 0 413.528 2.952 50 0 HFAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000007491905 568481319 /nfs/dbraw/zinc/48/13/19/568481319.db2.gz YFEUKTDDGIBGEA-INIZCTEOSA-N 0 0 413.474 2.729 50 0 HFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)NCCc2ccccc2)c3=O)cc1C ZINC000000807133 568487922 /nfs/dbraw/zinc/48/79/22/568487922.db2.gz NKNFVWRZNIEKOX-UHFFFAOYSA-N 0 0 401.470 2.558 50 0 HFAARN CS(=O)(=O)c1nccn1-c1cccc(C(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000390827030 568490685 /nfs/dbraw/zinc/49/06/85/568490685.db2.gz DPNIHDORKJUULO-UHFFFAOYSA-N 0 0 407.854 2.998 50 0 HFAARN O=c1cc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc2sccn21 ZINC000008194695 568492735 /nfs/dbraw/zinc/49/27/35/568492735.db2.gz YGSUFJPWHJSNAS-UHFFFAOYSA-N 0 0 418.544 2.933 50 0 HFAARN Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000000812682 568493729 /nfs/dbraw/zinc/49/37/29/568493729.db2.gz GYXIMVDCKUJJHL-UHFFFAOYSA-N 0 0 403.891 2.946 50 0 HFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000008229592 568494421 /nfs/dbraw/zinc/49/44/21/568494421.db2.gz KJFZKMULTJXMBW-KRWDZBQOSA-N 0 0 415.906 2.724 50 0 HFAARN O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000022772284 568499437 /nfs/dbraw/zinc/49/94/37/568499437.db2.gz DDMZMKUYFNQRSQ-UHFFFAOYSA-N 0 0 408.546 2.922 50 0 HFAARN COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)ccc1OCC(N)=O ZINC000115757207 568500205 /nfs/dbraw/zinc/50/02/05/568500205.db2.gz LZFNDGJCEJITHC-SFHVURJKSA-N 0 0 422.485 2.813 50 0 HFAARN Cc1c(N(Cc2cccc(C)c2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000008558162 568501672 /nfs/dbraw/zinc/50/16/72/568501672.db2.gz MDXPNUONNPIAAU-UHFFFAOYSA-N 0 0 414.531 2.606 50 0 HFAARN CCN(CC)C(=O)c1ccc2oc(CN3CCN(C(=O)NC(C)(C)C)CC3)nc2c1 ZINC000033127485 568511208 /nfs/dbraw/zinc/51/12/08/568511208.db2.gz BHKFTNJAFNFELL-UHFFFAOYSA-N 0 0 415.538 2.936 50 0 HFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)Nc3ccccc3C)c2)no1 ZINC000033276152 568512472 /nfs/dbraw/zinc/51/24/72/568512472.db2.gz NGGAHJWTRDBGGP-UHFFFAOYSA-N 0 0 400.460 2.579 50 0 HFAARN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4n(CC)c3=O)C2)cc1 ZINC000033259481 568512773 /nfs/dbraw/zinc/51/27/73/568512773.db2.gz ICIQIKVWZJUZMM-IBGZPJMESA-N 0 0 419.529 2.907 50 0 HFAARN C[C@H](NC(=O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1)c1cccs1 ZINC000222106915 568514170 /nfs/dbraw/zinc/51/41/70/568514170.db2.gz UIXUMROHZKUNHC-MEDUHNTESA-N 0 0 410.337 2.846 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(O)cc1 ZINC000012378026 568552443 /nfs/dbraw/zinc/55/24/43/568552443.db2.gz LCMQLNGQZDQLMD-ZPBCLNFZSA-N 0 0 420.490 2.504 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000020069042 568587236 /nfs/dbraw/zinc/58/72/36/568587236.db2.gz HVZRHRMCTUMTPB-OTWHNJEPSA-N 0 0 421.526 2.999 50 0 HFAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1cc(-c2nc(-c3cccs3)no2)nn1 ZINC000390827443 568591427 /nfs/dbraw/zinc/59/14/27/568591427.db2.gz HCLUSSYOAOQSNL-CYBMUJFWSA-N 0 0 410.459 2.640 50 0 HFAARN Cc1nc(-n2cccc2)sc1C(=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000390829978 568591993 /nfs/dbraw/zinc/59/19/93/568591993.db2.gz HWZNEDOMPCKPOQ-LLVKDONJSA-N 0 0 410.425 2.888 50 0 HFAARN CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288092 568597518 /nfs/dbraw/zinc/59/75/18/568597518.db2.gz XVUWCRFDRLHWEL-QRWLVFNGSA-N 0 0 401.532 2.974 50 0 HFAARN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000095348703 568600224 /nfs/dbraw/zinc/60/02/24/568600224.db2.gz KTEMYUOXXTVDIY-UHFFFAOYSA-N 0 0 423.538 2.639 50 0 HFAARN O=C(CN1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCc2sccc2C1 ZINC000095349882 568600740 /nfs/dbraw/zinc/60/07/40/568600740.db2.gz CWALOLYCNRDEON-UHFFFAOYSA-N 0 0 423.542 2.501 50 0 HFAARN O=C(CNCc1ccccn1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000095351425 568600963 /nfs/dbraw/zinc/60/09/63/568600963.db2.gz YMUKAXXTYXKYOK-UHFFFAOYSA-N 0 0 422.938 2.638 50 0 HFAARN COC(=O)[C@@H](CC(C)C)NC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000080328361 568601842 /nfs/dbraw/zinc/60/18/42/568601842.db2.gz BNHWSENKQVPMCJ-OAQYLSRUSA-N 0 0 421.497 2.691 50 0 HFAARN C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc(Br)c[nH]3)cc2)C[C@H](C)O1 ZINC000095376522 568603079 /nfs/dbraw/zinc/60/30/79/568603079.db2.gz JNCKIIKUPPDTFV-STQMWFEESA-N 0 0 420.307 2.957 50 0 HFAARN COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C)cc3)CC2)cc1OC ZINC000095398545 568604620 /nfs/dbraw/zinc/60/46/20/568604620.db2.gz RKBSBPWIZSTDSF-UHFFFAOYSA-N 0 0 412.486 2.812 50 0 HFAARN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(Cc1ccco1)c1ccccn1 ZINC000095400382 568605048 /nfs/dbraw/zinc/60/50/48/568605048.db2.gz QETYCMGNYRWNQS-UHFFFAOYSA-N 0 0 406.485 2.782 50 0 HFAARN COc1ccccc1N1CCN(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000095423652 568607601 /nfs/dbraw/zinc/60/76/01/568607601.db2.gz NKVOQIWHJCGFHE-UHFFFAOYSA-N 0 0 417.893 2.977 50 0 HFAARN CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1C[C@@H](C)O ZINC000095433262 568609446 /nfs/dbraw/zinc/60/94/46/568609446.db2.gz ZVWCMNSPFVIXRN-NEPJUHHUSA-N 0 0 414.877 2.825 50 0 HFAARN CC(C)N(CCc1nccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000095436453 568609771 /nfs/dbraw/zinc/60/97/71/568609771.db2.gz SRUOACJGRATNCG-FQEVSTJZSA-N 0 0 418.494 2.529 50 0 HFAARN COC(=O)[C@@]1(NCC(=O)N[C@H](C)c2cccs2)CCCN(Cc2ccccc2)C1 ZINC000095454697 568616253 /nfs/dbraw/zinc/61/62/53/568616253.db2.gz HDBZUMKBZHPWLL-VGOFRKELSA-N 0 0 415.559 2.723 50 0 HFAARN CCC[C@@H](CC(=O)OC)NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000095459292 568619576 /nfs/dbraw/zinc/61/95/76/568619576.db2.gz CCAZDZGZVGVDKP-INIZCTEOSA-N 0 0 412.552 2.501 50 0 HFAARN O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000095464763 568622731 /nfs/dbraw/zinc/62/27/31/568622731.db2.gz SSVLQTRKVTVFFY-IBGZPJMESA-N 0 0 424.526 2.794 50 0 HFAARN CC(C)Cn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O ZINC000095473571 568628800 /nfs/dbraw/zinc/62/88/00/568628800.db2.gz YGKNYIMMGLQCEX-OAHLLOKOSA-N 0 0 408.458 2.633 50 0 HFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCN(CCc3ccncc3)CC2)cc1 ZINC000095474215 568629152 /nfs/dbraw/zinc/62/91/52/568629152.db2.gz HFYJDNBPMMNHCA-UHFFFAOYSA-N 0 0 419.529 2.718 50 0 HFAARN COc1ccc(CCNC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)cc1OC ZINC000095475262 568629882 /nfs/dbraw/zinc/62/98/82/568629882.db2.gz DENWTBWFCWWVGB-UHFFFAOYSA-N 0 0 423.513 2.971 50 0 HFAARN CCc1nc2cc(OC)c(OC)cc2c(=O)n1CCNC(=O)c1c[nH]c2ccccc21 ZINC000095476826 568630742 /nfs/dbraw/zinc/63/07/42/568630742.db2.gz NQDTUWVDLKMJCG-UHFFFAOYSA-N 0 0 420.469 2.887 50 0 HFAARN Cc1cc(=O)oc2cc(OCC(=O)NCCc3nnc4ccccn43)c(Cl)cc12 ZINC000095477290 568630952 /nfs/dbraw/zinc/63/09/52/568630952.db2.gz NTLWADSJMJJJJA-UHFFFAOYSA-N 0 0 412.833 2.535 50 0 HFAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21 ZINC000095479791 568632756 /nfs/dbraw/zinc/63/27/56/568632756.db2.gz WNHQVRZVBFPJGP-IBGZPJMESA-N 0 0 404.470 2.515 50 0 HFAARN O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCCc1ccccn1 ZINC000095480288 568633000 /nfs/dbraw/zinc/63/30/00/568633000.db2.gz LFFNLTBOFGYGBM-UHFFFAOYSA-N 0 0 400.910 2.523 50 0 HFAARN COc1ccccc1N1CN(CCO)Cn2c(=O)c(Cc3ccccc3)c(C)nc21 ZINC000095481383 568633775 /nfs/dbraw/zinc/63/37/75/568633775.db2.gz NLTDDSOZKGFRBZ-UHFFFAOYSA-N 0 0 406.486 2.512 50 0 HFAARN CC[C@@H]1CN(C(=O)c2cc3c([nH]2)c(OC)c(OC)cc3OC)C[C@@]2(CCOC2)O1 ZINC000225440803 568638073 /nfs/dbraw/zinc/63/80/73/568638073.db2.gz SJFPNEHLGFPUCH-LRTDBIEQSA-N 0 0 404.463 2.604 50 0 HFAARN C[NH+](C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000020645304 568639009 /nfs/dbraw/zinc/63/90/09/568639009.db2.gz RDWJSVJWJKTZCK-UHFFFAOYSA-N 0 0 400.548 2.867 50 0 HFAARN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCc1nc(-c2ccncc2)no1 ZINC000225461379 568640159 /nfs/dbraw/zinc/64/01/59/568640159.db2.gz VWJNYOUKCIMRKN-HOCLYGCPSA-N 0 0 415.494 2.826 50 0 HFAARN COc1cc(I)c(Cl)cc1CNC(=O)c1cnsn1 ZINC000225468003 568640647 /nfs/dbraw/zinc/64/06/47/568640647.db2.gz QFWLLNKALUFVKC-UHFFFAOYSA-N 0 0 409.636 2.735 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000020723900 568640700 /nfs/dbraw/zinc/64/07/00/568640700.db2.gz LJWIGFTUPIHQJP-JLBUNGTFSA-N 0 0 418.469 2.802 50 0 HFAARN COc1cc(I)c(Cl)cc1CNC(=O)c1ccnn1C ZINC000225468055 568640766 /nfs/dbraw/zinc/64/07/66/568640766.db2.gz AMRYEJMLAFSHSO-UHFFFAOYSA-N 0 0 405.623 2.617 50 0 HFAARN Cc1oc2c(cc3c(C)c(CC(=O)NCCN4CCOCC4)c(=O)oc3c2C)c1C ZINC000020755886 568641470 /nfs/dbraw/zinc/64/14/70/568641470.db2.gz PWNKTRPZZIHBOR-UHFFFAOYSA-N 0 0 412.486 2.764 50 0 biogenic HFAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000225500202 568643694 /nfs/dbraw/zinc/64/36/94/568643694.db2.gz CULLLXMOUXPCQL-QGZVFWFLSA-N 0 0 407.522 2.933 50 0 HFAARN COC(=O)C1=C(CS(=O)(=O)c2cc(C)ccc2C)NC(=O)N[C@H]1c1ccccc1 ZINC000020848911 568644719 /nfs/dbraw/zinc/64/47/19/568644719.db2.gz TWYQPDOJNFUEFX-IBGZPJMESA-N 0 0 414.483 2.558 50 0 HFAARN COc1cccc(CN2C(=O)N(c3cc(C)ccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020848638 568644728 /nfs/dbraw/zinc/64/47/28/568644728.db2.gz UMKQEHSQZGCIGA-VQTJNVASSA-N 0 0 400.500 2.920 50 0 HFAARN COC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000020858166 568645828 /nfs/dbraw/zinc/64/58/28/568645828.db2.gz ASLJCBDYYGBMCF-QGZVFWFLSA-N 0 0 420.874 2.595 50 0 HFAARN O=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@@H]2S1)c1ccccc1)Nc1ccc(F)cc1 ZINC000020867397 568646910 /nfs/dbraw/zinc/64/69/10/568646910.db2.gz BOLVNPFOAPKOLS-IRXDYDNUSA-N 0 0 419.503 2.539 50 0 HFAARN COc1ccc(-n2cc(C(=O)NCCOc3cccc4c3OC(C)(C)C4)nn2)cc1 ZINC000020890880 568647780 /nfs/dbraw/zinc/64/77/80/568647780.db2.gz PGRQMTSASXGGRK-UHFFFAOYSA-N 0 0 408.458 2.798 50 0 HFAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000020995356 568656657 /nfs/dbraw/zinc/65/66/57/568656657.db2.gz LXDUBDHVLWNIDL-MYSGNRETSA-N 0 0 421.544 2.894 50 0 HFAARN CCOc1ccccc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O ZINC000020996737 568657086 /nfs/dbraw/zinc/65/70/86/568657086.db2.gz JYWSXESKMDMORT-UHFFFAOYSA-N 0 0 421.494 2.616 50 0 HFAARN Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028628 568658769 /nfs/dbraw/zinc/65/87/69/568658769.db2.gz WDBZCPKWMFXDFM-UHFFFAOYSA-N 0 0 424.954 2.644 50 0 HFAARN COC(=O)c1cn([C@H]2CCCN(C(=O)CCCOc3ccc(C)c(C)c3)C2)nn1 ZINC000095941060 568662148 /nfs/dbraw/zinc/66/21/48/568662148.db2.gz NOVJCODFRRRXSJ-KRWDZBQOSA-N 0 0 400.479 2.704 50 0 HFAARN Nc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 ZINC000095944668 568663079 /nfs/dbraw/zinc/66/30/79/568663079.db2.gz XUORHSUNGNFCGR-UHFFFAOYSA-N 0 0 411.886 2.598 50 0 HFAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)NC1CCCCC1 ZINC000021090054 568664081 /nfs/dbraw/zinc/66/40/81/568664081.db2.gz ZTIKXLJIGRZLPT-IBGZPJMESA-N 0 0 419.547 2.670 50 0 HFAARN COc1cc(Br)c(S(=O)(=O)NCc2cccc(N)c2)cc1OC ZINC000095949505 568665944 /nfs/dbraw/zinc/66/59/44/568665944.db2.gz GYIZMVGPNDVDQA-UHFFFAOYSA-N 0 0 401.282 2.527 50 0 HFAARN Cc1ccc(CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C2CC2)o1 ZINC000095954273 568668433 /nfs/dbraw/zinc/66/84/33/568668433.db2.gz YRMWPJMFNYTFLE-UHFFFAOYSA-N 0 0 413.293 2.803 50 0 HFAARN O=C(NCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)c1ccc(Br)o1 ZINC000095967023 568670711 /nfs/dbraw/zinc/67/07/11/568670711.db2.gz JBKIMRVYYVVUGF-HUUCEWRRSA-N 0 0 421.291 2.887 50 0 HFAARN CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CCCc1nc(C)no1 ZINC000095966834 568670715 /nfs/dbraw/zinc/67/07/15/568670715.db2.gz SGXLPAWYINZTTP-UHFFFAOYSA-N 0 0 402.423 2.768 50 0 HFAARN COc1ccccc1N1CCN(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000095969089 568670797 /nfs/dbraw/zinc/67/07/97/568670797.db2.gz OZCSXJKTINBTMQ-UHFFFAOYSA-N 0 0 413.503 2.593 50 0 HFAARN Cc1c(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)nnn1-c1ccccc1Cl ZINC000095971376 568671625 /nfs/dbraw/zinc/67/16/25/568671625.db2.gz FJWLDHQWCWKWID-UHFFFAOYSA-N 0 0 411.897 2.598 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)N[C@@H]3CCCc4ccccc43)sc2n1 ZINC000021165403 568674588 /nfs/dbraw/zinc/67/45/88/568674588.db2.gz KZOGIBCCMJGTCU-QGZVFWFLSA-N 0 0 411.531 2.734 50 0 HFAARN COc1ccc(CC(=O)Nc2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)cc1 ZINC000021171382 568676357 /nfs/dbraw/zinc/67/63/57/568676357.db2.gz BDOBSFVBSVAFBP-UHFFFAOYSA-N 0 0 403.442 2.919 50 0 HFAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1 ZINC000021171560 568676557 /nfs/dbraw/zinc/67/65/57/568676557.db2.gz UMWHCTQRVSAQPH-SFHVURJKSA-N 0 0 420.513 2.898 50 0 HFAARN CCn1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c(=O)c2cc(Cl)ccc21 ZINC000095993600 568678128 /nfs/dbraw/zinc/67/81/28/568678128.db2.gz ZVUTWJYTTAVDLE-IBGZPJMESA-N 0 0 405.926 2.761 50 0 HFAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)nc1)c1cccc(F)c1 ZINC000225832812 568679169 /nfs/dbraw/zinc/67/91/69/568679169.db2.gz QHXCJVMKMBIUGZ-AWEZNQCLSA-N 0 0 402.289 2.564 50 0 HFAARN Cc1cc(C)cc(CCC(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 ZINC000095998646 568679872 /nfs/dbraw/zinc/67/98/72/568679872.db2.gz BVQIMJNLRNRQJQ-QGZVFWFLSA-N 0 0 404.536 2.737 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350958 568687732 /nfs/dbraw/zinc/68/77/32/568687732.db2.gz YYKXLBIMOWSWBG-OAQYLSRUSA-N 0 0 423.517 2.892 50 0 HFAARN COc1ccc(C)cc1NC(=O)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1ccccc1)C2 ZINC000096095717 568688598 /nfs/dbraw/zinc/68/85/98/568688598.db2.gz OKAXZHFYZGQOLE-HHXXYDBFSA-N 0 0 415.515 2.977 50 0 HFAARN COC(=O)N1CCc2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc2C1 ZINC000096096310 568688968 /nfs/dbraw/zinc/68/89/68/568688968.db2.gz NOVZZMRXGFXCMI-UHFFFAOYSA-N 0 0 404.488 2.804 50 0 HFAARN O=S(=O)(NCCn1ccc(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000096098929 568690168 /nfs/dbraw/zinc/69/01/68/568690168.db2.gz CTRRIMRYPHOSBG-UHFFFAOYSA-N 0 0 412.393 2.822 50 0 HFAARN CC(=O)Nc1ccc(CC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096099456 568690384 /nfs/dbraw/zinc/69/03/84/568690384.db2.gz RXZDIVKDUBDZDZ-UHFFFAOYSA-N 0 0 418.490 2.792 50 0 HFAARN O=S(=O)(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc2c(c1)CCO2 ZINC000096103786 568692108 /nfs/dbraw/zinc/69/21/08/568692108.db2.gz XORFNIVRCHIMMD-UHFFFAOYSA-N 0 0 401.410 2.693 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000096104448 568692389 /nfs/dbraw/zinc/69/23/89/568692389.db2.gz HHCUSTQVRTUODX-UHFFFAOYSA-N 0 0 415.920 2.586 50 0 HFAARN COC1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C)c3)cc2)CC1 ZINC000096104473 568692432 /nfs/dbraw/zinc/69/24/32/568692432.db2.gz IRJQMBRBOFARBV-UHFFFAOYSA-N 0 0 417.531 2.527 50 0 HFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000096105338 568692597 /nfs/dbraw/zinc/69/25/97/568692597.db2.gz MDAPJFNNAHFEBM-UHFFFAOYSA-N 0 0 409.461 2.790 50 0 HFAARN COc1ccc2c(C)c(CC(=O)Nc3ccc4nc[nH]c(=O)c4c3)c(=O)oc2c1OC ZINC000096114021 568693734 /nfs/dbraw/zinc/69/37/34/568693734.db2.gz ZONNHXGVZSIJDY-UHFFFAOYSA-N 0 0 421.409 2.536 50 0 biogenic HFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1 ZINC000096115669 568695261 /nfs/dbraw/zinc/69/52/61/568695261.db2.gz LLHKXVPANDVIIV-IBGZPJMESA-N 0 0 420.469 2.679 50 0 biogenic HFAARN CC(C)Cc1nc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 ZINC000096115648 568695283 /nfs/dbraw/zinc/69/52/83/568695283.db2.gz WJUKFFCYQVRBLI-SFHVURJKSA-N 0 0 405.458 2.841 50 0 biogenic HFAARN CC(C)C[C@H](NC(=O)Cn1cc(-c2ccccc2)ncc1=O)c1nnc2ccccn21 ZINC000096116773 568696029 /nfs/dbraw/zinc/69/60/29/568696029.db2.gz FFZOXGYAHVWFEW-SFHVURJKSA-N 0 0 416.485 2.857 50 0 HFAARN CCc1ccc(NC(=O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000096121152 568699623 /nfs/dbraw/zinc/69/96/23/568699623.db2.gz RPWUYVMBAGVDGR-ATVHPVEESA-N 0 0 413.543 2.806 50 0 HFAARN Cc1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1 ZINC000096121153 568699639 /nfs/dbraw/zinc/69/96/39/568699639.db2.gz AOTGXZXKRJOXFW-GDNBJRDFSA-N 0 0 413.543 2.860 50 0 HFAARN CCOC(=O)C1=C(CSc2nncn2C(C)C)NC(=O)N[C@H]1c1cccs1 ZINC000012400367 568700150 /nfs/dbraw/zinc/70/01/50/568700150.db2.gz NWUQMRAFKQQVSJ-AWEZNQCLSA-N 0 0 407.521 2.884 50 0 HFAARN COc1ccc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1Cl ZINC000096124181 568700740 /nfs/dbraw/zinc/70/07/40/568700740.db2.gz GICIDICBSMLXPA-UHFFFAOYSA-N 0 0 413.869 2.574 50 0 HFAARN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000021466852 568702404 /nfs/dbraw/zinc/70/24/04/568702404.db2.gz UFVJDBCFLWGPGT-UHFFFAOYSA-N 0 0 422.437 2.937 50 0 HFAARN Cc1ccc(-c2cc(C(=O)N(CCC(=O)N3CCN(C)CC3)CC(C)C)no2)cc1 ZINC000096210392 568704408 /nfs/dbraw/zinc/70/44/08/568704408.db2.gz YLUKBOVISRAILJ-UHFFFAOYSA-N 0 0 412.534 2.912 50 0 HFAARN COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O ZINC000012401896 568704897 /nfs/dbraw/zinc/70/48/97/568704897.db2.gz HIOZOUCJQDOSFH-HXPMCKFVSA-N 0 0 421.375 2.997 50 0 HFAARN COc1ccccc1OCCN1C[C@@H](C(=O)Nc2ccc3[nH]c(C)nc3c2)CC1=O ZINC000096223095 568706047 /nfs/dbraw/zinc/70/60/47/568706047.db2.gz RTKIYSZSRKYSGO-HNNXBMFYSA-N 0 0 408.458 2.746 50 0 HFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1C ZINC000021511549 568706565 /nfs/dbraw/zinc/70/65/65/568706565.db2.gz KFMLEHFGJJAPLQ-CQSZACIVSA-N 0 0 420.506 2.817 50 0 HFAARN CC(C)n1c(CNC(=O)CCCN2C(=O)c3cccnc3C2=O)nc2ccccc21 ZINC000096230799 568706742 /nfs/dbraw/zinc/70/67/42/568706742.db2.gz DTYYINLVWJVQPK-UHFFFAOYSA-N 0 0 405.458 2.705 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1 ZINC000096230668 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568878291 /nfs/dbraw/zinc/87/82/91/568878291.db2.gz YIWFFVJWZQRFQW-OAHLLOKOSA-N 0 0 408.458 2.849 50 0 HFAARN CCC(CC)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000003316985 568879625 /nfs/dbraw/zinc/87/96/25/568879625.db2.gz CGKZEMRBEORICF-UHFFFAOYSA-N 0 0 418.515 2.627 50 0 HFAARN CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004036170 568879671 /nfs/dbraw/zinc/87/96/71/568879671.db2.gz BWZGVDJUWFIIES-LJQANCHMSA-N 0 0 421.544 2.867 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3sccc3c(=O)n2C)cc1 ZINC000003318127 568879748 /nfs/dbraw/zinc/87/97/48/568879748.db2.gz YEGHMEROPYUROC-UHFFFAOYSA-N 0 0 403.485 2.903 50 0 HFAARN COc1cccc(Cn2c(Oc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000004038683 568879896 /nfs/dbraw/zinc/87/98/96/568879896.db2.gz DYQSFYAQWXQUSB-UHFFFAOYSA-N 0 0 406.442 2.591 50 0 HFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cccc(C)c1 ZINC000004046869 568880349 /nfs/dbraw/zinc/88/03/49/568880349.db2.gz DIOHAUFQAVWEOX-YCRPNKLZSA-N 0 0 410.426 2.811 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568886924 /nfs/dbraw/zinc/88/69/24/568886924.db2.gz FDNPFVSLQVTURU-UHFFFAOYSA-N 0 0 420.292 2.552 50 0 HFAARN Cc1cc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 ZINC000003366744 568889355 /nfs/dbraw/zinc/88/93/55/568889355.db2.gz IJCPMHCTMDMXGQ-UHFFFAOYSA-N 0 0 421.409 2.820 50 0 HFAARN CN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 ZINC000003373176 568890959 /nfs/dbraw/zinc/89/09/59/568890959.db2.gz FFJNUUJIQSOVLJ-UHFFFAOYSA-N 0 0 418.405 2.896 50 0 HFAARN COc1ccc(-c2nc(CC(C)=O)nc(SCC(=O)NC(C)(C)C)n2)cc1OC ZINC000003373880 568891093 /nfs/dbraw/zinc/89/10/93/568891093.db2.gz WHWMDFANKFEJLM-UHFFFAOYSA-N 0 0 418.519 2.694 50 0 HFAARN O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003374874 568891097 /nfs/dbraw/zinc/89/10/97/568891097.db2.gz ZKATZLUMSLTCGN-UHFFFAOYSA-N 0 0 404.435 2.914 50 0 HFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000003379205 568892102 /nfs/dbraw/zinc/89/21/02/568892102.db2.gz HKCZSIONGFREAP-GFCCVEGCSA-N 0 0 410.879 2.774 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/nfs/dbraw/zinc/90/06/38/568900638.db2.gz SVYDWTONNQKOOY-UHFFFAOYSA-N 0 0 420.487 2.867 50 0 HFAARN COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)coc2c1 ZINC000003431950 568902102 /nfs/dbraw/zinc/90/21/02/568902102.db2.gz SPKIWALLHCQPRP-UHFFFAOYSA-N 0 0 420.512 2.579 50 0 HFAARN CSc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc4c(c3)OCO4)CC2=O)c1 ZINC000003434080 568902285 /nfs/dbraw/zinc/90/22/85/568902285.db2.gz NURRNCUJVHTZJQ-CQSZACIVSA-N 0 0 413.451 2.916 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1 ZINC000003440788 568903653 /nfs/dbraw/zinc/90/36/53/568903653.db2.gz XORSJDAGESXRSD-UHFFFAOYSA-N 0 0 409.464 2.948 50 0 HFAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003448579 568905070 /nfs/dbraw/zinc/90/50/70/568905070.db2.gz FNEMRDDCUFWTKB-UHFFFAOYSA-N 0 0 403.293 2.910 50 0 HFAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000003462529 568906990 /nfs/dbraw/zinc/90/69/90/568906990.db2.gz HEUSPNOHGGPWEC-HXUWFJFHSA-N 0 0 415.833 2.517 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1cc(C)oc1C ZINC000003464317 568907155 /nfs/dbraw/zinc/90/71/55/568907155.db2.gz RDMAJNMKTKOKGG-UHFFFAOYSA-N 0 0 422.459 2.598 50 0 HFAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCc1cn2ccccc2n1 ZINC000012670028 568907223 /nfs/dbraw/zinc/90/72/23/568907223.db2.gz ZJGWXDMYTAGSOR-UHFFFAOYSA-N 0 0 405.483 2.945 50 0 HFAARN COc1ccc(CN(C)C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(OC)c1OC ZINC000012681639 568907926 /nfs/dbraw/zinc/90/79/26/568907926.db2.gz WKWZHMJPNBAIRM-UHFFFAOYSA-N 0 0 414.380 2.552 50 0 HFAARN COc1cc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc(OC)c1OC ZINC000003479805 568908245 /nfs/dbraw/zinc/90/82/45/568908245.db2.gz NBWPKDHLYGNTBK-UHFFFAOYSA-N 0 0 404.419 2.655 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)c1C ZINC000003483801 568908679 /nfs/dbraw/zinc/90/86/79/568908679.db2.gz IEJMJRRHOXQSLT-UHFFFAOYSA-N 0 0 404.419 2.621 50 0 HFAARN COc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc(OC)c1OC ZINC000004107122 568909465 /nfs/dbraw/zinc/90/94/65/568909465.db2.gz BFQHPUGSRGJDFD-UHFFFAOYSA-N 0 0 413.386 2.786 50 0 HFAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000670445009 568910435 /nfs/dbraw/zinc/91/04/35/568910435.db2.gz ORCBCVCOHYFHNF-MRXNPFEDSA-N 0 0 408.495 2.786 50 0 HFAARN COc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1OC ZINC000263616688 568911079 /nfs/dbraw/zinc/91/10/79/568911079.db2.gz KAWYDDKYIJHTIY-LJQANCHMSA-N 0 0 412.421 2.636 50 0 HFAARN COc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003530322 568912794 /nfs/dbraw/zinc/91/27/94/568912794.db2.gz PNLOQGNGSIWESB-UHFFFAOYSA-N 0 0 411.863 2.694 50 0 HFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cccc(OC)c4OC)c3CO2)cc1 ZINC000263618459 568911781 /nfs/dbraw/zinc/91/17/81/568911781.db2.gz TWYTUIUCXJSMTA-IBGZPJMESA-N 0 0 424.457 2.505 50 0 HFAARN COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c(OC)c1 ZINC000263618483 568911809 /nfs/dbraw/zinc/91/18/09/568911809.db2.gz UALSTGGDAMDUOX-IBGZPJMESA-N 0 0 412.421 2.636 50 0 HFAARN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003520990 568912137 /nfs/dbraw/zinc/91/21/37/568912137.db2.gz NBUNSGJVORSVNY-SECBINFHSA-N 0 0 417.270 2.825 50 0 HFAARN O=C(c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)N1CCN(c2ccc(F)cc2)CC1 ZINC000263619356 568912311 /nfs/dbraw/zinc/91/23/11/568912311.db2.gz YIPDAOCTJHCIAE-UHFFFAOYSA-N 0 0 418.432 2.598 50 0 HFAARN CN(C(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)C1CCCCC1 ZINC000263619539 568912616 /nfs/dbraw/zinc/91/26/16/568912616.db2.gz ZDQCFFYOIJMCAI-UHFFFAOYSA-N 0 0 412.465 2.586 50 0 HFAARN O=C(c1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 ZINC000263619623 568912631 /nfs/dbraw/zinc/91/26/31/568912631.db2.gz ZQMJQDBANLVEGK-QFIPXVFZSA-N 0 0 421.476 2.647 50 0 HFAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000003526234 568912678 /nfs/dbraw/zinc/91/26/78/568912678.db2.gz FXRUOKLLZIUTRQ-UHFFFAOYSA-N 0 0 413.455 2.878 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(C)c3C)CC2)cc1C ZINC000003557447 568915400 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CCCCN(Cn1nc(-c2cccc(OC)c2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012884399 569019387 /nfs/dbraw/zinc/01/93/87/569019387.db2.gz LEDAONTYZDDGSZ-MRXNPFEDSA-N 0 0 424.592 2.873 50 0 HFAARN COc1ccc(-c2nn(CN(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=S)n2C)cc1 ZINC000012884426 569019436 /nfs/dbraw/zinc/01/94/36/569019436.db2.gz BRGAAKADBGOCEU-MRXNPFEDSA-N 0 0 424.592 2.729 50 0 HFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000012885081 569019450 /nfs/dbraw/zinc/01/94/50/569019450.db2.gz MZROPPXFLCIMBW-UHFFFAOYSA-N 0 0 405.435 2.980 50 0 HFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCNC(=O)c1ccccc1 ZINC000012892060 569020078 /nfs/dbraw/zinc/02/00/78/569020078.db2.gz JPKIRGWHTYXKSC-UHFFFAOYSA-N 0 0 418.291 2.632 50 0 HFAARN Cc1cc(C(=O)NCCc2nnc3ccccn32)c2cnn(Cc3cccs3)c2n1 ZINC000012896956 569020336 /nfs/dbraw/zinc/02/03/36/569020336.db2.gz OSSYWPNSPZXMET-UHFFFAOYSA-N 0 0 417.498 2.865 50 0 HFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000012898862 569020491 /nfs/dbraw/zinc/02/04/91/569020491.db2.gz RGYOFLQLRXYZBN-UHFFFAOYSA-N 0 0 414.506 2.608 50 0 HFAARN Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)nn21 ZINC000012900144 569020587 /nfs/dbraw/zinc/02/05/87/569020587.db2.gz UVKYXPGTYBWIQZ-UHFFFAOYSA-N 0 0 405.443 2.693 50 0 HFAARN COc1ccccc1CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012900512 569020740 /nfs/dbraw/zinc/02/07/40/569020740.db2.gz LTRJFVPWHXKXAM-UHFFFAOYSA-N 0 0 421.497 2.869 50 0 biogenic HFAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000012902841 569020934 /nfs/dbraw/zinc/02/09/34/569020934.db2.gz JWVQMZIKOGNQEG-OAHLLOKOSA-N 0 0 416.481 2.950 50 0 biogenic HFAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1nc(C)c2ccccc2c1=O ZINC000012905315 569021147 /nfs/dbraw/zinc/02/11/47/569021147.db2.gz NWZGABJAGWTKJA-UHFFFAOYSA-N 0 0 406.486 2.891 50 0 HFAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nccs2)CC1 ZINC000012905541 569021206 /nfs/dbraw/zinc/02/12/06/569021206.db2.gz LYPVWSFKYYLYNU-UHFFFAOYSA-N 0 0 402.339 2.725 50 0 HFAARN O=C(Nc1ccccc1O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012906620 569021336 /nfs/dbraw/zinc/02/13/36/569021336.db2.gz DJOOFHQSAFHTBD-UHFFFAOYSA-N 0 0 400.500 2.920 50 0 HFAARN Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012908563 569021621 /nfs/dbraw/zinc/02/16/21/569021621.db2.gz QFYALCCFNSGAEV-UHFFFAOYSA-N 0 0 416.543 2.828 50 0 HFAARN Cc1cccc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000012917945 569022646 /nfs/dbraw/zinc/02/26/46/569022646.db2.gz MISUDPKTWXZYEZ-UHFFFAOYSA-N 0 0 402.516 2.865 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccccc3F)CC2)cc1C ZINC000012924573 569023564 /nfs/dbraw/zinc/02/35/64/569023564.db2.gz BDADRSQQAHSGAE-UHFFFAOYSA-N 0 0 420.506 2.745 50 0 HFAARN C[C@H]1Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2NC1=O ZINC000012929056 569024354 /nfs/dbraw/zinc/02/43/54/569024354.db2.gz RCDWWKCVANABFM-LLVKDONJSA-N 0 0 405.501 2.622 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 ZINC000012930475 569024630 /nfs/dbraw/zinc/02/46/30/569024630.db2.gz MSBCWFCIIWKBSH-MRXNPFEDSA-N 0 0 404.488 2.747 50 0 HFAARN CN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)s1 ZINC000012934799 569026128 /nfs/dbraw/zinc/02/61/28/569026128.db2.gz BQRSLTNMIDMKPG-CQSZACIVSA-N 0 0 404.985 2.792 50 0 HFAARN COC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(C)C ZINC000001558312 569027779 /nfs/dbraw/zinc/02/77/79/569027779.db2.gz XWDOHABSDMDMQB-QZTJIDSGSA-N 0 0 417.506 2.918 50 0 biogenic HFAARN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000012943978 569028880 /nfs/dbraw/zinc/02/88/80/569028880.db2.gz IQOPBYBHRWVFMI-UHFFFAOYSA-N 0 0 416.421 2.808 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012945041 569028949 /nfs/dbraw/zinc/02/89/49/569028949.db2.gz ZAZZBWPCGCZREJ-SFHVURJKSA-N 0 0 416.499 2.685 50 0 HFAARN Cc1ccc(CCCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 ZINC000012951112 569029602 /nfs/dbraw/zinc/02/96/02/569029602.db2.gz BEFSUNHRVVDNOG-UHFFFAOYSA-N 0 0 422.572 2.655 50 0 HFAARN COc1ccc(NC(=O)CCc2ccccc2Br)cc1OCC(N)=O ZINC000053514591 569031199 /nfs/dbraw/zinc/03/11/99/569031199.db2.gz OGVVBAAEIQTGIM-UHFFFAOYSA-N 0 0 407.264 2.893 50 0 HFAARN O=C(/C=C/c1cccs1)OCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000007976799 569031773 /nfs/dbraw/zinc/03/17/73/569031773.db2.gz XTCJQCGVPOKOMS-FDMDGMSGSA-N 0 0 411.545 2.653 50 0 HFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Cl)C2)cc1 ZINC000575610282 569032386 /nfs/dbraw/zinc/03/23/86/569032386.db2.gz GZLBSPPRKPQJIQ-ZDUSSCGKSA-N 0 0 411.867 2.755 50 0 HFAARN O=S(=O)(NC[C@H](c1ccco1)n1cccn1)c1ccc(OC(F)(F)F)cc1 ZINC000575613371 569032640 /nfs/dbraw/zinc/03/26/40/569032640.db2.gz GDRYTYNJCCBQHM-CQSZACIVSA-N 0 0 401.366 2.943 50 0 HFAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000007974052 569032743 /nfs/dbraw/zinc/03/27/43/569032743.db2.gz GRPKHRQGCMQCEF-UHFFFAOYSA-N 0 0 400.870 2.804 50 0 HFAARN O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575614328 569032769 /nfs/dbraw/zinc/03/27/69/569032769.db2.gz ZHYHXMGZZBRHHN-CQSZACIVSA-N 0 0 416.279 2.659 50 0 HFAARN CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(OC)c1 ZINC000006205083 569032979 /nfs/dbraw/zinc/03/29/79/569032979.db2.gz YXLNJQPJZHIELA-UHFFFAOYSA-N 0 0 400.508 2.506 50 0 HFAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=NNC(=O)CC3)ccc2C)c(C)c1 ZINC000006213893 569033203 /nfs/dbraw/zinc/03/32/03/569033203.db2.gz GPTRGINIDOOFMF-UHFFFAOYSA-N 0 0 414.487 2.617 50 0 HFAARN CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035349294 569033508 /nfs/dbraw/zinc/03/35/08/569033508.db2.gz ZVQSHPSNZNAYDP-NDXORKPFSA-N 0 0 411.571 2.816 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000006226744 569033529 /nfs/dbraw/zinc/03/35/29/569033529.db2.gz CAYCWHYACYBPLT-UHFFFAOYSA-N 0 0 416.543 2.797 50 0 HFAARN Cn1ncc2c3ccccc3n(CCCC(=O)NCc3ccc4c(c3)OCO4)c2c1=O ZINC000035372311 569033893 /nfs/dbraw/zinc/03/38/93/569033893.db2.gz NYDYUXGURRCORP-UHFFFAOYSA-N 0 0 418.453 2.714 50 0 HFAARN Cc1ccc(C(=O)N2CCC(N3CCN(Cc4cccc(F)c4)C(=O)C3=O)CC2)cc1 ZINC000035376502 569034173 /nfs/dbraw/zinc/03/41/73/569034173.db2.gz UDQHCMQGHKIQHV-UHFFFAOYSA-N 0 0 423.488 2.610 50 0 HFAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000035396733 569034731 /nfs/dbraw/zinc/03/47/31/569034731.db2.gz CJDHDCFSTITCKB-UHFFFAOYSA-N 0 0 402.516 2.665 50 0 HFAARN CCN(CC[NH+](C)C)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000035397481 569034977 /nfs/dbraw/zinc/03/49/77/569034977.db2.gz ISOUJSMXTVZIMP-UHFFFAOYSA-N 0 0 420.535 2.585 50 0 HFAARN COc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1OC ZINC000006260653 569036073 /nfs/dbraw/zinc/03/60/73/569036073.db2.gz SMZACJYTCGMXGC-LRTDBIEQSA-N 0 0 403.479 2.779 50 0 HFAARN COc1ccc(CNC(=O)CCn2cnc3c4cc(C)ccc4[nH]c3c2=O)c(OC)c1 ZINC000035424201 569036495 /nfs/dbraw/zinc/03/64/95/569036495.db2.gz SFRUTWTXISOEPW-UHFFFAOYSA-N 0 0 420.469 2.910 50 0 HFAARN Cc1cccc(NC(=O)Cn2nc3c(N4CCCC4)nc4ccccc4n3c2=O)c1 ZINC000035425497 569036546 /nfs/dbraw/zinc/03/65/46/569036546.db2.gz FYHUFLHFKQUWRI-UHFFFAOYSA-N 0 0 402.458 2.592 50 0 HFAARN COc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCCC4)c(OC)c1 ZINC000035430497 569036720 /nfs/dbraw/zinc/03/67/20/569036720.db2.gz VYIXHADRSWUVFM-UHFFFAOYSA-N 0 0 413.499 2.972 50 0 HFAARN Cc1cc(C)cc(NC(=O)CN2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 ZINC000035430804 569036823 /nfs/dbraw/zinc/03/68/23/569036823.db2.gz IUQGGUKIFBNLKX-UHFFFAOYSA-N 0 0 408.477 2.792 50 0 biogenic HFAARN Cc1ccc(NC(=O)c2ccc(=O)n(CC(=O)N3CCCc4ccccc43)n2)cc1 ZINC000035449362 569037508 /nfs/dbraw/zinc/03/75/08/569037508.db2.gz WDYOGLOKVDOELU-UHFFFAOYSA-N 0 0 402.454 2.783 50 0 HFAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000035479125 569038476 /nfs/dbraw/zinc/03/84/76/569038476.db2.gz BJFAEOIFXZJXEK-UHFFFAOYSA-N 0 0 421.500 2.715 50 0 HFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccccn1 ZINC000006308000 569038573 /nfs/dbraw/zinc/03/85/73/569038573.db2.gz NGADBWBWFBEAKW-FQEVSTJZSA-N 0 0 420.473 2.534 50 0 HFAARN O=C(NC[C@H](OCCO)c1ccsc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000575621405 569038995 /nfs/dbraw/zinc/03/89/95/569038995.db2.gz OAPBGCGVTRJAHK-AWEZNQCLSA-N 0 0 402.394 2.572 50 0 HFAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3nccnc3-c3cccnc3)cc2)co1 ZINC000575621222 569039024 /nfs/dbraw/zinc/03/90/24/569039024.db2.gz ZUFWAUMNNXSVTF-UHFFFAOYSA-N 0 0 407.455 2.981 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000006313961 569040158 /nfs/dbraw/zinc/04/01/58/569040158.db2.gz ULOLVMBXEZXOHX-UHFFFAOYSA-N 0 0 422.572 2.615 50 0 HFAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)c1 ZINC000035507838 569040984 /nfs/dbraw/zinc/04/09/84/569040984.db2.gz HNUFLGWJKJYUSW-AWEZNQCLSA-N 0 0 421.519 2.715 50 0 HFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000035508288 569041014 /nfs/dbraw/zinc/04/10/14/569041014.db2.gz DJQIFBMLEKEIGO-KRWDZBQOSA-N 0 0 401.470 2.913 50 0 HFAARN CC(=O)O[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000089265715 569041095 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Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O ZINC000017135838 569275385 /nfs/dbraw/zinc/27/53/85/569275385.db2.gz TXBDCYNHCKIZOV-UHFFFAOYSA-N 0 0 407.470 2.601 50 0 HFAARN Cn1cc(C(=O)NCCc2ccccc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149018 569275709 /nfs/dbraw/zinc/27/57/09/569275709.db2.gz ABUUHPRAIMMKQD-UHFFFAOYSA-N 0 0 422.872 2.643 50 0 HFAARN O=C(CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2)NCc1ccco1 ZINC000017189878 569276439 /nfs/dbraw/zinc/27/64/39/569276439.db2.gz VXKRBLJXWXVPPN-UHFFFAOYSA-N 0 0 413.524 2.941 50 0 HFAARN CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000002072328 569277606 /nfs/dbraw/zinc/27/76/06/569277606.db2.gz QTWBRZYWKLPHOI-QGZVFWFLSA-N 0 0 404.532 2.843 50 0 HFAARN O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000006703036 569280048 /nfs/dbraw/zinc/28/00/48/569280048.db2.gz XFNPKVFMOQNCEC-FQEVSTJZSA-N 0 0 409.511 2.952 50 0 HFAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)Nc1nc2ccccc2[nH]1 ZINC000017304058 569281595 /nfs/dbraw/zinc/28/15/95/569281595.db2.gz UJFZMCLPJFWQFA-UHFFFAOYSA-N 0 0 411.487 2.801 50 0 HFAARN COc1cccc(CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)c1 ZINC000000731708 569282283 /nfs/dbraw/zinc/28/22/83/569282283.db2.gz VUGDNFDOUVQFDQ-UHFFFAOYSA-N 0 0 402.476 2.986 50 0 HFAARN COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2OC)C1=O ZINC000002113568 569284242 /nfs/dbraw/zinc/28/42/42/569284242.db2.gz YLBJKRLISOVKMG-CVDCTZTESA-N 0 0 419.481 2.508 50 0 biogenic HFAARN Cc1cc2ncc(CCCNS(=O)(=O)c3ccccc3Br)cn2n1 ZINC000207995771 569285857 /nfs/dbraw/zinc/28/58/57/569285857.db2.gz KLJZUFGLVKZKJX-UHFFFAOYSA-N 0 0 409.309 2.711 50 0 HFAARN COc1ccccc1CCNC(=O)CSCCCN1C(=O)c2ccccc2C1=O ZINC000027190134 569286751 /nfs/dbraw/zinc/28/67/51/569286751.db2.gz DYXRDZBIHMDNBO-UHFFFAOYSA-N 0 0 412.511 2.773 50 0 HFAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)C2=O)cc1 ZINC000252478923 569288866 /nfs/dbraw/zinc/28/88/66/569288866.db2.gz AXJMSSUUSSSWEE-FZKQIMNGSA-N 0 0 421.457 2.858 50 0 HFAARN CC[C@H](C)[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O ZINC000252516483 569292119 /nfs/dbraw/zinc/29/21/19/569292119.db2.gz STDQPPOMFNGHQX-ZQYRFBGISA-N 0 0 419.525 2.865 50 0 biogenic HFAARN CC[C@H](C)[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O ZINC000252516482 569292185 /nfs/dbraw/zinc/29/21/85/569292185.db2.gz STDQPPOMFNGHQX-QNTYUMOHSA-N 0 0 419.525 2.865 50 0 biogenic HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000252517554 569292258 /nfs/dbraw/zinc/29/22/58/569292258.db2.gz LJWIGFTUPIHQJP-OEPMTFCVSA-N 0 0 418.469 2.802 50 0 HFAARN COc1ccccc1CCN1C(=O)N[C@H](CC(=O)Nc2cccc3[nH]ccc32)C1=O ZINC000252519040 569292420 /nfs/dbraw/zinc/29/24/20/569292420.db2.gz AUPVJANBLDYTJZ-GOSISDBHSA-N 0 0 406.442 2.873 50 0 HFAARN CC(C)Cc1nnc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)[nH]1 ZINC000252536075 569292774 /nfs/dbraw/zinc/29/27/74/569292774.db2.gz HOFGTINBPYJZFE-CQSZACIVSA-N 0 0 418.885 2.700 50 0 HFAARN COC(=O)c1ccc(NC(=O)C[C@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000252537660 569293065 /nfs/dbraw/zinc/29/30/65/569293065.db2.gz LZDFZGYXZDVLNC-MRXNPFEDSA-N 0 0 415.833 2.780 50 0 HFAARN COCCNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2cccc(OC)c2)n1 ZINC000037426848 569298636 /nfs/dbraw/zinc/29/86/36/569298636.db2.gz SACXMIXRKXNBIW-KRWDZBQOSA-N 0 0 418.519 2.653 50 0 HFAARN Cc1ccccc1OCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000007671633 569300148 /nfs/dbraw/zinc/30/01/48/569300148.db2.gz QPBFEKZEZRZXLH-QGZVFWFLSA-N 0 0 407.470 2.818 50 0 HFAARN O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2N1 ZINC000007686982 569300765 /nfs/dbraw/zinc/30/07/65/569300765.db2.gz ZMMKORCVPWRUBG-SFHVURJKSA-N 0 0 414.483 2.868 50 0 HFAARN CC(C)CN(C(=O)c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000007687804 569300837 /nfs/dbraw/zinc/30/08/37/569300837.db2.gz AIQIFQKJPCBHHO-UHFFFAOYSA-N 0 0 410.449 2.609 50 0 HFAARN CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000007688636 569300914 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/nfs/dbraw/zinc/31/11/61/569311161.db2.gz PLAZHGBRBJDZGK-UHFFFAOYSA-N 0 0 418.400 2.637 50 0 HFAARN Cc1csc2nc(COC(=O)[C@]34CCC(=O)N3c3ccccc3S4)cc(=O)n12 ZINC000007814695 569312537 /nfs/dbraw/zinc/31/25/37/569312537.db2.gz RPWPHFGETPIICM-LJQANCHMSA-N 0 0 413.480 2.737 50 0 HFAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)CCC2)N1C(=O)c2ccccc2C1=O ZINC000007814639 569312582 /nfs/dbraw/zinc/31/25/82/569312582.db2.gz OUNVWIQSRNQKKL-NRFANRHFSA-N 0 0 420.465 2.978 50 0 HFAARN CS(=O)(=O)c1cccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000018215774 569314916 /nfs/dbraw/zinc/31/49/16/569314916.db2.gz CXCQKEVPASUJNP-UHFFFAOYSA-N 0 0 421.828 2.999 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000007889256 569315252 /nfs/dbraw/zinc/31/52/52/569315252.db2.gz DCFPHNJBZUKNEP-UHFFFAOYSA-N 0 0 414.527 2.721 50 0 HFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000003537493 569321186 /nfs/dbraw/zinc/32/11/86/569321186.db2.gz MOMXVPMAPIOEPV-UHFFFAOYSA-N 0 0 419.466 2.953 50 0 HFAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c(Br)c1 ZINC000002245549 569324159 /nfs/dbraw/zinc/32/41/59/569324159.db2.gz VDNXCMIDCGNXOH-UHFFFAOYSA-N 0 0 419.308 2.856 50 0 HFAARN O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccccc1I ZINC000002261439 569325343 /nfs/dbraw/zinc/32/53/43/569325343.db2.gz ROFCNRMMPQQLCV-AWEZNQCLSA-N 0 0 408.195 2.819 50 0 HFAARN CCn1c2ccccc2c2nnc(-n3ncc4ccc(OC)c(OC)c4c3=O)nc21 ZINC000002267875 569325974 /nfs/dbraw/zinc/32/59/74/569325974.db2.gz XSJKRYFASGXSJO-UHFFFAOYSA-N 0 0 402.414 2.716 50 0 HFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccnc3)CC2)cc1 ZINC000253388012 569364986 /nfs/dbraw/zinc/36/49/86/569364986.db2.gz MGXKRWJIDXNEGR-WKILWMFISA-N 0 0 403.504 2.814 50 0 HFAARN COc1ccccc1CNC(=O)CCN1C=Cc2cc(OC)c(OC)cc2CC1=O ZINC000253399469 569365448 /nfs/dbraw/zinc/36/54/48/569365448.db2.gz CYNQPTUFESAPPY-UHFFFAOYSA-N 0 0 410.470 2.774 50 0 biogenic HFAARN COc1ccc2[nH]cc(CCNC(=O)CC[C@@H]3NC(=O)N(c4ccccc4)C3=O)c2c1 ZINC000253412753 569366703 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571066638 /nfs/dbraw/zinc/06/66/38/571066638.db2.gz TWIRVTAAFMMBFZ-UHFFFAOYSA-N 0 0 417.263 2.852 50 0 HFAARN CC(C)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CCc2ccccc2)c1=O ZINC000067292025 571068013 /nfs/dbraw/zinc/06/80/13/571068013.db2.gz NOZHDFTTZKQAJH-UHFFFAOYSA-N 0 0 405.454 2.677 50 0 HFAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCc2ccccc2)c(=O)c1CCO ZINC000067300445 571073639 /nfs/dbraw/zinc/07/36/39/571073639.db2.gz QBAMBQLZFIZUES-UHFFFAOYSA-N 0 0 411.889 2.723 50 0 HFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2cccnc2Cl)c(=O)c1CCO ZINC000067301115 571073982 /nfs/dbraw/zinc/07/39/82/571073982.db2.gz VPOGTJLYDIGENY-UHFFFAOYSA-N 0 0 416.840 2.580 50 0 HFAARN O=C(CSc1nc2ccccc2o1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000008526546 571074228 /nfs/dbraw/zinc/07/42/28/571074228.db2.gz IIXNLHHCDLWTRL-CYBMUJFWSA-N 0 0 406.485 2.729 50 0 HFAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)N2CCc3ccccc32)c(=O)c1CCO ZINC000067301745 571074740 /nfs/dbraw/zinc/07/47/40/571074740.db2.gz FWJHABZYCSCVRF-UHFFFAOYSA-N 0 0 423.900 2.996 50 0 HFAARN CCCCNC(=O)CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 ZINC000067317632 571076161 /nfs/dbraw/zinc/07/61/61/571076161.db2.gz AJTQSGOKFNJNLS-UHFFFAOYSA-N 0 0 414.428 2.575 50 0 HFAARN CCN(C(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)c1ccccc1 ZINC000067318809 571076214 /nfs/dbraw/zinc/07/62/14/571076214.db2.gz AJBWRMHYJPNXLI-UHFFFAOYSA-N 0 0 419.481 2.527 50 0 HFAARN CCOCCCNc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000008547600 571077691 /nfs/dbraw/zinc/07/76/91/571077691.db2.gz KGNHKMSQRRHKEI-UHFFFAOYSA-N 0 0 408.505 2.683 50 0 HFAARN COc1cccc(N2CCN(c3ncc(C(=O)Nc4ccccc4)c(N)n3)CC2)c1 ZINC000067336582 571080082 /nfs/dbraw/zinc/08/00/82/571080082.db2.gz WVRXAZFIXSMMJE-UHFFFAOYSA-N 0 0 404.474 2.646 50 0 HFAARN COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccc(C)cc3)s2)cc1 ZINC000008588078 571084132 /nfs/dbraw/zinc/08/41/32/571084132.db2.gz XPNSBPBKPUJPIX-UHFFFAOYSA-N 0 0 418.500 2.933 50 0 HFAARN COc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000038834215 571085620 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571268374 /nfs/dbraw/zinc/26/83/74/571268374.db2.gz RAYJCSGSOFIVNH-UHFFFAOYSA-N 0 0 419.528 2.819 50 0 HFAARN COc1ccc(NC(=O)c2nnn(-c3ccc(OC)c(OC)c3)c2N)cc1Cl ZINC000009576142 571269698 /nfs/dbraw/zinc/26/96/98/571269698.db2.gz BTIKDCCRICEALI-UHFFFAOYSA-N 0 0 403.826 2.781 50 0 HFAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000070636562 571270508 /nfs/dbraw/zinc/27/05/08/571270508.db2.gz XNXLJSMQGXVOOY-KRWDZBQOSA-N 0 0 400.784 2.523 50 0 HFAARN COc1ccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c(OC)c1 ZINC000009584519 571271097 /nfs/dbraw/zinc/27/10/97/571271097.db2.gz VJMVCDAJGCERNH-OAQYLSRUSA-N 0 0 416.430 2.969 50 0 HFAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000009584458 571271126 /nfs/dbraw/zinc/27/11/26/571271126.db2.gz SZETUJXPGYLTED-UHFFFAOYSA-N 0 0 420.805 2.658 50 0 HFAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009603917 571273052 /nfs/dbraw/zinc/27/30/52/571273052.db2.gz KRJCVFJVVXIHRE-LBPRGKRZSA-N 0 0 412.496 2.876 50 0 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ZINC000020811716 558416571 /nfs/dbraw/zinc/41/65/71/558416571.db2.gz GDBLLDRMBHIZSL-SFHVURJKSA-N 0 0 418.557 2.952 50 0 HFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000020848173 558417252 /nfs/dbraw/zinc/41/72/52/558417252.db2.gz QAGSQXXLQSPYDE-UHFFFAOYSA-N 0 0 407.473 2.511 50 0 HFAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NC[C@@H]1COCCO1 ZINC000012457569 558417845 /nfs/dbraw/zinc/41/78/45/558417845.db2.gz WGRVCBWNYNPPCV-MRXNPFEDSA-N 0 0 405.882 2.657 50 0 HFAARN C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1ccc(Br)cc1 ZINC000020868689 558418109 /nfs/dbraw/zinc/41/81/09/558418109.db2.gz PBVLHXWSFYQUBF-LURJTMIESA-N 0 0 410.219 2.893 50 0 HFAARN Cc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(F)cc2)cc1 ZINC000012461995 558419099 /nfs/dbraw/zinc/41/90/99/558419099.db2.gz DMMSJGLDKIFRNY-UHFFFAOYSA-N 0 0 403.417 2.790 50 0 HFAARN CCOC(=O)CCNC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000012481622 558423445 /nfs/dbraw/zinc/42/34/45/558423445.db2.gz ZBTREOCOOYLKEB-UHFFFAOYSA-N 0 0 407.486 2.597 50 0 HFAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cnn(-c2ccccc2)c1 ZINC000010707627 558423461 /nfs/dbraw/zinc/42/34/61/558423461.db2.gz RUAKVGZZOPBINW-UHFFFAOYSA-N 0 0 412.515 2.630 50 0 HFAARN Cc1nn(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)c(C)c1C ZINC000012517975 558424300 /nfs/dbraw/zinc/42/43/00/558424300.db2.gz VNIGAUAAKLUVLU-UHFFFAOYSA-N 0 0 414.469 2.736 50 0 HFAARN O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000020999428 558427806 /nfs/dbraw/zinc/42/78/06/558427806.db2.gz ZLSKQCKYQSZUTK-UHFFFAOYSA-N 0 0 410.909 2.922 50 0 HFAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000021134469 558431950 /nfs/dbraw/zinc/43/19/50/558431950.db2.gz NBJZMZIUXCNBGF-UHFFFAOYSA-N 0 0 420.579 2.655 50 0 HFAARN Cc1cccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3cccnc32)c1 ZINC000021158013 558432625 /nfs/dbraw/zinc/43/26/25/558432625.db2.gz NHMFNDKVGULQJW-UHFFFAOYSA-N 0 0 406.467 2.615 50 0 HFAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCCN2CCCC2=O)C1 ZINC000012590167 558435345 /nfs/dbraw/zinc/43/53/45/558435345.db2.gz SOBAZINQQHCYDP-QHCPKHFHSA-N 0 0 418.509 2.943 50 0 HFAARN CCn1nc(C)c(CNC(=O)CCc2nnc(CCc3ccccc3OC)o2)c1C ZINC000012591664 558436008 /nfs/dbraw/zinc/43/60/08/558436008.db2.gz OEZQIZNTHRSAGV-UHFFFAOYSA-N 0 0 411.506 2.946 50 0 HFAARN Cc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cnc12 ZINC000010759123 558438610 /nfs/dbraw/zinc/43/86/10/558438610.db2.gz WMFBAVVYYKOABZ-KRWDZBQOSA-N 0 0 416.485 2.943 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000010752501 558439337 /nfs/dbraw/zinc/43/93/37/558439337.db2.gz MSXWNOFNYZQMMX-LJQANCHMSA-N 0 0 408.545 2.683 50 0 HFAARN O=C(NC[C@@H]1CCCO1)/C(=C\c1cccc(Br)c1)n1ccccc1=O ZINC000012628273 558440615 /nfs/dbraw/zinc/44/06/15/558440615.db2.gz AMWYCEAOULMTFH-WLSWZUKCSA-N 0 0 403.276 2.904 50 0 HFAARN O=C(CNC(=O)c1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533261 558440904 /nfs/dbraw/zinc/44/09/04/558440904.db2.gz IQVGEBIBZLQYBL-UHFFFAOYSA-N 0 0 406.408 2.569 50 0 HFAARN Cc1nc(SCCN2C(=O)c3ccccc3S2(=O)=O)n(C[C@@H]2CCCO2)c1C ZINC000021569339 558441680 /nfs/dbraw/zinc/44/16/80/558441680.db2.gz LIDQYEAQEVSJFA-HNNXBMFYSA-N 0 0 421.544 2.616 50 0 HFAARN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000012653849 558444287 /nfs/dbraw/zinc/44/42/87/558444287.db2.gz ZEDHIEZHUFSLGL-UHFFFAOYSA-N 0 0 424.276 2.986 50 0 HFAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCc3ccco3)cc2Cl)CC1 ZINC000012707799 558450601 /nfs/dbraw/zinc/45/06/01/558450601.db2.gz NGWCSVXBVVAMTO-UHFFFAOYSA-N 0 0 412.895 2.666 50 0 HFAARN COc1ccccc1N1CCN([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000021822047 558451121 /nfs/dbraw/zinc/45/11/21/558451121.db2.gz BIQZMJOUJYUZCH-NRFANRHFSA-N 0 0 422.573 2.550 50 0 HFAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCC(F)(F)F ZINC000021841765 558451950 /nfs/dbraw/zinc/45/19/50/558451950.db2.gz DRFHJCPPIQQPME-UHFFFAOYSA-N 0 0 413.318 2.539 50 0 HFAARN C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010795549 558454057 /nfs/dbraw/zinc/45/40/57/558454057.db2.gz VAGICZOMJWVEBR-JTQLQIEISA-N 0 0 416.377 2.537 50 0 HFAARN CCOC(=O)CCNC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012714150 558454323 /nfs/dbraw/zinc/45/43/23/558454323.db2.gz HKSDOEBNHLPTHE-MRXNPFEDSA-N 0 0 407.486 2.597 50 0 HFAARN O=C(CSc1ccccc1)N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012715940 558455110 /nfs/dbraw/zinc/45/51/10/558455110.db2.gz JGHRESVUNPFSCU-INIZCTEOSA-N 0 0 414.531 2.814 50 0 HFAARN CC[C@H](CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C)c1ccccc1 ZINC000021931969 558455879 /nfs/dbraw/zinc/45/58/79/558455879.db2.gz RQAKLAZGZYFFCP-QGZVFWFLSA-N 0 0 404.532 2.843 50 0 HFAARN O=C(NC1CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000012748420 558458743 /nfs/dbraw/zinc/45/87/43/558458743.db2.gz ZXUQYHWWYJUUHM-UHFFFAOYSA-N 0 0 401.419 2.773 50 0 HFAARN O=C(CCCN1CCCC1=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC000012750305 558458837 /nfs/dbraw/zinc/45/88/37/558458837.db2.gz WBUWCKPCJJCCSH-INIZCTEOSA-N 0 0 405.926 2.711 50 0 HFAARN O=C(CCCN1CCCC1=O)N1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC000012750310 558458877 /nfs/dbraw/zinc/45/88/77/558458877.db2.gz WBUWCKPCJJCCSH-MRXNPFEDSA-N 0 0 405.926 2.711 50 0 HFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000004370418 558462527 /nfs/dbraw/zinc/46/25/27/558462527.db2.gz ZSYWWVOSBKSSAX-GFCCVEGCSA-N 0 0 413.865 2.559 50 0 HFAARN COC(=O)C[C@H](NC(=O)c1cccc(CN2C(=O)CSC2=O)c1)c1ccccc1 ZINC000012789998 558464906 /nfs/dbraw/zinc/46/49/06/558464906.db2.gz CEUNHDLUMJYBRA-KRWDZBQOSA-N 0 0 412.467 2.916 50 0 HFAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1OC(F)(F)F ZINC000012792357 558466493 /nfs/dbraw/zinc/46/64/93/558466493.db2.gz BBLVKSUJTPDHOM-UHFFFAOYSA-N 0 0 419.359 2.596 50 0 HFAARN Cc1nc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n[nH]1 ZINC000022284422 558476183 /nfs/dbraw/zinc/47/61/83/558476183.db2.gz JLORYKAYOQTDFE-UHFFFAOYSA-N 0 0 420.848 2.621 50 0 HFAARN COc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000010833809 558477816 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558595784 /nfs/dbraw/zinc/59/57/84/558595784.db2.gz RTXBYBVMBGDGNQ-UHFFFAOYSA-N 0 0 407.470 2.993 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CSCC(=O)OCC(=O)c2ccccc2)cc1 ZINC000004473737 558599202 /nfs/dbraw/zinc/59/92/02/558599202.db2.gz YICLUDRJTOGRBB-UHFFFAOYSA-N 0 0 415.467 2.961 50 0 HFAARN Cc1cccc(-n2ncc3c2ncn(CC(=O)NCCc2ccccc2)c3=O)c1C ZINC000004479211 558601758 /nfs/dbraw/zinc/60/17/58/558601758.db2.gz XRBVTWPCGFSQRH-UHFFFAOYSA-N 0 0 401.470 2.558 50 0 HFAARN O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000024602125 558602367 /nfs/dbraw/zinc/60/23/67/558602367.db2.gz SJEWWMRKJGOUMU-UHFFFAOYSA-N 0 0 409.437 2.856 50 0 HFAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)nc(CN2CCOCC2)[nH]c3=O)c(C)c1 ZINC000024602401 558602368 /nfs/dbraw/zinc/60/23/68/558602368.db2.gz UXFVOMLDMQPRDQ-UHFFFAOYSA-N 0 0 406.486 2.933 50 0 HFAARN O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000024609745 558603749 /nfs/dbraw/zinc/60/37/49/558603749.db2.gz USJUVSKRYIMJPI-UHFFFAOYSA-N 0 0 404.507 2.726 50 0 HFAARN 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415.902 2.883 50 0 HFAARN CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000096105617 568693101 /nfs/dbraw/zinc/69/31/01/568693101.db2.gz LYHRZLZAYHNVHB-UHFFFAOYSA-N 0 0 424.476 2.619 50 0 HFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000096114002 568693651 /nfs/dbraw/zinc/69/36/51/568693651.db2.gz KJFWTULWDGNPIG-SFHVURJKSA-N 0 0 424.888 2.942 50 0 biogenic HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000096114098 568693739 /nfs/dbraw/zinc/69/37/39/568693739.db2.gz OGTBQJKAZNQWOT-KRWDZBQOSA-N 0 0 410.861 2.552 50 0 biogenic HFAARN O=C(CCNC(=O)OCc1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000012391269 568695743 /nfs/dbraw/zinc/69/57/43/568695743.db2.gz KICAFUCKOSRZIJ-UHFFFAOYSA-N 0 0 407.474 2.752 50 0 HFAARN Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)c(-n2cnnn2)c1C ZINC000096117925 568697418 /nfs/dbraw/zinc/69/74/18/568697418.db2.gz XBYXSDGSYNXZCE-KRWDZBQOSA-N 0 0 404.478 2.839 50 0 HFAARN COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)CC1=O ZINC000096118743 568698476 /nfs/dbraw/zinc/69/84/76/568698476.db2.gz LPPBQULSPLCPAZ-QGZVFWFLSA-N 0 0 410.470 2.886 50 0 HFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2O1 ZINC000096125630 568701293 /nfs/dbraw/zinc/70/12/93/568701293.db2.gz DQZZSBADVBDGNP-RCDICMHDSA-N 0 0 403.475 2.668 50 0 biogenic HFAARN Cn1c(CCNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)nc2ccccc21 ZINC000096222298 568705436 /nfs/dbraw/zinc/70/54/36/568705436.db2.gz LQTSYRUWNBZHLN-UHFFFAOYSA-N 0 0 423.469 2.760 50 0 biogenic HFAARN COc1ccc2nnc(CCC(=O)NCCc3nc(-c4ccccc4)cs3)n2n1 ZINC000096232381 568708126 /nfs/dbraw/zinc/70/81/26/568708126.db2.gz OQAJSZXHPYNYAX-UHFFFAOYSA-N 0 0 408.487 2.548 50 0 HFAARN O=C(c1ccccc1)N1CCc2nc(N3CCOCC3)nc(N3CCCCC3)c2C1 ZINC000096236584 568708683 /nfs/dbraw/zinc/70/86/83/568708683.db2.gz ZHDFVVQAXSJRJJ-UHFFFAOYSA-N 0 0 407.518 2.502 50 0 HFAARN COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000012402744 568710311 /nfs/dbraw/zinc/71/03/11/568710311.db2.gz RNBGLWZBJRVNBX-OALUTQOASA-N 0 0 405.878 2.932 50 0 HFAARN COc1ccccc1NC(=O)CN1CCCN(Cc2cc(C)ccc2C)S1(=O)=O ZINC000021531351 568711007 /nfs/dbraw/zinc/71/10/07/568711007.db2.gz BPEGCWKGIYWSHS-UHFFFAOYSA-N 0 0 417.531 2.703 50 0 HFAARN CCN1CCN(c2nnc(-n3cccc3C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000021535345 568711735 /nfs/dbraw/zinc/71/17/35/568711735.db2.gz IOIDCGGXUWXSMV-UHFFFAOYSA-N 0 0 400.483 2.862 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCCCC1 ZINC000021535699 568711917 /nfs/dbraw/zinc/71/19/17/568711917.db2.gz KGDJUUJNLQUKQJ-FQEVSTJZSA-N 0 0 421.563 2.713 50 0 HFAARN CCCC1=C(C(=O)OCC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 ZINC000000850201 568712075 /nfs/dbraw/zinc/71/20/75/568712075.db2.gz YQFVLFHJOMYVHI-QFIPXVFZSA-N 0 0 414.458 2.646 50 0 HFAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)Nc1ccc2c(c1)OCO2 ZINC000021537404 568712346 /nfs/dbraw/zinc/71/23/46/568712346.db2.gz SSRHPQUMGVLRTB-UHFFFAOYSA-N 0 0 421.438 2.544 50 0 HFAARN O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000025008889 568713507 /nfs/dbraw/zinc/71/35/07/568713507.db2.gz SXPDXYPATKRYGG-UHFFFAOYSA-N 0 0 414.452 2.998 50 0 HFAARN CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C(=O)OC)c1ccc(Br)cc1)CC2 ZINC000229751750 568715157 /nfs/dbraw/zinc/71/51/57/568715157.db2.gz PPFISGBDSLVTRJ-GVDBMIGSSA-N 0 0 412.324 2.915 50 0 HFAARN CC[C@]1(C(=O)c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)N1CCOCC1 ZINC000229906878 568715968 /nfs/dbraw/zinc/71/59/68/568715968.db2.gz PIXYVSJLFROAAR-CTUHWIOQSA-N 0 0 405.450 2.827 50 0 HFAARN CN1C(=O)C2(Cc3ccccc3N3CC[C@H](c4ccccc4)[C@H]32)C(=O)N(C)C1=S ZINC000229914789 568716078 /nfs/dbraw/zinc/71/60/78/568716078.db2.gz IQOVOUHZEWCXTA-MJGOQNOKSA-N 0 0 405.523 2.807 50 0 HFAARN COCCNC(=O)CNC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1 ZINC000096279267 568717579 /nfs/dbraw/zinc/71/75/79/568717579.db2.gz CFDSRMBZWGTMAK-UHFFFAOYSA-N 0 0 403.291 2.686 50 0 HFAARN CCOC(=O)[C@@H](C)N(CCCOC)CC(=O)N1CCS[C@@H]1c1ccc(F)cc1 ZINC000096299890 568722938 /nfs/dbraw/zinc/72/29/38/568722938.db2.gz GTNJSFSOCSVVCT-DNVCBOLYSA-N 0 0 412.527 2.690 50 0 HFAARN CCOC(=O)c1nc(CN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)cs1 ZINC000096308905 568723603 /nfs/dbraw/zinc/72/36/03/568723603.db2.gz GRTBBZFDZZZZOD-CQSZACIVSA-N 0 0 420.510 2.604 50 0 HFAARN Cc1ccc(S(=O)(=O)NCC2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000096309502 568723822 /nfs/dbraw/zinc/72/38/22/568723822.db2.gz ZSQKQPXUTOVCOQ-UHFFFAOYSA-N 0 0 411.531 2.975 50 0 HFAARN COc1cccc(OC)c1C(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 ZINC000012443228 568724800 /nfs/dbraw/zinc/72/48/00/568724800.db2.gz ROMITHMFKKKZHR-UHFFFAOYSA-N 0 0 419.441 2.617 50 0 HFAARN Cc1c(I)[nH]c(I)c1/C=C/[N+](=O)[O-] ZINC000004831040 568725982 /nfs/dbraw/zinc/72/59/82/568725982.db2.gz XBVJSDPCYKFRBD-NSCUHMNNSA-N 0 0 403.945 2.780 50 0 HFAARN CCc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)NCc2ccco2)c1=O ZINC000096318235 568727059 /nfs/dbraw/zinc/72/70/59/568727059.db2.gz OLRWMALMTQKNLE-UHFFFAOYSA-N 0 0 417.465 2.933 50 0 HFAARN CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000238950817 568727575 /nfs/dbraw/zinc/72/75/75/568727575.db2.gz ZSDOFPOOXFKXDY-JTDSTZFVSA-N 0 0 424.375 2.895 50 0 HFAARN CCc1nn2c(nc(CSc3nnc(-c4cccc(F)c4)n3C)cc2=O)s1 ZINC000021643568 568727783 /nfs/dbraw/zinc/72/77/83/568727783.db2.gz KTTPRIJWYWRZMS-UHFFFAOYSA-N 0 0 402.480 2.940 50 0 HFAARN CCOc1ccc(CNC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)cc1 ZINC000096320004 568728280 /nfs/dbraw/zinc/72/82/80/568728280.db2.gz YDCRPHSCBIJCNM-UHFFFAOYSA-N 0 0 405.520 2.745 50 0 HFAARN Cc1nn(CC(=O)NC2CC2)c(=O)c2c1nn(-c1ccc(Cl)cc1)c2-n1cccc1 ZINC000021647744 568728329 /nfs/dbraw/zinc/72/83/29/568728329.db2.gz YRSFEHWFEIJYEX-UHFFFAOYSA-N 0 0 422.876 2.613 50 0 HFAARN COc1ccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)cc1OC ZINC000096319973 568728342 /nfs/dbraw/zinc/72/83/42/568728342.db2.gz YNORLEOCXXKLMG-UHFFFAOYSA-N 0 0 407.492 2.686 50 0 HFAARN CCc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c[nH]2)o1 ZINC000096321610 568728829 /nfs/dbraw/zinc/72/88/29/568728829.db2.gz FHZIUHDKRCIGEC-OAHLLOKOSA-N 0 0 415.519 2.835 50 0 HFAARN Cc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c[nH]2)o1 ZINC000096321582 568728947 /nfs/dbraw/zinc/72/89/47/568728947.db2.gz NRNXVXWDUVZBIS-AWEZNQCLSA-N 0 0 401.492 2.581 50 0 HFAARN CC(C)n1c2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000096321508 568728956 /nfs/dbraw/zinc/72/89/56/568728956.db2.gz ZVWROBFARGFDFH-ZDUSSCGKSA-N 0 0 419.441 2.812 50 0 HFAARN CCn1c(=O)c(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)nc2cccnc21 ZINC000096321650 568729116 /nfs/dbraw/zinc/72/91/16/568729116.db2.gz PUCBIRZYUIYORY-UHFFFAOYSA-N 0 0 406.490 2.782 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000096322064 568729858 /nfs/dbraw/zinc/72/98/58/568729858.db2.gz VZWYNXYAYSKWSE-UHFFFAOYSA-N 0 0 414.443 2.549 50 0 HFAARN Cc1ccccc1NC(=O)Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O ZINC000096322486 568730633 /nfs/dbraw/zinc/73/06/33/568730633.db2.gz AJQXFPRNTLOTCI-UHFFFAOYSA-N 0 0 416.416 2.897 50 0 HFAARN CCCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)[C@H](C)C(=O)OCC ZINC000241720906 568731865 /nfs/dbraw/zinc/73/18/65/568731865.db2.gz QTGREEWRMYYDJS-OAHLLOKOSA-N 0 0 404.536 2.940 50 0 HFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000096323444 568731902 /nfs/dbraw/zinc/73/19/02/568731902.db2.gz VJVNEGLCEHJSPB-UHFFFAOYSA-N 0 0 418.563 2.547 50 0 HFAARN COc1cc(NC(=O)CSc2nccnc2N2CCSCC2)cc(OC)c1 ZINC000021656926 568732415 /nfs/dbraw/zinc/73/24/15/568732415.db2.gz CASLMJCRPOTSTE-UHFFFAOYSA-N 0 0 406.533 2.778 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)CSc1nccnc1N1CCSCC1 ZINC000021656936 568732427 /nfs/dbraw/zinc/73/24/27/568732427.db2.gz AJQLRAUULAUVNI-UHFFFAOYSA-N 0 0 418.544 2.937 50 0 HFAARN COc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1 ZINC000096324651 568733905 /nfs/dbraw/zinc/73/39/05/568733905.db2.gz DOJAOKGWSSURNW-UHFFFAOYSA-N 0 0 405.458 2.971 50 0 HFAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000096324808 568734682 /nfs/dbraw/zinc/73/46/82/568734682.db2.gz QYJMYWCUWICBDP-LJQANCHMSA-N 0 0 403.486 2.949 50 0 HFAARN Cn1cccc1C(=O)N1CCc2c(c(-c3nc(Cc4ccccc4)no3)nn2C)C1 ZINC000096331527 568735940 /nfs/dbraw/zinc/73/59/40/568735940.db2.gz KWTWQRYYMWIEQD-UHFFFAOYSA-N 0 0 402.458 2.598 50 0 HFAARN COc1cccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)c1 ZINC000245297658 568736132 /nfs/dbraw/zinc/73/61/32/568736132.db2.gz WDGWHTOEYOJRNE-JPAWQOSXSA-N 0 0 406.475 2.638 50 0 biogenic HFAARN COc1ccc(CC(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C(C)C)cc1Cl ZINC000096332397 568736284 /nfs/dbraw/zinc/73/62/84/568736284.db2.gz VVJYPMCXWZSVPA-IBGZPJMESA-N 0 0 414.893 2.969 50 0 HFAARN Cc1cccc(NC(=O)NC2CCN(c3nc4cccnc4n(C)c3=O)CC2)c1C ZINC000096333220 568736647 /nfs/dbraw/zinc/73/66/47/568736647.db2.gz CWBIMBVPFJPYDD-UHFFFAOYSA-N 0 0 406.490 2.736 50 0 HFAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096344122 568737308 /nfs/dbraw/zinc/73/73/08/568737308.db2.gz 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CCCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000018947597 568743799 /nfs/dbraw/zinc/74/37/99/568743799.db2.gz VAZDDDZLWCVBDL-AWEZNQCLSA-N 0 0 424.544 2.867 50 0 HFAARN O=C(Cc1ccc2c(c1)OCCO2)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948336 568743963 /nfs/dbraw/zinc/74/39/63/568743963.db2.gz BYHDBISJLNVKNE-UHFFFAOYSA-N 0 0 422.437 2.858 50 0 HFAARN O=C1[C@@H](NS(=O)(=O)c2ccc(Br)s2)CCN1c1ccc(F)cc1 ZINC000096396254 568744693 /nfs/dbraw/zinc/74/46/93/568744693.db2.gz WBWYTVXKJJJWHL-NSHDSACASA-N 0 0 419.297 2.734 50 0 HFAARN O=C(NCCCN1CCCc2ccccc21)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397701 568746330 /nfs/dbraw/zinc/74/63/30/568746330.db2.gz VYAIRVKIAJDRMH-UHFFFAOYSA-N 0 0 420.448 2.695 50 0 HFAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398350 568746865 /nfs/dbraw/zinc/74/68/65/568746865.db2.gz KJFLYZNYKKWRGE-INIZCTEOSA-N 0 0 418.559 2.891 50 0 HFAARN COC(=O)c1ccc(Nc2nc3c(nnn3-c3ccc(C(=O)OC)cc3)c(C)n2)cc1 ZINC000021777089 568752232 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CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1 ZINC000004307753 568977867 /nfs/dbraw/zinc/97/78/67/568977867.db2.gz PODUZENYTIWUKB-FQEVSTJZSA-N 0 0 414.849 2.704 50 0 HFAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc2c(c1)OCCO2 ZINC000008157166 568978608 /nfs/dbraw/zinc/97/86/08/568978608.db2.gz KOEFZWHDGJKWPC-LBPRGKRZSA-N 0 0 408.505 2.631 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)cc1 ZINC000015727751 568978692 /nfs/dbraw/zinc/97/86/92/568978692.db2.gz UBJVLXVOLVVWGI-UHFFFAOYSA-N 0 0 410.430 2.797 50 0 HFAARN COc1ccc(NC(=O)c2c(C)oc3nc(C)nc(N4CCOCC4)c32)c(OC)c1 ZINC000015727840 568979044 /nfs/dbraw/zinc/97/90/44/568979044.db2.gz BXSLBWYVZHPTMZ-UHFFFAOYSA-N 0 0 412.446 2.946 50 0 HFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012808787 568980775 /nfs/dbraw/zinc/98/07/75/568980775.db2.gz PNIKESXOOAPBAO-KRWDZBQOSA-N 0 0 419.481 2.940 50 0 HFAARN O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1C(=O)NC1CC1 ZINC000008189485 568980892 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CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1 ZINC000064957632 569134057 /nfs/dbraw/zinc/13/40/57/569134057.db2.gz FJADYPMRRNQWHH-UHFFFAOYSA-N 0 0 420.535 2.902 50 0 HFAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)oc2c1 ZINC000006811419 569136090 /nfs/dbraw/zinc/13/60/90/569136090.db2.gz LGGBMIQDDBCSEB-AWEZNQCLSA-N 0 0 401.440 2.524 50 0 HFAARN CCn1c2c(nc(-c3cccc(F)c3F)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965947 569137365 /nfs/dbraw/zinc/13/73/65/569137365.db2.gz ZPOVCCXXEMENTL-UHFFFAOYSA-N 0 0 413.359 2.785 50 0 HFAARN CCn1c2c(nc(-c3cccc(OC)c3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064965921 569137392 /nfs/dbraw/zinc/13/73/92/569137392.db2.gz DJDXNSVYDNBJAD-UHFFFAOYSA-N 0 0 407.405 2.516 50 0 HFAARN O=C(NCCc1nc(-c2ccc3c(c2)OCO3)n[nH]1)c1cccc(Br)c1 ZINC000064969417 569138026 /nfs/dbraw/zinc/13/80/26/569138026.db2.gz RGAFOTIDVJMVQP-UHFFFAOYSA-N 0 0 415.247 2.935 50 0 HFAARN CCOCCCNC(=O)CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21 ZINC000064971397 569138243 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/nfs/dbraw/zinc/19/39/00/569193900.db2.gz WGVCONYMGNNZTF-SFHVURJKSA-N 0 0 405.454 2.790 50 0 HFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4cccc(C)c4)CC3=O)ccc21 ZINC000065195456 569194233 /nfs/dbraw/zinc/19/42/33/569194233.db2.gz OHWCHLLGJKVDBE-LJQANCHMSA-N 0 0 405.498 2.963 50 0 HFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4ccccc4C)CC3=O)ccc21 ZINC000065195454 569194243 /nfs/dbraw/zinc/19/42/43/569194243.db2.gz JQTOWCKYQTWAAS-LJQANCHMSA-N 0 0 405.498 2.963 50 0 HFAARN O=C(NCc1ccccc1F)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195531 569194342 /nfs/dbraw/zinc/19/43/42/569194342.db2.gz VFIZLLWYKXDQMD-SFHVURJKSA-N 0 0 421.472 2.794 50 0 HFAARN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4oc(C)nc4c3)C2)c1OC ZINC000065195632 569194396 /nfs/dbraw/zinc/19/43/96/569194396.db2.gz CYZVQGFTYZTIND-OAHLLOKOSA-N 0 0 409.442 2.823 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4ccccc4)n3c2=O)c(OC)c1 ZINC000065196476 569194533 /nfs/dbraw/zinc/19/45/33/569194533.db2.gz FKSWLWFWOTYCSK-UHFFFAOYSA-N 0 0 419.441 2.522 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/nfs/dbraw/zinc/19/68/40/569196840.db2.gz KPIXOSUJRDKNEY-UHFFFAOYSA-N 0 0 406.490 2.595 50 0 HFAARN CC(C)[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)NC(N)=O ZINC000006994366 569197008 /nfs/dbraw/zinc/19/70/08/569197008.db2.gz LCCZCABUPGJXJL-AWEZNQCLSA-N 0 0 422.942 2.833 50 0 HFAARN CC(C)CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 ZINC000006996646 569197120 /nfs/dbraw/zinc/19/71/20/569197120.db2.gz POYYSAHXDHVVJV-UHFFFAOYSA-N 0 0 402.929 2.997 50 0 HFAARN Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(Cl)c3)ccc21 ZINC000007003158 569199053 /nfs/dbraw/zinc/19/90/53/569199053.db2.gz YSXAQJZZFGOLMR-UHFFFAOYSA-N 0 0 412.826 2.727 50 0 HFAARN COc1ccc2c(COC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc(=O)oc2c1 ZINC000007016287 569201023 /nfs/dbraw/zinc/20/10/23/569201023.db2.gz MJHOMJHZEQKAHK-UHFFFAOYSA-N 0 0 409.316 2.726 50 0 HFAARN COc1cccc(CCC(=O)Nc2cnn(-c3ncc(N4CCSCC4)cn3)c2)c1 ZINC000065231870 569201296 /nfs/dbraw/zinc/20/12/96/569201296.db2.gz ZRBVMVPWYLIRKO-UHFFFAOYSA-N 0 0 424.530 2.795 50 0 HFAARN Cc1ccc(N2C(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C(=O)[C@@H]2C)cc1 ZINC000007018923 569201909 /nfs/dbraw/zinc/20/19/09/569201909.db2.gz KAHDLICRHRHGFZ-CVEARBPZSA-N 0 0 420.469 2.916 50 0 HFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(F)ccc2N3C)c(OC)c1 ZINC000065233244 569202238 /nfs/dbraw/zinc/20/22/38/569202238.db2.gz PSLFJOPLOXGWMG-UHFFFAOYSA-N 0 0 413.449 2.655 50 0 biogenic HFAARN C[C@@H]1CCCN(Cc2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)no2)C1 ZINC000065235902 569202599 /nfs/dbraw/zinc/20/25/99/569202599.db2.gz OHKHKNQYKYUPGC-OAHLLOKOSA-N 0 0 422.464 2.965 50 0 HFAARN COc1cc(NC(=O)C2CCN(c3cc(N4CCCC4)ncn3)CC2)cc(OC)c1 ZINC000065236992 569202651 /nfs/dbraw/zinc/20/26/51/569202651.db2.gz GQEWLEVVTPHKDE-UHFFFAOYSA-N 0 0 411.506 2.949 50 0 HFAARN COc1ccc(OC)c(NC(=O)C2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 ZINC000065236987 569202707 /nfs/dbraw/zinc/20/27/07/569202707.db2.gz BCIAVYPKJRMKLO-UHFFFAOYSA-N 0 0 411.506 2.949 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000065236998 569202766 /nfs/dbraw/zinc/20/27/66/569202766.db2.gz SPWPQIFQNOEYDO-UHFFFAOYSA-N 0 0 409.490 2.703 50 0 HFAARN Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)c1 ZINC000065237459 569202860 /nfs/dbraw/zinc/20/28/60/569202860.db2.gz VAHQFFBVZSAIBY-UHFFFAOYSA-N 0 0 417.531 2.669 50 0 HFAARN C=C1C(N2CCC(NC(=O)c3ccncc3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239188 569203237 /nfs/dbraw/zinc/20/32/37/569203237.db2.gz IBYNXFUQMAPBBV-UHFFFAOYSA-N 0 0 424.526 2.757 50 0 HFAARN COc1cccc(CNC(=O)c2cn(-c3cc(N4CCC[C@H](C)C4)ncn3)cn2)c1 ZINC000065239934 569203705 /nfs/dbraw/zinc/20/37/05/569203705.db2.gz NFKXVWLPAFGBNF-INIZCTEOSA-N 0 0 406.490 2.837 50 0 HFAARN CC1CCN(c2cc(-n3cnc(C(=O)NCc4ccc5c(c4)OCO5)c3)ncn2)CC1 ZINC000065239886 569203710 /nfs/dbraw/zinc/20/37/10/569203710.db2.gz XOQNAQQNLUGGCB-UHFFFAOYSA-N 0 0 420.473 2.557 50 0 HFAARN CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C(=O)OCC)C3)C2)ncn1 ZINC000065245134 569204937 /nfs/dbraw/zinc/20/49/37/569204937.db2.gz XRKHARUZMJQQAQ-MSOLQXFVSA-N 0 0 417.554 2.707 50 0 HFAARN CCNC(=O)Nc1ccc(OCC(=O)N2CCN(c3ccccc3Cl)CC2)nc1 ZINC000065245799 569205437 /nfs/dbraw/zinc/20/54/37/569205437.db2.gz PBZVFXSWJOZWNV-UHFFFAOYSA-N 0 0 417.897 2.604 50 0 HFAARN Cc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)o1 ZINC000065246186 569205533 /nfs/dbraw/zinc/20/55/33/569205533.db2.gz CHBITXSHBXXHQF-UHFFFAOYSA-N 0 0 402.476 2.766 50 0 HFAARN COc1ccccc1CNC(=O)c1cnn(-c2ccc(-c3nc(C)no3)cn2)c1C ZINC000065251381 569206641 /nfs/dbraw/zinc/20/66/41/569206641.db2.gz CDJPVPHQSXIULB-UHFFFAOYSA-N 0 0 404.430 2.873 50 0 HFAARN O=S(=O)(c1cnn(C(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000036615196 569206936 /nfs/dbraw/zinc/20/69/36/569206936.db2.gz VUMVJHWOUXUMJT-UHFFFAOYSA-N 0 0 410.368 2.808 50 0 HFAARN COc1ccc(-c2cc(C(=O)NCCn3nc(C)cc3C)c3cnn(C)c3n2)cc1 ZINC000036616501 569207485 /nfs/dbraw/zinc/20/74/85/569207485.db2.gz USJIJHXAILADJA-UHFFFAOYSA-N 0 0 404.474 2.887 50 0 HFAARN COc1ccc(-c2nc3c(c(=O)[nH]2)CCN(C(=O)COc2ccccc2C)C3)cc1 ZINC000065260312 569209637 /nfs/dbraw/zinc/20/96/37/569209637.db2.gz WEKMAKCJILPARM-UHFFFAOYSA-N 0 0 405.454 2.718 50 0 HFAARN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c12 ZINC000036619337 569210609 /nfs/dbraw/zinc/21/06/09/569210609.db2.gz RLMMLEAJBYDEPR-NSHDSACASA-N 0 0 413.869 2.848 50 0 HFAARN O=C(CCn1c2nn(C3CCCC3)cc2c(C(F)(F)F)cc1=O)N1CCOCC1 ZINC000036621597 569212001 /nfs/dbraw/zinc/21/20/01/569212001.db2.gz SPVQETIWEZOLKB-UHFFFAOYSA-N 0 0 412.412 2.581 50 0 HFAARN COc1cc([C@@H](CC(=O)NCc2cccnc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731275 569212329 /nfs/dbraw/zinc/21/23/29/569212329.db2.gz QYXCWTZCUKHUFY-MRXNPFEDSA-N 0 0 410.426 2.601 50 0 biogenic HFAARN COCCn1c(C)cc(C)c(C(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1=O ZINC000524733360 569213002 /nfs/dbraw/zinc/21/30/02/569213002.db2.gz KPFSNYXEBJRDIH-QGZVFWFLSA-N 0 0 400.475 2.546 50 0 HFAARN CCn1c2cc(C(=O)N3CCN(c4ccccc4C)CC3)ccc2n2nccc2c1=O ZINC000065270814 569213495 /nfs/dbraw/zinc/21/34/95/569213495.db2.gz LLAQRZSEXAUXOY-UHFFFAOYSA-N 0 0 415.497 2.940 50 0 HFAARN Cn1cccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524733699 569213865 /nfs/dbraw/zinc/21/38/65/569213865.db2.gz HBXCNKVQXAKKAD-JOCHJYFZSA-N 0 0 414.465 2.846 50 0 HFAARN COc1ccc([C@H]2CCCN2C(=O)CCn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1 ZINC000524735332 569214192 /nfs/dbraw/zinc/21/41/92/569214192.db2.gz SUFIHRJUOISGIW-LJQANCHMSA-N 0 0 423.469 2.873 50 0 HFAARN Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c[nH]1 ZINC000524735611 569214312 /nfs/dbraw/zinc/21/43/12/569214312.db2.gz NGRWEJBUDYVLAK-UHFFFAOYSA-N 0 0 416.275 2.891 50 0 HFAARN C=C1C(N2CCC(NC(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271860 569215397 /nfs/dbraw/zinc/21/53/97/569215397.db2.gz YRDDMMCVXDCIRX-UHFFFAOYSA-N 0 0 418.563 2.969 50 0 HFAARN C=C1C(N2CCC(NC(=O)NC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271866 569215485 /nfs/dbraw/zinc/21/54/85/569215485.db2.gz ZEKGLNHHVJHYKJ-UHFFFAOYSA-N 0 0 418.563 2.948 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 ZINC000036650479 569216534 /nfs/dbraw/zinc/21/65/34/569216534.db2.gz WDRIGWQUACDYGT-FOIQADDNSA-N 0 0 418.515 2.562 50 0 HFAARN Cc1nn(C)c(C)c1CNC(=O)c1nc2csc(C)c2c(N2CCSCC2)n1 ZINC000065283425 569216560 /nfs/dbraw/zinc/21/65/60/569216560.db2.gz LPFSXWIMQWSLPD-UHFFFAOYSA-N 0 0 416.576 2.833 50 0 HFAARN Cc1oc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)nc1C(=O)N1CCCC1 ZINC000065293702 569218364 /nfs/dbraw/zinc/21/83/64/569218364.db2.gz UYURIBLSHMNTLT-UHFFFAOYSA-N 0 0 405.520 2.896 50 0 HFAARN O=C(NC1CCCCC1)N1CCCN([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293331 569218436 /nfs/dbraw/zinc/21/84/36/569218436.db2.gz MPLWRCXYMDRQDP-NRFANRHFSA-N 0 0 416.541 2.977 50 0 HFAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NC[C@H]4CCCO4)nc32)cc1 ZINC000065293928 569218503 /nfs/dbraw/zinc/21/85/03/569218503.db2.gz JGOOJSCRWABULJ-MRXNPFEDSA-N 0 0 415.519 2.530 50 0 HFAARN Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2N2CCCCC2)cc1 ZINC000007104708 569219738 /nfs/dbraw/zinc/21/97/38/569219738.db2.gz XXQZPMORTYILHJ-SFHVURJKSA-N 0 0 415.563 2.953 50 0 HFAARN 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Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1 ZINC000006210208 569279587 /nfs/dbraw/zinc/27/95/87/569279587.db2.gz YCSMPDAXQSKDJJ-UHFFFAOYSA-N 0 0 411.483 2.886 50 0 HFAARN Cc1cc(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)c(C)n1CC(F)(F)F ZINC000007581346 569281975 /nfs/dbraw/zinc/28/19/75/569281975.db2.gz IZBZSSZEHSMTDF-UHFFFAOYSA-N 0 0 412.364 2.571 50 0 HFAARN COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000949956 569282354 /nfs/dbraw/zinc/28/23/54/569282354.db2.gz FOFMJTHCPIVKHQ-UHFFFAOYSA-N 0 0 401.513 2.912 50 0 HFAARN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000252458383 569286570 /nfs/dbraw/zinc/28/65/70/569286570.db2.gz DTPKIXMMRHOYNT-HUUCEWRRSA-N 0 0 402.436 2.835 50 0 HFAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002139766 569287690 /nfs/dbraw/zinc/28/76/90/569287690.db2.gz UKLJMWQYMGBXRD-GVDBMIGSSA-N 0 0 403.523 2.733 50 0 biogenic HFAARN CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)Cc4ccccc4)CC3)sc2c1 ZINC000007599563 569288250 /nfs/dbraw/zinc/28/82/50/569288250.db2.gz SIKSYGFSDKMHIJ-UHFFFAOYSA-N 0 0 415.540 2.591 50 0 HFAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)C2=O)cc1 ZINC000252478924 569288875 /nfs/dbraw/zinc/28/88/75/569288875.db2.gz AXJMSSUUSSSWEE-SCLBCKFNSA-N 0 0 421.457 2.858 50 0 HFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000252522863 569292525 /nfs/dbraw/zinc/29/25/25/569292525.db2.gz BICHRCLCXAJEDH-WOJBJXKFSA-N 0 0 407.470 2.692 50 0 HFAARN O=C(C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccccc1 ZINC000252527802 569292645 /nfs/dbraw/zinc/29/26/45/569292645.db2.gz DJRHECDNNQJJDK-HXUWFJFHSA-N 0 0 404.470 2.584 50 0 HFAARN COc1ccccc1CCN1C(=O)N[C@H](CC(=O)Nc2ccc3ccn(C)c3c2)C1=O ZINC000252572642 569294486 /nfs/dbraw/zinc/29/44/86/569294486.db2.gz ZQXZPRRNCZAZNW-GOSISDBHSA-N 0 0 420.469 2.883 50 0 HFAARN CC1(C)NC(=O)N(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1=O ZINC000007652792 569298892 /nfs/dbraw/zinc/29/88/92/569298892.db2.gz JSPOOJWDXPDATE-UHFFFAOYSA-N 0 0 408.174 2.737 50 0 HFAARN O=C(CCc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000007698966 569301139 /nfs/dbraw/zinc/30/11/39/569301139.db2.gz KMRSODZYBMQYHK-UHFFFAOYSA-N 0 0 408.907 2.932 50 0 HFAARN C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(Cl)cc1Cl ZINC000007705375 569301442 /nfs/dbraw/zinc/30/14/42/569301442.db2.gz HEZRKRZAYWPWRC-JTQLQIEISA-N 0 0 400.287 2.668 50 0 HFAARN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC000007709870 569301684 /nfs/dbraw/zinc/30/16/84/569301684.db2.gz QMPLAWDMAKUFJM-UHFFFAOYSA-N 0 0 418.924 2.790 50 0 HFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)n1C(C)C ZINC000007723164 569302707 /nfs/dbraw/zinc/30/27/07/569302707.db2.gz GRFFWNYWPNKXJV-UHFFFAOYSA-N 0 0 407.511 2.972 50 0 HFAARN CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000007728215 569303654 /nfs/dbraw/zinc/30/36/54/569303654.db2.gz RTDISRCCGPFCAN-UHFFFAOYSA-N 0 0 422.378 2.605 50 0 HFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC000007736360 569304950 /nfs/dbraw/zinc/30/49/50/569304950.db2.gz KWBZBYKYWQFIMF-HNNXBMFYSA-N 0 0 419.455 2.863 50 0 HFAARN COc1ccc(C(=O)[C@@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(OC)c1 ZINC000007738300 569305201 /nfs/dbraw/zinc/30/52/01/569305201.db2.gz VSVSBIODRWQPPI-CYBMUJFWSA-N 0 0 410.426 2.688 50 0 HFAARN CC(=O)N1CCN(C(=O)Cc2ccc(N(Cc3ccccc3)C(=O)C3CC3)cc2)CC1 ZINC000037557074 569306533 /nfs/dbraw/zinc/30/65/33/569306533.db2.gz RQJSIKWQAKSRNA-UHFFFAOYSA-N 0 0 419.525 2.863 50 0 HFAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000007782915 569310205 /nfs/dbraw/zinc/31/02/05/569310205.db2.gz GNCCPZGDYRYNLR-UHFFFAOYSA-N 0 0 413.455 2.969 50 0 HFAARN COc1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000007787686 569310617 /nfs/dbraw/zinc/31/06/17/569310617.db2.gz HMNRBNDPNPOLGU-MRXNPFEDSA-N 0 0 409.552 2.540 50 0 HFAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)n1 ZINC000007814922 569312836 /nfs/dbraw/zinc/31/28/36/569312836.db2.gz YXBBEXJINBYJHQ-OAHLLOKOSA-N 0 0 406.442 2.772 50 0 HFAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 ZINC000004128481 569321788 /nfs/dbraw/zinc/32/17/88/569321788.db2.gz WEIRFGIBVMAZJM-AVRDEDQJSA-N 0 0 403.523 2.614 50 0 HFAARN COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(Br)cc3)c2=O)c1 ZINC000002973283 569322584 /nfs/dbraw/zinc/32/25/84/569322584.db2.gz PNSRVHHJCOXYMH-UHFFFAOYSA-N 0 0 416.231 2.549 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F)C(=O)OC ZINC000043735316 569358243 /nfs/dbraw/zinc/35/82/43/569358243.db2.gz RAVLGLKZXXZFLT-SDDDUWNISA-N 0 0 406.433 2.933 50 0 HFAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccccc1)N1CCCN21 ZINC000136909737 569359318 /nfs/dbraw/zinc/35/93/18/569359318.db2.gz CQKSZOVZCBXIJV-OKZBNKHCSA-N 0 0 412.287 2.985 50 0 HFAARN O=S(=O)(Cc1cc(F)ccc1F)NC[C@H](c1ccoc1)N1CCSCC1 ZINC000253397628 569365412 /nfs/dbraw/zinc/36/54/12/569365412.db2.gz FVHRNMKJYZISEP-QGZVFWFLSA-N 0 0 402.488 2.767 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(O)cc1 ZINC000027530894 569366260 /nfs/dbraw/zinc/36/62/60/569366260.db2.gz LCMQLNGQZDQLMD-LVSKKATPSA-N 0 0 420.490 2.504 50 0 HFAARN Cc1nc2ccc(NC(=O)[C@H]3CCO[C@@H]3c3cnn(Cc4ccccc4)c3)cn2n1 ZINC000253417735 569367320 /nfs/dbraw/zinc/36/73/20/569367320.db2.gz HBUOUXYPUIFJOR-PZJWPPBQSA-N 0 0 402.458 2.999 50 0 HFAARN Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000253429570 569368496 /nfs/dbraw/zinc/36/84/96/569368496.db2.gz TTXMPCOYUDPFLC-DLBZAZTESA-N 0 0 411.506 2.905 50 0 HFAARN CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 ZINC000253429006 569368594 /nfs/dbraw/zinc/36/85/94/569368594.db2.gz MFKJBHDOMSMGDC-AWEZNQCLSA-N 0 0 421.924 2.565 50 0 HFAARN C[C@H](CC(=O)NC[C@H](C)CN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000253428377 569368602 /nfs/dbraw/zinc/36/86/02/569368602.db2.gz CWWVGQXXOAFQRQ-ZWKOTPCHSA-N 0 0 411.587 2.744 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)N1CCc2ccccc2C1 ZINC000055041914 569376218 /nfs/dbraw/zinc/37/62/18/569376218.db2.gz PBPUWLNWBFUDIB-FQEVSTJZSA-N 0 0 415.896 2.755 50 0 HFAARN COc1cccc(C(=O)[C@@H]2[C@@H]3C(=O)NC(=O)[C@H]3[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000253529930 569382637 /nfs/dbraw/zinc/38/26/37/569382637.db2.gz PZRIVGOCCJHOOU-MHTWAQMVSA-N 0 0 402.450 2.749 50 0 HFAARN COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1 ZINC000002357995 569385466 /nfs/dbraw/zinc/38/54/66/569385466.db2.gz WMNLUPKVQLPPAG-QNGOZBTKSA-N 0 0 419.481 2.817 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1nnc2ccc(OC)nn21 ZINC000252484618 569387573 /nfs/dbraw/zinc/38/75/73/569387573.db2.gz GARLLEHHPHEWOZ-QGZVFWFLSA-N 0 0 420.473 2.749 50 0 HFAARN CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O ZINC000002374545 569389328 /nfs/dbraw/zinc/38/93/28/569389328.db2.gz WVIRMOXIYDALIQ-WQRHYEAKSA-N 0 0 413.499 2.945 50 0 HFAARN O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCCO3)c(O)c1)c1cc(F)cc(F)c1 ZINC000055197057 569393365 /nfs/dbraw/zinc/39/33/65/569393365.db2.gz HQWDJZZNLLCVBW-UHFFFAOYSA-N 0 0 418.396 2.902 50 0 HFAARN COc1ccc2c(c1)CCc1c(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[nH]nc1-2 ZINC000225412307 569394992 /nfs/dbraw/zinc/39/49/92/569394992.db2.gz SNRYBEQUNMRPHT-ZBFHGGJFSA-N 0 0 416.481 2.605 50 0 biogenic HFAARN CC(C)OCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 ZINC000002431075 569399146 /nfs/dbraw/zinc/39/91/46/569399146.db2.gz OAQFKXVALMKYIQ-UHFFFAOYSA-N 0 0 403.508 2.735 50 0 HFAARN CC(=O)NCCc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1C ZINC000002438662 569400099 /nfs/dbraw/zinc/40/00/99/569400099.db2.gz FDFPEBBDTLLVFU-UHFFFAOYSA-N 0 0 400.866 2.923 50 0 HFAARN O=C(COc1ccccc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000012289148 569400211 /nfs/dbraw/zinc/40/02/11/569400211.db2.gz AKAACBPCLDABBQ-UHFFFAOYSA-N 0 0 400.500 2.876 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(CN3CCOCC3)cc2)nc1 ZINC000012851028 569404014 /nfs/dbraw/zinc/40/40/14/569404014.db2.gz CEZDECUQVHBQFF-UHFFFAOYSA-N 0 0 418.563 2.556 50 0 HFAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000012890712 569404583 /nfs/dbraw/zinc/40/45/83/569404583.db2.gz WPBZOXULLMVBCB-PTYCOGPLSA-N 0 0 418.449 2.719 50 0 biogenic HFAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H]4C=CS(=O)(=O)C4)c(C)c3cc2c1C ZINC000012897745 569404796 /nfs/dbraw/zinc/40/47/96/569404796.db2.gz DPQFJUQQLLRDSK-AWEZNQCLSA-N 0 0 415.467 2.824 50 0 biogenic HFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012996778 569406144 /nfs/dbraw/zinc/40/61/44/569406144.db2.gz ABSPXTBKECXIIZ-VZUCSPMQSA-N 0 0 409.442 2.874 50 0 HFAARN COc1cccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 ZINC000013008953 569406915 /nfs/dbraw/zinc/40/69/15/569406915.db2.gz CYDRGTUPBIACHF-UHFFFAOYSA-N 0 0 406.490 2.559 50 0 HFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000013038628 569407722 /nfs/dbraw/zinc/40/77/22/569407722.db2.gz QSEGBRKTUAQVFE-NQIIRXRSSA-N 0 0 421.607 2.640 50 0 HFAARN O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000013102490 569409157 /nfs/dbraw/zinc/40/91/57/569409157.db2.gz 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COc1ccc(OC)c(CNC(=O)CCC(=O)N2CCSc3ncccc32)c1 ZINC000021880272 558453744 /nfs/dbraw/zinc/45/37/44/558453744.db2.gz ASBUQXXKRKFVIE-UHFFFAOYSA-N 0 0 401.488 2.634 50 0 HFAARN CC1CCN(Cc2nnnn2CCCC(=O)NCCc2cccc(Cl)c2)CC1 ZINC000012714552 558454390 /nfs/dbraw/zinc/45/43/90/558454390.db2.gz XHBARSLCCCEWIS-UHFFFAOYSA-N 0 0 404.946 2.698 50 0 HFAARN C[C@H](C(=O)OCCCCN1C(=O)c2ccccc2C1=O)n1c2ccccc2oc1=O ZINC000021929168 558455951 /nfs/dbraw/zinc/45/59/51/558455951.db2.gz LRYZQKWIQLYVFU-CQSZACIVSA-N 0 0 408.410 2.775 50 0 HFAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc2ccccc2oc1=O ZINC000021972633 558456879 /nfs/dbraw/zinc/45/68/79/558456879.db2.gz ZLOQYLDHSDMWKG-UHFFFAOYSA-N 0 0 414.483 2.551 50 0 HFAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000012745188 558457892 /nfs/dbraw/zinc/45/78/92/558457892.db2.gz ZGQKLHDBKVNTBR-JOCHJYFZSA-N 0 0 401.482 2.906 50 0 HFAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000004362941 558460708 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Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000022315153 558477705 /nfs/dbraw/zinc/47/77/05/558477705.db2.gz UCJOFECSCBOIDJ-UHFFFAOYSA-N 0 0 414.531 2.921 50 0 HFAARN Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1Cc1c(Cl)cccc1Cl ZINC000004370666 558479880 /nfs/dbraw/zinc/47/98/80/558479880.db2.gz ZZLVCJKBIQKTMS-UHFFFAOYSA-N 0 0 406.273 2.658 50 0 HFAARN CC1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 ZINC000012909195 558484483 /nfs/dbraw/zinc/48/44/83/558484483.db2.gz WAGOCHRODXOAEF-UHFFFAOYSA-N 0 0 416.499 2.766 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000004393900 558486206 /nfs/dbraw/zinc/48/62/06/558486206.db2.gz MJAGUDYLDHGWJS-UHFFFAOYSA-N 0 0 418.471 2.851 50 0 HFAARN COc1ccc([C@H](CNC(=O)c2ccc(OC)cc2OC)N2CCOCC2)cc1 ZINC000022402900 558487696 /nfs/dbraw/zinc/48/76/96/558487696.db2.gz XHIGGOXARQPKNJ-FQEVSTJZSA-N 0 0 400.475 2.516 50 0 HFAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000012949115 558488039 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Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)c1C ZINC000096833031 558988555 /nfs/dbraw/zinc/98/85/55/558988555.db2.gz TVEVNYILXAMFNZ-IBGZPJMESA-N 0 0 400.567 2.697 50 0 HFAARN COc1ccc(NC(=O)[C@H](C)n2cnc3nc4c(cc3c2=O)CCCC4)cc1OC ZINC000033267613 558989544 /nfs/dbraw/zinc/98/95/44/558989544.db2.gz WUERKOZWCTVPLD-ZDUSSCGKSA-N 0 0 408.458 2.887 50 0 HFAARN COc1cccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1 ZINC000067629875 558990269 /nfs/dbraw/zinc/99/02/69/558990269.db2.gz RDBJPHUQAAATLE-UHFFFAOYSA-N 0 0 406.490 2.559 50 0 HFAARN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@H](c2cccnc2)[N@@H+]1C ZINC000067674758 558991277 /nfs/dbraw/zinc/99/12/77/558991277.db2.gz VENNJWKYLQUDDZ-MHRUYAEQSA-N 0 0 403.523 2.580 50 0 HFAARN Cc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 ZINC000033268454 558991730 /nfs/dbraw/zinc/99/17/30/558991730.db2.gz LOLBFRQYLZBQLF-UHFFFAOYSA-N 0 0 417.462 2.740 50 0 HFAARN CNC(=O)[C@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 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O=C(COc1coc(CN2CCSCC2)cc1=O)NCc1cccc(Cl)c1 ZINC000049549424 568451797 /nfs/dbraw/zinc/45/17/97/568451797.db2.gz PWFIFDZCFACVRU-UHFFFAOYSA-N 0 0 408.907 2.537 50 0 HFAARN O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC1Cc2ccccc2C1 ZINC000049549984 568451846 /nfs/dbraw/zinc/45/18/46/568451846.db2.gz YYWJTAUGSURUOK-UHFFFAOYSA-N 0 0 424.298 2.956 50 0 HFAARN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000049551615 568452057 /nfs/dbraw/zinc/45/20/57/568452057.db2.gz GJSJEZZGBJRXKA-VIFPVBQESA-N 0 0 424.379 2.714 50 0 HFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nnc(-c4ccccc4)s3)C2=O)cc1 ZINC000049580879 568452692 /nfs/dbraw/zinc/45/26/92/568452692.db2.gz CXZFIOGJKRXYTF-NRFANRHFSA-N 0 0 421.482 2.919 50 0 HFAARN Cc1cc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)no1 ZINC000012233245 568454422 /nfs/dbraw/zinc/45/44/22/568454422.db2.gz MQFVYQMOVJDPID-ZDUSSCGKSA-N 0 0 408.443 2.554 50 0 HFAARN Cc1ccc(NC(=O)c2cnc(SCC(=O)NCc3ccccc3)n(C)c2=O)cc1 ZINC000012236865 568455041 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/nfs/dbraw/zinc/47/64/96/568476496.db2.gz GIZWDDXXHPIVGE-UHFFFAOYSA-N 0 0 423.488 2.771 50 0 HFAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000000784630 568476863 /nfs/dbraw/zinc/47/68/63/568476863.db2.gz MNWWNXSXZGAROI-UHFFFAOYSA-N 0 0 404.488 2.743 50 0 HFAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000000791644 568480197 /nfs/dbraw/zinc/48/01/97/568480197.db2.gz YBUQYLLLNPYRFK-GOSISDBHSA-N 0 0 402.516 2.721 50 0 HFAARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000218498451 568481083 /nfs/dbraw/zinc/48/10/83/568481083.db2.gz RSCFZXWHPJDZQA-FPOVZHCZSA-N 0 0 420.513 2.897 50 0 HFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1c[nH]c2ccc(O)cc12 ZINC000604405920 568490822 /nfs/dbraw/zinc/49/08/22/568490822.db2.gz TUZIQRHXSISAHI-NYDSKATKSA-N 0 0 405.454 2.642 50 0 biogenic HFAARN O=C(NCc1ccc2c(c1)OCO2)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390828632 568492178 /nfs/dbraw/zinc/49/21/78/568492178.db2.gz BMJVAXHHVOVJAM-UHFFFAOYSA-N 0 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ZINC000000826187 568500176 /nfs/dbraw/zinc/50/01/76/568500176.db2.gz NSBFFQUZNVHCAL-UHFFFAOYSA-N 0 0 422.462 2.675 50 0 HFAARN CCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C ZINC000005776333 568504998 /nfs/dbraw/zinc/50/49/98/568504998.db2.gz FGGGWOJQLPAQEY-LLVKDONJSA-N 0 0 407.565 2.996 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)C3=COCCO3)cc2)c1 ZINC000032992734 568510660 /nfs/dbraw/zinc/51/06/60/568510660.db2.gz OPWMWJWCSPOPRP-UHFFFAOYSA-N 0 0 403.456 2.922 50 0 HFAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033005167 568510694 /nfs/dbraw/zinc/51/06/94/568510694.db2.gz KFRJIBZPTNOBRG-OAQYLSRUSA-N 0 0 424.497 2.931 50 0 HFAARN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 ZINC000033250843 568511926 /nfs/dbraw/zinc/51/19/26/568511926.db2.gz KNJFUBZYAGZKIW-QZEKMECESA-N 0 0 417.531 2.917 50 0 HFAARN O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000033269364 568512371 /nfs/dbraw/zinc/51/23/71/568512371.db2.gz SVYJFHVOEUBCRJ-UHFFFAOYSA-N 0 0 417.513 2.621 50 0 HFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)Nc3ccc(C)c(C)c3)c2)no1 ZINC000033276156 568512553 /nfs/dbraw/zinc/51/25/53/568512553.db2.gz LSYSBCXEPZHREP-UHFFFAOYSA-N 0 0 414.487 2.887 50 0 HFAARN O=C(CCn1c(=O)c2sccc2nc1N1CCCC1)NCc1ccc(F)cc1 ZINC000033308821 568514219 /nfs/dbraw/zinc/51/42/19/568514219.db2.gz FNARRUZDDKGIJC-UHFFFAOYSA-N 0 0 400.479 2.904 50 0 HFAARN CCc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000033614953 568516666 /nfs/dbraw/zinc/51/66/66/568516666.db2.gz JRDSSSDYNNKWAW-UHFFFAOYSA-N 0 0 416.499 2.829 50 0 HFAARN CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2n1C ZINC000223227884 568541598 /nfs/dbraw/zinc/54/15/98/568541598.db2.gz ZIKPDEOQSFVUQR-JOCHJYFZSA-N 0 0 407.518 2.912 50 0 HFAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC000390829935 568591964 /nfs/dbraw/zinc/59/19/64/568591964.db2.gz HPDSFLWBFZKXDP-LBPRGKRZSA-N 0 0 422.386 2.872 50 0 HFAARN O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390830420 568592085 /nfs/dbraw/zinc/59/20/85/568592085.db2.gz LAIZCVHBTYUWQI-PMACEKPBSA-N 0 0 403.475 2.655 50 0 HFAARN O=C(c1ccc(F)cc1Cl)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390830754 568592115 /nfs/dbraw/zinc/59/21/15/568592115.db2.gz NDGARQSELBJIAD-UHFFFAOYSA-N 0 0 402.813 2.767 50 0 HFAARN Cn1cc(CC(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)c2ccccc21 ZINC000390831898 568592455 /nfs/dbraw/zinc/59/24/55/568592455.db2.gz VVHJRQGVQFYAOX-UHFFFAOYSA-N 0 0 407.499 2.751 50 0 HFAARN O=C(Nc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000094992990 568593509 /nfs/dbraw/zinc/59/35/09/568593509.db2.gz LKGYDGUALAZZEB-UHFFFAOYSA-N 0 0 410.861 2.744 50 0 HFAARN CCn1cc([C@@H]2CC(c3cccc(O)c3)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000095101219 568596118 /nfs/dbraw/zinc/59/61/18/568596118.db2.gz MVPDKUXRDAEYFQ-FQEVSTJZSA-N 0 0 411.487 2.612 50 0 HFAARN CCN(Cc1cccc(OC)c1OC)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000095349412 568600473 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568693267 /nfs/dbraw/zinc/69/32/67/568693267.db2.gz CJCKHGATFDSVOG-IBGZPJMESA-N 0 0 401.426 2.886 50 0 biogenic HFAARN O=C(Nc1nccs1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000012389985 568693705 /nfs/dbraw/zinc/69/37/05/568693705.db2.gz XNPOADMXEPWXAQ-AWEZNQCLSA-N 0 0 416.478 2.512 50 0 HFAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)[C@@H]1CCCO1 ZINC000012391679 568696122 /nfs/dbraw/zinc/69/61/22/568696122.db2.gz GJZSBIGLZIYRKV-KRWDZBQOSA-N 0 0 406.504 2.702 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nc4ccccc4s3)C2=O)cc1 ZINC000096118132 568697833 /nfs/dbraw/zinc/69/78/33/568697833.db2.gz PJCHCSUNYLBQNZ-INIZCTEOSA-N 0 0 424.482 2.797 50 0 HFAARN COc1ccc(N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)nn1 ZINC000096118474 568698139 /nfs/dbraw/zinc/69/81/39/568698139.db2.gz LOFAPYUSSKSUHY-AEVNEEFTSA-N 0 0 421.545 2.559 50 0 HFAARN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4ncncc4C3)cc2)c1 ZINC000096122762 568700166 /nfs/dbraw/zinc/70/01/66/568700166.db2.gz NOEYMEURHPIBAB-UHFFFAOYSA-N 0 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ZINC000021530554 568710748 /nfs/dbraw/zinc/71/07/48/568710748.db2.gz RJGQOMZFQURHKO-IBGZPJMESA-N 0 0 412.486 2.944 50 0 HFAARN COc1ccc(-c2noc(CN3CCC(C(=O)Nc4cccnc4)CC3)n2)cc1OC ZINC000021531462 568711059 /nfs/dbraw/zinc/71/10/59/568711059.db2.gz AHCDSLULFFABCX-UHFFFAOYSA-N 0 0 423.473 3.000 50 0 HFAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000852106 568712645 /nfs/dbraw/zinc/71/26/45/568712645.db2.gz QWQPJHJQSPHOKJ-SFHVURJKSA-N 0 0 418.471 2.834 50 0 HFAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000852107 568712701 /nfs/dbraw/zinc/71/27/01/568712701.db2.gz QWQPJHJQSPHOKJ-GOSISDBHSA-N 0 0 418.471 2.834 50 0 HFAARN Cc1nc(Cc2ccccc2)sc1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000025006801 568712956 /nfs/dbraw/zinc/71/29/56/568712956.db2.gz NYUVMJNNWGIUSS-UHFFFAOYSA-N 0 0 421.482 2.580 50 0 HFAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1CCN(C)CC1 ZINC000230510252 568717353 /nfs/dbraw/zinc/71/73/53/568717353.db2.gz JOAZZZHFMDEEBU-JTQLQIEISA-N 0 0 406.118 2.753 50 0 HFAARN CCn1nc(C)c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)c1C ZINC000096286897 568719310 /nfs/dbraw/zinc/71/93/10/568719310.db2.gz RIAHUYTXKROBNQ-UHFFFAOYSA-N 0 0 410.971 2.988 50 0 HFAARN Cn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)c4cccs4)cc3)cc2c(=O)n1C ZINC000012427754 568721661 /nfs/dbraw/zinc/72/16/61/568721661.db2.gz ZZHCYLBQTZAWTE-UHFFFAOYSA-N 0 0 419.462 2.782 50 0 HFAARN COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1Cl ZINC000012440079 568723224 /nfs/dbraw/zinc/72/32/24/568723224.db2.gz DKNSXQKPNMLTQR-UHFFFAOYSA-N 0 0 418.862 2.927 50 0 HFAARN O=S(=O)(N[C@@H]1CCCN(c2cc(-c3ccncc3)[nH]n2)C1)c1cc(F)ccc1F ZINC000096309491 568723906 /nfs/dbraw/zinc/72/39/06/568723906.db2.gz XDPAZXBLTQMZCR-OAHLLOKOSA-N 0 0 419.457 2.697 50 0 HFAARN CCOc1ccc(NC(=O)CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1 ZINC000021629233 568724752 /nfs/dbraw/zinc/72/47/52/568724752.db2.gz UKJMCSVARQHSTD-UHFFFAOYSA-N 0 0 417.531 2.785 50 0 HFAARN Cc1ccc2nc(-c3ccccc3)c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2c1 ZINC000096315982 568725619 /nfs/dbraw/zinc/72/56/19/568725619.db2.gz JLMIFAMHUGESAG-FQEVSTJZSA-N 0 0 424.570 2.614 50 0 HFAARN Cc1cc(NC(=O)c2ccco2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444337 568725646 /nfs/dbraw/zinc/72/56/46/568725646.db2.gz KNUDDVONJVVCPQ-UHFFFAOYSA-N 0 0 419.376 2.587 50 0 HFAARN COCC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccc(OC)cc2)CC1 ZINC000096316874 568725885 /nfs/dbraw/zinc/72/58/85/568725885.db2.gz RHLQCWDWVCZZCJ-UHFFFAOYSA-N 0 0 410.518 2.557 50 0 HFAARN COCC(=O)N1CCN(c2nc(C3CC3)nc(COC)c2Cc2cccc(C)c2)CC1 ZINC000096316819 568726019 /nfs/dbraw/zinc/72/60/19/568726019.db2.gz WMWHVGPRFSKELX-UHFFFAOYSA-N 0 0 424.545 2.695 50 0 HFAARN COc1cccc(NC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000021640548 568727728 /nfs/dbraw/zinc/72/77/28/568727728.db2.gz ABPPCVCTHVSLCU-UHFFFAOYSA-N 0 0 421.432 2.989 50 0 HFAARN CCOc1ccccc1CNC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCC2)c1C ZINC000096320003 568728356 /nfs/dbraw/zinc/72/83/56/568728356.db2.gz OQKSALFQECGNGK-UHFFFAOYSA-N 0 0 405.520 2.745 50 0 HFAARN COc1ccc([C@@H]2NC3=NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 ZINC000239235385 568728386 /nfs/dbraw/zinc/72/83/86/568728386.db2.gz VWIWPYCZKOWENP-WIYYLYMNSA-N 0 0 418.501 2.767 50 0 HFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCc1ccccc1F ZINC000021649807 568728718 /nfs/dbraw/zinc/72/87/18/568728718.db2.gz NOYVKVVNFXTEAQ-UHFFFAOYSA-N 0 0 417.440 2.667 50 0 HFAARN CCc1ccccc1NC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1 ZINC000096321649 568729042 /nfs/dbraw/zinc/72/90/42/568729042.db2.gz ZABLDQLXPLYCGG-UHFFFAOYSA-N 0 0 406.490 2.728 50 0 HFAARN CC(C)OCCCNC(=O)CCc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000096322424 568730319 /nfs/dbraw/zinc/73/03/19/568730319.db2.gz PCXSWUBFKHSENM-UHFFFAOYSA-N 0 0 406.490 2.908 50 0 HFAARN C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)N(C)C(=O)OC(C)(C)C ZINC000241124394 568730705 /nfs/dbraw/zinc/73/07/05/568730705.db2.gz JHXXUKZCBOOOLP-XDNAFOTISA-N 0 0 417.554 2.986 50 0 HFAARN Cc1ccc(SCCN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1C ZINC000242273558 568732584 /nfs/dbraw/zinc/73/25/84/568732584.db2.gz YDVDTSWGXDPQDC-NRFANRHFSA-N 0 0 422.514 2.838 50 0 HFAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000005792134 568734026 /nfs/dbraw/zinc/73/40/26/568734026.db2.gz IQFYKNCBRLASSA-XMSQKQJNSA-N 0 0 413.424 2.926 50 0 HFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000005796654 568734244 /nfs/dbraw/zinc/73/42/44/568734244.db2.gz KHCGONIBKJSJRV-LBPRGKRZSA-N 0 0 412.450 2.657 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3n[nH]c4ccccc43)C1)CC2 ZINC000096343918 568737079 /nfs/dbraw/zinc/73/70/79/568737079.db2.gz QLZPPOYEKCSNCU-INIZCTEOSA-N 0 0 420.469 2.518 50 0 HFAARN CC(C)c1nc2ccccc2n1CCNC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000096345155 568737502 /nfs/dbraw/zinc/73/75/02/568737502.db2.gz JTFSCQDNCVDWKL-UHFFFAOYSA-N 0 0 407.518 2.802 50 0 HFAARN CCc1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000096355820 568738552 /nfs/dbraw/zinc/73/85/52/568738552.db2.gz NKMGZBNPFFNUJN-VQTJNVASSA-N 0 0 418.946 2.917 50 0 HFAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCOCC3)cc2o1 ZINC000025054916 568740144 /nfs/dbraw/zinc/74/01/44/568740144.db2.gz IICOAVQTWDDYOD-UHFFFAOYSA-N 0 0 409.851 2.824 50 0 HFAARN CC(=O)NCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3C)C2)n1 ZINC000096372820 568740171 /nfs/dbraw/zinc/74/01/71/568740171.db2.gz UHHIUHRZOVXOHW-INIZCTEOSA-N 0 0 407.561 2.964 50 0 HFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000000890163 568740788 /nfs/dbraw/zinc/74/07/88/568740788.db2.gz OCBOUSWEPXAXRT-IBGZPJMESA-N 0 0 402.516 2.726 50 0 HFAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc(Br)c3)C2)cc1 ZINC000096378067 568741044 /nfs/dbraw/zinc/74/10/44/568741044.db2.gz WYQXZTWKKJHUDX-UHFFFAOYSA-N 0 0 410.289 2.756 50 0 HFAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)cc1OC ZINC000096385431 568741812 /nfs/dbraw/zinc/74/18/12/568741812.db2.gz DDPMVPAYBDXXON-UHFFFAOYSA-N 0 0 418.453 2.521 50 0 HFAARN CC(C)N1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1 ZINC000096386402 568742871 /nfs/dbraw/zinc/74/28/71/568742871.db2.gz ZDISUPGOULIYKX-UHFFFAOYSA-N 0 0 417.554 2.775 50 0 HFAARN O=S(=O)(c1cccc2cccnc21)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000585149301 568742879 /nfs/dbraw/zinc/74/28/79/568742879.db2.gz HPHOATFHGAHWMT-UHFFFAOYSA-N 0 0 423.420 2.555 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCN2C(=O)COc3ccccc32)c1C ZINC000018963285 568744293 /nfs/dbraw/zinc/74/42/93/568744293.db2.gz UMDQSPXIXMKPPC-HNNXBMFYSA-N 0 0 412.442 2.764 50 0 HFAARN Cc1oc(C2CCN(C(=O)c3cc(F)ccc3F)CC2)nc1C(=O)N1CCOCC1 ZINC000096396986 568745632 /nfs/dbraw/zinc/74/56/32/568745632.db2.gz PPIRCGSIJLERJV-UHFFFAOYSA-N 0 0 419.428 2.753 50 0 HFAARN COC(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000096397930 568746513 /nfs/dbraw/zinc/74/65/13/568746513.db2.gz VDRMWZNYEGLVJV-UHFFFAOYSA-N 0 0 421.388 2.604 50 0 HFAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000000899734 568748958 /nfs/dbraw/zinc/74/89/58/568748958.db2.gz ZIAVGUXWXHOGNX-UHFFFAOYSA-N 0 0 410.495 2.995 50 0 HFAARN Cc1cccc(N2CCN(C(=O)c3nnn4c3c(=O)[nH]c3cc(C)ccc34)CC2)c1 ZINC000096400227 568749406 /nfs/dbraw/zinc/74/94/06/568749406.db2.gz LMUYAGZIDNHJAQ-UHFFFAOYSA-N 0 0 402.458 2.562 50 0 HFAARN COc1cc(-c2nnc(SCC(N)=O)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000000906855 568749743 /nfs/dbraw/zinc/74/97/43/568749743.db2.gz XPFAELTYYTZLNL-UHFFFAOYSA-N 0 0 414.487 2.846 50 0 HFAARN Cc1cccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)c1C ZINC000000916091 568750569 /nfs/dbraw/zinc/75/05/69/568750569.db2.gz DHNJBCUVZZWLFG-SFHVURJKSA-N 0 0 402.516 2.794 50 0 HFAARN O=C(NCCSc1ccccc1)c1nc(-n2cnnc2)ccc1Br ZINC000021721253 568750630 /nfs/dbraw/zinc/75/06/30/568750630.db2.gz KUWORCKGSVEYNE-UHFFFAOYSA-N 0 0 404.293 2.947 50 0 HFAARN O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1nncs1 ZINC000021721499 568750781 /nfs/dbraw/zinc/75/07/81/568750781.db2.gz UJJWYNCLCDPDLR-UHFFFAOYSA-N 0 0 415.460 2.835 50 0 HFAARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)C(C)=Nc2nnnn21 ZINC000000936941 568751446 /nfs/dbraw/zinc/75/14/46/568751446.db2.gz BMWXQPAQDIKWMX-CQSZACIVSA-N 0 0 408.256 2.685 50 0 HFAARN CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NC(c3cccs3)=NC2=N1 ZINC000000940750 568753051 /nfs/dbraw/zinc/75/30/51/568753051.db2.gz OIGMPWKYXAEGON-AWEZNQCLSA-N 0 0 416.304 2.948 50 0 HFAARN CCOc1ccc(NC(=O)Cn2c3nc(-c4cccs4)nn3c(=O)cc2C)cc1 ZINC000021803077 568754403 /nfs/dbraw/zinc/75/44/03/568754403.db2.gz PJLYSFLYSMUKSC-UHFFFAOYSA-N 0 0 409.471 2.965 50 0 HFAARN Cc1ccc(-c2[nH]c3c(c2[C@H]2c4ccccc4N(C)C2=O)c(=O)n(C)c(=O)n3C)cc1 ZINC000086076851 568755990 /nfs/dbraw/zinc/75/59/90/568755990.db2.gz DQMFXVINNZRPGV-QGZVFWFLSA-N 0 0 414.465 2.649 50 0 HFAARN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000086077230 568756115 /nfs/dbraw/zinc/75/61/15/568756115.db2.gz BNXUCRFHFZOGHD-OAHLLOKOSA-N 0 0 405.458 2.592 50 0 HFAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C)cc1 ZINC000021881980 568757366 /nfs/dbraw/zinc/75/73/66/568757366.db2.gz SSTZHIZIXYBGSJ-UHFFFAOYSA-N 0 0 419.532 2.636 50 0 HFAARN Cc1ccc(C(=O)n2c3ccc(S(=O)(=O)N4CCCCC4)cc3oc2=O)cc1 ZINC000000968772 568758694 /nfs/dbraw/zinc/75/86/94/568758694.db2.gz MGPMJFBGMYSROT-UHFFFAOYSA-N 0 0 400.456 2.766 50 0 HFAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C)cc2)cc1 ZINC000000970354 568759178 /nfs/dbraw/zinc/75/91/78/568759178.db2.gz TWJUKWHLZNUSNY-UHFFFAOYSA-N 0 0 415.453 2.660 50 0 biogenic HFAARN COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000000977790 568759716 /nfs/dbraw/zinc/75/97/16/568759716.db2.gz VRBRRXSJQJWIKX-UHFFFAOYSA-N 0 0 411.863 2.589 50 0 HFAARN C[C@H]1CC(=O)NN=C1c1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000096562136 568760226 /nfs/dbraw/zinc/76/02/26/568760226.db2.gz WDJSNSFHDDBPHB-INIZCTEOSA-N 0 0 408.477 2.577 50 0 HFAARN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1cccnc1 ZINC000000983633 568760548 /nfs/dbraw/zinc/76/05/48/568760548.db2.gz LDQPURBNRXHPMQ-UHFFFAOYSA-N 0 0 409.511 2.809 50 0 HFAARN Cc1cc(C)c(NC(=O)CN2CCN(Cc3ccccc3F)S2(=O)=O)c(C)c1 ZINC000021923713 568761046 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O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000001085861 568768074 /nfs/dbraw/zinc/76/80/74/568768074.db2.gz YPBUGXMASIPTGF-UHFFFAOYSA-N 0 0 407.308 2.606 50 0 HFAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccnc(N3CCOCC3)c2)cc1 ZINC000052517138 568768995 /nfs/dbraw/zinc/76/89/95/568768995.db2.gz PETRTDAUWCHPTA-HNNXBMFYSA-N 0 0 414.531 2.674 50 0 HFAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000097161523 568769218 /nfs/dbraw/zinc/76/92/18/568769218.db2.gz MOTXOOHGHXTKHK-UHFFFAOYSA-N 0 0 414.487 2.693 50 0 HFAARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 ZINC000025463045 568771972 /nfs/dbraw/zinc/77/19/72/568771972.db2.gz IEMLUPNKGNZMRQ-CJNGLKHVSA-N 0 0 424.400 2.929 50 0 HFAARN Cc1ccccc1-n1c(=O)[nH]nc1CC1CCN(C(=O)COc2ccccc2F)CC1 ZINC000225548524 568773312 /nfs/dbraw/zinc/77/33/12/568773312.db2.gz NIDYISRMZPCBAZ-UHFFFAOYSA-N 0 0 424.476 2.868 50 0 HFAARN O=C1CN(CCc2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000055408496 568774297 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Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)o2)cs1 ZINC000005833758 568825298 /nfs/dbraw/zinc/82/52/98/568825298.db2.gz BYGDEDZGXAXUEY-SECBINFHSA-N 0 0 403.489 2.644 50 0 HFAARN CC[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000005840734 568825466 /nfs/dbraw/zinc/82/54/66/568825466.db2.gz IPHUWOGMOAQEQH-UXLLHSPISA-N 0 0 403.523 2.815 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1c[nH]c2ccccc12 ZINC000057347808 568827330 /nfs/dbraw/zinc/82/73/30/568827330.db2.gz WTKYFVXUTIRCIE-MRXNPFEDSA-N 0 0 414.531 2.656 50 0 HFAARN CC(=O)NCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O ZINC000002971930 568831921 /nfs/dbraw/zinc/83/19/21/568831921.db2.gz GYBCUEXARMBZQC-UHFFFAOYSA-N 0 0 424.526 2.880 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000057406456 568832791 /nfs/dbraw/zinc/83/27/91/568832791.db2.gz MFQSGWMJCKZPGW-LJQANCHMSA-N 0 0 415.559 2.945 50 0 HFAARN Cc1c(NC(=O)[C@H](C)OC(=O)CCOc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000005987976 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HFAARN COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000003411982 568898350 /nfs/dbraw/zinc/89/83/50/568898350.db2.gz TUHRWBFMAGANCM-UHFFFAOYSA-N 0 0 408.204 2.982 50 0 HFAARN C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cccnc3Cl)c2C(N)=O)C1 ZINC000003416000 568899141 /nfs/dbraw/zinc/89/91/41/568899141.db2.gz CIHPZMPDDWUHDA-VIFPVBQESA-N 0 0 407.879 2.816 50 0 HFAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000003423750 568900263 /nfs/dbraw/zinc/90/02/63/568900263.db2.gz ASSPSZJNFSKGPA-UHFFFAOYSA-N 0 0 404.557 2.929 50 0 HFAARN O=C(COC(=O)c1ccccc1OC(F)F)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003432274 568901996 /nfs/dbraw/zinc/90/19/96/568901996.db2.gz MQSIZTUQBCNELL-UHFFFAOYSA-N 0 0 422.340 2.564 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003444974 568904543 /nfs/dbraw/zinc/90/45/43/568904543.db2.gz QCANMFJYIWQMDP-HXUWFJFHSA-N 0 0 415.515 2.507 50 0 HFAARN CC[C@H](C)N(C(=O)COC(=O)Cc1coc2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000003449052 568905150 /nfs/dbraw/zinc/90/51/50/568905150.db2.gz ASPGUEIVBOYEIH-RDJZCZTQSA-N 0 0 421.515 2.641 50 0 HFAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)NC1CC1)n(-c1ccccc1)c2=O ZINC000003454709 568906063 /nfs/dbraw/zinc/90/60/63/568906063.db2.gz LBZWIPFYDHONBB-UHFFFAOYSA-N 0 0 409.467 2.543 50 0 HFAARN Cc1c(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000003455914 568906283 /nfs/dbraw/zinc/90/62/83/568906283.db2.gz NNLVPGMWKLFZSB-INIZCTEOSA-N 0 0 410.499 2.789 50 0 aggregator HFAARN O=C(c1cccc(OC(F)F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000003459653 568906845 /nfs/dbraw/zinc/90/68/45/568906845.db2.gz IHATXGOFKQRSLC-UHFFFAOYSA-N 0 0 414.405 2.574 50 0 HFAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000003464332 568907171 /nfs/dbraw/zinc/90/71/71/568907171.db2.gz YJSQQQPPFGAWJM-FQEVSTJZSA-N 0 0 415.833 2.865 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccccc3)cc2)NC(=O)N[C@@H]1C ZINC000012689893 568908081 /nfs/dbraw/zinc/90/80/81/568908081.db2.gz CQJOMUWYVIZRCZ-OAHLLOKOSA-N 0 0 424.453 2.941 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1S(=O)(=O)N(C)C ZINC000012688673 568908166 /nfs/dbraw/zinc/90/81/66/568908166.db2.gz XHYVPUZXUJHVMR-ZDUSSCGKSA-N 0 0 424.906 2.789 50 0 HFAARN Cc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003487341 568909056 /nfs/dbraw/zinc/90/90/56/568909056.db2.gz FATKPXMUUXMQAB-UHFFFAOYSA-N 0 0 416.499 2.965 50 0 HFAARN COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000003490556 568909152 /nfs/dbraw/zinc/90/91/52/568909152.db2.gz DRRXXTOIQKGTTF-UHFFFAOYSA-N 0 0 403.891 2.894 50 0 HFAARN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000001263955 568909343 /nfs/dbraw/zinc/90/93/43/568909343.db2.gz NRKHVEGLSXQNOS-STQMWFEESA-N 0 0 401.898 2.607 50 0 HFAARN CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000058297864 568909360 /nfs/dbraw/zinc/90/93/60/568909360.db2.gz OAXGHACUCRQJPB-UHFFFAOYSA-N 0 0 414.530 2.665 50 0 HFAARN CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003496877 568909882 /nfs/dbraw/zinc/90/98/82/568909882.db2.gz CJLKFHIYVICXQO-GFCCVEGCSA-N 0 0 413.459 2.909 50 0 HFAARN O=C(NC1(C(=O)NC2CCN(c3ncccn3)CC2)CCCC1)OCc1ccccc1 ZINC000058317039 568911172 /nfs/dbraw/zinc/91/11/72/568911172.db2.gz QSUDNLKLPNDWDS-UHFFFAOYSA-N 0 0 423.517 2.801 50 0 HFAARN Cc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O ZINC000263617079 568911260 /nfs/dbraw/zinc/91/12/60/568911260.db2.gz LYZMWGXXQMIFBA-UHFFFAOYSA-N 0 0 406.417 2.742 50 0 HFAARN Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 ZINC000263617755 568911581 /nfs/dbraw/zinc/91/15/81/568911581.db2.gz PLXGZACHBUMZOJ-OAQYLSRUSA-N 0 0 422.529 2.841 50 0 HFAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(OC)cc4OC)c3CO2)cc1 ZINC000263617928 568911618 /nfs/dbraw/zinc/91/16/18/568911618.db2.gz QLRWXICCZRKCJX-LJQANCHMSA-N 0 0 410.430 2.828 50 0 HFAARN CC(=O)Nc1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1 ZINC000263618545 568911780 /nfs/dbraw/zinc/91/17/80/568911780.db2.gz UHBQWSTYQNXRNT-UHFFFAOYSA-N 0 0 418.501 2.529 50 0 HFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cc(F)ccc4F)c3CO2)cc1 ZINC000263619103 568912218 /nfs/dbraw/zinc/91/22/18/568912218.db2.gz WYHRGGLBQSZPGS-SFHVURJKSA-N 0 0 400.385 2.766 50 0 HFAARN COC(=O)c1cccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)c1 ZINC000263619378 568912393 /nfs/dbraw/zinc/91/23/93/568912393.db2.gz YMCSTPRINMOEJG-UHFFFAOYSA-N 0 0 403.438 2.799 50 0 HFAARN CC(C)NC(=O)Cc1ccc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000025729209 568913204 /nfs/dbraw/zinc/91/32/04/568913204.db2.gz YMJYTJBYRNHURV-UHFFFAOYSA-N 0 0 408.502 2.697 50 0 HFAARN Cc1cc(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc32)c(C)n1C[C@H]1CCCO1 ZINC000003543058 568913975 /nfs/dbraw/zinc/91/39/75/568913975.db2.gz NMAIVNZTUNJIEM-MRXNPFEDSA-N 0 0 423.469 2.571 50 0 HFAARN COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(F)cc1 ZINC000003547150 568914377 /nfs/dbraw/zinc/91/43/77/568914377.db2.gz JBDWLSZRGIJEIG-UHFFFAOYSA-N 0 0 419.434 2.965 50 0 HFAARN O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CC=C(c2ccccc2)CC1 ZINC000031111004 568914402 /nfs/dbraw/zinc/91/44/02/568914402.db2.gz ASDHNAJOVRUNKJ-UHFFFAOYSA-N 0 0 418.540 2.699 50 0 HFAARN CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)OCC(F)(F)F)o1 ZINC000004127374 568915257 /nfs/dbraw/zinc/91/52/57/568915257.db2.gz OKXHJRKDYZGAEA-CHWSQXEVSA-N 0 0 405.369 2.984 50 0 HFAARN CCOC(=O)c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)o1 ZINC000004127373 568915368 /nfs/dbraw/zinc/91/53/68/568915368.db2.gz OKXHJRKDYZGAEA-STQMWFEESA-N 0 0 405.369 2.984 50 0 HFAARN CNC(=O)NC(=O)[C@@H](OC(=O)c1c(C)c(C)sc1NC(C)=O)c1ccccc1 ZINC000003558104 568915498 /nfs/dbraw/zinc/91/54/98/568915498.db2.gz FEXJRCXAOAEHFW-HNNXBMFYSA-N 0 0 403.460 2.677 50 0 HFAARN CCOC(=O)c1sc(NC(=O)CSc2ncccn2)c(C(=O)OCC)c1C ZINC000003563442 568915981 /nfs/dbraw/zinc/91/59/81/568915981.db2.gz IIALOVWQDLABHY-UHFFFAOYSA-N 0 0 409.489 2.931 50 0 HFAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012719491 568918243 /nfs/dbraw/zinc/91/82/43/568918243.db2.gz IASUGNXVJXNMJD-UHFFFAOYSA-N 0 0 424.284 2.907 50 0 HFAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)N1CCCCCC1 ZINC000004166415 568919070 /nfs/dbraw/zinc/91/90/70/568919070.db2.gz DWFXJPVSNPWTRB-UHFFFAOYSA-N 0 0 400.483 2.903 50 0 HFAARN COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000003657276 568923108 /nfs/dbraw/zinc/92/31/08/568923108.db2.gz GJFSJZHUXOAGGT-NHCUHLMSSA-N 0 0 414.477 2.906 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(c3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000012736823 568925661 /nfs/dbraw/zinc/92/56/61/568925661.db2.gz XHELVJAPTMMDRW-UHFFFAOYSA-N 0 0 416.528 2.725 50 0 HFAARN CSc1ccccc1NC(=O)CN(C)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000031551857 568927862 /nfs/dbraw/zinc/92/78/62/568927862.db2.gz TZMYLCUNKSETEN-UHFFFAOYSA-N 0 0 412.515 2.549 50 0 HFAARN COC(=O)Cc1c(C(=O)OC)sc(NC(=O)c2cccc(C)c2)c1C(=O)OC ZINC000001405984 568928054 /nfs/dbraw/zinc/92/80/54/568928054.db2.gz KNTVQRPOKJYYIQ-UHFFFAOYSA-N 0 0 405.428 2.598 50 0 HFAARN COc1ccc(C[C@H](CO)CNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1O ZINC000083967298 568928890 /nfs/dbraw/zinc/92/88/90/568928890.db2.gz GTZGPWVDMCNQEU-OCCSQVGLSA-N 0 0 411.857 2.928 50 0 HFAARN CC(C)CCN1C(=O)c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2C1=O ZINC000012744801 568930285 /nfs/dbraw/zinc/93/02/85/568930285.db2.gz SQWJRINFLMDJOG-MRXNPFEDSA-N 0 0 408.454 2.899 50 0 HFAARN COc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1OC ZINC000031754305 568930294 /nfs/dbraw/zinc/93/02/94/568930294.db2.gz MKQHVMCLGOYIIB-UHFFFAOYSA-N 0 0 422.528 2.858 50 0 HFAARN COc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(OC)c1 ZINC000031754405 568930325 /nfs/dbraw/zinc/93/03/25/568930325.db2.gz LWXCJUNAOASRDH-UHFFFAOYSA-N 0 0 422.528 2.858 50 0 HFAARN Cc1cccn2c(=O)cc(CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)nc12 ZINC000031767266 568930723 /nfs/dbraw/zinc/93/07/23/568930723.db2.gz BUXRBKGENFQXFL-QFIPXVFZSA-N 0 0 402.410 2.716 50 0 HFAARN CCc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773695 568930846 /nfs/dbraw/zinc/93/08/46/568930846.db2.gz JITGHOOKFAZFIT-FCHUYYIVSA-N 0 0 412.555 2.696 50 0 HFAARN COc1cccc(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000046140476 568931222 /nfs/dbraw/zinc/93/12/22/568931222.db2.gz OCFLWSUAOMUGTO-AWEZNQCLSA-N 0 0 405.472 2.799 50 0 HFAARN O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Br)cc1 ZINC000004003617 568932860 /nfs/dbraw/zinc/93/28/60/568932860.db2.gz QKKXOCZSLDBSBG-UHFFFAOYSA-N 0 0 416.231 2.803 50 0 HFAARN Cc1ccc2c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)coc2c1 ZINC000012750063 568937933 /nfs/dbraw/zinc/93/79/33/568937933.db2.gz PJYCTNVGAJDNKO-JOCHJYFZSA-N 0 0 420.465 2.795 50 0 HFAARN CCCCOCCCN1CC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000004073425 568937979 /nfs/dbraw/zinc/93/79/79/568937979.db2.gz BNUNRLSLEHUGIH-QHCPKHFHSA-N 0 0 413.518 2.825 50 0 biogenic HFAARN COc1ccc(CNC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1 ZINC000004073915 568938070 /nfs/dbraw/zinc/93/80/70/568938070.db2.gz SZDDDVAILFBKIK-YCRPNKLZSA-N 0 0 414.483 2.599 50 0 biogenic HFAARN Cc1nc(NC(=O)CCn2nc(C)c(Br)c2C)sc1C(=O)N(C)C ZINC000002782207 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ZINC000035325857 569032737 /nfs/dbraw/zinc/03/27/37/569032737.db2.gz RXDUILAEIIIVQK-UHFFFAOYSA-N 0 0 409.417 2.851 50 0 HFAARN COc1cccc2cc(C(=O)NCCN3c4cc(F)ccc4N(C)S3(=O)=O)oc21 ZINC000575613952 569032747 /nfs/dbraw/zinc/03/27/47/569032747.db2.gz YSSOSKOOPOOHSR-UHFFFAOYSA-N 0 0 419.434 2.512 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000035336584 569033139 /nfs/dbraw/zinc/03/31/39/569033139.db2.gz IIGWCBHLUMZOKX-YADARESESA-N 0 0 410.514 2.947 50 0 HFAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000035336581 569033165 /nfs/dbraw/zinc/03/31/65/569033165.db2.gz IIGWCBHLUMZOKX-CYFREDJKSA-N 0 0 410.514 2.947 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035349311 569033483 /nfs/dbraw/zinc/03/34/83/569033483.db2.gz RVKGMCXDGHVMIK-IBZMOEQTSA-N 0 0 409.486 2.599 50 0 HFAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000006236320 569033989 /nfs/dbraw/zinc/03/39/89/569033989.db2.gz 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ZINC000035425153 569036482 /nfs/dbraw/zinc/03/64/82/569036482.db2.gz CVKKLNBHWYQEEG-UHFFFAOYSA-N 0 0 415.409 2.746 50 0 HFAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4F)CC3)NC2=O)cc1C ZINC000035430723 569036758 /nfs/dbraw/zinc/03/67/58/569036758.db2.gz IKBNDUKFBSSFEH-UHFFFAOYSA-N 0 0 408.477 2.792 50 0 biogenic HFAARN O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616318 569036911 /nfs/dbraw/zinc/03/69/11/569036911.db2.gz ITTPWIIADJDAAP-HXUWFJFHSA-N 0 0 418.497 2.710 50 0 HFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1ccccc1 ZINC000035432515 569036956 /nfs/dbraw/zinc/03/69/56/569036956.db2.gz FQJAWHBWXZYMPG-UHFFFAOYSA-N 0 0 421.881 2.579 50 0 HFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N=C1c1cccc(Cl)c1 ZINC000035432632 569037013 /nfs/dbraw/zinc/03/70/13/569037013.db2.gz PLUSFXGKUWIJQI-UHFFFAOYSA-N 0 0 421.881 2.579 50 0 HFAARN COc1cc(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc(OC)c1 ZINC000035432282 569037067 /nfs/dbraw/zinc/03/70/67/569037067.db2.gz HHWNAPGNPPGTNO-UHFFFAOYSA-N 0 0 422.485 2.955 50 0 HFAARN Cn1cc(-c2ccc(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cn2)cn1 ZINC000575617202 569037247 /nfs/dbraw/zinc/03/72/47/569037247.db2.gz UFJXHXRGWJLGJS-UHFFFAOYSA-N 0 0 412.393 2.859 50 0 HFAARN COc1cccc(-c2cc3n(n2)c(=O)c(CCC(=O)NCc2ccco2)c(C)n3C)c1 ZINC000035448506 569037451 /nfs/dbraw/zinc/03/74/51/569037451.db2.gz BQTICGJEFLREGI-UHFFFAOYSA-N 0 0 420.469 2.859 50 0 HFAARN O=C(Cn1c2cccnc2n(Cc2ccccc2)c(=O)c1=O)NCCC1=CCCCC1 ZINC000035450092 569037615 /nfs/dbraw/zinc/03/76/15/569037615.db2.gz QUBHKDGCLQCLPB-UHFFFAOYSA-N 0 0 418.497 2.613 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1 ZINC000035456148 569037982 /nfs/dbraw/zinc/03/79/82/569037982.db2.gz DEBQOFFHAJSSEL-UHFFFAOYSA-N 0 0 416.525 2.735 50 0 HFAARN COc1cc(OC)cc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)c1 ZINC000035478803 569038567 /nfs/dbraw/zinc/03/85/67/569038567.db2.gz LUZALSIGVDMFLD-UHFFFAOYSA-N 0 0 403.442 2.941 50 0 HFAARN O=C(c1cc(-c2ccc(F)cc2F)n[nH]1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575621421 569039006 /nfs/dbraw/zinc/03/90/06/569039006.db2.gz WWFAWSHHQTXICY-UHFFFAOYSA-N 0 0 410.428 2.596 50 0 HFAARN O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000169352525 569039106 /nfs/dbraw/zinc/03/91/06/569039106.db2.gz HUZHMAUCVLUFKA-GXTWGEPZSA-N 0 0 421.346 2.689 50 0 HFAARN CCCCNC(=O)c1sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000006656367 569039254 /nfs/dbraw/zinc/03/92/54/569039254.db2.gz BBIJHNRDANEVSZ-OKILXGFUSA-N 0 0 418.563 2.801 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccc(OC)cc1 ZINC000035485145 569039691 /nfs/dbraw/zinc/03/96/91/569039691.db2.gz DOMWJOMKBNBKDW-SSKFGXFMSA-N 0 0 409.530 2.557 50 0 biogenic HFAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000102438489 569039700 /nfs/dbraw/zinc/03/97/00/569039700.db2.gz QOORXRKYAFUBDO-ROUUACIJSA-N 0 0 417.465 2.506 50 0 HFAARN COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035485152 569039723 /nfs/dbraw/zinc/03/97/23/569039723.db2.gz ZDCGAEULNLJTAZ-SFTDATJTSA-N 0 0 409.530 2.557 50 0 biogenic HFAARN C[C@H](CNC(=O)[C@@H]1CC=CCC1)OC(=O)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000222046729 569039777 /nfs/dbraw/zinc/03/97/77/569039777.db2.gz GFFWMLZXYHOBCH-GUDVDZBRSA-N 0 0 402.535 2.986 50 0 HFAARN NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000035489014 569039838 /nfs/dbraw/zinc/03/98/38/569039838.db2.gz QQPLXBQYXLKDJB-HNNXBMFYSA-N 0 0 406.467 2.657 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(=O)[nH]c2ccccc21 ZINC000006315960 569040245 /nfs/dbraw/zinc/04/02/45/569040245.db2.gz JUIBSBWHUCJARQ-UHFFFAOYSA-N 0 0 411.483 2.955 50 0 HFAARN Cn1c(=O)n(CCNC(=O)C(c2ccccc2)c2ccccc2)nc1C(F)(F)F ZINC000090590858 569041396 /nfs/dbraw/zinc/04/13/96/569041396.db2.gz XGRKQDZAKLWJIZ-UHFFFAOYSA-N 0 0 404.392 2.549 50 0 HFAARN Cn1nc(N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)ccc1=O ZINC000090592500 569041504 /nfs/dbraw/zinc/04/15/04/569041504.db2.gz ZBDZHLKHEBYXFN-UHFFFAOYSA-N 0 0 409.259 2.537 50 0 HFAARN O=C(c1cc(OCc2ccccc2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000090610027 569042522 /nfs/dbraw/zinc/04/25/22/569042522.db2.gz IDXSCCNXFRDDDC-UHFFFAOYSA-N 0 0 421.453 2.940 50 0 HFAARN O=S(=O)(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Br)s1 ZINC000090611564 569042769 /nfs/dbraw/zinc/04/27/69/569042769.db2.gz KUBYYEUTWLYXDF-HNNXBMFYSA-N 0 0 402.335 2.709 50 0 HFAARN O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000090612637 569042879 /nfs/dbraw/zinc/04/28/79/569042879.db2.gz OJCJMHDJQVMFDW-CQSZACIVSA-N 0 0 403.378 2.836 50 0 HFAARN C[C@@H](C(=O)Nc1ccccc1-c1ccc(=O)[nH]n1)n1nc(-c2cccs2)ccc1=O ZINC000090613999 569042924 /nfs/dbraw/zinc/04/29/24/569042924.db2.gz WYTJPDBESPBSOS-ZDUSSCGKSA-N 0 0 419.466 2.922 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000035512830 569043177 /nfs/dbraw/zinc/04/31/77/569043177.db2.gz HHRLCLUSVSKQCD-UHFFFAOYSA-N 0 0 413.499 2.760 50 0 HFAARN CCc1ccccc1NC(=O)CN1C(=O)C(C)=C(c2ccc(OC)cc2)S1(=O)=O ZINC000035534604 569043401 /nfs/dbraw/zinc/04/34/01/569043401.db2.gz VTNJVQSPRQQQMM-UHFFFAOYSA-N 0 0 414.483 2.799 50 0 HFAARN O=C(COc1cccc2cccnc21)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000006344203 569043782 /nfs/dbraw/zinc/04/37/82/569043782.db2.gz QMQZJYLIQNMILW-IBGZPJMESA-N 0 0 410.495 2.830 50 0 HFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1cccc(F)c1 ZINC000035558886 569044837 /nfs/dbraw/zinc/04/48/37/569044837.db2.gz AMWXCGZYWZXHFT-UHFFFAOYSA-N 0 0 411.433 2.816 50 0 HFAARN COc1cccc(Cn2ncc3ccc(C(=O)NCCCN4CCOCC4)cc32)c1 ZINC000035559960 569044883 /nfs/dbraw/zinc/04/48/83/569044883.db2.gz WQKJPDUTYZYNCN-UHFFFAOYSA-N 0 0 408.502 2.545 50 0 HFAARN CC[C@H](C(=O)N1CCOCC1)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000035562449 569045127 /nfs/dbraw/zinc/04/51/27/569045127.db2.gz FXUUXUMKCZMSHE-CQSZACIVSA-N 0 0 402.838 2.515 50 0 HFAARN Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000035598152 569045819 /nfs/dbraw/zinc/04/58/19/569045819.db2.gz JZCCGBONTPTVEC-UHFFFAOYSA-N 0 0 416.407 2.952 50 0 HFAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc(OC)c1 ZINC000006386038 569046301 /nfs/dbraw/zinc/04/63/01/569046301.db2.gz KJDCLAFAPNXASK-UHFFFAOYSA-N 0 0 410.517 2.805 50 0 HFAARN Cc1cc(N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)nc(C)n1 ZINC000012982057 569047240 /nfs/dbraw/zinc/04/72/40/569047240.db2.gz WCMNCYJTSWAQPL-UHFFFAOYSA-N 0 0 410.547 2.592 50 0 HFAARN C[C@@H]1c2ccsc2CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000012982720 569047320 /nfs/dbraw/zinc/04/73/20/569047320.db2.gz JASZIZNUVQWNBX-ODXCJYRJSA-N 0 0 401.463 2.800 50 0 HFAARN COc1cccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)CC2=O)c1 ZINC000012988151 569047544 /nfs/dbraw/zinc/04/75/44/569047544.db2.gz ACWXXCNAOIGXMN-QZTJIDSGSA-N 0 0 421.497 2.925 50 0 HFAARN Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccc(Cl)c2C)nn1-c1ccccc1 ZINC000012985439 569047750 /nfs/dbraw/zinc/04/77/50/569047750.db2.gz IJGWBEXEOBLFFO-UHFFFAOYSA-N 0 0 410.861 2.871 50 0 HFAARN COc1cc(/C=C/C(=O)N(CC(=O)N(C)C)CC(F)(F)F)ccc1OC(F)F ZINC000040122706 569048121 /nfs/dbraw/zinc/04/81/21/569048121.db2.gz MLPBITSPYLSZOB-FNORWQNLSA-N 0 0 410.339 2.789 50 0 HFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C=Cc2c(F)cccc2F)c(=O)[nH]c1=O ZINC000040129202 569048095 /nfs/dbraw/zinc/04/80/95/569048095.db2.gz LXGPEXISWLODDU-MDZDMXLPSA-N 0 0 420.460 2.900 50 0 HFAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1cccs1 ZINC000006431547 569050449 /nfs/dbraw/zinc/05/04/49/569050449.db2.gz IGNJOBDUGUUUIJ-UHFFFAOYSA-N 0 0 400.287 2.882 50 0 HFAARN O=C(COc1cccc(N2CCCC2=O)c1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000013013184 569050558 /nfs/dbraw/zinc/05/05/58/569050558.db2.gz PFSKIYOVZAWJKT-UHFFFAOYSA-N 0 0 407.470 2.857 50 0 HFAARN CCCC[C@@H]1Oc2ccc(S(=O)(=O)NCCCn3nc(C)cc3C)cc2NC1=O ZINC000252510755 569051330 /nfs/dbraw/zinc/05/13/30/569051330.db2.gz ZPWVDUOGKOOBIJ-IBGZPJMESA-N 0 0 420.535 2.758 50 0 HFAARN NC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000026609244 569051352 /nfs/dbraw/zinc/05/13/52/569051352.db2.gz HXQPLJRYMXCBAC-KRWDZBQOSA-N 0 0 409.383 2.829 50 0 HFAARN C[C@H](NC(=O)COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C12CC3CC(CC(C3)C1)C2 ZINC000239310455 569054180 /nfs/dbraw/zinc/05/41/80/569054180.db2.gz ILJIYSCFNJXAKN-VTBUSKMVSA-N 0 0 420.575 2.705 50 0 HFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H]2CCCc3ccccc32)C1=O ZINC000239475459 569054468 /nfs/dbraw/zinc/05/44/68/569054468.db2.gz AOMCVDDLOIGOSI-RDPSFJRHSA-N 0 0 420.513 2.884 50 0 HFAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000239667157 569054498 /nfs/dbraw/zinc/05/44/98/569054498.db2.gz BPDWURUGTBZNBM-UGSOOPFHSA-N 0 0 408.458 2.792 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000054090759 569057095 /nfs/dbraw/zinc/05/70/95/569057095.db2.gz RVOFQFMKGUEQAB-AWEZNQCLSA-N 0 0 418.515 2.936 50 0 HFAARN CN(C(=O)[C@H]1COc2ccccc21)C1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000089335065 569058436 /nfs/dbraw/zinc/05/84/36/569058436.db2.gz AGFGFBIUDNHTCX-VQTJNVASSA-N 0 0 406.482 2.788 50 0 HFAARN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(F)(F)F ZINC000001936233 569059839 /nfs/dbraw/zinc/05/98/39/569059839.db2.gz DWMDCIJFFNEGBW-UHFFFAOYSA-N 0 0 420.343 2.873 50 0 HFAARN CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000001902974 569060459 /nfs/dbraw/zinc/06/04/59/569060459.db2.gz FPTJOLPDKRHSFO-LJQANCHMSA-N 0 0 423.465 2.943 50 0 biogenic HFAARN COCCN(CCOC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000006531250 569064074 /nfs/dbraw/zinc/06/40/74/569064074.db2.gz MRXSGGUVQGCSCA-UHFFFAOYSA-N 0 0 419.547 2.725 50 0 HFAARN COc1ccc(CN(C)C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000079015004 569064696 /nfs/dbraw/zinc/06/46/96/569064696.db2.gz KVNBVJIVGDZDBL-MRXNPFEDSA-N 0 0 418.519 2.793 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000006548026 569064770 /nfs/dbraw/zinc/06/47/70/569064770.db2.gz ZQQBOXLSLYCEBF-UHFFFAOYSA-N 0 0 403.485 2.962 50 0 HFAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)N3CCCC3=O)c2n1 ZINC000006560363 569065769 /nfs/dbraw/zinc/06/57/69/569065769.db2.gz JNZYTMMVQOTWJH-UHFFFAOYSA-N 0 0 411.241 2.921 50 0 HFAARN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccncc1)C2 ZINC000064566332 569067191 /nfs/dbraw/zinc/06/71/91/569067191.db2.gz UEIPFBQFCDXRTK-UHFFFAOYSA-N 0 0 404.405 2.870 50 0 HFAARN Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)Cc1cccnc1)C2 ZINC000064566365 569067199 /nfs/dbraw/zinc/06/71/99/569067199.db2.gz QIMQTTQBGNVZIO-UHFFFAOYSA-N 0 0 414.469 2.583 50 0 HFAARN Cc1cccc2c3nn(CC(=O)Nc4cccc(Br)c4)c(=O)n3cnc12 ZINC000064567791 569067450 /nfs/dbraw/zinc/06/74/50/569067450.db2.gz BNYVXPJUHYWNIV-UHFFFAOYSA-N 0 0 412.247 2.754 50 0 HFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000035948416 569067521 /nfs/dbraw/zinc/06/75/21/569067521.db2.gz OSFGCMSZUXPPOK-GOSISDBHSA-N 0 0 415.515 2.929 50 0 HFAARN CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000006593805 569068793 /nfs/dbraw/zinc/06/87/93/569068793.db2.gz GSZKCWOKKRCLHD-UHFFFAOYSA-N 0 0 422.572 2.643 50 0 HFAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(C)=O)cc1OC ZINC000035961547 569068833 /nfs/dbraw/zinc/06/88/33/569068833.db2.gz HZWGZRDMTYQAFU-LJQANCHMSA-N 0 0 413.449 2.999 50 0 HFAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCC(C)C)C(C)C)C2)[C@H](c2ccccc2)NC1=O ZINC000035964229 569068997 /nfs/dbraw/zinc/06/89/97/569068997.db2.gz VRRZDGUSTYJZAE-VQTJNVASSA-N 0 0 412.534 2.666 50 0 HFAARN C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C ZINC000035964962 569069131 /nfs/dbraw/zinc/06/91/31/569069131.db2.gz ZGNYROKXUSOQNQ-DJJJIMSYSA-N 0 0 408.433 2.645 50 0 HFAARN C[C@H](C(=O)Nc1ccc(F)cc1)N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C ZINC000035964964 569069155 /nfs/dbraw/zinc/06/91/55/569069155.db2.gz ZGNYROKXUSOQNQ-YJYMSZOUSA-N 0 0 408.433 2.645 50 0 HFAARN CCN1C2=C(C(=O)N(CCC(=O)NCC(C)C)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035967455 569069233 /nfs/dbraw/zinc/06/92/33/569069233.db2.gz SLELLNWRSTWAJN-NRFANRHFSA-N 0 0 412.534 2.648 50 0 HFAARN Cc1ccc(CNC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1 ZINC000064593435 569069514 /nfs/dbraw/zinc/06/95/14/569069514.db2.gz OUXPXGHHYDZKTA-UHFFFAOYSA-N 0 0 405.483 2.597 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccccc2OC)C1=O)C3 ZINC000100792902 569069860 /nfs/dbraw/zinc/06/98/60/569069860.db2.gz OJFAMKOJWZQQRB-HXUWFJFHSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)cc1 ZINC000100791554 569069878 /nfs/dbraw/zinc/06/98/78/569069878.db2.gz OSEYKPMXRGZHFX-NRFANRHFSA-N 0 0 402.454 2.817 50 0 biogenic HFAARN Cc1c(I)ccc(=O)n1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000089536835 569069955 /nfs/dbraw/zinc/06/99/55/569069955.db2.gz HELPCGSQBUOJGG-UKRRQHHQSA-N 0 0 414.287 2.943 50 0 HFAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000004434706 569071320 /nfs/dbraw/zinc/07/13/20/569071320.db2.gz NUEKZDFFDZIKIO-HNNXBMFYSA-N 0 0 404.488 2.868 50 0 HFAARN COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C ZINC000004764035 569071484 /nfs/dbraw/zinc/07/14/84/569071484.db2.gz CEJRBPXRWXOFEP-PMACEKPBSA-N 0 0 412.486 2.838 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccccc2OC)C1=O)C3 ZINC000036370074 569071783 /nfs/dbraw/zinc/07/17/83/569071783.db2.gz OJFAMKOJWZQQRB-FQEVSTJZSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O)C3 ZINC000036370099 569071814 /nfs/dbraw/zinc/07/18/14/569071814.db2.gz FNBJGBQAGJYGAP-OAQYLSRUSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN CCc1noc(CCNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 ZINC000426395448 569072689 /nfs/dbraw/zinc/07/26/89/569072689.db2.gz WSHMVHLMVOOAFB-UHFFFAOYSA-N 0 0 415.519 2.829 50 0 HFAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCC[C@@]4(CNC(=O)O4)CC3)sc21 ZINC000426497333 569073127 /nfs/dbraw/zinc/07/31/27/569073127.db2.gz XRJJQLZLXDGQNV-HNNXBMFYSA-N 0 0 402.398 2.758 50 0 HFAARN O=C(c1c[nH]c(=O)cc1O)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000426500041 569073166 /nfs/dbraw/zinc/07/31/66/569073166.db2.gz CZZSVIHHNRBKQJ-QFIPXVFZSA-N 0 0 401.507 2.918 50 0 HFAARN COc1cccc(-c2noc(CCCC(=O)N3CCC(c4nnc(C)[nH]4)CC3)n2)c1 ZINC000426501681 569073197 /nfs/dbraw/zinc/07/31/97/569073197.db2.gz AWALCWRWGNWTLF-UHFFFAOYSA-N 0 0 410.478 2.901 50 0 HFAARN O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426513465 569073261 /nfs/dbraw/zinc/07/32/61/569073261.db2.gz APVRJJUVTYSYGI-OAQYLSRUSA-N 0 0 401.413 2.720 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)c(C)n1C ZINC000035993311 569074836 /nfs/dbraw/zinc/07/48/36/569074836.db2.gz CYFAQUHZSSOKDB-INIZCTEOSA-N 0 0 421.538 2.990 50 0 HFAARN COCCCN(CC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(=O)c1cccc(F)c1 ZINC000036000842 569075008 /nfs/dbraw/zinc/07/50/08/569075008.db2.gz ALINKHITSFKMLL-UHFFFAOYSA-N 0 0 404.438 2.919 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000006623340 569075080 /nfs/dbraw/zinc/07/50/80/569075080.db2.gz PALUFXIJWGQYMZ-GOSISDBHSA-N 0 0 402.472 2.599 50 0 HFAARN COC(=O)c1c(C)c(C(=O)CN(C2CC2)S(=O)(=O)c2ccc(F)cc2)c(C)n1C ZINC000036006674 569076162 /nfs/dbraw/zinc/07/61/62/569076162.db2.gz PWVHIPGHTQOLGH-UHFFFAOYSA-N 0 0 422.478 2.604 50 0 HFAARN CCn1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(=O)c2ccc(C)nc21 ZINC000006635220 569076368 /nfs/dbraw/zinc/07/63/68/569076368.db2.gz DDAKIIWMQZVTSZ-UHFFFAOYSA-N 0 0 401.369 2.799 50 0 HFAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NC(C)C)no2)c1 ZINC000036014721 569076469 /nfs/dbraw/zinc/07/64/69/569076469.db2.gz PZXMHDVRBQQHJK-KRWDZBQOSA-N 0 0 401.463 2.878 50 0 HFAARN CC[C@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029097 569078295 /nfs/dbraw/zinc/07/82/95/569078295.db2.gz QKCNVCCZJQJUMS-WMLDXEAASA-N 0 0 413.971 2.687 50 0 HFAARN COc1ccc(C(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3C2CC2)cc1 ZINC000036026491 569079531 /nfs/dbraw/zinc/07/95/31/569079531.db2.gz MNGBMWMBFIHZOG-JOCHJYFZSA-N 0 0 419.525 2.833 50 0 HFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000006653032 569081578 /nfs/dbraw/zinc/08/15/78/569081578.db2.gz LYXKVMMUGZJMKL-MAUKXSAKSA-N 0 0 422.547 2.569 50 0 HFAARN CCCNC(=O)[C@H]1CN(C(=S)NC(C)C)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044697 569081811 /nfs/dbraw/zinc/08/18/11/569081811.db2.gz KHAWAXMCTVCBKD-HOTGVXAUSA-N 0 0 423.579 2.537 50 0 HFAARN CCCCNC(=O)[C@H]1CN(C(=O)NC(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044671 569081837 /nfs/dbraw/zinc/08/18/37/569081837.db2.gz JWQTWILYIXMZGG-SJORKVTESA-N 0 0 421.538 2.762 50 0 HFAARN CCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000036041567 569082238 /nfs/dbraw/zinc/08/22/38/569082238.db2.gz KOPWGTXDRQPWDG-RBUKOAKNSA-N 0 0 410.470 2.692 50 0 HFAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000036041809 569082328 /nfs/dbraw/zinc/08/23/28/569082328.db2.gz MZVYBYFCQBCJPK-VXKWHMMOSA-N 0 0 408.498 2.718 50 0 HFAARN Nn1c(SCC(=O)NCCSCc2ccccc2)nnc1-c1cccs1 ZINC000006654515 569082897 /nfs/dbraw/zinc/08/28/97/569082897.db2.gz YFOZYCXFZNOWFL-UHFFFAOYSA-N 0 0 405.574 2.862 50 0 HFAARN O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000006660483 569083519 /nfs/dbraw/zinc/08/35/19/569083519.db2.gz JMWDXKWWCGJVST-GXYBQNOFSA-N 0 0 410.495 2.833 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 ZINC000006659014 569083606 /nfs/dbraw/zinc/08/36/06/569083606.db2.gz XNWLTKVOGIEZJX-VVSIHKJWSA-N 0 0 415.559 2.846 50 0 HFAARN COc1cccc([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036054176 569083980 /nfs/dbraw/zinc/08/39/80/569083980.db2.gz ALHUXJAZRMTOLL-DLBZAZTESA-N 0 0 400.475 2.925 50 0 HFAARN CN1C(=O)C2(Cc3ccccc3N3CC[C@@H](c4ccccc4)[C@@H]32)C(=O)N(C)C1=S ZINC000006662476 569085444 /nfs/dbraw/zinc/08/54/44/569085444.db2.gz IQOVOUHZEWCXTA-PKOBYXMFSA-N 0 0 405.523 2.807 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCN(C)c1ccccc1 ZINC000036063590 569085564 /nfs/dbraw/zinc/08/55/64/569085564.db2.gz 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VSNFHYDZFSZMMM-INIZCTEOSA-N 0 0 422.576 2.909 50 0 HFAARN CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)[C@H]2CCO[C@@H]21 ZINC000170638223 569280240 /nfs/dbraw/zinc/28/02/40/569280240.db2.gz OBXCJLKRCAJXJI-KURKYZTESA-N 0 0 407.536 2.796 50 0 HFAARN Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002095808 569280974 /nfs/dbraw/zinc/28/09/74/569280974.db2.gz UDHGIKXXRPQQFH-UHFFFAOYSA-N 0 0 415.467 2.992 50 0 biogenic HFAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 ZINC000002108623 569283683 /nfs/dbraw/zinc/28/36/83/569283683.db2.gz KLEGKGSMCSSIAI-REWPJTCUSA-N 0 0 403.482 2.544 50 0 biogenic HFAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(N)=O)CC3)ccc12 ZINC000002116633 569284689 /nfs/dbraw/zinc/28/46/89/569284689.db2.gz BWBSGDPCKLJCTF-UHFFFAOYSA-N 0 0 400.475 2.547 50 0 biogenic HFAARN CCC1(CC)[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@H](C)[C@H]1OC ZINC000252477462 569288287 /nfs/dbraw/zinc/28/82/87/569288287.db2.gz OITPDAJFLLAKGX-JCURWCKSSA-N 0 0 403.566 2.745 50 0 HFAARN CC(=O)N1CCN(C(=O)CNc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000054531665 569288905 /nfs/dbraw/zinc/28/89/05/569288905.db2.gz ZANNKIKUOOJDKP-UHFFFAOYSA-N 0 0 408.218 2.571 50 0 HFAARN O=C(NC[C@@H]1CCSC1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000252487036 569289267 /nfs/dbraw/zinc/28/92/67/569289267.db2.gz HQXSHFOHDUEQQG-ZDUSSCGKSA-N 0 0 401.513 2.731 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002146918 569289788 /nfs/dbraw/zinc/28/97/88/569289788.db2.gz UYTXAEMHKKWGFX-OAHLLOKOSA-N 0 0 415.467 2.991 50 0 HFAARN CCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1cccc(O)c1OC ZINC000252499459 569291104 /nfs/dbraw/zinc/29/11/04/569291104.db2.gz SAYXMNFPGONHKZ-KRWDZBQOSA-N 0 0 417.487 2.860 50 0 HFAARN Cc1nc2scc(CC(C)C)c2c(N2CCN(S(=O)(=O)NC(C)C)CC2)n1 ZINC000252503360 569291154 /nfs/dbraw/zinc/29/11/54/569291154.db2.gz VCCYSHQLPRDQOK-UHFFFAOYSA-N 0 0 411.597 2.563 50 0 HFAARN CCCC[C@H]1Oc2ccc(S(=O)(=O)NCCCn3nc(C)cc3C)cc2NC1=O ZINC000252510756 569291680 /nfs/dbraw/zinc/29/16/80/569291680.db2.gz ZPWVDUOGKOOBIJ-LJQANCHMSA-N 0 0 420.535 2.758 50 0 HFAARN C[C@@H]1COCCN1c1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000252512336 569291882 /nfs/dbraw/zinc/29/18/82/569291882.db2.gz PJYWETIMRSHHQY-FBVAEJEDSA-N 0 0 418.563 2.576 50 0 HFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@H](C)CCc3ccccc3)C2=O)cc1 ZINC000252527643 569292636 /nfs/dbraw/zinc/29/26/36/569292636.db2.gz DBQVUGAGFDRQSL-OXQOHEQNSA-N 0 0 409.486 2.848 50 0 HFAARN Cn1cnc2cc(NC(=O)CC[C@H]3NC(=O)N(CCc4ccccc4)C3=O)ccc21 ZINC000252537418 569293073 /nfs/dbraw/zinc/29/30/73/569293073.db2.gz LCSOVABIIUHXJP-QGZVFWFLSA-N 0 0 405.458 2.660 50 0 HFAARN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000252570833 569294423 /nfs/dbraw/zinc/29/44/23/569294423.db2.gz XJGKFGBBUBQQJU-KKLQWCBXSA-N 0 0 402.510 2.664 50 0 HFAARN CCNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2ccc(OC)c(OC)c2)o1 ZINC000037438309 569299498 /nfs/dbraw/zinc/29/94/98/569299498.db2.gz KSDCJLNLOCOTHX-XDOYNYLZSA-N 0 0 415.471 2.699 50 0 HFAARN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000007708589 569301564 /nfs/dbraw/zinc/30/15/64/569301564.db2.gz KDHJXEVMWZRGBQ-UHFFFAOYSA-N 0 0 402.497 2.726 50 0 HFAARN Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)o1 ZINC000007716871 569301986 /nfs/dbraw/zinc/30/19/86/569301986.db2.gz GHECFLHGGPRTOF-UHFFFAOYSA-N 0 0 406.508 2.715 50 0 HFAARN CCCCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21 ZINC000037511972 569302506 /nfs/dbraw/zinc/30/25/06/569302506.db2.gz QVQZVAQGDNEMJU-INIZCTEOSA-N 0 0 410.470 2.979 50 0 HFAARN Cc1cc(C)cc(OCC(=O)c2ccc3c(c2)N(CC(=O)NC(C)C)C(=O)CO3)c1 ZINC000037513065 569302633 /nfs/dbraw/zinc/30/26/33/569302633.db2.gz BRNHRCZMFXWFEW-UHFFFAOYSA-N 0 0 410.470 2.815 50 0 HFAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCCC2)C(=O)CO3)c1 ZINC000037513022 569302637 /nfs/dbraw/zinc/30/26/37/569302637.db2.gz JPNCMGYGQASVCW-UHFFFAOYSA-N 0 0 408.454 2.605 50 0 HFAARN COc1ccc(OC)c(N2CCN(C(=O)COc3ccc(Cl)cc3)[C@@H](C)C2=O)c1 ZINC000037522922 569303400 /nfs/dbraw/zinc/30/34/00/569303400.db2.gz ZQSBEGRJBRDTMI-AWEZNQCLSA-N 0 0 418.877 3.000 50 0 HFAARN COC(=O)CC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000037525611 569303862 /nfs/dbraw/zinc/30/38/62/569303862.db2.gz YVGJOTHNXCCUMD-UHFFFAOYSA-N 0 0 415.534 2.739 50 0 HFAARN O=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1 ZINC000037526368 569304182 /nfs/dbraw/zinc/30/41/82/569304182.db2.gz AQHGSWBCWQOKHD-UHFFFAOYSA-N 0 0 408.502 2.950 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C(C)=O)cc1 ZINC000007735001 569304618 /nfs/dbraw/zinc/30/46/18/569304618.db2.gz QOJWXNMUVIRMCC-LJQANCHMSA-N 0 0 402.472 2.690 50 0 HFAARN Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000007770609 569308213 /nfs/dbraw/zinc/30/82/13/569308213.db2.gz NRLUKBBNSOZQGW-UHFFFAOYSA-N 0 0 401.488 2.521 50 0 HFAARN CCCCN1C(=O)C[C@H](C(=O)NCc2nnc3ccccn32)[C@@H]1c1ccc(OC)cc1 ZINC000007779262 569309091 /nfs/dbraw/zinc/30/90/91/569309091.db2.gz UJULIAZZFGLVOW-AVRDEDQJSA-N 0 0 421.501 2.744 50 0 HFAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(-n2cnnn2)cc1 ZINC000007779357 569309215 /nfs/dbraw/zinc/30/92/15/569309215.db2.gz KTUABOPKQODFQH-UHFFFAOYSA-N 0 0 412.862 2.899 50 0 HFAARN O=C(COC(=O)COc1cccc(C(F)(F)F)c1)NC(=O)NC1CCCCC1 ZINC000007794683 569311050 /nfs/dbraw/zinc/31/10/50/569311050.db2.gz ZSTBIOUMPYDUNE-UHFFFAOYSA-N 0 0 402.369 2.786 50 0 HFAARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000007795741 569311065 /nfs/dbraw/zinc/31/10/65/569311065.db2.gz FXYWXFDODUGHCC-GOSISDBHSA-N 0 0 417.845 2.868 50 0 HFAARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000007795736 569311114 /nfs/dbraw/zinc/31/11/14/569311114.db2.gz FXYWXFDODUGHCC-SFHVURJKSA-N 0 0 417.845 2.868 50 0 HFAARN CC1(C)OC[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2O1 ZINC000252630850 569312469 /nfs/dbraw/zinc/31/24/69/569312469.db2.gz VEVTXBCHDVXHON-FYQPLNBISA-N 0 0 412.438 2.988 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886127 569315262 /nfs/dbraw/zinc/31/52/62/569315262.db2.gz LWAIHQIJGBZBGS-ACJLOTCBSA-N 0 0 420.922 2.933 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886125 569315287 /nfs/dbraw/zinc/31/52/87/569315287.db2.gz LWAIHQIJGBZBGS-SCLBCKFNSA-N 0 0 420.922 2.933 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@H]1c1cccs1 ZINC000252671408 569319352 /nfs/dbraw/zinc/31/93/52/569319352.db2.gz NJNHNSPRSPDBNY-HNNXBMFYSA-N 0 0 402.522 2.531 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252673950 569319503 /nfs/dbraw/zinc/31/95/03/569319503.db2.gz RPXBSJPRJBGCSU-SFHVURJKSA-N 0 0 412.442 2.530 50 0 HFAARN Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=NS(=O)(=O)c2ccc(C)cc2)s1 ZINC000252675730 569319656 /nfs/dbraw/zinc/31/96/56/569319656.db2.gz UWGMAHVVAUKUBF-UHFFFAOYSA-N 0 0 420.491 2.629 50 0 HFAARN O=C(COc1ccccc1Br)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000002970278 569322593 /nfs/dbraw/zinc/32/25/93/569322593.db2.gz XBORUMFNHFXSPD-UHFFFAOYSA-N 0 0 406.261 2.971 50 0 HFAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002250085 569324505 /nfs/dbraw/zinc/32/45/05/569324505.db2.gz WOGUMTFKTTWWMP-GTNSWQLSSA-N 0 0 418.471 2.832 50 0 HFAARN COCCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002254936 569326239 /nfs/dbraw/zinc/32/62/39/569326239.db2.gz OIKAKAAKKMEHNK-UHFFFAOYSA-N 0 0 419.441 2.651 50 0 HFAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 ZINC000007924534 569327378 /nfs/dbraw/zinc/32/73/78/569327378.db2.gz YDWKJHJSMARDJE-FQEVSTJZSA-N 0 0 420.506 2.974 50 0 HFAARN COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 ZINC000036372277 569358081 /nfs/dbraw/zinc/35/80/81/569358081.db2.gz TVYBDQDXSLBDGV-ZCVVDKHISA-N 0 0 416.514 2.678 50 0 HFAARN CCc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CCOC)cc1 ZINC000253393119 569365127 /nfs/dbraw/zinc/36/51/27/569365127.db2.gz SZYPNQFETGFYNH-UHFFFAOYSA-N 0 0 409.490 2.709 50 0 HFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 ZINC000253410916 569366518 /nfs/dbraw/zinc/36/65/18/569366518.db2.gz NYCIXQRVEYXLSB-FHJLPGHOSA-N 0 0 413.518 2.779 50 0 biogenic HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000253412833 569366776 /nfs/dbraw/zinc/36/67/76/569366776.db2.gz SEURUGCQGYHUDW-GOSISDBHSA-N 0 0 409.486 2.989 50 0 biogenic HFAARN Cn1cc(C(=O)N2CC(N3CCc4ccccc4C3)C2)c(-c2cccs2)cc1=O ZINC000253473220 569381528 /nfs/dbraw/zinc/38/15/28/569381528.db2.gz SRUWNGMEDNWMON-UHFFFAOYSA-N 0 0 405.523 2.997 50 0 HFAARN O=C1C[C@H](N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F ZINC000091302288 569382937 /nfs/dbraw/zinc/38/29/37/569382937.db2.gz ABXQFTXEJVVVIB-XBGMYJNYSA-N 0 0 411.452 2.928 50 0 HFAARN CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000253536145 569382955 /nfs/dbraw/zinc/38/29/55/569382955.db2.gz FUIDZNUARWBWSK-HEHGZKQESA-N 0 0 402.447 2.506 50 0 HFAARN COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000252499071 569387850 /nfs/dbraw/zinc/38/78/50/569387850.db2.gz RVCQLZOFWYPZMC-LLVKDONJSA-N 0 0 415.320 2.873 50 0 HFAARN Cc1ccsc1CN(C(=O)c1cc(=O)c2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027757629 569393214 /nfs/dbraw/zinc/39/32/14/569393214.db2.gz NGYQWSTXDOGJKT-CQSZACIVSA-N 0 0 417.508 2.992 50 0 HFAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc1OC ZINC000002395885 569394321 /nfs/dbraw/zinc/39/43/21/569394321.db2.gz SGKVOIJKXWGKMM-UHFFFAOYSA-N 0 0 403.439 2.546 50 0 HFAARN COc1ccc(-n2c(-c3ccc(C)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000002421199 569398118 /nfs/dbraw/zinc/39/81/18/569398118.db2.gz UOIXOULRLFEMRX-UHFFFAOYSA-N 0 0 415.453 2.660 50 0 HFAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccc(F)cc1 ZINC000012892377 569404582 /nfs/dbraw/zinc/40/45/82/569404582.db2.gz SMVSQKBDZDDHAV-FQEVSTJZSA-N 0 0 422.460 2.867 50 0 biogenic HFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000013036856 569407608 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Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1Cl ZINC000002779038 557761172 /nfs/dbraw/zinc/76/11/72/557761172.db2.gz YIENNLXJVARAKE-SECBINFHSA-N 0 0 405.911 2.820 50 0 HFAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1=O ZINC000008217372 557776496 /nfs/dbraw/zinc/77/64/96/557776496.db2.gz XJZDGSHNENFXMR-ZWKOTPCHSA-N 0 0 421.497 2.895 50 0 HFAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000003009336 557779093 /nfs/dbraw/zinc/77/90/93/557779093.db2.gz GNWIMIUMFHWIFZ-ZDUSSCGKSA-N 0 0 415.446 2.846 50 0 HFAARN Cc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1C ZINC000003007756 557781440 /nfs/dbraw/zinc/78/14/40/557781440.db2.gz APRYJIBVYBHKSS-UHFFFAOYSA-N 0 0 419.481 2.938 50 0 HFAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3cccnc32)c1 ZINC000008604756 557796664 /nfs/dbraw/zinc/79/66/64/557796664.db2.gz WILYEHIADWYOCM-UHFFFAOYSA-N 0 0 420.494 2.924 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000014909206 557796774 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O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](c1ccsc1)N1CCOCC1 ZINC000022767422 557815190 /nfs/dbraw/zinc/81/51/90/557815190.db2.gz IJCGTLOSNJOSOT-KRWDZBQOSA-N 0 0 400.953 2.894 50 0 HFAARN Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(cccc3F)s2)nn1C ZINC000022768199 557818357 /nfs/dbraw/zinc/81/83/57/557818357.db2.gz DUTYHJFNRLCSGZ-UHFFFAOYSA-N 0 0 417.510 2.846 50 0 HFAARN COc1ccc(CN2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1OC ZINC000022788761 557824328 /nfs/dbraw/zinc/82/43/28/557824328.db2.gz MEWAXJUQYBDAEM-LJQANCHMSA-N 0 0 411.546 2.869 50 0 HFAARN O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000009197322 557828125 /nfs/dbraw/zinc/82/81/25/557828125.db2.gz ZABZUCBYPGMIHJ-NRFANRHFSA-N 0 0 419.525 2.637 50 0 HFAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000009238705 557831918 /nfs/dbraw/zinc/83/19/18/557831918.db2.gz HJVCRIZDOKQAHE-RBUKOAKNSA-N 0 0 409.515 2.979 50 0 HFAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ccn3n2)cc1 ZINC000009321091 557836872 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O=S(=O)(NC1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1cccs1 ZINC000010680272 558349048 /nfs/dbraw/zinc/34/90/48/558349048.db2.gz FRNJNUSKVZSJFB-UHFFFAOYSA-N 0 0 420.965 2.533 50 0 HFAARN COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000020228912 558349781 /nfs/dbraw/zinc/34/97/81/558349781.db2.gz IHVPXFBEJHICCN-UHFFFAOYSA-N 0 0 416.952 2.925 50 0 HFAARN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000020255053 558351856 /nfs/dbraw/zinc/35/18/56/558351856.db2.gz UUNAOZXVFAERRR-IBGZPJMESA-N 0 0 418.921 2.997 50 0 HFAARN CC[C@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1NN ZINC000020289755 558353836 /nfs/dbraw/zinc/35/38/36/558353836.db2.gz OHWKGNDGMIRZPW-LJQANCHMSA-N 0 0 400.508 2.603 50 0 HFAARN COc1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000020294461 558354517 /nfs/dbraw/zinc/35/45/17/558354517.db2.gz NLGOLFGJZMOAJG-SFHVURJKSA-N 0 0 405.926 2.826 50 0 HFAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020308639 558354826 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COc1ccc(CN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000012974438 558490446 /nfs/dbraw/zinc/49/04/46/558490446.db2.gz CKPGFNOKMQOWHJ-HNNXBMFYSA-N 0 0 415.515 2.611 50 0 HFAARN CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000012976723 558491842 /nfs/dbraw/zinc/49/18/42/558491842.db2.gz IWZMWUJBJVAHIL-OAHLLOKOSA-N 0 0 417.893 2.509 50 0 HFAARN C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000022488691 558492040 /nfs/dbraw/zinc/49/20/40/558492040.db2.gz GXFZKBAISOZBFN-ZDUSSCGKSA-N 0 0 420.922 2.632 50 0 HFAARN COc1ccccc1CNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 ZINC000012978110 558492381 /nfs/dbraw/zinc/49/23/81/558492381.db2.gz NEFIVROSWBSNRU-UHFFFAOYSA-N 0 0 414.483 2.796 50 0 HFAARN O=C(Cc1cccs1)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000012980543 558493424 /nfs/dbraw/zinc/49/34/24/558493424.db2.gz MZEZBWNBNSQKGP-SXGWCWSVSA-N 0 0 416.480 2.872 50 0 HFAARN COc1ccc(-c2noc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 ZINC000012981937 558493828 /nfs/dbraw/zinc/49/38/28/558493828.db2.gz RLHSJIITPVROFM-GOSISDBHSA-N 0 0 417.425 2.890 50 0 HFAARN CCOC(=O)c1cc(OC(=O)[C@H]2CCCN(C(=O)OCC)C2)cc(C(=O)OCC)c1 ZINC000013009893 558502694 /nfs/dbraw/zinc/50/26/94/558502694.db2.gz PXDIFBJJFDXNRK-AWEZNQCLSA-N 0 0 421.446 2.814 50 0 HFAARN CC(C)OC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000013038326 558505447 /nfs/dbraw/zinc/50/54/47/558505447.db2.gz NACURAWWIMLQTM-UHFFFAOYSA-N 0 0 401.438 2.900 50 0 HFAARN COc1cccc(CN(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1OC ZINC000013040379 558506759 /nfs/dbraw/zinc/50/67/59/558506759.db2.gz NEXHTMGESUTBQL-UHFFFAOYSA-N 0 0 413.518 2.816 50 0 HFAARN Cc1ccccc1N(CC(=O)Nc1nnc(Cc2ccccc2)s1)S(C)(=O)=O ZINC000022739319 558506851 /nfs/dbraw/zinc/50/68/51/558506851.db2.gz IQWMVPRNBLGOAH-UHFFFAOYSA-N 0 0 416.528 2.842 50 0 HFAARN COCCN(CC(=O)Nc1c(C)cc(C)cc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013042284 558507868 /nfs/dbraw/zinc/50/78/68/558507868.db2.gz APJYMCNJYILXNA-UHFFFAOYSA-N 0 0 408.502 2.935 50 0 HFAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000013042518 558508203 /nfs/dbraw/zinc/50/82/03/558508203.db2.gz BVSSMLWNTFVSPF-LJQANCHMSA-N 0 0 419.380 2.874 50 0 HFAARN COc1ccc(CN2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1OC ZINC000022770940 558508716 /nfs/dbraw/zinc/50/87/16/558508716.db2.gz CQNRLOARIPOWMU-MRXNPFEDSA-N 0 0 408.502 2.819 50 0 HFAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780661 558510028 /nfs/dbraw/zinc/51/00/28/558510028.db2.gz GLLHYXWLNJEPGF-INIZCTEOSA-N 0 0 412.563 2.791 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)c1C ZINC000022783145 558510194 /nfs/dbraw/zinc/51/01/94/558510194.db2.gz PQCICVZMAMJMFC-RCZSKKKRSA-N 0 0 414.594 2.800 50 0 HFAARN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022782721 558510229 /nfs/dbraw/zinc/51/02/29/558510229.db2.gz TYEJJAWMHMLDBS-KRWDZBQOSA-N 0 0 404.530 2.561 50 0 HFAARN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022784201 558510544 /nfs/dbraw/zinc/51/05/44/558510544.db2.gz SEWJGYCORFPIFX-OKZBNKHCSA-N 0 0 404.530 2.560 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000022786008 558511130 /nfs/dbraw/zinc/51/11/30/558511130.db2.gz BDVBNBWBONBHFB-HXUWFJFHSA-N 0 0 420.557 2.837 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000022787040 558511306 /nfs/dbraw/zinc/51/13/06/558511306.db2.gz WRPWKOFOEHEHDQ-GOSISDBHSA-N 0 0 400.567 2.643 50 0 HFAARN COc1ccc(OC)c(CN2CCN([C@H](C)C(=O)Nc3ccccc3OC)CC2)c1 ZINC000022790201 558511919 /nfs/dbraw/zinc/51/19/19/558511919.db2.gz PGBDEKIAZQFYDN-QGZVFWFLSA-N 0 0 413.518 2.857 50 0 HFAARN O=C(CN1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1)N1CCCCCC1 ZINC000022799663 558512644 /nfs/dbraw/zinc/51/26/44/558512644.db2.gz UXOPVHYWQKJWJA-UHFFFAOYSA-N 0 0 417.941 2.910 50 0 HFAARN C[C@H]1CN(C(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C[C@H](C)O1 ZINC000022836121 558516076 /nfs/dbraw/zinc/51/60/76/558516076.db2.gz RRRNKRATYDPGFP-RYUDHWBXSA-N 0 0 407.561 2.732 50 0 HFAARN Cc1occc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000022852460 558517183 /nfs/dbraw/zinc/51/71/83/558517183.db2.gz AJJZGFDEARQKFQ-IBGZPJMESA-N 0 0 411.502 2.739 50 0 HFAARN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000022903642 558519409 /nfs/dbraw/zinc/51/94/09/558519409.db2.gz YRNHYWCWNPXRFV-UHFFFAOYSA-N 0 0 414.468 2.874 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000022913115 558520219 /nfs/dbraw/zinc/52/02/19/558520219.db2.gz LIMKHSXXLFYHTF-UHFFFAOYSA-N 0 0 416.472 2.858 50 0 HFAARN C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000022916619 558521676 /nfs/dbraw/zinc/52/16/76/558521676.db2.gz UZPSRSROSXHIJF-QGZVFWFLSA-N 0 0 414.937 2.601 50 0 HFAARN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC000022918691 558522272 /nfs/dbraw/zinc/52/22/72/558522272.db2.gz DZLILFWPPDKBOH-JOCHJYFZSA-N 0 0 412.921 2.882 50 0 HFAARN CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccnc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000013144130 558522703 /nfs/dbraw/zinc/52/27/03/558522703.db2.gz BRQQPZMKNJUDNH-GEYWLOKFSA-N 0 0 405.491 2.805 50 0 HFAARN C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022926320 558523184 /nfs/dbraw/zinc/52/31/84/558523184.db2.gz DHTRJRNWNKRXIV-IBGZPJMESA-N 0 0 403.530 2.820 50 0 HFAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)C1 ZINC000022932794 558524868 /nfs/dbraw/zinc/52/48/68/558524868.db2.gz LMOAUXNFNPXDEA-HZPDHXFCSA-N 0 0 424.948 2.540 50 0 HFAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)Nc1ccccn1 ZINC000013237441 558527661 /nfs/dbraw/zinc/52/76/61/558527661.db2.gz GWZKJRLZZUFWAA-UHFFFAOYSA-N 0 0 400.394 2.569 50 0 HFAARN CC(C)C[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)N1CCOCC1 ZINC000022970401 558528483 /nfs/dbraw/zinc/52/84/83/558528483.db2.gz OAXNBVCQSNMZJJ-HNNXBMFYSA-N 0 0 423.608 2.549 50 0 HFAARN Cc1nc(CCNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cs1 ZINC000022992356 558529448 /nfs/dbraw/zinc/52/94/48/558529448.db2.gz OIKXOBGINWZPBR-UHFFFAOYSA-N 0 0 419.528 2.804 50 0 HFAARN O=C(CN1c2cccc3cccc(c23)C1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000023057120 558532546 /nfs/dbraw/zinc/53/25/46/558532546.db2.gz CXSQZYWGHRBMOT-KRWDZBQOSA-N 0 0 412.511 2.758 50 0 HFAARN O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000023107953 558534501 /nfs/dbraw/zinc/53/45/01/558534501.db2.gz LYHQQSRVXBUTOH-LJQANCHMSA-N 0 0 406.573 2.979 50 0 HFAARN CCCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000013512753 558535802 /nfs/dbraw/zinc/53/58/02/558535802.db2.gz JUBRLMRAGKIJQI-UHFFFAOYSA-N 0 0 406.895 2.852 50 0 HFAARN O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000013536022 558537246 /nfs/dbraw/zinc/53/72/46/558537246.db2.gz YUUYFLMXXKVKHI-SFHVURJKSA-N 0 0 401.850 2.856 50 0 HFAARN O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(=O)NCCc1cccs1 ZINC000010882705 558537691 /nfs/dbraw/zinc/53/76/91/558537691.db2.gz GPLRGIXTUDFBOX-UHFFFAOYSA-N 0 0 422.923 2.538 50 0 HFAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3sccc3C)C2)cc1 ZINC000013545323 558537861 /nfs/dbraw/zinc/53/78/61/558537861.db2.gz TZUCLPJPSGNKEJ-OAHLLOKOSA-N 0 0 408.545 2.896 50 0 HFAARN CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCc3ccccc3)c(=O)oc2c1 ZINC000013623463 558550147 /nfs/dbraw/zinc/55/01/47/558550147.db2.gz QVWNSWWIUPLVBL-UHFFFAOYSA-N 0 0 423.421 2.811 50 0 HFAARN CCCCN1C(C(=O)Nc2cc(C)on2)=C(OC(C)=O)c2ccccc2S1(=O)=O ZINC000013624622 558550790 /nfs/dbraw/zinc/55/07/90/558550790.db2.gz DZVPCLAMEFXVRJ-UHFFFAOYSA-N 0 0 419.459 2.658 50 0 HFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1cccc(Br)c1 ZINC000023389396 558556435 /nfs/dbraw/zinc/55/64/35/558556435.db2.gz ANLLQHGALJMFKP-CQSZACIVSA-N 0 0 418.291 2.557 50 0 HFAARN CCCCNC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004434841 558558179 /nfs/dbraw/zinc/55/81/79/558558179.db2.gz ZDPKFMDPGLEQED-MRXNPFEDSA-N 0 0 404.517 2.627 50 0 HFAARN Cc1nc(COc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)no1 ZINC000023458604 558558761 /nfs/dbraw/zinc/55/87/61/558558761.db2.gz VLHGNYIJLXSJQV-UHFFFAOYSA-N 0 0 402.451 2.650 50 0 HFAARN COc1cc(OC)c(NC(=O)Cn2cc(Br)ccc2=O)cc1Cl ZINC000010907330 558558888 /nfs/dbraw/zinc/55/88/88/558558888.db2.gz GWGGTVMCLWWSMI-UHFFFAOYSA-N 0 0 401.644 2.920 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@](NC(=O)C3CCCCC3)(C(F)(F)F)C2=O)cc1 ZINC000013656164 558559032 /nfs/dbraw/zinc/55/90/32/558559032.db2.gz SVZLPRNOCGCGJS-GOSISDBHSA-N 0 0 413.396 2.907 50 0 HFAARN Cc1cc(N2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)nc2ccccc12 ZINC000013655952 558559124 /nfs/dbraw/zinc/55/91/24/558559124.db2.gz ZPZXEWDYLJILQA-UHFFFAOYSA-N 0 0 405.454 3.000 50 0 HFAARN Cc1c2ccccc2oc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000023540773 558561134 /nfs/dbraw/zinc/56/11/34/558561134.db2.gz PMGHQFCJDKDEHJ-FQEVSTJZSA-N 0 0 406.438 2.866 50 0 HFAARN CC(C)COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000023541548 558561363 /nfs/dbraw/zinc/56/13/63/558561363.db2.gz DFHFFKOMFCPHFI-QFIPXVFZSA-N 0 0 424.497 2.846 50 0 HFAARN NC(=O)[C@@H](c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000023617192 558563834 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O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1cccnc1 ZINC000033011585 558830936 /nfs/dbraw/zinc/83/09/36/558830936.db2.gz OJDQCQYNSGWHBJ-UHFFFAOYSA-N 0 0 403.464 2.733 50 0 HFAARN O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018107471 558831220 /nfs/dbraw/zinc/83/12/20/558831220.db2.gz JRLYYSDNZAXLAW-QGZVFWFLSA-N 0 0 410.474 2.890 50 0 HFAARN O=C(CSc1nc2ncccc2n2cccc12)N1CCN(c2ccccn2)CC1 ZINC000033012068 558831581 /nfs/dbraw/zinc/83/15/81/558831581.db2.gz PFWZCTKLBDQMLG-UHFFFAOYSA-N 0 0 404.499 2.718 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C2=NNC(=Nc3ccccc3F)SC2)cc1 ZINC000011116696 558836920 /nfs/dbraw/zinc/83/69/20/558836920.db2.gz QTHUHDXVSQYXDH-UHFFFAOYSA-N 0 0 406.508 2.836 50 0 HFAARN COc1cccc(CNC(=O)Cn2c(C)nc3c4cccnc4sc3c2=O)c1OC ZINC000046153699 558840231 /nfs/dbraw/zinc/84/02/31/558840231.db2.gz MJPVCALJBHSIQV-UHFFFAOYSA-N 0 0 424.482 2.648 50 0 HFAARN O=C(Cn1cnc(NC(=O)c2ccccc2)n1)Nc1ccc(Br)cc1 ZINC000033026185 558847155 /nfs/dbraw/zinc/84/71/55/558847155.db2.gz 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CCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N1CCOCC1 ZINC000033086098 558870772 /nfs/dbraw/zinc/87/07/72/558870772.db2.gz KLILBNUMINZCEW-UHFFFAOYSA-N 0 0 406.442 2.895 50 0 HFAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Br)cc1Cl ZINC000055053952 558870894 /nfs/dbraw/zinc/87/08/94/558870894.db2.gz OMDNNMWTKUVYKF-UHFFFAOYSA-N 0 0 410.703 2.653 50 0 HFAARN Cc1cc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccco4)n3)no2)no1 ZINC000033087466 558871289 /nfs/dbraw/zinc/87/12/89/558871289.db2.gz GPKYPFLDYQGQJG-UHFFFAOYSA-N 0 0 401.408 2.608 50 0 HFAARN CN(Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1)Cc1ccccc1 ZINC000055099219 558872417 /nfs/dbraw/zinc/87/24/17/558872417.db2.gz SBPRPIDHIDHRQM-FQEVSTJZSA-N 0 0 403.548 2.878 50 0 HFAARN CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCCCO2)n1CCc1ccccc1 ZINC000055197121 558875615 /nfs/dbraw/zinc/87/56/15/558875615.db2.gz HJIYMNPMADKTHJ-HXUWFJFHSA-N 0 0 405.564 2.920 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3noc4ccccc43)CC2)cc1Cl ZINC000033121382 558878619 /nfs/dbraw/zinc/87/86/19/558878619.db2.gz 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ZINC000033129929 558885682 /nfs/dbraw/zinc/88/56/82/558885682.db2.gz YBHPIXPESIUMDK-UHFFFAOYSA-N 0 0 402.516 2.904 50 0 HFAARN COc1ccc(C)cc1N1CCCn2c3c(nc21)n(C)c(=O)n(CCC(C)C)c3=O ZINC000005252025 558889663 /nfs/dbraw/zinc/88/96/63/558889663.db2.gz VEEFWCYDXZGEMU-UHFFFAOYSA-N 0 0 411.506 2.802 50 0 HFAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccccc2OC)CC1 ZINC000033139813 558891625 /nfs/dbraw/zinc/89/16/25/558891625.db2.gz XJCFDKHZWGIYHE-UHFFFAOYSA-N 0 0 408.506 2.852 50 0 HFAARN COc1cc(C(=O)OCC(=O)N2CCOc3ccc(C)cc32)cc(OC)c1OC ZINC000072333848 558892186 /nfs/dbraw/zinc/89/21/86/558892186.db2.gz XOAAMTMPBMBIKZ-UHFFFAOYSA-N 0 0 401.415 2.603 50 0 HFAARN Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)o1 ZINC000057991739 558892868 /nfs/dbraw/zinc/89/28/68/558892868.db2.gz ANWWTHFCRZUTIL-UHFFFAOYSA-N 0 0 408.443 2.511 50 0 HFAARN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000058016021 558895482 /nfs/dbraw/zinc/89/54/82/558895482.db2.gz NYIPLXGYSISDFX-YOEHRIQHSA-N 0 0 420.435 2.981 50 0 HFAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000058018313 558895588 /nfs/dbraw/zinc/89/55/88/558895588.db2.gz VIJGNJCNJASXQW-SFHVURJKSA-N 0 0 410.517 2.593 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCCc4ccccc43)CC2)o1 ZINC000058034005 558896554 /nfs/dbraw/zinc/89/65/54/558896554.db2.gz AWQOPPHMMNKGFL-SFHVURJKSA-N 0 0 418.515 2.840 50 0 HFAARN COC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1Cl ZINC000058081861 558897996 /nfs/dbraw/zinc/89/79/96/558897996.db2.gz QRAUUGJVYPCTOF-YJBOKZPZSA-N 0 0 421.925 2.988 50 0 HFAARN Cn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 ZINC000058086226 558898228 /nfs/dbraw/zinc/89/82/28/558898228.db2.gz VYDPJCLZJYQZOO-GFCCVEGCSA-N 0 0 420.399 2.826 50 0 HFAARN CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(c2ccc(OC)c(OC)c2)O1 ZINC000004689705 558899596 /nfs/dbraw/zinc/89/95/96/558899596.db2.gz UKLWOKYZMMDCCT-KRWDZBQOSA-N 0 0 417.384 2.610 50 0 HFAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000033170578 558903773 /nfs/dbraw/zinc/90/37/73/558903773.db2.gz UAUOBETYUMZTNU-JJEJIETFSA-N 0 0 419.503 2.878 50 0 HFAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000058162490 558906174 /nfs/dbraw/zinc/90/61/74/558906174.db2.gz QBRMVSSCOZWNJO-SFHVURJKSA-N 0 0 414.531 2.926 50 0 HFAARN O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000058167177 558907318 /nfs/dbraw/zinc/90/73/18/558907318.db2.gz QWXDGTKOCSWJQZ-UHFFFAOYSA-N 0 0 401.410 2.947 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 ZINC000058168620 558907755 /nfs/dbraw/zinc/90/77/55/558907755.db2.gz PLBKSHSMNMWBQR-UHFFFAOYSA-N 0 0 413.503 2.609 50 0 HFAARN CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)CCc1ccc(O)cc1)C2 ZINC000071774552 558911562 /nfs/dbraw/zinc/91/15/62/558911562.db2.gz VFNPTVIJIOYHJC-UHFFFAOYSA-N 0 0 403.486 2.828 50 0 HFAARN Cc1nc(CSc2ccc(C(=O)NCCN3CCCS3(=O)=O)cc2)cs1 ZINC000058210293 558912061 /nfs/dbraw/zinc/91/20/61/558912061.db2.gz FRXRWWFQAZXADO-UHFFFAOYSA-N 0 0 411.574 2.509 50 0 HFAARN CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)C1 ZINC000058218712 558913001 /nfs/dbraw/zinc/91/30/01/558913001.db2.gz AWWTYYGFTWLYBM-INIZCTEOSA-N 0 0 410.474 2.806 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000019538979 558914215 /nfs/dbraw/zinc/91/42/15/558914215.db2.gz SGMPLUPZNXXVPJ-UYAOXDASSA-N 0 0 400.567 2.500 50 0 HFAARN COc1ccc(CCN2C[C@@H](C(=O)NCCc3ccc(C)cc3)CC2=O)cc1OC ZINC000004710172 558914256 /nfs/dbraw/zinc/91/42/56/558914256.db2.gz DVRQOCNLOOJKEA-FQEVSTJZSA-N 0 0 410.514 2.762 50 0 HFAARN CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000004717356 558915904 /nfs/dbraw/zinc/91/59/04/558915904.db2.gz XBEXWIUSNVTRMC-KRWDZBQOSA-N 0 0 413.865 2.804 50 0 HFAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@@H]1CCCO1 ZINC000033249191 558916754 /nfs/dbraw/zinc/91/67/54/558916754.db2.gz REZYIWVFDPZUGQ-SBUREZEXSA-N 0 0 410.518 2.879 50 0 HFAARN Cc1cnn(CC2CC2)c1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C ZINC000058315135 558919122 /nfs/dbraw/zinc/91/91/22/558919122.db2.gz GNPDBPJYULCNRB-UHFFFAOYSA-N 0 0 412.519 2.996 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)cc1 ZINC000058329692 558919978 /nfs/dbraw/zinc/91/99/78/558919978.db2.gz WWXWLZBYZOVGRM-UHFFFAOYSA-N 0 0 400.909 2.989 50 0 HFAARN NC(=O)[C@H]1CCN(C(=O)[C@@H](Oc2cccc(Br)c2)c2ccccc2)C1 ZINC000058395057 558923982 /nfs/dbraw/zinc/92/39/82/558923982.db2.gz AHADOPBYDKNUML-YOEHRIQHSA-N 0 0 403.276 2.903 50 0 HFAARN CC(=O)Nc1cc(NC(=O)NCCCS(=O)(=O)Cc2ccccc2)ccc1F ZINC000058440178 558927322 /nfs/dbraw/zinc/92/73/22/558927322.db2.gz OLWASAASZPORAW-UHFFFAOYSA-N 0 0 407.467 2.911 50 0 HFAARN Cc1cc(C)cc(N(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000072119111 558927777 /nfs/dbraw/zinc/92/77/77/558927777.db2.gz GNLMCJGKJAKGRX-UHFFFAOYSA-N 0 0 415.559 2.657 50 0 HFAARN O=C(NCC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262282 558932588 /nfs/dbraw/zinc/93/25/88/558932588.db2.gz LBJCVHPUBCWLPM-INIZCTEOSA-N 0 0 420.535 2.767 50 0 HFAARN O=C(NCc1ccco1)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000033052795 558938121 /nfs/dbraw/zinc/93/81/21/558938121.db2.gz DYJSAHMLFVHYOF-UHFFFAOYSA-N 0 0 403.504 2.594 50 0 HFAARN CCOC(=O)C1=C(C)C(C(=O)OCC)(C(=O)OCC)NC(C)=C1c1ccccc1 ZINC000019608404 558946611 /nfs/dbraw/zinc/94/66/11/558946611.db2.gz QBPPOCZSGKHGBX-UHFFFAOYSA-N 0 0 401.459 2.765 50 0 HFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)n[nH]2)cc1S(N)(=O)=O ZINC000021806162 558951967 /nfs/dbraw/zinc/95/19/67/558951967.db2.gz BHGHIJHCGPHTFW-UHFFFAOYSA-N 0 0 400.460 2.602 50 0 HFAARN COc1ccccc1NC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2 ZINC000021807636 558952272 /nfs/dbraw/zinc/95/22/72/558952272.db2.gz HIYKQFAMUMCSFN-UHFFFAOYSA-N 0 0 415.453 2.694 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c3c(c(=O)n4nc(-c5ccccc5)nc42)CCC3)cc1 ZINC000021807688 558952517 /nfs/dbraw/zinc/95/25/17/558952517.db2.gz SQRKSWYKSFNEOP-UHFFFAOYSA-N 0 0 413.481 2.672 50 0 HFAARN CSc1ccc(CNC(=O)Cn2cnc3nc4c(cc3c2=O)C[C@H](C)CC4)cc1 ZINC000033059798 558953989 /nfs/dbraw/zinc/95/39/89/558953989.db2.gz IZQXVZLTNIRKLO-CQSZACIVSA-N 0 0 408.527 2.955 50 0 HFAARN Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1F ZINC000064591353 558964457 /nfs/dbraw/zinc/96/44/57/558964457.db2.gz VCNZMKMDOLPXSC-UHFFFAOYSA-N 0 0 420.400 2.978 50 0 HFAARN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)c1cccc(F)c1)C2 ZINC000064893042 558966608 /nfs/dbraw/zinc/96/66/08/558966608.db2.gz ILZMLKGTDGYRIZ-UHFFFAOYSA-N 0 0 410.424 2.827 50 0 HFAARN COCCn1ccc2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)cc2c1=O ZINC000021917062 558972322 /nfs/dbraw/zinc/97/23/22/558972322.db2.gz GUZFCCKEMCVFLG-UHFFFAOYSA-N 0 0 404.470 2.805 50 0 HFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1cccc(C)c1)CC(=O)N2 ZINC000065362424 558973199 /nfs/dbraw/zinc/97/31/99/558973199.db2.gz KLGVBLODIMUHNP-QGZVFWFLSA-N 0 0 404.474 2.590 50 0 HFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000065364189 558975162 /nfs/dbraw/zinc/97/51/62/558975162.db2.gz NKIUHKWUYKTPGU-MRXNPFEDSA-N 0 0 424.892 2.935 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000065365393 558976407 /nfs/dbraw/zinc/97/64/07/558976407.db2.gz XWLVCLVNJVPLNH-UHFFFAOYSA-N 0 0 413.869 2.678 50 0 HFAARN CC1=C(c2ccc(C)cc2)S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)C1=O ZINC000021913118 558976886 /nfs/dbraw/zinc/97/68/86/558976886.db2.gz IHLIGZYKTZKSKN-INIZCTEOSA-N 0 0 412.511 2.818 50 0 HFAARN CC(C)=CCn1c(=O)c2nc(C(=O)NC[C@H](C)O)cn2cc1-c1cccc(Cl)c1 ZINC000072407613 558977052 /nfs/dbraw/zinc/97/70/52/558977052.db2.gz XISABOHRMXCVIH-AWEZNQCLSA-N 0 0 414.893 2.893 50 0 HFAARN O=C(Cn1nnc2ccccc2c1=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334160881 558980225 /nfs/dbraw/zinc/98/02/25/558980225.db2.gz OCGCLLDNWRIVPJ-OAQYLSRUSA-N 0 0 410.437 2.574 50 0 HFAARN COc1ccc(-c2cc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)C)no2)cc1 ZINC000334161745 558980422 /nfs/dbraw/zinc/98/04/22/558980422.db2.gz FDPDTTGXBNDAAS-HNNXBMFYSA-N 0 0 409.406 2.645 50 0 HFAARN CCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1O ZINC000072437760 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COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC[C@@H]1CCCO1)C(=O)OC2 ZINC000062001657 560565893 /nfs/dbraw/zinc/56/58/93/560565893.db2.gz UOWMFRZYHHOOIV-NNSJBKGDSA-N 0 0 403.475 2.944 50 0 biogenic HFAARN COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1OC ZINC000005343472 560568136 /nfs/dbraw/zinc/56/81/36/560568136.db2.gz VODJVQIQDNSKRY-OAQYLSRUSA-N 0 0 409.442 2.727 50 0 HFAARN COCCCn1c(C(=O)Nc2ccccc2OC)cc2c1nc1ccccn1c2=O ZINC000005323310 560568760 /nfs/dbraw/zinc/56/87/60/560568760.db2.gz PXYZZMCJOLVDEA-UHFFFAOYSA-N 0 0 406.442 2.947 50 0 HFAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]3C2=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]42)cc1 ZINC000005396581 560581159 /nfs/dbraw/zinc/58/11/59/560581159.db2.gz KAYSSTDYMAEOPA-AEVHBADWSA-N 0 0 408.841 2.954 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CC1 ZINC000005423749 560584894 /nfs/dbraw/zinc/58/48/94/560584894.db2.gz IOXQSXCJWUEKDZ-ACGMZIBCSA-N 0 0 415.559 2.845 50 0 HFAARN O=C(CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)N[C@@H]1CCCc2ccccc21 ZINC000005425347 560585050 /nfs/dbraw/zinc/58/50/50/560585050.db2.gz ODSSCECNBJLFMX-RTWAWAEBSA-N 0 0 403.482 2.959 50 0 HFAARN NS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 ZINC000003218431 560589656 /nfs/dbraw/zinc/58/96/56/560589656.db2.gz KMIIKDNERHXQLI-UHFFFAOYSA-N 0 0 412.290 2.959 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000005461573 560591801 /nfs/dbraw/zinc/59/18/01/560591801.db2.gz BEJBKUPVKBPYSA-LJQANCHMSA-N 0 0 418.515 2.703 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1C ZINC000005471267 560593259 /nfs/dbraw/zinc/59/32/59/560593259.db2.gz BIJKIFBATMNUSE-LJQANCHMSA-N 0 0 414.458 2.565 50 0 HFAARN Cc1c(NC(=O)CSc2nncn2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003544141 560596348 /nfs/dbraw/zinc/59/63/48/560596348.db2.gz PYKMONQKVZLUFB-UHFFFAOYSA-N 0 0 420.498 2.796 50 0 HFAARN Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2N)c1 ZINC000003542167 560596364 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560655041 /nfs/dbraw/zinc/65/50/41/560655041.db2.gz VTQZLOQHRKROSM-DOTOQJQBSA-N 0 0 411.527 2.771 50 0 biogenic HFAARN C[C@@H]1CN(C(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)C[C@H](C)O1 ZINC000017246307 560704728 /nfs/dbraw/zinc/70/47/28/560704728.db2.gz WABCCIVWGGJRLU-CALCHBBNSA-N 0 0 415.559 2.992 50 0 HFAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000017316981 560708691 /nfs/dbraw/zinc/70/86/91/560708691.db2.gz CZOUDYBWFKHLFE-UHFFFAOYSA-N 0 0 407.474 2.758 50 0 HFAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cccc(NC(C)=O)c2)c1=O ZINC000017317022 560708715 /nfs/dbraw/zinc/70/87/15/560708715.db2.gz QTXDTEQDVFTMNW-UHFFFAOYSA-N 0 0 422.489 2.514 50 0 HFAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000017327956 560709119 /nfs/dbraw/zinc/70/91/19/560709119.db2.gz MPGVBTYXEZGECW-IRXDYDNUSA-N 0 0 402.516 2.723 50 0 HFAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000017333586 560709519 /nfs/dbraw/zinc/70/95/19/560709519.db2.gz RGJMLJVONJCVFN-UHFFFAOYSA-N 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ZINC000206705548 560733130 /nfs/dbraw/zinc/73/31/30/560733130.db2.gz JDCRYGDGFUMTJS-INIZCTEOSA-N 0 0 418.393 2.593 50 0 HFAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1 ZINC000004816097 560736520 /nfs/dbraw/zinc/73/65/20/560736520.db2.gz BUWSYWQQABABCW-UHFFFAOYSA-N 0 0 421.526 2.735 50 0 HFAARN O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206789375 560747481 /nfs/dbraw/zinc/74/74/81/560747481.db2.gz SVLIVPYKNOVVDN-INIZCTEOSA-N 0 0 422.407 2.722 50 0 HFAARN Cn1cc(C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c2ccccc21 ZINC000007459770 560751072 /nfs/dbraw/zinc/75/10/72/560751072.db2.gz VNMGSKPPRUVJEG-UHFFFAOYSA-N 0 0 409.471 2.805 50 0 HFAARN Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1F ZINC000009583140 560759546 /nfs/dbraw/zinc/75/95/46/560759546.db2.gz FRBJTOIQYVPATO-UHFFFAOYSA-N 0 0 400.435 2.905 50 0 HFAARN Cc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000169770161 560766112 /nfs/dbraw/zinc/76/61/12/560766112.db2.gz GNUQRVXNZZZGMK-UHFFFAOYSA-N 0 0 420.469 2.677 50 0 HFAARN COc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1OC ZINC000169772335 560766184 /nfs/dbraw/zinc/76/61/84/560766184.db2.gz WBHAAMGORVFJLF-UHFFFAOYSA-N 0 0 410.396 2.911 50 0 HFAARN COc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000169777363 560766294 /nfs/dbraw/zinc/76/62/94/560766294.db2.gz HWDHZAVLYPQKEB-UHFFFAOYSA-N 0 0 410.449 2.787 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cnc3cc(F)c(F)cc32)c1 ZINC000024380747 560770575 /nfs/dbraw/zinc/77/05/75/560770575.db2.gz RBZIORKHJFAALF-UHFFFAOYSA-N 0 0 422.457 2.984 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1 ZINC000011613469 560773039 /nfs/dbraw/zinc/77/30/39/560773039.db2.gz XKHAILSLIHECPX-UHFFFAOYSA-N 0 0 403.435 2.661 50 0 HFAARN O=C(COc1ccccc1)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000011693874 560773791 /nfs/dbraw/zinc/77/37/91/560773791.db2.gz UDWABTUMAHMEEX-UHFFFAOYSA-N 0 0 407.405 2.504 50 0 HFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)COc1ccc(Cl)cc1 ZINC000018094621 560775393 /nfs/dbraw/zinc/77/53/93/560775393.db2.gz BDEMGBHLSZLBJP-UHFFFAOYSA-N 0 0 404.850 2.977 50 0 HFAARN CSc1cccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)CC2=O)c1 ZINC000018099939 560775603 /nfs/dbraw/zinc/77/56/03/560775603.db2.gz XRXBRSICNOWGQQ-CQSZACIVSA-N 0 0 422.510 2.657 50 0 HFAARN O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000011929927 560775806 /nfs/dbraw/zinc/77/58/06/560775806.db2.gz TXKJTGKSYZTDFN-UHFFFAOYSA-N 0 0 422.407 2.890 50 0 HFAARN O=C(NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1)c1ccsc1 ZINC000583649850 560778635 /nfs/dbraw/zinc/77/86/35/560778635.db2.gz YKDZUGVOTBYPBO-CQSZACIVSA-N 0 0 400.435 2.716 50 0 HFAARN CC(C)C[C@@H](NC(=O)c1c2c(sc1-n1cnnn1)CCC2)c1nnc2ccccn21 ZINC000583652504 560779349 /nfs/dbraw/zinc/77/93/49/560779349.db2.gz AFSAFLTWKNXPBA-CQSZACIVSA-N 0 0 422.518 2.772 50 0 HFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc3c(c2)OCCCO3)c1C ZINC000018135178 560779480 /nfs/dbraw/zinc/77/94/80/560779480.db2.gz QSMZPLVZFYIBLD-UHFFFAOYSA-N 0 0 404.488 2.967 50 0 HFAARN CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000005681045 560781338 /nfs/dbraw/zinc/78/13/38/560781338.db2.gz AFISIMWABXXIEQ-KUHUBIRLSA-N 0 0 404.488 2.646 50 0 HFAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCO)c(=N)c32)cc1OC ZINC000101114944 560786907 /nfs/dbraw/zinc/78/69/07/560786907.db2.gz VFKGGJGVMFFPGM-LJQANCHMSA-N 0 0 409.442 2.754 50 0 HFAARN Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NC1CCCC1 ZINC000101160994 560787211 /nfs/dbraw/zinc/78/72/11/560787211.db2.gz YTQPTJVBCHUGCF-UHFFFAOYSA-N 0 0 402.520 2.718 50 0 HFAARN COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)cc1OC ZINC000101288587 560790708 /nfs/dbraw/zinc/79/07/08/560790708.db2.gz ULZMQKKRDNUAOJ-AEFFLSMTSA-N 0 0 400.818 2.958 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@H](C)N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000005700250 560790720 /nfs/dbraw/zinc/79/07/20/560790720.db2.gz WFDBPHWWRWGYQU-RBZFPXEDSA-N 0 0 418.453 2.861 50 0 HFAARN COc1ccccc1N1CCN(Cc2coc(=O)c(C[NH+]3CCCCC3)c2[O-])CC1 ZINC000101374420 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0 HFAARN Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4cccs4)CC3)nn2)c1 ZINC000049406391 568448908 /nfs/dbraw/zinc/44/89/08/568448908.db2.gz CBZGLAWCWXNWGG-UHFFFAOYSA-N 0 0 409.515 2.980 50 0 HFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccc(F)cc2N3C)cc1OC ZINC000049410054 568449803 /nfs/dbraw/zinc/44/98/03/568449803.db2.gz NAEAFVGDJONPNP-UHFFFAOYSA-N 0 0 413.449 2.655 50 0 biogenic HFAARN CCN(C(=O)Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)c1ccccc1 ZINC000049410807 568449994 /nfs/dbraw/zinc/44/99/94/568449994.db2.gz QCAKNJKWAANUSV-UHFFFAOYSA-N 0 0 406.421 2.827 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)COc1coc(CN2CCSCC2)cc1=O ZINC000049547073 568451500 /nfs/dbraw/zinc/45/15/00/568451500.db2.gz RPFGVCZGQFIOIK-UHFFFAOYSA-N 0 0 424.906 2.868 50 0 HFAARN O=C(Nc1nnc(C2CC2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000049548740 568451687 /nfs/dbraw/zinc/45/16/87/568451687.db2.gz BETSFKVQQZGMPN-HNNXBMFYSA-N 0 0 417.560 2.724 50 0 HFAARN O=C(c1cnn(-c2ccc(Br)cc2)c1-n1cccc1)N1CCOCC1 ZINC000049549926 568451823 /nfs/dbraw/zinc/45/18/23/568451823.db2.gz RJEDJGPHNMXGPD-UHFFFAOYSA-N 0 0 401.264 2.898 50 0 HFAARN COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)s1 ZINC000049550819 568451973 /nfs/dbraw/zinc/45/19/73/568451973.db2.gz QCKOLITUKSTFJR-MRVPVSSYSA-N 0 0 401.275 2.983 50 0 HFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@@H](c2ccco2)N(C)C)CC1=O ZINC000049944260 568453500 /nfs/dbraw/zinc/45/35/00/568453500.db2.gz OHQKDLHGYKQQOH-CJNGLKHVSA-N 0 0 405.882 2.714 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccccc2C)n1 ZINC000012231683 568453834 /nfs/dbraw/zinc/45/38/34/568453834.db2.gz AISSYUYHQCXFND-UHFFFAOYSA-N 0 0 420.517 2.712 50 0 HFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccccn1 ZINC000012233196 568454330 /nfs/dbraw/zinc/45/43/30/568454330.db2.gz KSYBNJCGKIHZBE-CQSZACIVSA-N 0 0 404.455 2.653 50 0 HFAARN Cc1ccc(N2CCn3c2nnc(C(=O)NCCc2c[nH]c4ccccc24)c3=O)cc1 ZINC000012233836 568454652 /nfs/dbraw/zinc/45/46/52/568454652.db2.gz PMZNZGPKJYMHEF-UHFFFAOYSA-N 0 0 414.469 2.552 50 0 HFAARN O=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000024681345 568456614 /nfs/dbraw/zinc/45/66/14/568456614.db2.gz BBSCREGBUPVWMM-IBGZPJMESA-N 0 0 412.914 2.972 50 0 HFAARN Cc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000037574024 568457362 /nfs/dbraw/zinc/45/73/62/568457362.db2.gz RDFZIXDQAILXDA-UHFFFAOYSA-N 0 0 423.517 2.804 50 0 HFAARN COc1ccccc1CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Cl)c1 ZINC000245280398 568461557 /nfs/dbraw/zinc/46/15/57/568461557.db2.gz PDNYKFSONLOBFM-OALUTQOASA-N 0 0 410.923 2.797 50 0 HFAARN Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000021152455 568462052 /nfs/dbraw/zinc/46/20/52/568462052.db2.gz WLRYXWUCYGNQBA-KRWDZBQOSA-N 0 0 412.317 2.900 50 0 HFAARN CCN1C(=O)/C(=C\c2cccc(/C=C3/C(=O)N(CC)C(=S)N3C)c2)N(C)C1=S ZINC000000692182 568462389 /nfs/dbraw/zinc/46/23/89/568462389.db2.gz OFLFVFNAANXBJP-UKVBVZPVSA-N 0 0 414.556 2.526 50 0 HFAARN C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(=O)c1c[nH]c2ccccc12 ZINC000021374062 568463344 /nfs/dbraw/zinc/46/33/44/568463344.db2.gz VBJIGLRORVGDBY-ALLJEULLSA-N 0 0 411.458 2.783 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCN(C)c2ccccc2)c1 ZINC000021904940 568472522 /nfs/dbraw/zinc/47/25/22/568472522.db2.gz QMGYCKGPRNKDDQ-UHFFFAOYSA-N 0 0 403.548 2.615 50 0 HFAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2NS(C)(=O)=O)c1 ZINC000024896219 568480183 /nfs/dbraw/zinc/48/01/83/568480183.db2.gz IHYYBGAJFGKFKF-UHFFFAOYSA-N 0 0 417.516 2.926 50 0 HFAARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000218498365 568481113 /nfs/dbraw/zinc/48/11/13/568481113.db2.gz RSCFZXWHPJDZQA-TZIWHRDSSA-N 0 0 420.513 2.897 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)n1 ZINC000390827021 568490670 /nfs/dbraw/zinc/49/06/70/568490670.db2.gz DMFHXQXZJJAKPN-UHFFFAOYSA-N 0 0 423.498 2.781 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000000814443 568494124 /nfs/dbraw/zinc/49/41/24/568494124.db2.gz OCEDFTSSCRKWOF-INIZCTEOSA-N 0 0 422.890 2.975 50 0 HFAARN CC(C)(C)c1ccc(S(=O)(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2N)cc1 ZINC000022776156 568499487 /nfs/dbraw/zinc/49/94/87/568499487.db2.gz VDOMVOIQAXCGGC-UHFFFAOYSA-N 0 0 414.487 2.751 50 0 HFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)c1sccc1-n1cccc1 ZINC000022888414 568500362 /nfs/dbraw/zinc/50/03/62/568500362.db2.gz SQPIRBCQVQDOPU-HNNXBMFYSA-N 0 0 412.467 2.994 50 0 HFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1=O ZINC000008474625 568501229 /nfs/dbraw/zinc/50/12/29/568501229.db2.gz BOKJRUCRFJYSFP-CMJOXMDJSA-N 0 0 423.469 2.840 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000032994712 568510674 /nfs/dbraw/zinc/51/06/74/568510674.db2.gz PGGUQSUZOHKCTL-LJQANCHMSA-N 0 0 401.507 2.937 50 0 HFAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000222025273 568513616 /nfs/dbraw/zinc/51/36/16/568513616.db2.gz OPHUYPKIJZFESE-LRDDRELGSA-N 0 0 421.410 2.814 50 0 HFAARN C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000223213301 568541272 /nfs/dbraw/zinc/54/12/72/568541272.db2.gz JDZDHQJHNYHAKL-DNVCBOLYSA-N 0 0 414.527 2.666 50 0 HFAARN COc1ccc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1OC ZINC000019901534 568585476 /nfs/dbraw/zinc/58/54/76/568585476.db2.gz OVJWCPAKEGMWGY-SFHVURJKSA-N 0 0 404.482 2.543 50 0 HFAARN CC1(C)Cc2cccc(OCC(=O)NCc3nnc4n3C[C@H](C(F)(F)F)CC4)c2O1 ZINC000390831960 568592442 /nfs/dbraw/zinc/59/24/42/568592442.db2.gz WGUJKSFGEXVSRR-CYBMUJFWSA-N 0 0 424.423 2.812 50 0 HFAARN O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000020189691 568593304 /nfs/dbraw/zinc/59/33/04/568593304.db2.gz HAOBAARHTNHQJH-QPJJXVBHSA-N 0 0 409.511 2.761 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1Cl ZINC000094992922 568593498 /nfs/dbraw/zinc/59/34/98/568593498.db2.gz UQMLCRXZAPONNY-CYBMUJFWSA-N 0 0 400.870 2.950 50 0 HFAARN O=C(CCn1cnc2ccccc2c1=O)NCCCCCCc1nnc2ccccn21 ZINC000094993166 568593983 /nfs/dbraw/zinc/59/39/83/568593983.db2.gz VUHLVIMSXHLCAW-UHFFFAOYSA-N 0 0 418.501 2.749 50 0 HFAARN C[C@@H](c1ccccc1)N1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000095000180 568593986 /nfs/dbraw/zinc/59/39/86/568593986.db2.gz GKAKLYQOECCTCW-ZOCIIQOWSA-N 0 0 404.919 2.915 50 0 HFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccncc2)N1CCCN1CCOCC1 ZINC000020310599 568598458 /nfs/dbraw/zinc/59/84/58/568598458.db2.gz LOLASKNPHHVRSQ-FQEVSTJZSA-N 0 0 423.444 2.595 50 0 HFAARN Cc1cc2sc(N3CCC(C(=O)NCCCN4CCOCC4)CC3)nc2c(C)c1 ZINC000020383694 568602788 /nfs/dbraw/zinc/60/27/88/568602788.db2.gz HJIVYTXGPOMXHC-UHFFFAOYSA-N 0 0 416.591 2.968 50 0 HFAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000095401220 568604957 /nfs/dbraw/zinc/60/49/57/568604957.db2.gz LZTFYFJMPKUABR-GOSISDBHSA-N 0 0 420.985 2.996 50 0 HFAARN Cc1ccc(NC(=O)N2CCN(CC(=O)NCCOc3cccc(C)c3)CC2)cc1 ZINC000095405705 568606162 /nfs/dbraw/zinc/60/61/62/568606162.db2.gz AAHIRBBONOFCCI-UHFFFAOYSA-N 0 0 410.518 2.648 50 0 HFAARN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H](C(C)C)N3CCCS3(=O)=O)cc2)n1 ZINC000095430596 568608832 /nfs/dbraw/zinc/60/88/32/568608832.db2.gz VIDGWVCWOHXPCZ-FXAWDEMLSA-N 0 0 418.563 2.726 50 0 HFAARN CC[C@H](CC(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)SC ZINC000095433701 568609415 /nfs/dbraw/zinc/60/94/15/568609415.db2.gz MNRXRXORFQIUQC-GOEBONIOSA-N 0 0 405.520 2.886 50 0 HFAARN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H](CC)OC3CCCCC3)C2)no1 ZINC000095436371 568609788 /nfs/dbraw/zinc/60/97/88/568609788.db2.gz KVRONXDWGNUCTM-AEFFLSMTSA-N 0 0 406.527 2.709 50 0 HFAARN COC(=O)Cc1ccc(OS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095452565 568615456 /nfs/dbraw/zinc/61/54/56/568615456.db2.gz RMJQTKSRMFGOKS-UHFFFAOYSA-N 0 0 413.492 2.510 50 0 HFAARN COC(=O)[C@]1(NCC(=O)N[C@H](C)c2cccs2)CCCN(Cc2ccccc2)C1 ZINC000095454699 568616439 /nfs/dbraw/zinc/61/64/39/568616439.db2.gz HDBZUMKBZHPWLL-VGSWGCGISA-N 0 0 415.559 2.723 50 0 HFAARN O=C(c1cnn2cc(Br)cnc12)N1CCN(Cc2ccccc2F)CC1 ZINC000095455443 568616947 /nfs/dbraw/zinc/61/69/47/568616947.db2.gz VNOWLZPPTMOBII-UHFFFAOYSA-N 0 0 418.270 2.589 50 0 HFAARN CC(C)(C)Oc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccn1 ZINC000095455448 568617029 /nfs/dbraw/zinc/61/70/29/568617029.db2.gz TUBYLZYKVWDUSL-UHFFFAOYSA-N 0 0 417.531 2.547 50 0 HFAARN C[C@@H](NC(=O)CN(C)[C@H](C(N)=O)c1cccc(Br)c1)c1cccs1 ZINC000095459177 568619206 /nfs/dbraw/zinc/61/92/06/568619206.db2.gz UIXUMROHZKUNHC-BZNIZROVSA-N 0 0 410.337 2.846 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c2ccccc12 ZINC000095458984 568619209 /nfs/dbraw/zinc/61/92/09/568619209.db2.gz JJJCPXHXPZEIIF-SFHVURJKSA-N 0 0 415.515 2.961 50 0 HFAARN CN(Cc1cccnc1)C(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000095461712 568620910 /nfs/dbraw/zinc/62/09/10/568620910.db2.gz XZHJVBAJOXFOOH-UHFFFAOYSA-N 0 0 422.721 2.979 50 0 HFAARN COc1ccc2c(C)c(CCC(=O)N(C)Cc3ccnc(N(C)C)n3)c(=O)oc2c1 ZINC000095464847 568622788 /nfs/dbraw/zinc/62/27/88/568622788.db2.gz CWEOKXHTAPGJDW-UHFFFAOYSA-N 0 0 410.474 2.557 50 0 HFAARN CCC[C@H](NC(=O)Cn1cnc2c1CCCC2)C(=O)N1CCc2sccc2C1 ZINC000095465210 568623081 /nfs/dbraw/zinc/62/30/81/568623081.db2.gz QTLYLRLTTFAMPQ-KRWDZBQOSA-N 0 0 400.548 2.693 50 0 HFAARN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)c1ccccc1Br ZINC000040144906 568624708 /nfs/dbraw/zinc/62/47/08/568624708.db2.gz SRTFMYDTWGMWLF-QMMMGPOBSA-N 0 0 401.282 2.797 50 0 HFAARN O=C(CCc1cnn(-c2ccccc2)c1)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000040154683 568626134 /nfs/dbraw/zinc/62/61/34/568626134.db2.gz JAGORMSGSVGHOQ-UHFFFAOYSA-N 0 0 403.486 2.621 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3)cc2C[C@H]1C ZINC000020529604 568626202 /nfs/dbraw/zinc/62/62/02/568626202.db2.gz CFCPFOAVNOAFAA-OAHLLOKOSA-N 0 0 415.515 2.600 50 0 HFAARN O=C(NCc1nnc2ccccn21)c1cc(-c2ccc(Br)s2)n[nH]1 ZINC000095478018 568631575 /nfs/dbraw/zinc/63/15/75/568631575.db2.gz SGXMHPRXOGYICU-UHFFFAOYSA-N 0 0 403.265 2.873 50 0 HFAARN CNS(=O)(=O)c1ccc(C)c(NC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000225404669 568634424 /nfs/dbraw/zinc/63/44/24/568634424.db2.gz JUXFBGRIZJOUGA-KXBFYZLASA-N 0 0 403.504 2.897 50 0 HFAARN O=C(COc1cccc(Cl)c1)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1ccccc1)C2 ZINC000096095712 568636180 /nfs/dbraw/zinc/63/61/80/568636180.db2.gz IIGZEXWQYQEWGV-MDASCCDHSA-N 0 0 420.918 2.687 50 0 HFAARN CC(=O)N1CC[C@@H](CN(C)Cc2c(Br)cncc2Br)C1 ZINC000225422300 568636640 /nfs/dbraw/zinc/63/66/40/568636640.db2.gz FETQTVRYAPSYHX-NSHDSACASA-N 0 0 405.134 2.907 50 0 HFAARN O=c1c2cccnc2[nH]c(=S)n1CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000020618252 568638400 /nfs/dbraw/zinc/63/84/00/568638400.db2.gz IBBCDXXQCSKUMB-UHFFFAOYSA-N 0 0 401.923 2.556 50 0 HFAARN COc1ccc(-c2coc3c(ccc4c3CN(CCN3CCOCC3)CO4)c2=O)cc1 ZINC000020646629 568639271 /nfs/dbraw/zinc/63/92/71/568639271.db2.gz MWJJTLCLYGNGCI-UHFFFAOYSA-N 0 0 422.481 2.953 50 0 biogenic HFAARN CC(=O)N1CCC(N(CCCN2CCOCC2)C(=S)Nc2cccc(C)c2)CC1 ZINC000020730936 568640961 /nfs/dbraw/zinc/64/09/61/568640961.db2.gz QZWYQUWDGDSVKY-UHFFFAOYSA-N 0 0 418.607 2.727 50 0 HFAARN Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1C ZINC000020757056 568641408 /nfs/dbraw/zinc/64/14/08/568641408.db2.gz KDIABRVWBLQVNH-OAQYLSRUSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN Cc1cc(C)cc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020758950 568641792 /nfs/dbraw/zinc/64/17/92/568641792.db2.gz UWBZOTIAJMWTEI-OAQYLSRUSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Br)c3)C2=O)c1 ZINC000225489054 568642286 /nfs/dbraw/zinc/64/22/86/568642286.db2.gz RUJLLQYHRDVDCU-SFHVURJKSA-N 0 0 418.247 2.570 50 0 HFAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Br)c3)C2=O)c1 ZINC000225489017 568642293 /nfs/dbraw/zinc/64/22/93/568642293.db2.gz RUJLLQYHRDVDCU-GOSISDBHSA-N 0 0 418.247 2.570 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000020762372 568642813 /nfs/dbraw/zinc/64/28/13/568642813.db2.gz YEZYTFZXAVIDAH-XVGQJIODSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN COc1cccc(CN2C(=O)N(c3cc(C)ccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000020848632 568644761 /nfs/dbraw/zinc/64/47/61/568644761.db2.gz UMKQEHSQZGCIGA-PMACEKPBSA-N 0 0 400.500 2.920 50 0 HFAARN COCCCNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000020848857 568644795 /nfs/dbraw/zinc/64/47/95/568644795.db2.gz GAGAWZFMPLHABQ-HXUWFJFHSA-N 0 0 420.506 2.657 50 0 HFAARN COc1ccc(C(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)cc1Br ZINC000020853785 568645189 /nfs/dbraw/zinc/64/51/89/568645189.db2.gz TVYMQMXWXVMDLB-UHFFFAOYSA-N 0 0 420.263 2.909 50 0 HFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2C)NC(=O)N[C@H]1c1ccccc1 ZINC000020858022 568645735 /nfs/dbraw/zinc/64/57/35/568645735.db2.gz DFZAXXDUSLNXPZ-IBGZPJMESA-N 0 0 414.483 2.558 50 0 HFAARN COc1ccc(C2(c3noc(C[C@H]4CCS(=O)(=O)C4)n3)CCCC2)cc1OC ZINC000225554972 568650784 /nfs/dbraw/zinc/65/07/84/568650784.db2.gz IGMQUOQTUDEJCN-CQSZACIVSA-N 0 0 406.504 2.924 50 0 HFAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)N1CCOCC1 ZINC000020919767 568650781 /nfs/dbraw/zinc/65/07/81/568650781.db2.gz HVBWHTIMSUOIOT-UHFFFAOYSA-N 0 0 412.895 2.754 50 0 HFAARN Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000020934385 568652129 /nfs/dbraw/zinc/65/21/29/568652129.db2.gz GLRNTHMDCQEUMR-UHFFFAOYSA-N 0 0 415.453 2.920 50 0 HFAARN COCCCNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000020937388 568652380 /nfs/dbraw/zinc/65/23/80/568652380.db2.gz BAHOIQDATPTRQZ-UHFFFAOYSA-N 0 0 421.563 2.749 50 0 HFAARN O=C(NCC[C@H](O)C(F)(F)F)c1ncc(Br)cc1Br ZINC000225584662 568654409 /nfs/dbraw/zinc/65/44/09/568654409.db2.gz VHUZPCIVFOAKJR-ZETCQYMHSA-N 0 0 405.996 2.650 50 0 HFAARN Cc1nn2c(nc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)s1 ZINC000020983393 568654868 /nfs/dbraw/zinc/65/48/68/568654868.db2.gz FOPFMOGRSTZYPQ-UHFFFAOYSA-N 0 0 422.542 2.917 50 0 HFAARN COc1nn(C)cc1C(=O)Nc1nnc(SCc2cc(OC)cc(OC)c2)s1 ZINC000021011248 568657574 /nfs/dbraw/zinc/65/75/74/568657574.db2.gz LHKUEVKZYKPAAZ-UHFFFAOYSA-N 0 0 421.504 2.842 50 0 HFAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4)CC3)c(C)o2)cc1 ZINC000021020138 568658100 /nfs/dbraw/zinc/65/81/00/568658100.db2.gz MEEJSUQIYBOXDH-UHFFFAOYSA-N 0 0 418.497 2.968 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3OC)C2)c(OC)c1 ZINC000095945104 568663312 /nfs/dbraw/zinc/66/33/12/568663312.db2.gz OOIAQHPCUDKOFT-QGZVFWFLSA-N 0 0 420.487 2.832 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000095945251 568663360 /nfs/dbraw/zinc/66/33/60/568663360.db2.gz GXDLPFULTDJAFB-GOSISDBHSA-N 0 0 420.487 2.832 50 0 HFAARN Cn1c2cc(-c3cccc(C(=O)NC[C@@H]4Cc5ccccc5O4)c3)cnc2[nH]c1=O ZINC000095945782 568663481 /nfs/dbraw/zinc/66/34/81/568663481.db2.gz OTHPNYVONJUMER-SFHVURJKSA-N 0 0 400.438 2.662 50 0 HFAARN COc1ccc(-c2nc(CN3CCN(Cn4ncn(C)c4=S)CC3)cs2)cc1 ZINC000095947330 568664714 /nfs/dbraw/zinc/66/47/14/568664714.db2.gz BYXHWCCHWPCYHT-UHFFFAOYSA-N 0 0 416.576 2.858 50 0 HFAARN O=C(C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCCc1ccco1 ZINC000021109984 568667923 /nfs/dbraw/zinc/66/79/23/568667923.db2.gz CKFFZBIXPBHWMY-PMERELPUSA-N 0 0 422.510 2.864 50 0 HFAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1Cl ZINC000021113259 568668470 /nfs/dbraw/zinc/66/84/70/568668470.db2.gz VNRBOJYCWPMRBZ-UHFFFAOYSA-N 0 0 400.909 2.771 50 0 HFAARN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)N1CCNC(=O)C1 ZINC000095953979 568668511 /nfs/dbraw/zinc/66/85/11/568668511.db2.gz YJWGXKGTUXJWIT-KRWDZBQOSA-N 0 0 406.255 2.819 50 0 HFAARN O[C@H](CSc1nnc(N2CCOCC2)s1)c1cccc(Br)c1 ZINC000095955386 568669029 /nfs/dbraw/zinc/66/90/29/568669029.db2.gz AADRTSOQXGADID-GFCCVEGCSA-N 0 0 402.339 2.963 50 0 HFAARN CN1CCN(C(=O)CCCSc2ccc(NC(=O)c3ccc(F)cc3)nn2)CC1 ZINC000021149110 568672156 /nfs/dbraw/zinc/67/21/56/568672156.db2.gz MDWHKZFUJLPLGQ-UHFFFAOYSA-N 0 0 417.510 2.514 50 0 HFAARN C=C1C(NCC(=O)NCc2ccc(C)o2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021163157 568674469 /nfs/dbraw/zinc/67/44/69/568674469.db2.gz PVQHPQPDTPCVGD-UHFFFAOYSA-N 0 0 401.488 2.584 50 0 HFAARN Cc1cc(N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n2ncnc2n1 ZINC000021175663 568677100 /nfs/dbraw/zinc/67/71/00/568677100.db2.gz ZBCYUUROKPYLJO-UHFFFAOYSA-N 0 0 409.538 2.670 50 0 HFAARN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCOC1=O ZINC000095989746 568677600 /nfs/dbraw/zinc/67/76/00/568677600.db2.gz ZRGBBJQHKGZRMM-UHFFFAOYSA-N 0 0 415.440 2.651 50 0 HFAARN Cc1cc(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c2ccccc2n1 ZINC000096001783 568681397 /nfs/dbraw/zinc/68/13/97/568681397.db2.gz IXNDJVIMXHTTQK-GOSISDBHSA-N 0 0 404.430 2.540 50 0 HFAARN CN(Cc1cccnc1)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000096004989 568682330 /nfs/dbraw/zinc/68/23/30/568682330.db2.gz UFLMVBVGJNDPRX-SFHVURJKSA-N 0 0 407.923 2.801 50 0 HFAARN CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)nc3ncnn32)C(C)(C)C1 ZINC000096006324 568682563 /nfs/dbraw/zinc/68/25/63/568682563.db2.gz WPUOPSGUZGOHDJ-UHFFFAOYSA-N 0 0 400.405 2.979 50 0 HFAARN CO[C@H]1CCN(c2ncc(Br)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005718 568682704 /nfs/dbraw/zinc/68/27/04/568682704.db2.gz BZYYTOTZNUYDHQ-STQMWFEESA-N 0 0 401.305 2.748 50 0 HFAARN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1cc(Cl)cc2[nH]cnc21 ZINC000096006472 568682870 /nfs/dbraw/zinc/68/28/70/568682870.db2.gz HBIZDUZSDMGIPS-IBGZPJMESA-N 0 0 423.860 2.631 50 0 HFAARN O=C(c1cncc(Br)c1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096099404 568690068 /nfs/dbraw/zinc/69/00/68/568690068.db2.gz SEYDUWZCTGCZKU-UHFFFAOYSA-N 0 0 409.305 2.923 50 0 HFAARN CCn1ccc(NC(=O)CCCn2nc(-c3ccc(OC)cc3)c(OC)cc2=O)n1 ZINC000096100885 568691076 /nfs/dbraw/zinc/69/10/76/568691076.db2.gz WOJOUQFPXQWDMF-UHFFFAOYSA-N 0 0 411.462 2.563 50 0 HFAARN O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 ZINC000096101451 568691279 /nfs/dbraw/zinc/69/12/79/568691279.db2.gz LEENIVUAZBPOIR-GFCCVEGCSA-N 0 0 400.788 2.768 50 0 HFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)COc4ccc(C)cc4)CC3)C2=O)cc1 ZINC000096105357 568692679 /nfs/dbraw/zinc/69/26/79/568692679.db2.gz WKDVYBAIZAIIJI-UHFFFAOYSA-N 0 0 421.497 2.795 50 0 HFAARN Cc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)no2)cc1 ZINC000096105645 568693044 /nfs/dbraw/zinc/69/30/44/568693044.db2.gz HSQYHMKZDNOQOO-UHFFFAOYSA-N 0 0 406.442 2.732 50 0 HFAARN Cc1nn(C)c(C)c1/C=C\C(=O)OCC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000096113610 568693359 /nfs/dbraw/zinc/69/33/59/568693359.db2.gz SVCXTBDLODQUBK-KTKRTIGZSA-N 0 0 407.417 2.853 50 0 HFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000096114953 568694534 /nfs/dbraw/zinc/69/45/34/568694534.db2.gz ZEIBYCOIHJUFRS-HXUWFJFHSA-N 0 0 420.444 2.723 50 0 biogenic HFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2c1cccc2Cl ZINC000096115051 568694559 /nfs/dbraw/zinc/69/45/59/568694559.db2.gz HGVPNFCYXDSEIP-SFHVURJKSA-N 0 0 424.888 2.942 50 0 biogenic HFAARN COc1ccc2cc(NC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cnc2c1 ZINC000096115275 568694886 /nfs/dbraw/zinc/69/48/86/568694886.db2.gz BHCQRRDVJNROKT-FQEVSTJZSA-N 0 0 418.453 2.735 50 0 biogenic HFAARN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012391686 568695975 /nfs/dbraw/zinc/69/59/75/568695975.db2.gz AFHSFXJGYWSWBY-LLVKDONJSA-N 0 0 420.434 2.934 50 0 HFAARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21 ZINC000096116568 568696073 /nfs/dbraw/zinc/69/60/73/568696073.db2.gz GCQKSGMHUPDCGT-FQEVSTJZSA-N 0 0 418.497 2.701 50 0 biogenic HFAARN CC(C)Cn1nc(CC(=O)NCCc2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000096117838 568697196 /nfs/dbraw/zinc/69/71/96/568697196.db2.gz ZTPZUHDHELYVLF-UHFFFAOYSA-N 0 0 403.486 2.830 50 0 HFAARN O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000096121151 568699452 /nfs/dbraw/zinc/69/94/52/568699452.db2.gz LKHZWUJXAIVNJW-ZROIWOOFSA-N 0 0 419.934 2.897 50 0 HFAARN Cc1nc2cc(NC(=O)[C@@H]3CCCN(c4ccc(-n5cncn5)nn4)C3)ccc2s1 ZINC000096124120 568700647 /nfs/dbraw/zinc/70/06/47/568700647.db2.gz ZMNNETSXQJXVFF-CQSZACIVSA-N 0 0 420.502 2.831 50 0 HFAARN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1CC ZINC000021473085 568703324 /nfs/dbraw/zinc/70/33/24/568703324.db2.gz HQXXKCOKIKHIKM-NVXWUHKLSA-N 0 0 415.490 2.503 50 0 HFAARN O=C(COC(=O)c1ccc(-n2cccn2)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000021471828 568703368 /nfs/dbraw/zinc/70/33/68/568703368.db2.gz JDAZUMHFUISTRZ-UHFFFAOYSA-N 0 0 404.426 2.560 50 0 HFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1ccc3ccccc31)C=C2 ZINC000096221498 568705199 /nfs/dbraw/zinc/70/51/99/568705199.db2.gz HDORGJWAPHYTAY-UHFFFAOYSA-N 0 0 419.481 2.830 50 0 biogenic HFAARN COC(=O)c1nc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)sc1CC(C)C ZINC000096223710 568706231 /nfs/dbraw/zinc/70/62/31/568706231.db2.gz WRWOTRWUWYTXDC-AWEZNQCLSA-N 0 0 414.491 2.537 50 0 HFAARN COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)cn1 ZINC000096231891 568707512 /nfs/dbraw/zinc/70/75/12/568707512.db2.gz CGFOAMKXROLBHH-HNNXBMFYSA-N 0 0 402.838 2.583 50 0 HFAARN CC(C)Cn1c(CCNC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21 ZINC000096232466 568708263 /nfs/dbraw/zinc/70/82/63/568708263.db2.gz VFJHOJLXWCQVIV-UHFFFAOYSA-N 0 0 407.453 2.780 50 0 HFAARN O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000021526212 568709437 /nfs/dbraw/zinc/70/94/37/568709437.db2.gz CGMBYGWBGFAMLW-NRFANRHFSA-N 0 0 420.538 2.675 50 0 HFAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000018523576 568710628 /nfs/dbraw/zinc/71/06/28/568710628.db2.gz KMVKOIIERMECAH-LBPRGKRZSA-N 0 0 422.890 2.965 50 0 HFAARN COc1ccc(NCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1OC ZINC000021531662 568711015 /nfs/dbraw/zinc/71/10/15/568711015.db2.gz QKCIZEYOXJNTHO-UHFFFAOYSA-N 0 0 414.535 2.710 50 0 HFAARN COc1cccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c1 ZINC000021531308 568711164 /nfs/dbraw/zinc/71/11/64/568711164.db2.gz AASDVNHNHORIQJ-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN CCOc1c(Br)cc(C(=O)N2CCC3(CC2)OCCO3)cc1OC ZINC000024995533 568711968 /nfs/dbraw/zinc/71/19/68/568711968.db2.gz HHPVWNYUARYWKH-UHFFFAOYSA-N 0 0 400.269 2.836 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000861861 568714600 /nfs/dbraw/zinc/71/46/00/568714600.db2.gz SGPVECWDPTYVAE-MTGKDYNDSA-N 0 0 420.490 2.504 50 0 HFAARN CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000018531761 568715471 /nfs/dbraw/zinc/71/54/71/568715471.db2.gz FXKYXCJKQYZGTL-SFHVURJKSA-N 0 0 410.426 2.726 50 0 HFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000096280239 568718107 /nfs/dbraw/zinc/71/81/07/568718107.db2.gz GUUUTMQDLLUTHY-NRFANRHFSA-N 0 0 423.488 2.755 50 0 HFAARN COc1ccc(C(=O)NCCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc(C)cc2)cc1 ZINC000096301250 568723429 /nfs/dbraw/zinc/72/34/29/568723429.db2.gz BSOVOQIWEMASKT-NRFANRHFSA-N 0 0 423.513 2.545 50 0 HFAARN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000096311009 568724445 /nfs/dbraw/zinc/72/44/45/568724445.db2.gz BPKXUMSTDSCEJM-SFHVURJKSA-N 0 0 414.575 2.730 50 0 HFAARN CC[C@H](C)NC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccc(C(C)=O)cc2)c1=O ZINC000096318255 568727093 /nfs/dbraw/zinc/72/70/93/568727093.db2.gz VGKRMDGUAPALJT-HNNXBMFYSA-N 0 0 407.470 2.578 50 0 HFAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(F)cc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000096318280 568727246 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568879612 /nfs/dbraw/zinc/87/96/12/568879612.db2.gz SKXACNDBZQNFHA-SFHVURJKSA-N 0 0 405.451 2.521 50 0 HFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000004046602 568880167 /nfs/dbraw/zinc/88/01/67/568880167.db2.gz HYEVCJIEJYWYIV-YCRPNKLZSA-N 0 0 410.426 2.811 50 0 biogenic HFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000003322218 568880640 /nfs/dbraw/zinc/88/06/40/568880640.db2.gz ZWFBDXLCCUIIFH-UHFFFAOYSA-N 0 0 408.907 2.979 50 0 HFAARN O=C(OCc1c(F)cccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003322675 568880644 /nfs/dbraw/zinc/88/06/44/568880644.db2.gz JEBXVSCENJUIFJ-UHFFFAOYSA-N 0 0 413.854 2.857 50 0 HFAARN COC(=O)c1cn([C@@H](CCSC)c2nc3ccccc3n2C)cc2c(=O)[nH]nc1-2 ZINC000263588290 568883694 /nfs/dbraw/zinc/88/36/94/568883694.db2.gz RGTJKYKWEGVUTA-INIZCTEOSA-N 0 0 411.487 2.692 50 0 HFAARN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003340394 568883713 /nfs/dbraw/zinc/88/37/13/568883713.db2.gz DNSQQKWATQUTFR-FQEVSTJZSA-N 0 0 414.527 2.823 50 0 HFAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000015391018 568884876 /nfs/dbraw/zinc/88/48/76/568884876.db2.gz YJQHOICSLGEKDX-KRWDZBQOSA-N 0 0 407.923 2.985 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)c2ccccc2Cl)cc1 ZINC000003351447 568885830 /nfs/dbraw/zinc/88/58/30/568885830.db2.gz DJDXRXIDKDMSNC-LBPRGKRZSA-N 0 0 410.879 2.881 50 0 HFAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1C ZINC000003359749 568887595 /nfs/dbraw/zinc/88/75/95/568887595.db2.gz LISMCITYTHQYCQ-UHFFFAOYSA-N 0 0 406.385 2.817 50 0 HFAARN CCOc1ccc(-n2c(CCC(=O)O[C@H]3CCOC3=O)nc3ccccc3c2=O)cc1 ZINC000003367680 568889351 /nfs/dbraw/zinc/88/93/51/568889351.db2.gz IJDAZNDQLAWCHI-IBGZPJMESA-N 0 0 422.437 2.576 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1C ZINC000003368793 568889508 /nfs/dbraw/zinc/88/95/08/568889508.db2.gz RRGQFMFOYVSSIY-UHFFFAOYSA-N 0 0 424.461 2.984 50 0 HFAARN O=C(COC(=O)c1c(F)cccc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003382744 568892848 /nfs/dbraw/zinc/89/28/48/568892848.db2.gz BIJUOXYDPYYLFM-UHFFFAOYSA-N 0 0 408.769 2.755 50 0 HFAARN CCNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000058157305 568893561 /nfs/dbraw/zinc/89/35/61/568893561.db2.gz DBEJGHBPAZUHCC-NSHDSACASA-N 0 0 402.720 2.889 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)C[C@@H](C)O1 ZINC000003398747 568895779 /nfs/dbraw/zinc/89/57/79/568895779.db2.gz NTDBTUVRLRWUCE-HUUCEWRRSA-N 0 0 408.545 2.818 50 0 HFAARN C[C@H](NC(=O)C(C)(C)n1cc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000058171382 568896217 /nfs/dbraw/zinc/89/62/17/568896217.db2.gz MDNOMRCHRNBZHB-NSHDSACASA-N 0 0 414.325 2.662 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)n2N)cc1 ZINC000003405894 568897127 /nfs/dbraw/zinc/89/71/27/568897127.db2.gz PCZGRPDRWCACNU-SFHVURJKSA-N 0 0 409.515 2.953 50 0 HFAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nnc1-c1ccccc1F ZINC000003426620 568900495 /nfs/dbraw/zinc/90/04/95/568900495.db2.gz VXEWSNGRXIENGU-UHFFFAOYSA-N 0 0 423.376 2.850 50 0 HFAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000003428097 568900979 /nfs/dbraw/zinc/90/09/79/568900979.db2.gz YSQDBIIJCTUELK-UHFFFAOYSA-N 0 0 403.685 2.680 50 0 HFAARN CNC(=O)c1cc(S(=O)(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)cs1 ZINC000670442335 568901355 /nfs/dbraw/zinc/90/13/55/568901355.db2.gz CFXNTYJWWCHMKV-UHFFFAOYSA-N 0 0 422.507 2.528 50 0 HFAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003437276 568902930 /nfs/dbraw/zinc/90/29/30/568902930.db2.gz FYZLDFODRDRDCA-UHFFFAOYSA-N 0 0 416.499 2.965 50 0 HFAARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000003451867 568905804 /nfs/dbraw/zinc/90/58/04/568905804.db2.gz UXKUAVHVUOUITD-NSHDSACASA-N 0 0 403.387 2.625 50 0 HFAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000003452172 568906003 /nfs/dbraw/zinc/90/60/03/568906003.db2.gz BVPOVIGFKWCTLX-FQEVSTJZSA-N 0 0 411.502 2.821 50 0 HFAARN COc1cc2nc(SCC(N)=O)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000003455338 568906296 /nfs/dbraw/zinc/90/62/96/568906296.db2.gz NBIPPXRCMZJGQY-UHFFFAOYSA-N 0 0 403.504 2.882 50 0 HFAARN COCCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl ZINC000003456271 568906431 /nfs/dbraw/zinc/90/64/31/568906431.db2.gz XKTPSILDHPMPIX-UHFFFAOYSA-N 0 0 400.859 2.680 50 0 HFAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1 ZINC000003457586 568906608 /nfs/dbraw/zinc/90/66/08/568906608.db2.gz KXAUBRJYENNAGW-OAHLLOKOSA-N 0 0 404.488 2.713 50 0 HFAARN NC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012652271 568906686 /nfs/dbraw/zinc/90/66/86/568906686.db2.gz RZUVGQAJDHRNSC-UHFFFAOYSA-N 0 0 402.501 2.796 50 0 HFAARN COc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 ZINC000005442189 568906863 /nfs/dbraw/zinc/90/68/63/568906863.db2.gz WFCXBOWDPHDGEO-UHFFFAOYSA-N 0 0 409.486 2.885 50 0 HFAARN O=C(CCSc1ccccc1F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012676143 568907360 /nfs/dbraw/zinc/90/73/60/568907360.db2.gz LPENVIMRJZLROT-UHFFFAOYSA-N 0 0 424.519 2.968 50 0 HFAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3cccc(C(N)=O)c3)cc2)c1C ZINC000012672604 568907462 /nfs/dbraw/zinc/90/74/62/568907462.db2.gz IUMVMXMCDIPBDU-UHFFFAOYSA-N 0 0 420.469 2.946 50 0 HFAARN C[C@@H](C(=O)N1CCc2ccccc2C1)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000012689272 568908088 /nfs/dbraw/zinc/90/80/88/568908088.db2.gz VTPIFYHIWSHUJL-LMKMVOKYSA-N 0 0 417.509 2.916 50 0 HFAARN C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 ZINC000003498709 568910025 /nfs/dbraw/zinc/91/00/25/568910025.db2.gz FRMKMTVTWWCQMQ-BFUOFWGJSA-N 0 0 408.433 2.647 50 0 HFAARN Cc1cccc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1 ZINC000263615475 568910186 /nfs/dbraw/zinc/91/01/86/568910186.db2.gz CQAUNYXQLPMJCH-NRFANRHFSA-N 0 0 421.476 2.960 50 0 HFAARN CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000003516536 568911694 /nfs/dbraw/zinc/91/16/94/568911694.db2.gz VDAOULXMKLRJKE-UHFFFAOYSA-N 0 0 420.560 3.000 50 0 HFAARN COc1cc(SC)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000003517542 568911715 /nfs/dbraw/zinc/91/17/15/568911715.db2.gz CKLFVRHSABTXBW-UHFFFAOYSA-N 0 0 420.556 2.872 50 0 HFAARN CNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000003516437 568911763 /nfs/dbraw/zinc/91/17/63/568911763.db2.gz QWCYJUQFLJSYNA-UHFFFAOYSA-N 0 0 413.478 2.875 50 0 HFAARN C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003520812 568912105 /nfs/dbraw/zinc/91/21/05/568912105.db2.gz NGCDPRVJOOJUNK-JTQLQIEISA-N 0 0 416.377 2.537 50 0 HFAARN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003522772 568912291 /nfs/dbraw/zinc/91/22/91/568912291.db2.gz LCUDZTMZTQMAQT-GFCCVEGCSA-N 0 0 402.428 2.573 50 0 HFAARN O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCN(c2ccccn2)CC1 ZINC000263619351 568912305 /nfs/dbraw/zinc/91/23/05/568912305.db2.gz YICDYORZKONHID-GOSISDBHSA-N 0 0 424.892 2.560 50 0 HFAARN CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O)c1ccccc1 ZINC000003525623 568912449 /nfs/dbraw/zinc/91/24/49/568912449.db2.gz IRHMNOIVDXRENO-UHFFFAOYSA-N 0 0 424.453 2.529 50 0 HFAARN NC(=O)c1ccc(NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 ZINC000263619387 568912471 /nfs/dbraw/zinc/91/24/71/568912471.db2.gz YMSUDTBXLKHETR-UHFFFAOYSA-N 0 0 418.501 2.562 50 0 HFAARN O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)cc1 ZINC000263619424 568912513 /nfs/dbraw/zinc/91/25/13/568912513.db2.gz YPRHZWZHQDYJAC-UHFFFAOYSA-N 0 0 410.380 2.572 50 0 HFAARN O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1Cc1cc(F)ccc1F ZINC000263619694 568912769 /nfs/dbraw/zinc/91/27/69/568912769.db2.gz ZZUOMCGJRGXYBH-UHFFFAOYSA-N 0 0 414.397 2.991 50 0 HFAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C ZINC000003531027 568913037 /nfs/dbraw/zinc/91/30/37/568913037.db2.gz RDOXBFHAYPYULH-MRXNPFEDSA-N 0 0 416.499 2.507 50 0 HFAARN Cn1c(=O)c2sccc2nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000031111744 568914390 /nfs/dbraw/zinc/91/43/90/568914390.db2.gz KIKWWCZCUCOUHU-UHFFFAOYSA-N 0 0 418.519 2.575 50 0 HFAARN CCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 ZINC000004124763 568915199 /nfs/dbraw/zinc/91/51/99/568915199.db2.gz OLZRPHJNCWOXLH-YSLJYZQTSA-N 0 0 406.276 2.855 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1 ZINC000003556630 568915339 /nfs/dbraw/zinc/91/53/39/568915339.db2.gz HBMYQGDCVOLMQR-UHFFFAOYSA-N 0 0 402.516 2.687 50 0 HFAARN CC(C)NC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003563643 568916146 /nfs/dbraw/zinc/91/61/46/568916146.db2.gz OGXKRKPDBUCAOC-UHFFFAOYSA-N 0 0 412.471 2.992 50 0 HFAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)Nc1ccccc1 ZINC000004148115 568916523 /nfs/dbraw/zinc/91/65/23/568916523.db2.gz ZLUOSWKEYBTOQQ-UHFFFAOYSA-N 0 0 411.512 2.971 50 0 aggregator HFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](Cc1ccccc1)C(=O)OC ZINC000083839994 568918221 /nfs/dbraw/zinc/91/82/21/568918221.db2.gz FHCAJSQWQARUNZ-QGZVFWFLSA-N 0 0 419.528 2.580 50 0 HFAARN CC[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000004163861 568918464 /nfs/dbraw/zinc/91/84/64/568918464.db2.gz WKVQAYWVRBDMIL-OOHWJJMZSA-N 0 0 409.552 2.644 50 0 HFAARN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000004164336 568918573 /nfs/dbraw/zinc/91/85/73/568918573.db2.gz XZRGQPAYKFMQCE-IRXDYDNUSA-N 0 0 419.547 2.559 50 0 HFAARN COc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165512 568918723 /nfs/dbraw/zinc/91/87/23/568918723.db2.gz ONSSNNWXBABZSA-INIZCTEOSA-N 0 0 403.456 2.670 50 0 HFAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O ZINC000003610688 568919958 /nfs/dbraw/zinc/91/99/58/568919958.db2.gz TXEABFJLOOCMBH-DEOSSOPVSA-N 0 0 401.466 2.966 50 0 HFAARN O=C(NCc1ccccc1)NC1(C(=O)NC[C@H]2COc3ccccc3O2)CCCC1 ZINC000031243863 568920527 /nfs/dbraw/zinc/92/05/27/568920527.db2.gz LUSKIMKGQGBKIL-SFHVURJKSA-N 0 0 409.486 2.755 50 0 HFAARN COc1ccc(Cc2nnc(NC(=O)N(C)[C@@H]3CCC[C@H]3S(C)(=O)=O)s2)cc1 ZINC000083855563 568920750 /nfs/dbraw/zinc/92/07/50/568920750.db2.gz ZHAAQHDYZFMQEL-HUUCEWRRSA-N 0 0 424.548 2.567 50 0 HFAARN COc1ccc(Cc2nnc(NC(=O)N(C)[C@H]3CCC[C@@H]3S(C)(=O)=O)s2)cc1 ZINC000083855562 568920776 /nfs/dbraw/zinc/92/07/76/568920776.db2.gz ZHAAQHDYZFMQEL-GJZGRUSLSA-N 0 0 424.548 2.567 50 0 HFAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)CN2c3ccc(Cl)cc3C(C)(C)C2=O)C1 ZINC000223193204 568922942 /nfs/dbraw/zinc/92/29/42/568922942.db2.gz ZTPZVCUDLILGTK-AWEZNQCLSA-N 0 0 405.926 2.727 50 0 HFAARN COc1ncccc1CNC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000031318454 568922930 /nfs/dbraw/zinc/92/29/30/568922930.db2.gz SVJKSPPRIIRQCK-GFCCVEGCSA-N 0 0 418.544 2.943 50 0 HFAARN COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)cc1NC(C)=O ZINC000012739245 568925847 /nfs/dbraw/zinc/92/58/47/568925847.db2.gz RBRPIOGCFBFFOR-LJQANCHMSA-N 0 0 419.503 2.595 50 0 HFAARN COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000031497661 568927086 /nfs/dbraw/zinc/92/70/86/568927086.db2.gz VCJMYZNASDDZON-CQSZACIVSA-N 0 0 419.499 2.948 50 0 HFAARN CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 ZINC000058646491 568927542 /nfs/dbraw/zinc/92/75/42/568927542.db2.gz SZJHQFKWWXSWSF-KRWDZBQOSA-N 0 0 406.552 2.933 50 0 HFAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)c1 ZINC000031546037 568927926 /nfs/dbraw/zinc/92/79/26/568927926.db2.gz PITPCWKRKXLMTR-KXBFYZLASA-N 0 0 422.485 2.706 50 0 HFAARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000031728600 568929750 /nfs/dbraw/zinc/92/97/50/568929750.db2.gz XYHFNINCOLXKGM-SNVBAGLBSA-N 0 0 406.215 2.970 50 0 HFAARN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000031728602 568929848 /nfs/dbraw/zinc/92/98/48/568929848.db2.gz XYHFNINCOLXKGM-JTQLQIEISA-N 0 0 406.215 2.970 50 0 HFAARN COc1ccc(N(C(=O)c2cccc(OC)c2OC)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000003958060 568930321 /nfs/dbraw/zinc/93/03/21/568930321.db2.gz MBFNUSIAMCOYBT-OAHLLOKOSA-N 0 0 403.456 2.670 50 0 HFAARN CCc1ccccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000012744837 568930595 /nfs/dbraw/zinc/93/05/95/568930595.db2.gz FUEZUCCETGKQAA-UHFFFAOYSA-N 0 0 411.477 2.995 50 0 HFAARN NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)C1 ZINC000031790417 568931381 /nfs/dbraw/zinc/93/13/81/568931381.db2.gz STVPTKMQHWDQSQ-CQSZACIVSA-N 0 0 415.877 2.695 50 0 HFAARN CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCCCC1 ZINC000016649450 568935208 /nfs/dbraw/zinc/93/52/08/568935208.db2.gz KRXUUYWJNGUHQE-UHFFFAOYSA-N 0 0 405.545 2.908 50 0 HFAARN COc1ccc(OC)c([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(C)=O)c1 ZINC000004036323 568935560 /nfs/dbraw/zinc/93/55/60/568935560.db2.gz OJPDIMZQJOXDCX-LJQANCHMSA-N 0 0 417.487 2.773 50 0 HFAARN CCCCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000004057700 568936745 /nfs/dbraw/zinc/93/67/45/568936745.db2.gz NFJXWYGQIXEEEV-UHFFFAOYSA-N 0 0 409.596 2.861 50 0 HFAARN O=c1cc(Cc2nnc(SCc3ccccc3F)n2-c2ccccc2)[nH]c(=O)[nH]1 ZINC000004061344 568937048 /nfs/dbraw/zinc/93/70/48/568937048.db2.gz DHLZGIWVKMUGGT-UHFFFAOYSA-N 0 0 409.446 2.666 50 0 HFAARN O=c1cc(Cc2nnc(SCc3ccc(F)cc3)n2-c2ccccc2)[nH]c(=O)[nH]1 ZINC000004061335 568937236 /nfs/dbraw/zinc/93/72/36/568937236.db2.gz UVKNBICSVSLTEZ-UHFFFAOYSA-N 0 0 409.446 2.666 50 0 HFAARN CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(Br)c1 ZINC000004065441 568937531 /nfs/dbraw/zinc/93/75/31/568937531.db2.gz RVRIHNRIAMPGPT-OAHLLOKOSA-N 0 0 413.268 2.665 50 0 HFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cccc(C)c3C)ccc21 ZINC000004076575 568938216 /nfs/dbraw/zinc/93/82/16/568938216.db2.gz CWFHAYCSKZIXMY-UHFFFAOYSA-N 0 0 415.515 2.520 50 0 HFAARN Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)[nH]c4ccsc4c3=O)cc2)cc1 ZINC000004790383 568939356 /nfs/dbraw/zinc/93/93/56/568939356.db2.gz RDYKJIUHUJMELH-UHFFFAOYSA-N 0 0 405.479 2.908 50 0 HFAARN Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 ZINC000084146408 568940199 /nfs/dbraw/zinc/94/01/99/568940199.db2.gz XLWQZZUIBZVBCL-UHFFFAOYSA-N 0 0 420.556 2.788 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000004086217 568940360 /nfs/dbraw/zinc/94/03/60/568940360.db2.gz CHNVSSCDEGMGJM-FSJXIACGSA-N 0 0 401.466 2.933 50 0 biogenic HFAARN CC[C@@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC ZINC000012752735 568941520 /nfs/dbraw/zinc/94/15/20/568941520.db2.gz ODUZEFXRVHITJR-MLGOLLRUSA-N 0 0 418.943 2.688 50 0 HFAARN CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc3c(c1)OCCO3)C[C@H](C)S2 ZINC000004101110 568942791 /nfs/dbraw/zinc/94/27/91/568942791.db2.gz KQDQRMNYVOFDJH-NSHDSACASA-N 0 0 419.528 2.802 50 0 HFAARN CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)s1 ZINC000004104060 568942918 /nfs/dbraw/zinc/94/29/18/568942918.db2.gz YISZBWFFDKUTCF-SSDOTTSWSA-N 0 0 415.591 2.511 50 0 HFAARN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012758859 568943670 /nfs/dbraw/zinc/94/36/70/568943670.db2.gz ANWQCRBZJAWNDU-UHFFFAOYSA-N 0 0 405.376 2.966 50 0 HFAARN COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)c1 ZINC000004107799 568943676 /nfs/dbraw/zinc/94/36/76/568943676.db2.gz OEWDGMHONRZJCV-SNVBAGLBSA-N 0 0 407.517 2.565 50 0 HFAARN Cc1nc(COc2cccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2)cs1 ZINC000012759441 568943766 /nfs/dbraw/zinc/94/37/66/568943766.db2.gz ISXAFHNAGDWRRN-UHFFFAOYSA-N 0 0 417.512 2.608 50 0 HFAARN CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004110899 568944052 /nfs/dbraw/zinc/94/40/52/568944052.db2.gz LJFNNZMPCCSOGU-UHFFFAOYSA-N 0 0 406.504 2.619 50 0 HFAARN CC[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004118768 568944270 /nfs/dbraw/zinc/94/42/70/568944270.db2.gz OMGFROOVPALWER-MLGOLLRUSA-N 0 0 404.517 2.626 50 0 HFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000084200565 568944423 /nfs/dbraw/zinc/94/44/23/568944423.db2.gz VMHCXXISFQYPPP-WBVHZDCISA-N 0 0 414.506 2.965 50 0 HFAARN Cc1sc2nc(CCNC(=O)c3csc(-c4ncccn4)n3)[nH]c(=O)c2c1C ZINC000670458620 568944738 /nfs/dbraw/zinc/94/47/38/568944738.db2.gz ZYCYTWZUVHJGFT-UHFFFAOYSA-N 0 0 412.500 2.900 50 0 HFAARN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000084297296 568945651 /nfs/dbraw/zinc/94/56/51/568945651.db2.gz DVFPPPSRSGPBCV-LJQANCHMSA-N 0 0 401.430 2.986 50 0 HFAARN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000084341335 568946878 /nfs/dbraw/zinc/94/68/78/568946878.db2.gz ZNLMYANGQHUTQM-UHFFFAOYSA-N 0 0 422.860 2.718 50 0 HFAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000084340865 568946955 /nfs/dbraw/zinc/94/69/55/568946955.db2.gz HJNHMCNADUJZHE-STQMWFEESA-N 0 0 409.401 2.653 50 0 HFAARN CCONC(=O)c1cc(Br)c(C(=O)NOCC)cc1Br ZINC000012763743 568947324 /nfs/dbraw/zinc/94/73/24/568947324.db2.gz UWMAXMWLSVFNDA-UHFFFAOYSA-N 0 0 410.062 2.574 50 0 HFAARN COc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012765348 568947801 /nfs/dbraw/zinc/94/78/01/568947801.db2.gz MSXGCENPQBMNRP-UHFFFAOYSA-N 0 0 417.531 2.869 50 0 HFAARN O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(O)cc1 ZINC000084502006 568949702 /nfs/dbraw/zinc/94/97/02/568949702.db2.gz ZKZGUAJXZOHZSD-CVEARBPZSA-N 0 0 408.376 2.941 50 0 HFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004193428 568950664 /nfs/dbraw/zinc/95/06/64/568950664.db2.gz KUTIWEAYVDCLRY-DTDBQYNISA-N 0 0 421.588 2.699 50 0 HFAARN Cc1ccccc1N1CCCn2c3c(nc21)n(C)c(=O)n(CCc1ccccc1)c3=O ZINC000004249411 568954266 /nfs/dbraw/zinc/95/42/66/568954266.db2.gz RTVVDHOBQQDJDN-UHFFFAOYSA-N 0 0 415.497 2.990 50 0 HFAARN COc1ccccc1[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCCC1 ZINC000012776100 568954571 /nfs/dbraw/zinc/95/45/71/568954571.db2.gz KSZKXCAORZQPBL-LJQANCHMSA-N 0 0 402.516 2.666 50 0 HFAARN COCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000004251578 568955408 /nfs/dbraw/zinc/95/54/08/568955408.db2.gz FMTNTZOITQGLHM-GOSISDBHSA-N 0 0 405.451 2.521 50 0 HFAARN CN(C(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O)c1nc2ccccc2s1 ZINC000012778084 568955972 /nfs/dbraw/zinc/95/59/72/568955972.db2.gz JDFXXXPMMQZVLJ-MRXNPFEDSA-N 0 0 401.513 2.646 50 0 HFAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCN(c2ccccc2F)CC1 ZINC000015631367 568956924 /nfs/dbraw/zinc/95/69/24/568956924.db2.gz AQNQEAPTVJYLOA-UHFFFAOYSA-N 0 0 406.417 2.631 50 0 HFAARN O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012781440 568958091 /nfs/dbraw/zinc/95/80/91/568958091.db2.gz SCUIQHCWIACRCR-LJQANCHMSA-N 0 0 418.852 2.532 50 0 HFAARN CCOc1ccc([C@H]2C(C(N)=O)=C(C)N=C3NC(c4ccccc4OC)=NN32)cc1 ZINC000004279796 568958478 /nfs/dbraw/zinc/95/84/78/568958478.db2.gz RJHQTOUAFMQZDF-IBGZPJMESA-N 0 0 405.458 2.531 50 0 HFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C(N)=O)C1 ZINC000004280315 568958690 /nfs/dbraw/zinc/95/86/90/568958690.db2.gz IXRFLCQNYQUIDB-UHFFFAOYSA-N 0 0 403.460 2.623 50 0 HFAARN Cn1c2ncc(C(=O)Nc3ccccc3Oc3ccccc3)cc2c(=O)n(C)c1=O ZINC000012784794 568959549 /nfs/dbraw/zinc/95/95/49/568959549.db2.gz TYNGFWDMCRMQLU-UHFFFAOYSA-N 0 0 402.410 2.677 50 0 HFAARN Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000012786148 568960227 /nfs/dbraw/zinc/96/02/27/568960227.db2.gz GDQXVRWCOKMWGM-CALCHBBNSA-N 0 0 418.515 2.810 50 0 HFAARN C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C/c2ccccc2)C1 ZINC000004314038 568961346 /nfs/dbraw/zinc/96/13/46/568961346.db2.gz DVZNEGHPWFZBIS-BBUPJTBGSA-N 0 0 421.545 2.625 50 0 HFAARN O=C(NCCSc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000004315922 568961954 /nfs/dbraw/zinc/96/19/54/568961954.db2.gz ULCJBZQJIJRLEQ-UHFFFAOYSA-N 0 0 410.455 2.652 50 0 HFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(CC)cc1 ZINC000007978525 568963244 /nfs/dbraw/zinc/96/32/44/568963244.db2.gz QKTRSDIKMLHSGD-UHFFFAOYSA-N 0 0 404.536 2.982 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCn2c(C)csc2=O)c1C ZINC000007983523 568963973 /nfs/dbraw/zinc/96/39/73/568963973.db2.gz FCTWAFLMGJQYMV-ZDUSSCGKSA-N 0 0 408.476 2.545 50 0 HFAARN Cc1cc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)n(-c2ccccc2)n1 ZINC000007986659 568964820 /nfs/dbraw/zinc/96/48/20/568964820.db2.gz ICZGIVVDMOEGEF-UHFFFAOYSA-N 0 0 402.410 2.818 50 0 HFAARN CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000007987310 568965204 /nfs/dbraw/zinc/96/52/04/568965204.db2.gz SJHLYBYEVCEKBR-KRWDZBQOSA-N 0 0 406.533 2.758 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(N3CCCC3)nn21 ZINC000015678722 568966505 /nfs/dbraw/zinc/96/65/05/568966505.db2.gz NYKBSOHLAOHLJD-UHFFFAOYSA-N 0 0 400.870 2.958 50 0 HFAARN Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)N(C)C1CCCCC1)OCC(=O)N2 ZINC000015680408 568967152 /nfs/dbraw/zinc/96/71/52/568967152.db2.gz AIVUMAMSQLPTIX-CQSZACIVSA-N 0 0 408.520 2.669 50 0 HFAARN Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)c12 ZINC000007994952 568967181 /nfs/dbraw/zinc/96/71/81/568967181.db2.gz WCCCDNKOXLKXEH-UHFFFAOYSA-N 0 0 411.270 2.811 50 0 HFAARN Cc1cc(F)ccc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000008011334 568968234 /nfs/dbraw/zinc/96/82/34/568968234.db2.gz RYJLYRHLVAXUTJ-UHFFFAOYSA-N 0 0 401.463 2.934 50 0 HFAARN O=S(=O)(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000008023134 568968938 /nfs/dbraw/zinc/96/89/38/568968938.db2.gz CWUAOAKGLOZMKX-IBGZPJMESA-N 0 0 402.497 2.575 50 0 HFAARN Cc1c(NC(=O)CSc2nnc(NC3CC3)s2)c(=O)n(-c2ccccc2)n1C ZINC000008039862 568970341 /nfs/dbraw/zinc/97/03/41/568970341.db2.gz XYUWJVKKURQWCI-UHFFFAOYSA-N 0 0 416.532 2.641 50 0 HFAARN Cc1nn(CC(=O)Nc2ccccc2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000012795203 568971968 /nfs/dbraw/zinc/97/19/68/568971968.db2.gz ZBFOAJRGKRCQIN-UHFFFAOYSA-N 0 0 404.536 2.868 50 0 HFAARN O=C(Nc1cccc2cccnc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000008090116 568973478 /nfs/dbraw/zinc/97/34/78/568973478.db2.gz YDSMJTJJNOYFPF-UHFFFAOYSA-N 0 0 415.446 2.647 50 0 HFAARN CCN(CC)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000008130192 568975050 /nfs/dbraw/zinc/97/50/50/568975050.db2.gz YVBOXTVVXMGLSO-KRWDZBQOSA-N 0 0 416.547 2.981 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnc2ccccc2n1 ZINC000015712616 568976132 /nfs/dbraw/zinc/97/61/32/568976132.db2.gz HVGYCRXFZLNHTG-UHFFFAOYSA-N 0 0 410.499 2.863 50 0 HFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1 ZINC000015720746 568976407 /nfs/dbraw/zinc/97/64/07/568976407.db2.gz WGGMCYPXXHIYOH-UHFFFAOYSA-N 0 0 419.528 2.893 50 0 HFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)cc21 ZINC000015720698 568976455 /nfs/dbraw/zinc/97/64/55/568976455.db2.gz UKTDUHGCDMRVQO-UHFFFAOYSA-N 0 0 424.475 2.547 50 0 HFAARN CCOc1ccccc1NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O ZINC000015725766 568977861 /nfs/dbraw/zinc/97/78/61/568977861.db2.gz MXJDJZXBUYJEHX-UHFFFAOYSA-N 0 0 421.494 2.616 50 0 HFAARN COc1cc(OC)cc(C(=O)NC(=S)NN2CCCC[C@H]2c2cccnc2)c1 ZINC000001442189 568977992 /nfs/dbraw/zinc/97/79/92/568977992.db2.gz LUHOOCVOKARLML-SFHVURJKSA-N 0 0 400.504 2.845 50 0 biogenic HFAARN CCc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O ZINC000015725798 568978216 /nfs/dbraw/zinc/97/82/16/568978216.db2.gz PUPHWWJZMVMLGC-UHFFFAOYSA-N 0 0 405.495 2.779 50 0 HFAARN Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012803818 568979444 /nfs/dbraw/zinc/97/94/44/568979444.db2.gz SVKIGEXRPWUYEL-HXUWFJFHSA-N 0 0 408.546 2.598 50 0 HFAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000008168614 568979738 /nfs/dbraw/zinc/97/97/38/568979738.db2.gz SGNPEOHRQHZICK-UHFFFAOYSA-N 0 0 410.442 2.510 50 0 HFAARN CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1=O ZINC000012808742 568980572 /nfs/dbraw/zinc/98/05/72/568980572.db2.gz NLTNGPZTJWFTIG-UHFFFAOYSA-N 0 0 411.433 2.933 50 0 HFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Br)cc1 ZINC000008205885 568982524 /nfs/dbraw/zinc/98/25/24/568982524.db2.gz KVIFYLKXTPPVSU-UHFFFAOYSA-N 0 0 408.277 2.516 50 0 HFAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 ZINC000008213062 568982710 /nfs/dbraw/zinc/98/27/10/568982710.db2.gz DZRGUNXQOCMHRT-UHFFFAOYSA-N 0 0 410.521 2.746 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)Nc3nnc(C(C)(C)C)s3)CC2=O)c(OC)c1 ZINC000008217981 568983130 /nfs/dbraw/zinc/98/31/30/568983130.db2.gz NFGCTOHNGHLUNO-LLVKDONJSA-N 0 0 404.492 2.844 50 0 HFAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1OC ZINC000008230346 568983705 /nfs/dbraw/zinc/98/37/05/568983705.db2.gz PPIQMQRPFVABQH-QHCPKHFHSA-N 0 0 423.469 2.598 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000015735708 568984424 /nfs/dbraw/zinc/98/44/24/568984424.db2.gz DMWNCZUNHQEUNU-UHFFFAOYSA-N 0 0 401.488 2.624 50 0 HFAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1Cl ZINC000008232768 568984518 /nfs/dbraw/zinc/98/45/18/568984518.db2.gz RITNABBYGZMILZ-AWEZNQCLSA-N 0 0 421.346 2.622 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)OC)ccc1C ZINC000012811723 568985538 /nfs/dbraw/zinc/98/55/38/568985538.db2.gz XOWXTTVFVDKJOC-HNNXBMFYSA-N 0 0 405.472 2.929 50 0 HFAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 ZINC000012812093 568985942 /nfs/dbraw/zinc/98/59/42/568985942.db2.gz DHOOKCOHYKANBJ-LLVKDONJSA-N 0 0 401.394 2.927 50 0 HFAARN COc1c2c(cc(-c3c4cnn(C(C)C)c4[nH]c4nc(=O)n(C)c3-4)c1OC)OCO2 ZINC000085412551 568986417 /nfs/dbraw/zinc/98/64/17/568986417.db2.gz UOGCVYKIZFHWIJ-UHFFFAOYSA-N 0 0 411.418 2.605 50 0 HFAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000008278384 568987170 /nfs/dbraw/zinc/98/71/70/568987170.db2.gz YKAUYEQBNBOXTP-KRWDZBQOSA-N 0 0 414.531 2.735 50 0 HFAARN Cc1cc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ncn1 ZINC000012000617 568987493 /nfs/dbraw/zinc/98/74/93/568987493.db2.gz QQZWCPOWPLRKOP-CQSZACIVSA-N 0 0 406.533 2.689 50 0 HFAARN O=C(NCCc1ccccc1F)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000012003440 568987531 /nfs/dbraw/zinc/98/75/31/568987531.db2.gz XLMRKTGQPXYCEO-UHFFFAOYSA-N 0 0 410.854 2.518 50 0 HFAARN O=C(CNC(=O)c1cccc(N2CCCC2=O)c1)Nc1ccccc1Br ZINC000008303482 568988212 /nfs/dbraw/zinc/98/82/12/568988212.db2.gz YBFDXNVVYGIHRK-UHFFFAOYSA-N 0 0 416.275 2.944 50 0 HFAARN Cc1noc(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008304823 568988241 /nfs/dbraw/zinc/98/82/41/568988241.db2.gz IBRILKOFPVXVBE-UHFFFAOYSA-N 0 0 413.499 2.520 50 0 HFAARN NC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310450 568988841 /nfs/dbraw/zinc/98/88/41/568988841.db2.gz IPZALEFJGMKMAV-OAHLLOKOSA-N 0 0 401.488 2.784 50 0 HFAARN O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008311982 568988852 /nfs/dbraw/zinc/98/88/52/568988852.db2.gz MZMKDFVVNBZJDQ-KRWDZBQOSA-N 0 0 407.426 2.638 50 0 HFAARN C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H]1C ZINC000008312460 568988965 /nfs/dbraw/zinc/98/89/65/568988965.db2.gz MGLMLZLMGVUYPD-LSDHHAIUSA-N 0 0 416.499 2.844 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)OC ZINC000012815057 568989394 /nfs/dbraw/zinc/98/93/94/568989394.db2.gz SRLGEKUERRKLLH-KPZWWZAWSA-N 0 0 412.417 2.944 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1ccc(-n2cccn2)cc1 ZINC000012816915 568989922 /nfs/dbraw/zinc/98/99/22/568989922.db2.gz WFAJXUHRTCXIMH-FQEVSTJZSA-N 0 0 413.499 2.919 50 0 HFAARN CCc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)c1 ZINC000012816354 568989961 /nfs/dbraw/zinc/98/99/61/568989961.db2.gz OSHCXGDGGOOADO-FQEVSTJZSA-N 0 0 405.498 2.587 50 0 HFAARN CC(=O)N1CCC(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)CC1 ZINC000008328853 568992981 /nfs/dbraw/zinc/99/29/81/568992981.db2.gz MEFSQHVQRCTKGT-UHFFFAOYSA-N 0 0 415.515 2.934 50 0 HFAARN CCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1OC ZINC000008335018 568993167 /nfs/dbraw/zinc/99/31/67/568993167.db2.gz BBKWQYBXDCBWQC-AWEZNQCLSA-N 0 0 415.442 2.899 50 0 HFAARN CN1Cc2ccc(NC(=O)[C@H]3CCC(=O)N3Cc3c[nH]c4ccccc34)cc2C1=O ZINC000223385705 568993185 /nfs/dbraw/zinc/99/31/85/568993185.db2.gz QEVSOVZFSWNYJB-HXUWFJFHSA-N 0 0 402.454 2.883 50 0 HFAARN O=C(NCCn1ncc2c1ncnc2NCc1ccco1)c1c[nH]c2ccccc12 ZINC000038484230 568997007 /nfs/dbraw/zinc/99/70/07/568997007.db2.gz SDTDSCFOOQUOIQ-UHFFFAOYSA-N 0 0 401.430 2.943 50 0 HFAARN CCOc1ccc(-c2nnc(NC(=O)CCN3C(=O)c4ccccc4C3=O)o2)cc1 ZINC000006084890 568997074 /nfs/dbraw/zinc/99/70/74/568997074.db2.gz AXRKTWXGZCGEOQ-UHFFFAOYSA-N 0 0 406.398 2.760 50 0 HFAARN Cn1cc(CC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c2ccccc21 ZINC000038488374 568997497 /nfs/dbraw/zinc/99/74/97/568997497.db2.gz VIOHMMSLKMBGAQ-UHFFFAOYSA-N 0 0 418.545 2.850 50 0 HFAARN COc1ccccc1CNC(=O)CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O ZINC000015775376 568999556 /nfs/dbraw/zinc/99/95/56/568999556.db2.gz FMMXWGXKRGCKCY-UHFFFAOYSA-N 0 0 424.888 2.984 50 0 HFAARN O=C(NCc1ccco1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000013013364 569050881 /nfs/dbraw/zinc/05/08/81/569050881.db2.gz JGQUEPRNLMEJSB-HNNXBMFYSA-N 0 0 413.293 2.512 50 0 HFAARN Cc1ccc(C)c(-n2nnnc2S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000006098743 569001439 /nfs/dbraw/zinc/00/14/39/569001439.db2.gz ZUUQMMLVCRZCHA-CQSZACIVSA-N 0 0 411.487 2.805 50 0 HFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCCC1=CCCCC1 ZINC000008428052 569002238 /nfs/dbraw/zinc/00/22/38/569002238.db2.gz KZRCVLMXOOFGLF-UHFFFAOYSA-N 0 0 409.577 2.965 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000067197190 569003155 /nfs/dbraw/zinc/00/31/55/569003155.db2.gz SGQVJCVFSMBMPW-UHFFFAOYSA-N 0 0 417.421 2.646 50 0 HFAARN O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccc2c(c1)OCO2 ZINC000067206971 569003517 /nfs/dbraw/zinc/00/35/17/569003517.db2.gz XWQQRMUBNGJDSM-UHFFFAOYSA-N 0 0 408.801 2.823 50 0 HFAARN COCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C ZINC000067217125 569003804 /nfs/dbraw/zinc/00/38/04/569003804.db2.gz QHWNHZZCJHZHIW-UHFFFAOYSA-N 0 0 403.529 2.919 50 0 HFAARN CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1 ZINC000015784449 569003841 /nfs/dbraw/zinc/00/38/41/569003841.db2.gz STDCMXKMDSDVJW-GOSISDBHSA-N 0 0 421.563 2.510 50 0 HFAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)n21 ZINC000067226676 569004156 /nfs/dbraw/zinc/00/41/56/569004156.db2.gz KRVQOIIVSAVECA-UHFFFAOYSA-N 0 0 421.888 2.879 50 0 HFAARN CC(=O)c1cccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c1 ZINC000067226674 569004191 /nfs/dbraw/zinc/00/41/91/569004191.db2.gz QFLIQKONUQPNPF-UHFFFAOYSA-N 0 0 401.426 2.708 50 0 HFAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)NCCCc3ccccc3)c(=O)n21 ZINC000067235175 569004305 /nfs/dbraw/zinc/00/43/05/569004305.db2.gz AMHFQWVHMDRGJA-UHFFFAOYSA-N 0 0 401.470 2.615 50 0 HFAARN Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NS(C)(=O)=O ZINC000013683100 569004897 /nfs/dbraw/zinc/00/48/97/569004897.db2.gz PAXJWWACVOENFS-RMKNXTFCSA-N 0 0 413.543 2.838 50 0 HFAARN Cc1ccc(C(=O)NCCNc2ncc(Cl)cc2Cl)cc1S(C)(=O)=O ZINC000053262981 569005135 /nfs/dbraw/zinc/00/51/35/569005135.db2.gz KSRVUQNNARCHFF-UHFFFAOYSA-N 0 0 402.303 2.942 50 0 HFAARN COc1cccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1 ZINC000085653932 569006200 /nfs/dbraw/zinc/00/62/00/569006200.db2.gz OPNWUMIOYJWYAY-UHFFFAOYSA-N 0 0 404.470 2.594 50 0 HFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)c1 ZINC000012824425 569007844 /nfs/dbraw/zinc/00/78/44/569007844.db2.gz KWJVSQUJCCNVNZ-UHFFFAOYSA-N 0 0 408.451 2.555 50 0 HFAARN CC[C@H](C)[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2)N1Cc2ccccc2C1=O ZINC000583652782 569009365 /nfs/dbraw/zinc/00/93/65/569009365.db2.gz NTGPNCMXWUAFIH-FTHMDGTMSA-N 0 0 423.557 2.917 50 0 biogenic HFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2O1 ZINC000085874710 569009479 /nfs/dbraw/zinc/00/94/79/569009479.db2.gz DQZZSBADVBDGNP-FPTDNZKUSA-N 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ZINC000015843145 569013938 /nfs/dbraw/zinc/01/39/38/569013938.db2.gz NQVCQLHKKABPJI-UHFFFAOYSA-N 0 0 400.500 2.752 50 0 HFAARN CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012879398 569014334 /nfs/dbraw/zinc/01/43/34/569014334.db2.gz PJJKAEGLTPETAW-ZDUSSCGKSA-N 0 0 421.446 2.763 50 0 HFAARN COc1ccc(C)cc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl ZINC000015858276 569014778 /nfs/dbraw/zinc/01/47/78/569014778.db2.gz WHNZXBPUXWZGDX-UHFFFAOYSA-N 0 0 408.863 2.976 50 0 HFAARN O=C(NC1CCCCCCC1)c1ccc(Cn2c(=O)c(=O)[nH]c3cccnc32)cc1 ZINC000015861054 569015488 /nfs/dbraw/zinc/01/54/88/569015488.db2.gz QZQOCALXEMGXFG-UHFFFAOYSA-N 0 0 406.486 2.976 50 0 HFAARN Cc1c(S(=O)(=O)N2CCc3ccccc3C2)cc(C(=O)N2CCC(C)CC2)n1C ZINC000015863290 569016078 /nfs/dbraw/zinc/01/60/78/569016078.db2.gz JWGHIFARXMQHGL-UHFFFAOYSA-N 0 0 415.559 2.953 50 0 HFAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000006168429 569016098 /nfs/dbraw/zinc/01/60/98/569016098.db2.gz QJGIFZMUPNATJC-QWHCGFSZSA-N 0 0 403.342 2.765 50 0 HFAARN O=C(CSc1nnc2ccc(-c3ccccc3)nn21)NCc1ccc2c(c1)OCO2 ZINC000015881691 569018824 /nfs/dbraw/zinc/01/88/24/569018824.db2.gz UWTZFUJIULZPQJ-UHFFFAOYSA-N 0 0 419.466 2.929 50 0 HFAARN COc1ccccc1-c1nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(=S)o1 ZINC000012884419 569019433 /nfs/dbraw/zinc/01/94/33/569019433.db2.gz BLOFPJMOOUEOMT-AWEZNQCLSA-N 0 0 411.549 2.984 50 0 HFAARN COc1cc2c(c3oc(=O)c(CC(=O)NC(C)(C)CO)c(C)c13)CCC(C)(C)O2 ZINC000012899792 569020594 /nfs/dbraw/zinc/02/05/94/569020594.db2.gz CDJFZLNNWUGSKV-UHFFFAOYSA-N 0 0 403.475 2.643 50 0 biogenic HFAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3ccc(O)cc3oc1=O)CC2 ZINC000012900972 569020701 /nfs/dbraw/zinc/02/07/01/569020701.db2.gz YOPLCFZUZGEEBP-UHFFFAOYSA-N 0 0 409.438 2.952 50 0 biogenic HFAARN COc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1S(N)(=O)=O ZINC000012905268 569020871 /nfs/dbraw/zinc/02/08/71/569020871.db2.gz LLCDKHCWXCDYGK-UHFFFAOYSA-N 0 0 403.460 2.655 50 0 HFAARN CNS(=O)(=O)c1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)ccc1OC ZINC000012910242 569021461 /nfs/dbraw/zinc/02/14/61/569021461.db2.gz CDGZVBYXCOKQET-UHFFFAOYSA-N 0 0 406.548 2.940 50 0 HFAARN CC[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000012910658 569021550 /nfs/dbraw/zinc/02/15/50/569021550.db2.gz NTWWWJCBDAXQHR-KRWDZBQOSA-N 0 0 407.561 2.960 50 0 HFAARN O=C(CCn1ncc(=O)c2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000012908835 569021652 /nfs/dbraw/zinc/02/16/52/569021652.db2.gz YMMZCMBCPZTMON-UHFFFAOYSA-N 0 0 413.861 2.918 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1OC ZINC000012912250 569021788 /nfs/dbraw/zinc/02/17/88/569021788.db2.gz NXPAUGWHFLCMQW-UHFFFAOYSA-N 0 0 401.488 2.769 50 0 HFAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000012912984 569022245 /nfs/dbraw/zinc/02/22/45/569022245.db2.gz BCCVXLBLEHBBLJ-UHFFFAOYSA-N 0 0 410.467 2.542 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012917144 569022430 /nfs/dbraw/zinc/02/24/30/569022430.db2.gz DCCWXQZMYQNKOH-UHFFFAOYSA-N 0 0 422.572 2.986 50 0 HFAARN CC[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1cc(C)on1 ZINC000012925329 569023698 /nfs/dbraw/zinc/02/36/98/569023698.db2.gz GDGJOYQEGQKOGJ-ORAYPTAESA-N 0 0 401.444 2.872 50 0 HFAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1)c1ccccc1 ZINC000015942387 569024244 /nfs/dbraw/zinc/02/42/44/569024244.db2.gz KMLLVZXSZHLJHM-HLNWXESRSA-N 0 0 407.580 2.799 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000012934266 569025780 /nfs/dbraw/zinc/02/57/80/569025780.db2.gz CAAKTGKTSHRHKR-UHFFFAOYSA-N 0 0 417.892 2.828 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012939062 569028122 /nfs/dbraw/zinc/02/81/22/569028122.db2.gz HXCZVFFJDAQAPZ-UHFFFAOYSA-N 0 0 422.528 2.639 50 0 HFAARN O=C(NCc1ccccc1)C1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000012942625 569028760 /nfs/dbraw/zinc/02/87/60/569028760.db2.gz SDCIPSJDYZVUHA-LJQANCHMSA-N 0 0 409.486 2.564 50 0 HFAARN O=C(NCc1ccnc(N2CCCC2)c1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000575608635 569032223 /nfs/dbraw/zinc/03/22/23/569032223.db2.gz GWYXEQHQNSQYNZ-UHFFFAOYSA-N 0 0 414.513 2.891 50 0 HFAARN O=S(=O)(NCCn1cc(-c2ccncc2)cn1)c1ccccc1Br ZINC000575612574 569032568 /nfs/dbraw/zinc/03/25/68/569032568.db2.gz HNSPAFKPJWRHSK-UHFFFAOYSA-N 0 0 407.293 2.686 50 0 HFAARN O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1cncc(Br)c1 ZINC000575613916 569032701 /nfs/dbraw/zinc/03/27/01/569032701.db2.gz YBZTVIZQLSVVMI-IBGZPJMESA-N 0 0 405.292 2.888 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nccc(C)n2)ccc1C ZINC000006205246 569032892 /nfs/dbraw/zinc/03/28/92/569032892.db2.gz HTHDYPHNEWXNCU-UHFFFAOYSA-N 0 0 408.549 2.855 50 0 HFAARN CC(=O)c1ccc(OCC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000026548666 569032998 /nfs/dbraw/zinc/03/29/98/569032998.db2.gz PMHZMPJETBBNJH-UHFFFAOYSA-N 0 0 400.862 2.906 50 0 HFAARN CC(C)c1ccc(-n2nnnc2SC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000026558071 569033026 /nfs/dbraw/zinc/03/30/26/569033026.db2.gz APSFZEKAMZJBCR-MRXNPFEDSA-N 0 0 423.498 2.535 50 0 HFAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1 ZINC000035338854 569033123 /nfs/dbraw/zinc/03/31/23/569033123.db2.gz LJCMIAQZOVGZBI-RTBURBONSA-N 0 0 421.607 2.907 50 0 HFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccccc1OC(F)F ZINC000006229609 569033615 /nfs/dbraw/zinc/03/36/15/569033615.db2.gz LTKXKBOPEKWWRH-HXUWFJFHSA-N 0 0 401.369 2.620 50 0 HFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccc(F)cc4)CC3)C(=O)C2=O)cc1 ZINC000035376573 569034341 /nfs/dbraw/zinc/03/43/41/569034341.db2.gz OVSHSZRMWUAOKL-UHFFFAOYSA-N 0 0 423.488 2.610 50 0 HFAARN CCc1ccc(S(=O)(=O)Nc2cnc(N(CC)CC[NH+](C)C)c(C(=O)[O-])c2)cc1 ZINC000035397476 569034910 /nfs/dbraw/zinc/03/49/10/569034910.db2.gz NUYWBQSJMYDWAC-UHFFFAOYSA-N 0 0 420.535 2.531 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)CN3c4ccccc4C(C)(C)C3=O)CC2)cc1 ZINC000035398843 569034984 /nfs/dbraw/zinc/03/49/84/569034984.db2.gz KOAJIDLAXHLPDT-UHFFFAOYSA-N 0 0 405.498 2.862 50 0 HFAARN O=C(c1csc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCC1 ZINC000035405099 569035804 /nfs/dbraw/zinc/03/58/04/569035804.db2.gz NNSJKPFUFRSTSO-UHFFFAOYSA-N 0 0 423.535 2.634 50 0 HFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC1=CCCCC1)C(=O)CS2 ZINC000035402862 569035918 /nfs/dbraw/zinc/03/59/18/569035918.db2.gz UFWJJOMJADUBMM-UHFFFAOYSA-N 0 0 401.532 2.834 50 0 HFAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000575615452 569036277 /nfs/dbraw/zinc/03/62/77/569036277.db2.gz FUYIETMDZAHWNI-UHFFFAOYSA-N 0 0 410.904 2.802 50 0 HFAARN COc1ccc(OC)c(CNC(=O)CCn2cnc3c4ccccc4[nH]c3c2=O)c1 ZINC000035424165 569036491 /nfs/dbraw/zinc/03/64/91/569036491.db2.gz POBPQWYRXAYUEO-UHFFFAOYSA-N 0 0 406.442 2.602 50 0 HFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)ccc2=O)cc1 ZINC000035426642 569036588 /nfs/dbraw/zinc/03/65/88/569036588.db2.gz DRVNUAFOGDUJQI-UHFFFAOYSA-N 0 0 413.481 2.985 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000035428478 569036635 /nfs/dbraw/zinc/03/66/35/569036635.db2.gz YSKVDEPWIGJQKU-UHFFFAOYSA-N 0 0 407.923 2.958 50 0 HFAARN Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccccc4C)CC3)NC2=O)cc1C ZINC000035430717 569036767 /nfs/dbraw/zinc/03/67/67/569036767.db2.gz JLJKYOHQDPJOIN-UHFFFAOYSA-N 0 0 404.514 2.962 50 0 biogenic HFAARN O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616224 569036871 /nfs/dbraw/zinc/03/68/71/569036871.db2.gz ICKMWODHJATJTF-OAHLLOKOSA-N 0 0 401.422 2.980 50 0 HFAARN Cc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)NC2=O)c1 ZINC000035432541 569036969 /nfs/dbraw/zinc/03/69/69/569036969.db2.gz OJVVCNWZGFGMJZ-UHFFFAOYSA-N 0 0 411.527 2.712 50 0 HFAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000575617017 569037160 /nfs/dbraw/zinc/03/71/60/569037160.db2.gz MGJDUZGASZMQTL-UHFFFAOYSA-N 0 0 406.471 2.720 50 0 HFAARN COc1c(F)c(F)cc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1F ZINC000575617285 569037288 /nfs/dbraw/zinc/03/72/88/569037288.db2.gz RZSPXRYYQFIIKE-ZETCQYMHSA-N 0 0 408.302 2.759 50 0 HFAARN CCn1ccc2ccn(CCNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c21 ZINC000575617650 569037515 /nfs/dbraw/zinc/03/75/15/569037515.db2.gz QGDRPXCSOCTVGS-QGZVFWFLSA-N 0 0 416.522 2.586 50 0 HFAARN O=C1CCCN1c1cc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)ccn1 ZINC000575618913 569038248 /nfs/dbraw/zinc/03/82/48/569038248.db2.gz JQFIKKZOYFWQPC-UHFFFAOYSA-N 0 0 415.393 2.586 50 0 HFAARN O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000575619274 569038622 /nfs/dbraw/zinc/03/86/22/569038622.db2.gz JHHSYDQABQIBCT-UHFFFAOYSA-N 0 0 405.424 2.745 50 0 HFAARN O=C(CN1CCN(c2cc3c(nn2)CCC3)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000575620383 569038833 /nfs/dbraw/zinc/03/88/33/569038833.db2.gz QNCCYQJDNKWNFP-UHFFFAOYSA-N 0 0 421.423 2.625 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 ZINC000575621143 569038974 /nfs/dbraw/zinc/03/89/74/569038974.db2.gz YGDUIJQTUYWLCF-INIZCTEOSA-N 0 0 417.512 2.605 50 0 HFAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]3C)C2=O)cc(OC)c1OC ZINC000229450821 569040519 /nfs/dbraw/zinc/04/05/19/569040519.db2.gz MQSBRRYKZXDKEO-JVYTYZJESA-N 0 0 420.487 2.521 50 0 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/nfs/dbraw/zinc/04/37/25/569043725.db2.gz QPXQDWNKXLYTPZ-ZDUSSCGKSA-N 0 0 400.460 2.659 50 0 HFAARN CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000006334666 569044225 /nfs/dbraw/zinc/04/42/25/569044225.db2.gz KKNDYTPYJFGXKQ-UHFFFAOYSA-N 0 0 405.545 2.789 50 0 HFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3ccc(F)cc3)c(C)s2)no1 ZINC000035556325 569044711 /nfs/dbraw/zinc/04/47/11/569044711.db2.gz BHWDGWCNKCOKST-UHFFFAOYSA-N 0 0 424.479 2.725 50 0 HFAARN Cc1sc2nc([C@@H](C)OC(=O)CN3C(=O)c4ccccc4C3=O)[nH]c(=O)c2c1C ZINC000006354397 569045215 /nfs/dbraw/zinc/04/52/15/569045215.db2.gz URVDEUWWQDTDTM-SNVBAGLBSA-N 0 0 411.439 2.502 50 0 HFAARN CC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O ZINC000035590671 569045419 /nfs/dbraw/zinc/04/54/19/569045419.db2.gz ASXWGLWZJWFJBE-UHFFFAOYSA-N 0 0 415.494 2.784 50 0 HFAARN O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(Cc2ccccc2)CC1 ZINC000035592790 569045467 /nfs/dbraw/zinc/04/54/67/569045467.db2.gz IKVFVZQDJBSCKX-UHFFFAOYSA-N 0 0 419.481 3.000 50 0 HFAARN 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Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4nnc5cccc(C)n54)C3)CC2)c1 ZINC000065312871 569222252 /nfs/dbraw/zinc/22/22/52/569222252.db2.gz FLTNTHRUPBXCEQ-FQEVSTJZSA-N 0 0 418.545 2.911 50 0 HFAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4cccnc4)nc32)cc1 ZINC000065314364 569223229 /nfs/dbraw/zinc/22/32/29/569223229.db2.gz XPEVPFMVKBYEHX-UHFFFAOYSA-N 0 0 422.514 2.947 50 0 HFAARN O=C(COC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NCC(F)(F)F ZINC000036773053 569227773 /nfs/dbraw/zinc/22/77/73/569227773.db2.gz ZBBGGXPBQODFGP-GJZGRUSLSA-N 0 0 412.408 2.604 50 0 HFAARN CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000007211503 569228870 /nfs/dbraw/zinc/22/88/70/569228870.db2.gz DCYHJTYEONPLCJ-UHFFFAOYSA-N 0 0 414.845 2.876 50 0 HFAARN C[C@@H](NC(=O)CN1CCCSc2ccccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000007218415 569229106 /nfs/dbraw/zinc/22/91/06/569229106.db2.gz FXNNCZYSXAUZFK-CQSZACIVSA-N 0 0 405.545 2.514 50 0 HFAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007269155 569231125 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CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 ZINC000007405370 569236820 /nfs/dbraw/zinc/23/68/20/569236820.db2.gz VVSLRYFSEPBBDX-UHFFFAOYSA-N 0 0 404.460 2.796 50 0 HFAARN CCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)c(CC)c(=O)[nH]2)cc1 ZINC000007422096 569237621 /nfs/dbraw/zinc/23/76/21/569237621.db2.gz DRHQDQWLDRAQOD-UHFFFAOYSA-N 0 0 411.462 2.551 50 0 HFAARN Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1 ZINC000007428200 569238545 /nfs/dbraw/zinc/23/85/45/569238545.db2.gz JJXZQJHMDKFXSB-UHFFFAOYSA-N 0 0 403.485 2.656 50 0 HFAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O ZINC000007443288 569239223 /nfs/dbraw/zinc/23/92/23/569239223.db2.gz QIOIKKSSXGHNAV-IERDGZPVSA-N 0 0 412.515 2.774 50 0 HFAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)[C@@H]1COc2ccccc2O1 ZINC000007466791 569239928 /nfs/dbraw/zinc/23/99/28/569239928.db2.gz KXSHNCHFHDZSHT-SFHVURJKSA-N 0 0 408.410 2.684 50 0 HFAARN CCOc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)Nc1ccccc1O)C(C)C ZINC000170593722 569241095 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569247982 /nfs/dbraw/zinc/24/79/82/569247982.db2.gz AWYAZKDUDBUPKS-UHFFFAOYSA-N 0 0 412.486 2.894 50 0 HFAARN O=C(N[C@H]1C[C@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 ZINC000170621654 569248410 /nfs/dbraw/zinc/24/84/10/569248410.db2.gz WBBMUUOWMOLDGE-HOCLYGCPSA-N 0 0 402.296 2.627 50 0 HFAARN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 ZINC000170621656 569248425 /nfs/dbraw/zinc/24/84/25/569248425.db2.gz WBBMUUOWMOLDGE-GOEBONIOSA-N 0 0 402.296 2.627 50 0 HFAARN C[C@H]1Oc2c(cccc2C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)NC1=O ZINC000170621576 569248446 /nfs/dbraw/zinc/24/84/46/569248446.db2.gz HGSSTRGNLQQMIM-OAHLLOKOSA-N 0 0 409.442 2.753 50 0 HFAARN CN(C)C(=O)c1nnn(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000071000061 569251042 /nfs/dbraw/zinc/25/10/42/569251042.db2.gz QMVAGYLULVFVHC-UHFFFAOYSA-N 0 0 404.352 2.635 50 0 HFAARN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000071283665 569252004 /nfs/dbraw/zinc/25/20/04/569252004.db2.gz NOMYWYJENUGTQQ-MRXNPFEDSA-N 0 0 416.909 2.582 50 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/nfs/dbraw/zinc/35/74/28/569357428.db2.gz WGLAEZLJNVFTKX-SFHVURJKSA-N 0 0 403.276 2.720 50 0 HFAARN Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000230513311 569359737 /nfs/dbraw/zinc/35/97/37/569359737.db2.gz JVVGPHZFULPQQG-UHFFFAOYSA-N 0 0 408.907 2.884 50 0 HFAARN COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)cc1OC ZINC000002281646 569364117 /nfs/dbraw/zinc/36/41/17/569364117.db2.gz NEUZVZZGGGAALF-OAQYLSRUSA-N 0 0 407.470 2.739 50 0 HFAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000253370565 569364747 /nfs/dbraw/zinc/36/47/47/569364747.db2.gz SNRJLFRKZDKRJP-IAOVAPTHSA-N 0 0 400.928 2.666 50 0 HFAARN CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1C(=O)CCCOc1ccccc1OCC ZINC000253392316 569365002 /nfs/dbraw/zinc/36/50/02/569365002.db2.gz VJVQEDUDSAKFTJ-CALCHBBNSA-N 0 0 421.490 2.730 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)n1 ZINC000253394151 569365080 /nfs/dbraw/zinc/36/50/80/569365080.db2.gz AMBKWXAFEAPEJW-GFCCVEGCSA-N 0 0 411.867 2.717 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CCOC(=O)c1sc2ncn(C[C@@H](O)COCc3ccccc3F)c(=O)c2c1C ZINC000032854253 521619560 /nfs/dbraw/zinc/61/95/60/521619560.db2.gz ANXCMAPRKPFBJX-CQSZACIVSA-N 0 0 420.462 2.660 50 0 HFAARN CCNC(=O)CN1CCCN(C(=O)c2ccccc2C(=O)c2ccc(C)cc2)CC1 ZINC000056925662 521736912 /nfs/dbraw/zinc/73/69/12/521736912.db2.gz ZTNHGWZRMUQKBT-UHFFFAOYSA-N 0 0 407.514 2.510 50 0 HFAARN CCc1cccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c1 ZINC000032946556 521754892 /nfs/dbraw/zinc/75/48/92/521754892.db2.gz DLFVNIDMGROYBV-UHFFFAOYSA-N 0 0 404.517 2.514 50 0 HFAARN CCc1cccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 ZINC000024761191 521774238 /nfs/dbraw/zinc/77/42/38/521774238.db2.gz SQUPVORBTCLDQD-INIZCTEOSA-N 0 0 409.486 2.850 50 0 HFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)N2CCCCCC2)cc1 ZINC000032760590 521811286 /nfs/dbraw/zinc/81/12/86/521811286.db2.gz PWTSBTTWVPLARX-UHFFFAOYSA-N 0 0 405.520 2.762 50 0 HFAARN CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 ZINC000032795931 521903406 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COc1ccc(CNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)c(OC)c1 ZINC000041254467 524048801 /nfs/dbraw/zinc/04/88/01/524048801.db2.gz AYIPZXIREIYZHS-UHFFFAOYSA-N 0 0 407.470 2.942 50 0 HFAARN COCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)c(F)cc2F)cc1C ZINC000032831077 524051841 /nfs/dbraw/zinc/05/18/41/524051841.db2.gz YYNHZYMMRQKKKG-UHFFFAOYSA-N 0 0 415.414 2.886 50 0 HFAARN Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2CC(N)=O)c1 ZINC000032741949 524125416 /nfs/dbraw/zinc/12/54/16/524125416.db2.gz GRESICCUTRPGDU-HOCLYGCPSA-N 0 0 401.536 2.526 50 0 HFAARN COc1ccc(Cc2nn(CN(CC(=O)N(C)C)CC(F)(F)F)c(=S)o2)cc1 ZINC000032926908 524165998 /nfs/dbraw/zinc/16/59/98/524165998.db2.gz SUIOCOZEOQOWGX-UHFFFAOYSA-N 0 0 418.441 2.715 50 0 HFAARN COc1ccc(F)cc1C(=O)COC(=O)C1CCN(C(=O)NCc2ccco2)CC1 ZINC000032937791 524298583 /nfs/dbraw/zinc/29/85/83/524298583.db2.gz UGOXYWHIKAAJGZ-UHFFFAOYSA-N 0 0 418.421 2.775 50 0 HFAARN Cc1cc(C)cc(-n2ncc3c2NC(=O)C[C@@]32c3ccccc3N(CC(N)=O)C2=O)c1 ZINC000032088350 524358840 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Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)s2)cc1F ZINC000031955975 524693312 /nfs/dbraw/zinc/69/33/12/524693312.db2.gz MBDBEKKKZTYCHD-INIZCTEOSA-N 0 0 411.524 2.934 50 0 HFAARN Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)COc3ccccc3)CC2)cc1C ZINC000043941726 525000041 /nfs/dbraw/zinc/00/00/41/525000041.db2.gz JWWISTUPADYHRD-UHFFFAOYSA-N 0 0 423.513 2.676 50 0 HFAARN CS(=O)(=O)Cc1ccc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000032895102 525142377 /nfs/dbraw/zinc/14/23/77/525142377.db2.gz NAFWYDGCADVFKM-UHFFFAOYSA-N 0 0 420.418 2.689 50 0 HFAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000032820927 525174009 /nfs/dbraw/zinc/17/40/09/525174009.db2.gz MCRDABDUWXFAJJ-LJQANCHMSA-N 0 0 423.469 2.755 50 0 HFAARN CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2F)cc1 ZINC000044661802 525219757 /nfs/dbraw/zinc/21/97/57/525219757.db2.gz FWUSJWYAFQBOGN-UHFFFAOYSA-N 0 0 401.257 2.890 50 0 HFAARN CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000032759175 525272875 /nfs/dbraw/zinc/27/28/75/525272875.db2.gz GXALCVDHVAXJQC-AWEZNQCLSA-N 0 0 415.558 2.522 50 0 HFAARN COc1ccc([C@H](CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)N2CCOCC2)cc1 ZINC000024759880 525355195 /nfs/dbraw/zinc/35/51/95/525355195.db2.gz OSSYYJDLYMCDKR-LHRVCSDGSA-N 0 0 423.513 2.857 50 0 HFAARN C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000032376156 525359274 /nfs/dbraw/zinc/35/92/74/525359274.db2.gz STPDKHCKKPUYKF-RHSMWYFYSA-N 0 0 421.950 2.710 50 0 HFAARN COc1ccc([C@H](NC(=O)CN2CCN(Cc3cc(C)on3)CC2)C(C)C)cc1 ZINC000032857880 525365603 /nfs/dbraw/zinc/36/56/03/525365603.db2.gz IURISRKXNSVNGW-JOCHJYFZSA-N 0 0 400.523 2.623 50 0 HFAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000032836647 525413725 /nfs/dbraw/zinc/41/37/25/525413725.db2.gz CPBJUZVHRNQVIR-QGZVFWFLSA-N 0 0 408.545 2.826 50 0 HFAARN Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 ZINC000032754190 525443185 /nfs/dbraw/zinc/44/31/85/525443185.db2.gz YAKFYQHWHPHHKS-UHFFFAOYSA-N 0 0 420.425 2.705 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)c3nc(CC(=O)Nc4ccccc4)no3)c2c1 ZINC000032124284 525494378 /nfs/dbraw/zinc/49/43/78/525494378.db2.gz VPJXDUHQHILDOS-UHFFFAOYSA-N 0 0 419.441 2.713 50 0 biogenic HFAARN C[C@@H]1Cc2cc(-c3csc(CCN4CCOC4=O)n3)ccc2N1S(C)(=O)=O ZINC000032927806 525514689 /nfs/dbraw/zinc/51/46/89/525514689.db2.gz VFSICWAHBGHVNV-GFCCVEGCSA-N 0 0 407.517 2.515 50 0 HFAARN Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(NCCCN3CCOCC3)c12 ZINC000020598351 525554029 /nfs/dbraw/zinc/55/40/29/525554029.db2.gz JYYOAKVPRBWWRL-UHFFFAOYSA-N 0 0 405.568 2.862 50 0 HFAARN Cc1c(C(=O)NCCn2nc(-c3cccs3)ccc2=O)cnn1-c1ccccc1 ZINC000043999840 525619946 /nfs/dbraw/zinc/61/99/46/525619946.db2.gz GRILLIBGGQDZEL-UHFFFAOYSA-N 0 0 405.483 2.896 50 0 HFAARN COc1ccc2cnn(CC(=O)Nc3cccc(Br)c3)c(=O)c2c1OC ZINC000032074950 525655969 /nfs/dbraw/zinc/65/59/69/525655969.db2.gz JYZVVYKOGGTGAG-UHFFFAOYSA-N 0 0 418.247 2.815 50 0 HFAARN Cc1cc2ncnn2c(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000032853443 525685294 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COc1ccc(CCNS(=O)(=O)c2cc(OC)c(Cl)cc2OC)cc1OC ZINC000011613836 558264596 /nfs/dbraw/zinc/26/45/96/558264596.db2.gz FZHKVAWTBLEFRW-UHFFFAOYSA-N 0 0 415.895 2.895 50 0 HFAARN CC(C)S(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1CCc1ccccc1 ZINC000011663959 558267550 /nfs/dbraw/zinc/26/75/50/558267550.db2.gz UVVRNTDMJHFFDW-UHFFFAOYSA-N 0 0 415.563 2.673 50 0 HFAARN Cc1cc(I)ccc1NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000011690483 558269945 /nfs/dbraw/zinc/26/99/45/558269945.db2.gz CYPGDVJHZGGEMW-UHFFFAOYSA-N 0 0 405.199 2.828 50 0 HFAARN COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)c1 ZINC000011764636 558273584 /nfs/dbraw/zinc/27/35/84/558273584.db2.gz WRYIVPVQUDUABF-SFHVURJKSA-N 0 0 407.470 2.960 50 0 HFAARN CCN(CC)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)C1 ZINC000011785690 558275963 /nfs/dbraw/zinc/27/59/63/558275963.db2.gz IROFMTIUASKAKV-GOSISDBHSA-N 0 0 420.513 2.963 50 0 HFAARN COCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@H]1CCCO1 ZINC000011786698 558276263 /nfs/dbraw/zinc/27/62/63/558276263.db2.gz 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O=C(CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1)NCc1ccc(F)c(F)c1 ZINC000014981651 558691900 /nfs/dbraw/zinc/69/19/00/558691900.db2.gz XPTOJWKHZZZGKC-INIZCTEOSA-N 0 0 419.476 2.672 50 0 HFAARN CC[C@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000014986667 558693171 /nfs/dbraw/zinc/69/31/71/558693171.db2.gz COZWZOUXEXQADF-KRWDZBQOSA-N 0 0 403.486 2.806 50 0 HFAARN COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)[C@H]4CCOC4)c3C)n2)c1 ZINC000014990400 558694015 /nfs/dbraw/zinc/69/40/15/558694015.db2.gz LYLYYKYXXICFAV-HNNXBMFYSA-N 0 0 423.473 2.516 50 0 HFAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)n2)c1 ZINC000014992728 558695073 /nfs/dbraw/zinc/69/50/73/558695073.db2.gz KSOFTOCPFQKTSK-UHFFFAOYSA-N 0 0 418.501 2.603 50 0 HFAARN COc1cccc(CNC(=O)Cn2cc(NC(=O)CSc3ccccc3)cn2)c1 ZINC000014993434 558695263 /nfs/dbraw/zinc/69/52/63/558695263.db2.gz GEVPJNZZOQXHHY-UHFFFAOYSA-N 0 0 410.499 2.939 50 0 HFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(SC)c1 ZINC000015019296 558703054 /nfs/dbraw/zinc/70/30/54/558703054.db2.gz HDEOBYZEMMZWIT-UHFFFAOYSA-N 0 0 407.565 2.583 50 0 HFAARN COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000015069770 558711828 /nfs/dbraw/zinc/71/18/28/558711828.db2.gz DNYSWLKEDYYTOY-OAHLLOKOSA-N 0 0 411.380 2.532 50 0 HFAARN O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1)c1cccnc1 ZINC000015071047 558712724 /nfs/dbraw/zinc/71/27/24/558712724.db2.gz JFAFLBUOSRODLY-ZDUSSCGKSA-N 0 0 411.886 2.705 50 0 HFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@H](CCCO)C2)n1CCc1ccccc1 ZINC000015073719 558714503 /nfs/dbraw/zinc/71/45/03/558714503.db2.gz KGDJZIMRQKDHPX-HXUWFJFHSA-N 0 0 419.591 2.904 50 0 HFAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC000015074063 558714782 /nfs/dbraw/zinc/71/47/82/558714782.db2.gz JCGUSNZDBCEYEI-HXUWFJFHSA-N 0 0 419.876 2.886 50 0 HFAARN O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(I)cc1 ZINC000029464160 558715601 /nfs/dbraw/zinc/71/56/01/558715601.db2.gz MIJPIZHGDOBLHG-UHFFFAOYSA-N 0 0 411.228 2.645 50 0 HFAARN 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Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000003464724 558780310 /nfs/dbraw/zinc/78/03/10/558780310.db2.gz KRXFKWFWPKBELF-UYAOXDASSA-N 0 0 402.516 2.700 50 0 HFAARN Cc1cc(Cl)c(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC(N)=O ZINC000005013870 558781292 /nfs/dbraw/zinc/78/12/92/558781292.db2.gz HXEHSFMOIMQABS-UHFFFAOYSA-N 0 0 412.939 2.760 50 0 HFAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)COC3=O)c(C(C)C)cc1-n1cnnn1 ZINC000016268209 558782498 /nfs/dbraw/zinc/78/24/98/558782498.db2.gz FQAPRSJEELSPQU-UHFFFAOYSA-N 0 0 407.430 2.782 50 0 HFAARN O=S(=O)(c1cccc(Br)c1)N1CCN(CCc2ccccc2)CC1 ZINC000034870440 558786245 /nfs/dbraw/zinc/78/62/45/558786245.db2.gz ITMYUZJCWGYLKK-UHFFFAOYSA-N 0 0 409.349 2.998 50 0 HFAARN COc1ccc([C@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)c2nccn2C)cc1 ZINC000016476401 558793323 /nfs/dbraw/zinc/79/33/23/558793323.db2.gz USDQXJKBLMUKCU-INIZCTEOSA-N 0 0 423.498 2.565 50 0 HFAARN COc1cc([C@H]2CN(C(=O)NC(C)C)C[C@H]2C(=O)NCC(C)C)cc(OC)c1OC ZINC000036044626 558796963 /nfs/dbraw/zinc/79/69/63/558796963.db2.gz ITEYWSAIVPHXIF-IAGOWNOFSA-N 0 0 421.538 2.618 50 0 HFAARN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 ZINC000016625973 558797084 /nfs/dbraw/zinc/79/70/84/558797084.db2.gz CDZIQZNSYWJSTC-OAHLLOKOSA-N 0 0 420.556 2.920 50 0 HFAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NC2CC2)c(OC)c1 ZINC000036059908 558797350 /nfs/dbraw/zinc/79/73/50/558797350.db2.gz JIUDCOKHKAFYHS-RTBURBONSA-N 0 0 412.461 2.977 50 0 HFAARN Cn1c(SCC(=O)c2ccc3c(c2)CC(=O)N3)nnc1[C@@H]1COc2ccccc2O1 ZINC000016680276 558799278 /nfs/dbraw/zinc/79/92/78/558799278.db2.gz UBKZHTAVEMLPOQ-SFHVURJKSA-N 0 0 422.466 2.797 50 0 HFAARN Cn1c(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc2ccccc21 ZINC000036357020 558799320 /nfs/dbraw/zinc/79/93/20/558799320.db2.gz GPMJTYHNKXQESC-UHFFFAOYSA-N 0 0 419.481 2.938 50 0 HFAARN Cc1[nH]c2ccc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2c1C ZINC000032983217 558804160 /nfs/dbraw/zinc/80/41/60/558804160.db2.gz PSVXVKMGFJFNEO-JOCHJYFZSA-N 0 0 419.481 2.909 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000013494829 558807070 /nfs/dbraw/zinc/80/70/70/558807070.db2.gz IRCCAZWHODLVEG-UHFFFAOYSA-N 0 0 420.878 2.869 50 0 HFAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)N(C)Cc3ccco3)s2)cc1 ZINC000032987489 558807310 /nfs/dbraw/zinc/80/73/10/558807310.db2.gz YAEGSQDFCHZNNA-UHFFFAOYSA-N 0 0 400.460 2.867 50 0 HFAARN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1cccnc1 ZINC000032987504 558807328 /nfs/dbraw/zinc/80/73/28/558807328.db2.gz NGLFGCQZTZTYOJ-UHFFFAOYSA-N 0 0 417.878 2.672 50 0 HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O ZINC000032988998 558808373 /nfs/dbraw/zinc/80/83/73/558808373.db2.gz IARAJXNQOIJOIO-HXUWFJFHSA-N 0 0 422.481 2.843 50 0 HFAARN O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528373 558811991 /nfs/dbraw/zinc/81/19/91/558811991.db2.gz LLXQUWKZUNBEBS-UHFFFAOYSA-N 0 0 415.925 2.848 50 0 HFAARN O=C(c1cccc(Br)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038530382 558812247 /nfs/dbraw/zinc/81/22/47/558812247.db2.gz WQCSOKTWAPDUDE-UHFFFAOYSA-N 0 0 416.323 2.802 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1OC ZINC000039362813 558820403 /nfs/dbraw/zinc/82/04/03/558820403.db2.gz XKUKMCAKUJDKMV-UHFFFAOYSA-N 0 0 405.516 2.710 50 0 HFAARN CN(CC(=O)NCc1cccnc1N1CCc2ccccc2C1)Cc1ccccn1 ZINC000039446847 558821352 /nfs/dbraw/zinc/82/13/52/558821352.db2.gz MSQNEBWPAWKLLA-UHFFFAOYSA-N 0 0 401.514 2.788 50 0 HFAARN CCn1nc(C)c(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1C ZINC000039485177 558821778 /nfs/dbraw/zinc/82/17/78/558821778.db2.gz DYVCJFZJCBYAHD-OAQYLSRUSA-N 0 0 400.567 2.906 50 0 HFAARN CC(C)CCNC(=O)c1[nH]cnc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000033003866 558827052 /nfs/dbraw/zinc/82/70/52/558827052.db2.gz ZHGWPTXLBCUPIU-UHFFFAOYSA-N 0 0 418.925 2.963 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(F)c4)ccn3n2)cc1OC ZINC000046005116 558838622 /nfs/dbraw/zinc/83/86/22/558838622.db2.gz XWTQRGIGKPXNON-UHFFFAOYSA-N 0 0 422.416 2.958 50 0 HFAARN C[C@H](CC(=O)NCc1ccccc1)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12 ZINC000046005513 558838799 /nfs/dbraw/zinc/83/87/99/558838799.db2.gz LTDSNNHLLVYSAF-INIZCTEOSA-N 0 0 419.460 2.904 50 0 HFAARN COc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 ZINC000004601449 558840894 /nfs/dbraw/zinc/84/08/94/558840894.db2.gz NFESEOPRUJXNIY-UHFFFAOYSA-N 0 0 411.302 2.981 50 0 HFAARN Cc1cccn2c(CN3CCC[C@@H](O)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019113056 558841920 /nfs/dbraw/zinc/84/19/20/558841920.db2.gz IKLFADLXHJFBAE-HXUWFJFHSA-N 0 0 406.530 2.914 50 0 HFAARN Cn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)[C@H]3CCCO3)ccc21 ZINC000033025901 558846885 /nfs/dbraw/zinc/84/68/85/558846885.db2.gz DSKXTIGFTCZFEJ-LJQANCHMSA-N 0 0 410.449 2.802 50 0 HFAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)C2CC2)n3C)cc1OC ZINC000033026038 558846926 /nfs/dbraw/zinc/84/69/26/558846926.db2.gz FJELYRYDACWPBM-UHFFFAOYSA-N 0 0 422.485 2.912 50 0 HFAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc21 ZINC000013610440 558847327 /nfs/dbraw/zinc/84/73/27/558847327.db2.gz ULHWHGCZSJGJQU-UHFFFAOYSA-N 0 0 402.472 2.812 50 0 HFAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cn1C ZINC000033026969 558848382 /nfs/dbraw/zinc/84/83/82/558848382.db2.gz YXYOBULKUKVJFW-UHFFFAOYSA-N 0 0 410.927 2.730 50 0 HFAARN COCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccccc3)s2)cc1 ZINC000033027969 558851543 /nfs/dbraw/zinc/85/15/43/558851543.db2.gz XXYXRHLWDYOQLV-UHFFFAOYSA-N 0 0 412.471 2.746 50 0 HFAARN COc1ccc(-c2cc3ccc(OCC(=O)Nc4ncc[nH]4)cc3oc2=O)cc1OC ZINC000072324947 558861885 /nfs/dbraw/zinc/86/18/85/558861885.db2.gz YVESITLOQJWVRU-UHFFFAOYSA-N 0 0 421.409 2.640 50 0 biogenic HFAARN O=C(CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O)Nc1ccc(F)c(F)c1F ZINC000072325990 558862797 /nfs/dbraw/zinc/86/27/97/558862797.db2.gz GEFOHCFSOXTSMT-HNNXBMFYSA-N 0 0 403.360 2.694 50 0 biogenic HFAARN CCCCC12CN3CC(C)(CN(C1)C31c3cc(Br)ccc3NC1=O)C2=O ZINC000019321251 558867631 /nfs/dbraw/zinc/86/76/31/558867631.db2.gz AFIWQJDCCKSANZ-UHFFFAOYSA-N 0 0 418.335 2.951 50 0 HFAARN COC(=O)c1ccc2c(c1)nc(SCc1cccc(Br)c1)n(N)c2=O ZINC000071327525 558868040 /nfs/dbraw/zinc/86/80/40/558868040.db2.gz OANXLBGRGUUWAN-UHFFFAOYSA-N 0 0 420.288 2.952 50 0 HFAARN COC(=O)[C@@H]1CCCN1Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000055169106 558875074 /nfs/dbraw/zinc/87/50/74/558875074.db2.gz NXLWBAQHHQTQFI-SFHVURJKSA-N 0 0 406.486 2.744 50 0 HFAARN CN1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)CC1 ZINC000055201816 558876032 /nfs/dbraw/zinc/87/60/32/558876032.db2.gz AGANEUWSIOEIQP-UHFFFAOYSA-N 0 0 415.419 2.901 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCC(c2ccccc2)CC1 ZINC000055252450 558877293 /nfs/dbraw/zinc/87/72/93/558877293.db2.gz JHKKCLKKSJKXCK-QFIPXVFZSA-N 0 0 409.505 2.922 50 0 HFAARN CCCc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n(C)n1 ZINC000055342413 558879730 /nfs/dbraw/zinc/87/97/30/558879730.db2.gz YWIAHWZNHUKPOU-IBGZPJMESA-N 0 0 413.541 2.939 50 0 HFAARN CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C)CC1 ZINC000055358100 558879873 /nfs/dbraw/zinc/87/98/73/558879873.db2.gz HVQSKIOOXMKSSX-UHFFFAOYSA-N 0 0 420.517 2.814 50 0 HFAARN CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)c1ccc(Cn2nnnc2C)cc1 ZINC000055414825 558881159 /nfs/dbraw/zinc/88/11/59/558881159.db2.gz KUKBGITZEAAFBR-UHFFFAOYSA-N 0 0 403.490 2.919 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3Cl)S2(=O)=O)cc1F ZINC000033045326 558882087 /nfs/dbraw/zinc/88/20/87/558882087.db2.gz UIAWMGCQURWVNL-UHFFFAOYSA-N 0 0 411.886 2.789 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NCC(=O)Nc2ccccc2F)c1 ZINC000007978565 558884916 /nfs/dbraw/zinc/88/49/16/558884916.db2.gz AYXKMBQRRFXDJS-UHFFFAOYSA-N 0 0 422.526 2.973 50 0 HFAARN COc1ccc(CNC(=O)c2snc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000033129888 558885659 /nfs/dbraw/zinc/88/56/59/558885659.db2.gz JFJQAKOVDKUSOQ-UHFFFAOYSA-N 0 0 406.467 2.840 50 0 HFAARN Cc1ccc(CN(Cc2ccco2)C(=S)NCC(=O)NC[C@H]2CCCO2)cc1 ZINC000004672155 558886049 /nfs/dbraw/zinc/88/60/49/558886049.db2.gz PKKHBBRZQGEZLI-GOSISDBHSA-N 0 0 401.532 2.760 50 0 HFAARN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)o1 ZINC000033131470 558887921 /nfs/dbraw/zinc/88/79/21/558887921.db2.gz WTNANJZIHDYXLQ-UHFFFAOYSA-N 0 0 414.936 2.909 50 0 HFAARN Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)nn2)ccc1F ZINC000057509229 558888966 /nfs/dbraw/zinc/88/89/66/558888966.db2.gz CRBWCKDVTIHSPY-UHFFFAOYSA-N 0 0 403.458 2.844 50 0 HFAARN CCS(=O)(=O)N1CCC(C(=O)NCCc2csc(-c3cccs3)n2)CC1 ZINC000033140290 558892478 /nfs/dbraw/zinc/89/24/78/558892478.db2.gz XKQAPBAUWZVPEK-UHFFFAOYSA-N 0 0 413.590 2.592 50 0 HFAARN COCCNC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004680529 558894112 /nfs/dbraw/zinc/89/41/12/558894112.db2.gz IYKNBYVFMYTBIC-UHFFFAOYSA-N 0 0 410.923 2.602 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c3c[nH]nc32)C1 ZINC000058049988 558896970 /nfs/dbraw/zinc/89/69/70/558896970.db2.gz WIOPZKJXOLILEY-AWEZNQCLSA-N 0 0 417.491 2.516 50 0 HFAARN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](O)c3cccc(Cl)c3)ccc21 ZINC000058061837 558897297 /nfs/dbraw/zinc/89/72/97/558897297.db2.gz WDHHXVAFFWOHRI-SFHVURJKSA-N 0 0 408.907 2.516 50 0 HFAARN Cc1oc(C(=O)NCc2ccc(-c3cc[nH]n3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000058063327 558897599 /nfs/dbraw/zinc/89/75/99/558897599.db2.gz ATDUFFQKWZBQDM-UHFFFAOYSA-N 0 0 414.487 2.693 50 0 HFAARN CCN(CCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)S(C)(=O)=O ZINC000058065565 558897610 /nfs/dbraw/zinc/89/76/10/558897610.db2.gz XFQUBMCZNOYBTG-UHFFFAOYSA-N 0 0 409.556 2.537 50 0 HFAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)C1 ZINC000058079499 558898015 /nfs/dbraw/zinc/89/80/15/558898015.db2.gz JLKUDHWRXBQRTD-LJQANCHMSA-N 0 0 417.531 2.854 50 0 HFAARN CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1O ZINC000004688044 558898852 /nfs/dbraw/zinc/89/88/52/558898852.db2.gz NRUWLRGVISEMAX-UHFFFAOYSA-N 0 0 413.499 2.801 50 0 HFAARN COc1ccc(/C=C(\C(=O)N(CCO)Cc2ccccc2)n2ccccc2=O)cc1 ZINC000004689669 558899580 /nfs/dbraw/zinc/89/95/80/558899580.db2.gz KHRPMKPHZASELN-OQKWZONESA-N 0 0 404.466 2.876 50 0 HFAARN COC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2OC)N(C)C)c2ccccc12 ZINC000058132818 558900646 /nfs/dbraw/zinc/90/06/46/558900646.db2.gz LHEZSSSFSRQJBU-FQEVSTJZSA-N 0 0 409.486 2.856 50 0 HFAARN NC(=O)Cn1c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2ccccc2c1=O ZINC000058135731 558900953 /nfs/dbraw/zinc/90/09/53/558900953.db2.gz MBUGUNFXKMJQKN-KRWDZBQOSA-N 0 0 419.510 2.829 50 0 HFAARN Cn1cnnc1-c1ccc(NC(=O)NCCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000058146075 558902136 /nfs/dbraw/zinc/90/21/36/558902136.db2.gz IRXNDCNOPGNZNC-UHFFFAOYSA-N 0 0 413.503 2.609 50 0 HFAARN COC(=O)c1nn(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c(C)c1Cl ZINC000058158008 558903670 /nfs/dbraw/zinc/90/36/70/558903670.db2.gz LKBWSTQMVHIIAY-UHFFFAOYSA-N 0 0 401.797 2.892 50 0 HFAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1 ZINC000058164500 558906696 /nfs/dbraw/zinc/90/66/96/558906696.db2.gz CAAGXIUZSXCXJV-OAHLLOKOSA-N 0 0 401.894 2.896 50 0 HFAARN CN(Cc1cnccn1)C(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071748178 558908652 /nfs/dbraw/zinc/90/86/52/558908652.db2.gz RPHLZPAZNZXOID-XMMPIXPASA-N 0 0 400.482 2.982 50 0 HFAARN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2ccc(Br)cc2)c1=O ZINC000071754867 558909599 /nfs/dbraw/zinc/90/95/99/558909599.db2.gz GSCNNVPVDSPUKF-UHFFFAOYSA-N 0 0 413.231 2.891 50 0 HFAARN CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000058194667 558910726 /nfs/dbraw/zinc/91/07/26/558910726.db2.gz ILWCDJDFSTUMAM-MRXNPFEDSA-N 0 0 404.492 2.571 50 0 HFAARN COc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c(C)c1 ZINC000058224921 558913464 /nfs/dbraw/zinc/91/34/64/558913464.db2.gz FJFUHVPLTQIKJF-GOSISDBHSA-N 0 0 418.515 2.710 50 0 HFAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN(C)CC(=O)N(C)C ZINC000019537796 558914024 /nfs/dbraw/zinc/91/40/24/558914024.db2.gz JCNWESRAMSWDNW-UHFFFAOYSA-N 0 0 417.531 2.859 50 0 HFAARN CCOc1cc(/C=C/C(=O)NCCC(=O)NCc2cccnc2)cc(Cl)c1OC ZINC000058310470 558918867 /nfs/dbraw/zinc/91/88/67/558918867.db2.gz DYNUJBKSCYMPHZ-VOTSOKGWSA-N 0 0 417.893 2.978 50 0 HFAARN Cc1nc(-c2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)no1 ZINC000033257650 558924459 /nfs/dbraw/zinc/92/44/59/558924459.db2.gz HGQGNALQQAFXSV-UHFFFAOYSA-N 0 0 406.442 2.732 50 0 HFAARN Cn1c(=O)c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)nc2cccnc21 ZINC000033258993 558926082 /nfs/dbraw/zinc/92/60/82/558926082.db2.gz IKIIPXOZQYUESR-UHFFFAOYSA-N 0 0 411.893 2.515 50 0 HFAARN O=C(CN1C(=O)COc2ccccc21)NC1(c2ccc(Br)cc2)CC1 ZINC000058426991 558926201 /nfs/dbraw/zinc/92/62/01/558926201.db2.gz WWWIRHFWSFYYNZ-UHFFFAOYSA-N 0 0 401.260 2.980 50 0 HFAARN O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000072115583 558926705 /nfs/dbraw/zinc/92/67/05/558926705.db2.gz JQMRMERXTSUWBL-UHFFFAOYSA-N 0 0 418.501 2.821 50 0 HFAARN COc1c2ccc(C(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2nn1C ZINC000096380891 558928726 /nfs/dbraw/zinc/92/87/26/558928726.db2.gz JUCHUCRIZGABJS-UHFFFAOYSA-N 0 0 419.890 2.534 50 0 HFAARN CCc1c(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)[nH]c(C)c1C(C)=O ZINC000058751781 558929840 /nfs/dbraw/zinc/92/98/40/558929840.db2.gz JEDIRDCXXDBUJO-OAHLLOKOSA-N 0 0 406.280 2.807 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c3cc(C(=O)N4CCCCC4)ccc3oc2=O)cc1 ZINC000033262647 558931374 /nfs/dbraw/zinc/93/13/74/558931374.db2.gz POBGAXXZKZRXDB-UHFFFAOYSA-N 0 0 407.470 2.845 50 0 HFAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000059741068 558938607 /nfs/dbraw/zinc/93/86/07/558938607.db2.gz MGKAJPMDSMCLHJ-MRXNPFEDSA-N 0 0 421.563 2.694 50 0 HFAARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000060162905 558941424 /nfs/dbraw/zinc/94/14/24/558941424.db2.gz DZTOYHSPZADUMK-GOSISDBHSA-N 0 0 409.870 2.966 50 0 HFAARN CCOC(=O)CSCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000011203771 558946673 /nfs/dbraw/zinc/94/66/73/558946673.db2.gz RBSZTADYGBTKPD-MRXNPFEDSA-N 0 0 412.895 2.807 50 0 HFAARN CCOC(=O)c1oc2ccc(S(=O)(=O)NCCc3c(C)nn(C)c3C)cc2c1C ZINC000033060117 558953672 /nfs/dbraw/zinc/95/36/72/558953672.db2.gz MOLWNYRNJUVLNS-UHFFFAOYSA-N 0 0 419.503 2.789 50 0 HFAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000065362263 558973044 /nfs/dbraw/zinc/97/30/44/558973044.db2.gz WLKKIZPRKKVHBS-UHFFFAOYSA-N 0 0 419.445 2.698 50 0 HFAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O ZINC000065363768 558974822 /nfs/dbraw/zinc/97/48/22/558974822.db2.gz RBWVIUHIPHVMOO-MRXNPFEDSA-N 0 0 406.442 2.528 50 0 HFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O ZINC000065363769 558974850 /nfs/dbraw/zinc/97/48/50/558974850.db2.gz RBWVIUHIPHVMOO-INIZCTEOSA-N 0 0 406.442 2.528 50 0 HFAARN CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1 ZINC000065364670 558975703 /nfs/dbraw/zinc/97/57/03/558975703.db2.gz LSWZACOFEOTKQQ-UHFFFAOYSA-N 0 0 407.478 2.724 50 0 HFAARN COc1ccccc1[C@H]1CNC(=O)c2[nH]c(CC(=O)Nc3ccc(C)cc3)nc2C1 ZINC000065409821 558977442 /nfs/dbraw/zinc/97/74/42/558977442.db2.gz AFWGCLKAUQSSOP-OAHLLOKOSA-N 0 0 404.470 2.978 50 0 HFAARN O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 ZINC000334161230 558980511 /nfs/dbraw/zinc/98/05/11/558980511.db2.gz WUSUPMGMHFVEEA-MRXNPFEDSA-N 0 0 414.849 2.515 50 0 HFAARN CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCCC[C@@H]1O ZINC000072437373 558980764 /nfs/dbraw/zinc/98/07/64/558980764.db2.gz FDQNMRHLFKQKNC-IKGGRYGDSA-N 0 0 414.593 2.691 50 0 HFAARN CC[C@@H](CO)NC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 ZINC000072477402 558983824 /nfs/dbraw/zinc/98/38/24/558983824.db2.gz ACEDIHXVULNVMJ-KRWDZBQOSA-N 0 0 412.465 2.769 50 0 HFAARN COc1cc(-c2ccc(C(F)(F)F)cn2)cc2c1OCCN(C(=O)CNC(C)=O)C2 ZINC000067460160 558986729 /nfs/dbraw/zinc/98/67/29/558986729.db2.gz XAYYQKZGXQFMLR-UHFFFAOYSA-N 0 0 423.391 2.633 50 0 HFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000067602212 558988042 /nfs/dbraw/zinc/98/80/42/558988042.db2.gz NHZNPSDEBLTDDO-UHFFFAOYSA-N 0 0 402.380 2.644 50 0 HFAARN O=C(Cc1noc2ccccc12)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 ZINC000067620596 558989560 /nfs/dbraw/zinc/98/95/60/558989560.db2.gz GPCIWJVMTHNSHK-UHFFFAOYSA-N 0 0 415.457 2.648 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HFAARN COc1ccc(-c2c3c(cn2-c2ccc(OC)cc2OC)n(C)c(=O)n(C)c3=O)cc1 ZINC000005348071 560570854 /nfs/dbraw/zinc/57/08/54/560570854.db2.gz DCLJCQCFCUZBBO-UHFFFAOYSA-N 0 0 421.453 2.721 50 0 HFAARN Cc1cccc(C)c1-n1nnnc1S[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000005391587 560582362 /nfs/dbraw/zinc/58/23/62/560582362.db2.gz OMZOTCQQLFPTCL-AWEZNQCLSA-N 0 0 411.487 2.805 50 0 HFAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc2nsnc2c1 ZINC000062165385 560583969 /nfs/dbraw/zinc/58/39/69/560583969.db2.gz GINVICXCVUHSBQ-LBPRGKRZSA-N 0 0 406.427 2.847 50 0 HFAARN O=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000005425583 560585444 /nfs/dbraw/zinc/58/54/44/560585444.db2.gz BXXJHVJUCQMKBB-GOSISDBHSA-N 0 0 418.540 2.674 50 0 HFAARN CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000003408122 560594306 /nfs/dbraw/zinc/59/43/06/560594306.db2.gz CVLNQUHPALMWOD-QFIPXVFZSA-N 0 0 410.426 2.984 50 0 HFAARN C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003456436 560595342 /nfs/dbraw/zinc/59/53/42/560595342.db2.gz RSEDFHKGQLQUTG-OAHLLOKOSA-N 0 0 424.478 2.971 50 0 HFAARN Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2N)c1 ZINC000003542166 560596371 /nfs/dbraw/zinc/59/63/71/560596371.db2.gz TXGWGKTUCBKUGX-QGZVFWFLSA-N 0 0 411.487 2.852 50 0 HFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000005512048 560601260 /nfs/dbraw/zinc/60/12/60/560601260.db2.gz IAQXFIOTLSYXQG-BBRMVZONSA-N 0 0 400.928 2.669 50 0 HFAARN CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000004351685 560605963 /nfs/dbraw/zinc/60/59/63/560605963.db2.gz BQIFMRZONVJZCB-UHFFFAOYSA-N 0 0 408.410 2.728 50 0 HFAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(Cc2ccccc2)n1C ZINC000005530569 560607020 /nfs/dbraw/zinc/60/70/20/560607020.db2.gz ZMZNRXSMTZBZSN-IBGZPJMESA-N 0 0 408.527 2.815 50 0 HFAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(S(C)(=O)=O)CC2)o1 ZINC000005561460 560617887 /nfs/dbraw/zinc/61/78/87/560617887.db2.gz VYIZLKVIBSUMFP-QGZVFWFLSA-N 0 0 401.488 2.883 50 0 HFAARN COc1ccc(CNC(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1OC ZINC000008765334 560638431 /nfs/dbraw/zinc/63/84/31/560638431.db2.gz NROVRZJPDMGWHT-INIZCTEOSA-N 0 0 401.415 2.639 50 0 biogenic HFAARN COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c(OC)c1 ZINC000526052395 560639836 /nfs/dbraw/zinc/63/98/36/560639836.db2.gz DAHLSUSRIPHMHX-RBUKOAKNSA-N 0 0 423.469 2.508 50 0 HFAARN COc1ccc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c(OC)c1 ZINC000526052396 560639928 /nfs/dbraw/zinc/63/99/28/560639928.db2.gz DAHLSUSRIPHMHX-RTBURBONSA-N 0 0 423.469 2.508 50 0 biogenic HFAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)COc3ccccc3)C2=O)cc1 ZINC000097675932 560640465 /nfs/dbraw/zinc/64/04/65/560640465.db2.gz NRJKIIVIVAQLSJ-QGOAFFKASA-N 0 0 412.467 2.927 50 0 HFAARN COc1cc([C@H]2Nc3c(sc4nc(C)cc(C)c43)C(=O)N2)ccc1OCC(N)=O ZINC000015502633 560641756 /nfs/dbraw/zinc/64/17/56/560641756.db2.gz HGUIAHAKMDOKTL-SFHVURJKSA-N 0 0 412.471 2.640 50 0 HFAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2C1 ZINC000017287078 560705826 /nfs/dbraw/zinc/70/58/26/560705826.db2.gz DRTCVRVBMVOTQF-UHFFFAOYSA-N 0 0 402.516 2.974 50 0 HFAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)COc3cccc(OC)c3)ccc21 ZINC000017316378 560708517 /nfs/dbraw/zinc/70/85/17/560708517.db2.gz MXBSISTZSKVELU-UHFFFAOYSA-N 0 0 404.488 2.815 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000017590551 560720060 /nfs/dbraw/zinc/72/00/60/560720060.db2.gz AODCPLIKYKLLGL-UHFFFAOYSA-N 0 0 421.548 2.814 50 0 HFAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000017747553 560725333 /nfs/dbraw/zinc/72/53/33/560725333.db2.gz KITFLUPKNCCQLY-LWYYNNOASA-N 0 0 404.466 2.589 50 0 HFAARN CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000017822937 560728847 /nfs/dbraw/zinc/72/88/47/560728847.db2.gz GEFNMUYOMKHHDZ-SFHVURJKSA-N 0 0 400.500 2.722 50 0 HFAARN CCS(=O)(=O)N1CCC(C(=O)Oc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000016552585 560730803 /nfs/dbraw/zinc/73/08/03/560730803.db2.gz MRVRPMMKRKLHNY-UHFFFAOYSA-N 0 0 422.528 2.968 50 0 HFAARN Cn1nccc1C(=O)Nc1sc2c(c1C(=O)NC(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000006386638 560735574 /nfs/dbraw/zinc/73/55/74/560735574.db2.gz MUBWKECLQQDZQD-SNVBAGLBSA-N 0 0 403.508 2.693 50 0 HFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000018004935 560735922 /nfs/dbraw/zinc/73/59/22/560735922.db2.gz FSBBKWIGVLWFAH-IBGZPJMESA-N 0 0 412.461 2.976 50 0 HFAARN O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@@H](F)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000585146125 560741571 /nfs/dbraw/zinc/74/15/71/560741571.db2.gz LFMDYIZRPLHYQA-HOCLYGCPSA-N 0 0 416.434 2.540 50 0 HFAARN O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@H](F)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000585146126 560741724 /nfs/dbraw/zinc/74/17/24/560741724.db2.gz LFMDYIZRPLHYQA-ZBFHGGJFSA-N 0 0 416.434 2.540 50 0 HFAARN COc1cc(OC)cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)c1 ZINC000169780730 560766340 /nfs/dbraw/zinc/76/63/40/560766340.db2.gz SVSHOLOWOIEZJY-UHFFFAOYSA-N 0 0 422.485 2.906 50 0 HFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Sc4[nH]c(=O)sc4C3(C)C)C2=O)cc1 ZINC000101025061 560766746 /nfs/dbraw/zinc/76/67/46/560766746.db2.gz GUIZYHNAYRBYJL-RYUDHWBXSA-N 0 0 418.496 2.555 50 0 HFAARN C[C@@H](NC(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000101045635 560767639 /nfs/dbraw/zinc/76/76/39/560767639.db2.gz XSKJOVLPHKVQIX-GFCCVEGCSA-N 0 0 417.487 2.762 50 0 HFAARN C[C@]1(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)CCS(=O)(=O)C1 ZINC000011443754 560772112 /nfs/dbraw/zinc/77/21/12/560772112.db2.gz VMPDNPYETTWUDI-INIZCTEOSA-N 0 0 419.883 2.544 50 0 HFAARN O=C(Cc1ccc(F)cc1)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000011693879 560773784 /nfs/dbraw/zinc/77/37/84/560773784.db2.gz BURSCIRUNZWREX-UHFFFAOYSA-N 0 0 409.396 2.807 50 0 HFAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000018048418 560774029 /nfs/dbraw/zinc/77/40/29/560774029.db2.gz ZOKPBAVCMXUSGM-OAHLLOKOSA-N 0 0 410.499 2.804 50 0 HFAARN CCN1C(=S)N=NC1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000005679284 560777568 /nfs/dbraw/zinc/77/75/68/560777568.db2.gz GXRGMVGBNPHPTG-MRXNPFEDSA-N 0 0 406.508 2.988 50 0 HFAARN CCN1C(=S)N=NC1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000005679292 560777580 /nfs/dbraw/zinc/77/75/80/560777580.db2.gz GXRGMVGBNPHPTG-INIZCTEOSA-N 0 0 406.508 2.988 50 0 HFAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C)ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000005678875 560777694 /nfs/dbraw/zinc/77/76/94/560777694.db2.gz CCYFBOVBJGAWIY-HNNXBMFYSA-N 0 0 409.442 2.682 50 0 HFAARN O=C(CCc1ccccc1)NCc1nc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1 ZINC000583649232 560778466 /nfs/dbraw/zinc/77/84/66/560778466.db2.gz LDZKKQNWSBBVLL-GOSISDBHSA-N 0 0 422.460 2.974 50 0 HFAARN O=C(NCc1nc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)no1)NC1CCCCC1 ZINC000583649496 560778545 /nfs/dbraw/zinc/77/85/45/560778545.db2.gz PNQIPPOVYDEAGA-HNNXBMFYSA-N 0 0 415.469 2.857 50 0 HFAARN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018142162 560779733 /nfs/dbraw/zinc/77/97/33/560779733.db2.gz VCKSSFYKHOORBB-CALCHBBNSA-N 0 0 418.515 2.810 50 0 HFAARN Cc1cc(N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)nc2ccccc12 ZINC000018145112 560779829 /nfs/dbraw/zinc/77/98/29/560779829.db2.gz VOOKMKYPXPCECN-UHFFFAOYSA-N 0 0 413.481 2.671 50 0 HFAARN Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051102115 560780303 /nfs/dbraw/zinc/78/03/03/560780303.db2.gz WZGAAONTQDCTTD-OAHLLOKOSA-N 0 0 401.960 2.627 50 0 HFAARN CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000005681058 560781370 /nfs/dbraw/zinc/78/13/70/560781370.db2.gz AFISIMWABXXIEQ-IFXJQAMLSA-N 0 0 404.488 2.646 50 0 HFAARN COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000005689782 560785056 /nfs/dbraw/zinc/78/50/56/560785056.db2.gz GHJNMLJCKDCIOM-LBPRGKRZSA-N 0 0 417.512 2.798 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1 ZINC000018232125 560785117 /nfs/dbraw/zinc/78/51/17/560785117.db2.gz LMEADEBCNFMQOI-UHFFFAOYSA-N 0 0 400.504 2.566 50 0 HFAARN O=C(c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCOCC1 ZINC000101282295 560790534 /nfs/dbraw/zinc/79/05/34/560790534.db2.gz BEEUFPXWUFDUME-UHFFFAOYSA-N 0 0 408.845 2.944 50 0 HFAARN CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000101348414 560793276 /nfs/dbraw/zinc/79/32/76/560793276.db2.gz UBQKRTHZGQEDTI-LJQANCHMSA-N 0 0 411.483 2.693 50 0 HFAARN CC(C)[C@@H]1c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2NC1=O ZINC000101613673 560797350 /nfs/dbraw/zinc/79/73/50/560797350.db2.gz MULZQNIBBPVYNK-OAQYLSRUSA-N 0 0 413.543 2.885 50 0 HFAARN CCC(C)(C)NS(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC ZINC000101628993 560797385 /nfs/dbraw/zinc/79/73/85/560797385.db2.gz TYSKMTCFCGWDCW-IYBDPMFKSA-N 0 0 422.547 2.837 50 0 HFAARN COc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4)[nH]c3n2)c(OC)c1 ZINC000101795750 560801403 /nfs/dbraw/zinc/80/14/03/560801403.db2.gz FEMRPAVNQRURTI-UHFFFAOYSA-N 0 0 406.446 2.659 50 0 HFAARN COc1ccc(CNc2nn3c(nc(CNc4ccc(F)cc4)cc3=O)[nH]2)cc1OC ZINC000101796741 560801780 /nfs/dbraw/zinc/80/17/80/560801780.db2.gz KLGFTFGHLNUQKJ-UHFFFAOYSA-N 0 0 424.436 2.798 50 0 HFAARN Cc1ccc(-c2[nH]c3c(c2[C@@H]2c4ccccc4N(C)C2=O)c(=O)[nH]c(=O)n3C)cc1 ZINC000101859150 560803969 /nfs/dbraw/zinc/80/39/69/560803969.db2.gz VJMWUMGAQZCXQO-INIZCTEOSA-N 0 0 400.438 2.639 50 0 HFAARN Cc1ccc(-c2c(=O)c(=O)c2NCCN2CCN(c3ccccc3F)CC2)cc1C ZINC000101982486 560806270 /nfs/dbraw/zinc/80/62/70/560806270.db2.gz ZWKCIMCXHJFUKI-UHFFFAOYSA-N 0 0 407.489 2.940 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Oc2ccccc2C(F)(F)F)c1 ZINC000024428883 560808570 /nfs/dbraw/zinc/80/85/70/560808570.db2.gz LDGVAUYAIBVHNN-UHFFFAOYSA-N 0 0 409.407 2.723 50 0 HFAARN Cc1ccc(N2C(=O)c3ccccc3/C(=C/N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C ZINC000102575216 560816730 /nfs/dbraw/zinc/81/67/30/560816730.db2.gz LENXBGOLHLBIFI-SDLDRHLBSA-N 0 0 410.495 2.608 50 0 HFAARN CCn1c(CNC(=O)c2ccccc2F)nnc1S[C@H](C)C(=O)NC(C)(C)C ZINC000013956535 560830848 /nfs/dbraw/zinc/83/08/48/560830848.db2.gz BNZTVUBYDDLCNK-GFCCVEGCSA-N 0 0 407.515 2.762 50 0 HFAARN O=C(NC[C@H]1CCCO1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000102907995 560835170 /nfs/dbraw/zinc/83/51/70/560835170.db2.gz SFRGRYOGEDICSF-MRXNPFEDSA-N 0 0 406.417 2.867 50 0 HFAARN COc1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc(OC)c1C ZINC000046710142 560837639 /nfs/dbraw/zinc/83/76/39/560837639.db2.gz SSABXEINBWRLAU-UHFFFAOYSA-N 0 0 400.450 2.678 50 0 HFAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)[C@H]1C ZINC000103707365 560844215 /nfs/dbraw/zinc/84/42/15/560844215.db2.gz LTIPWZYQUHCXAI-YCPHGPKFSA-N 0 0 405.568 2.822 50 0 HFAARN COc1ccc([C@H]2CCCN2CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000103970135 560845582 /nfs/dbraw/zinc/84/55/82/560845582.db2.gz CYEDHJSVJSJLBG-WOJBJXKFSA-N 0 0 409.486 2.961 50 0 HFAARN Cc1cccc(C)c1NC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096333230 560848929 /nfs/dbraw/zinc/84/89/29/560848929.db2.gz FYKWGCIAEFGYEL-UHFFFAOYSA-N 0 0 406.490 2.736 50 0 HFAARN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000051317411 560857714 /nfs/dbraw/zinc/85/77/14/560857714.db2.gz KTEOJMNDHOLWCF-UHFFFAOYSA-N 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ZINC000012196933 560891516 /nfs/dbraw/zinc/89/15/16/560891516.db2.gz QDMGWPAYGUZDQA-GOSISDBHSA-N 0 0 406.504 2.784 50 0 HFAARN CCOC(CCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)OCC ZINC000004563324 560897910 /nfs/dbraw/zinc/89/79/10/560897910.db2.gz AKBBEABZPBAKKL-UHFFFAOYSA-N 0 0 406.479 2.558 50 0 HFAARN Cn1nccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc3nccnc3c2)C1 ZINC000044921990 560897925 /nfs/dbraw/zinc/89/79/25/560897925.db2.gz OLVDWSPXKINKAK-OAQYLSRUSA-N 0 0 418.482 2.903 50 0 HFAARN O=C(NCc1ccco1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908105 568416258 /nfs/dbraw/zinc/41/62/58/568416258.db2.gz LVTWCUPVWYYALC-LJQANCHMSA-N 0 0 409.511 2.873 50 0 HFAARN Cc1nn(CCC(=O)Nc2cccc(F)c2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998060 568423186 /nfs/dbraw/zinc/42/31/86/568423186.db2.gz QUTKXJXJTGHBHA-UHFFFAOYSA-N 0 0 408.499 2.842 50 0 HFAARN CCOc1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000046145075 568430368 /nfs/dbraw/zinc/43/03/68/568430368.db2.gz YVTWEFSRTMSCSM-UHFFFAOYSA-N 0 0 402.516 2.977 50 0 HFAARN COc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000046145239 568430439 /nfs/dbraw/zinc/43/04/39/568430439.db2.gz GACLRFMGVIIWPK-UHFFFAOYSA-N 0 0 408.907 2.932 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000046145360 568430495 /nfs/dbraw/zinc/43/04/95/568430495.db2.gz NVGLPCOYFRBTIJ-KPKJPENVSA-N 0 0 414.527 2.986 50 0 HFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)C1 ZINC000047721165 568430850 /nfs/dbraw/zinc/43/08/50/568430850.db2.gz BXDZPYMMJKTXOO-NEPJUHHUSA-N 0 0 401.290 2.913 50 0 HFAARN O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000048159038 568432197 /nfs/dbraw/zinc/43/21/97/568432197.db2.gz FLWCADSYXCGSNZ-QFIPXVFZSA-N 0 0 413.562 2.706 50 0 HFAARN Cc1cc(N2CCN(C(=O)Nc3cccnc3-n3cccn3)CC2)nc(C(C)C)n1 ZINC000048197869 568432297 /nfs/dbraw/zinc/43/22/97/568432297.db2.gz NLMXMQLCXBPXGW-UHFFFAOYSA-N 0 0 406.494 2.843 50 0 HFAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000048255586 568433442 /nfs/dbraw/zinc/43/34/42/568433442.db2.gz CQKGFRUEZDKISZ-UHFFFAOYSA-N 0 0 418.519 2.601 50 0 HFAARN O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048263630 568433765 /nfs/dbraw/zinc/43/37/65/568433765.db2.gz SATCZKBCJQWIFR-SFHVURJKSA-N 0 0 400.523 2.947 50 0 HFAARN O=C(NCc1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1)c1cccs1 ZINC000048250010 568434146 /nfs/dbraw/zinc/43/41/46/568434146.db2.gz CPQFUZJPBLJKNU-UHFFFAOYSA-N 0 0 404.455 2.906 50 0 HFAARN Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cn2)n1 ZINC000048249975 568434169 /nfs/dbraw/zinc/43/41/69/568434169.db2.gz LNVPPMVOTIKHJM-KRWDZBQOSA-N 0 0 409.515 2.867 50 0 HFAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000048288680 568434807 /nfs/dbraw/zinc/43/48/07/568434807.db2.gz NUUMQUOJRLPZPO-HUUCEWRRSA-N 0 0 404.942 2.910 50 0 HFAARN O=C(Cn1c2ccccc2n(C2=CCCCC2)c1=O)NCc1nnc2n1CCCCC2 ZINC000048291067 568435335 /nfs/dbraw/zinc/43/53/35/568435335.db2.gz XRNRTRXZKJMTPM-UHFFFAOYSA-N 0 0 420.517 2.852 50 0 HFAARN CCOc1ccc(Oc2cc(CNS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)ccn2)cc1 ZINC000048274891 568435435 /nfs/dbraw/zinc/43/54/35/568435435.db2.gz VXCALPNWTGKFSE-IYBDPMFKSA-N 0 0 421.519 2.716 50 0 HFAARN O=C(Nc1cccc(CN2CCOC2=O)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048275674 568435455 /nfs/dbraw/zinc/43/54/55/568435455.db2.gz TYFQLNMQAYSNGL-QGZVFWFLSA-N 0 0 400.479 2.505 50 0 HFAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cccnc2N2CCOCC2)cc1 ZINC000048278148 568435741 /nfs/dbraw/zinc/43/57/41/568435741.db2.gz PDHWOELCYZBYCO-OAHLLOKOSA-N 0 0 414.531 2.674 50 0 HFAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000048311482 568436924 /nfs/dbraw/zinc/43/69/24/568436924.db2.gz BLFGIKXVHMNDSW-UHFFFAOYSA-N 0 0 412.471 2.842 50 0 HFAARN Cn1cc(C(=O)NC2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cn1 ZINC000048302769 568437768 /nfs/dbraw/zinc/43/77/68/568437768.db2.gz XXWSNZKSXVJGMT-UHFFFAOYSA-N 0 0 422.529 2.683 50 0 HFAARN Cc1csc2nc(CN3CCC(NC(=O)CCc4ccccc4)CC3)cc(=O)n12 ZINC000048302870 568437827 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O=C(/C=C/c1ccco1)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000005113195 568454122 /nfs/dbraw/zinc/45/41/22/568454122.db2.gz BYJAJJZDHYEPNP-MDZDMXLPSA-N 0 0 418.471 2.649 50 0 HFAARN Cc1ccnc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1 ZINC000012233219 568454430 /nfs/dbraw/zinc/45/44/30/568454430.db2.gz OLUVNVNWKSELKB-HNNXBMFYSA-N 0 0 418.482 2.961 50 0 HFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)c2ccccc2)c3=O)cc1 ZINC000012234135 568454738 /nfs/dbraw/zinc/45/47/38/568454738.db2.gz YXANSCSAWZEKTQ-OAHLLOKOSA-N 0 0 405.458 2.680 50 0 HFAARN CCOc1ccc(N2CCn3c2nnc(C(=O)NCCC2=CCCCC2)c3=O)cc1 ZINC000012234093 568454779 /nfs/dbraw/zinc/45/47/79/568454779.db2.gz YICVSGCXIBEGCV-UHFFFAOYSA-N 0 0 409.490 2.809 50 0 HFAARN COc1ccccc1CCNC(=O)C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000012235318 568455126 /nfs/dbraw/zinc/45/51/26/568455126.db2.gz YATKSXHCZVXTQE-UHFFFAOYSA-N 0 0 406.486 2.783 50 0 HFAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2NC1=O ZINC000012252852 568456198 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COc1ccc(N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)nn1 ZINC000095476951 568630806 /nfs/dbraw/zinc/63/08/06/568630806.db2.gz OVJHHQARKXFEFF-UHFFFAOYSA-N 0 0 415.925 2.704 50 0 HFAARN O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095477630 568631325 /nfs/dbraw/zinc/63/13/25/568631325.db2.gz KYMGIXHCZFAVDU-JTQLQIEISA-N 0 0 400.236 2.712 50 0 HFAARN Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c(C)c1 ZINC000020611791 568637477 /nfs/dbraw/zinc/63/74/77/568637477.db2.gz AHRLHYIXURXMKX-OAQYLSRUSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)c1 ZINC000225433306 568637507 /nfs/dbraw/zinc/63/75/07/568637507.db2.gz ZSGUDZNQDSPWJW-IRLDBZIGSA-N 0 0 407.514 2.506 50 0 HFAARN Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611935 568637628 /nfs/dbraw/zinc/63/76/28/568637628.db2.gz QIMRYSYVBQAQQB-FQEVSTJZSA-N 0 0 402.454 2.598 50 0 biogenic HFAARN O=C(/C=C1\Sc2ccccc2NC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020727204 568640648 /nfs/dbraw/zinc/64/06/48/568640648.db2.gz BCFYVBFXSVRMGY-NDENLUEZSA-N 0 0 423.494 2.688 50 0 HFAARN CC(=O)N1CCC(N(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)CC1 ZINC000020730940 568640927 /nfs/dbraw/zinc/64/09/27/568640927.db2.gz QYROBKUCXHBOCS-UHFFFAOYSA-N 0 0 418.607 2.727 50 0 HFAARN Cc1c(C)c2c(OCC(=O)N3CCN(C)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000020760162 568642088 /nfs/dbraw/zinc/64/20/88/568642088.db2.gz BVLWZOUIDOXPER-UHFFFAOYSA-N 0 0 414.502 2.666 50 0 biogenic HFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1 ZINC000020935929 568652269 /nfs/dbraw/zinc/65/22/69/568652269.db2.gz SMHWFBWGAOHPRF-UHFFFAOYSA-N 0 0 411.414 2.818 50 0 HFAARN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](CO)c2cccc(Cl)c2F)CC1=O ZINC000225610378 568656824 /nfs/dbraw/zinc/65/68/24/568656824.db2.gz HOQUGNUAMBFEBB-CZUORRHYSA-N 0 0 420.868 2.999 50 0 HFAARN Cc1nccnc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000225654990 568660572 /nfs/dbraw/zinc/66/05/72/568660572.db2.gz 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ZINC000021097091 568665144 /nfs/dbraw/zinc/66/51/44/568665144.db2.gz KHJZORYLUZHIOH-UHFFFAOYSA-N 0 0 413.499 2.725 50 0 HFAARN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000021116762 568668982 /nfs/dbraw/zinc/66/89/82/568668982.db2.gz XTMCLPDHEWWPEW-UHFFFAOYSA-N 0 0 420.535 2.853 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NCc3ccco3)CC2)c1C ZINC000021153813 568672706 /nfs/dbraw/zinc/67/27/06/568672706.db2.gz CJBDVZYZRHEEQX-UHFFFAOYSA-N 0 0 415.490 2.960 50 0 HFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCCCCC4)CC3)sc2n1 ZINC000021166139 568674962 /nfs/dbraw/zinc/67/49/62/568674962.db2.gz DOWOAOASUXOFLC-UHFFFAOYSA-N 0 0 403.552 2.723 50 0 HFAARN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2nnn(-c3cccc(OC)c3)c2C)C1 ZINC000095983490 568675744 /nfs/dbraw/zinc/67/57/44/568675744.db2.gz BCLDINJEHIIINJ-OAHLLOKOSA-N 0 0 400.479 2.636 50 0 HFAARN COCCN(C(=O)Nc1cccc(N2CCC(C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000095983864 568675873 /nfs/dbraw/zinc/67/58/73/568675873.db2.gz JOPFLDGJVNNYOP-IBGZPJMESA-N 0 0 409.552 2.590 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000150 568680885 /nfs/dbraw/zinc/68/08/85/568680885.db2.gz OLFUDGOCDIOBKB-ZDUSSCGKSA-N 0 0 402.886 2.675 50 0 HFAARN Cc1ccc(N2C[C@@H](C(=O)NCCn3ccc(-c4ccncc4)n3)CC2=O)cc1C ZINC000096026148 568686792 /nfs/dbraw/zinc/68/67/92/568686792.db2.gz FBMCOOGBCPEXOD-IBGZPJMESA-N 0 0 403.486 2.731 50 0 HFAARN O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000096099552 568690239 /nfs/dbraw/zinc/69/02/39/568690239.db2.gz LUEGXXUEOSUJBU-UHFFFAOYSA-N 0 0 403.909 2.701 50 0 HFAARN COc1ccc(-c2nn(CCCC(=O)NCc3ccc(C)o3)c(=O)cc2OC)cc1 ZINC000096100939 568690987 /nfs/dbraw/zinc/69/09/87/568690987.db2.gz RLHHBPZRDHYWAP-UHFFFAOYSA-N 0 0 411.458 2.926 50 0 HFAARN COc1ccc(-c2nn([C@H](C)C(=O)Nc3ncc(C)s3)c(=O)cc2OC)cc1 ZINC000096101055 568691082 /nfs/dbraw/zinc/69/10/82/568691082.db2.gz ZUILDYOUXHKQGC-GFCCVEGCSA-N 0 0 400.460 2.892 50 0 HFAARN O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000096103500 568691743 /nfs/dbraw/zinc/69/17/43/568691743.db2.gz PNGRYXVKVZFSEY-CQSZACIVSA-N 0 0 421.874 2.855 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000096103777 568692077 /nfs/dbraw/zinc/69/20/77/568692077.db2.gz IJLRAMQSXFISHL-UHFFFAOYSA-N 0 0 417.409 2.544 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096105278 568692617 /nfs/dbraw/zinc/69/26/17/568692617.db2.gz RXTYEPRHNNZSAY-CYBMUJFWSA-N 0 0 413.869 2.574 50 0 HFAARN CC(=O)c1cccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1 ZINC000096105553 568692795 /nfs/dbraw/zinc/69/27/95/568692795.db2.gz XWLPDTLSMYUUFV-UHFFFAOYSA-N 0 0 419.481 2.924 50 0 HFAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000012390922 568695126 /nfs/dbraw/zinc/69/51/26/568695126.db2.gz RUBFEOOZVRYLPF-FQEVSTJZSA-N 0 0 405.502 2.890 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4[nH]ccc43)C2=O)cc1OC ZINC000096116225 568695749 /nfs/dbraw/zinc/69/57/49/568695749.db2.gz HYBOAJRFPJPBFB-KRWDZBQOSA-N 0 0 422.441 2.634 50 0 biogenic HFAARN CC(C)C[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nnc2ccccn21 ZINC000096117905 568697607 /nfs/dbraw/zinc/69/76/07/568697607.db2.gz WFAHWHKFFUUZED-SFHVURJKSA-N 0 0 419.489 2.518 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3c2cccc3NC(C)=O)n1 ZINC000096118523 568698061 /nfs/dbraw/zinc/69/80/61/568698061.db2.gz XWIGHZCMODZTLS-UHFFFAOYSA-N 0 0 400.460 2.801 50 0 HFAARN COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)CC1=O ZINC000096118744 568698451 /nfs/dbraw/zinc/69/84/51/568698451.db2.gz LPPBQULSPLCPAZ-KRWDZBQOSA-N 0 0 410.470 2.886 50 0 HFAARN COc1ccc(S(=O)(=O)N2CC(c3nc(COc4ccccc4)no3)C2)cc1F ZINC000227155180 568699403 /nfs/dbraw/zinc/69/94/03/568699403.db2.gz OTHROBWPCNCJBO-UHFFFAOYSA-N 0 0 419.434 2.584 50 0 HFAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124164 568700865 /nfs/dbraw/zinc/70/08/65/568700865.db2.gz PKZOEOSTBITKPR-UHFFFAOYSA-N 0 0 401.833 2.705 50 0 HFAARN COc1ccc2c(C)c(CC(=O)NCCc3nc4ccccc4[nH]3)c(=O)oc2c1OC ZINC000096221007 568704984 /nfs/dbraw/zinc/70/49/84/568704984.db2.gz XSVKOLZMTDYBAW-UHFFFAOYSA-N 0 0 421.453 2.896 50 0 biogenic HFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1C ZINC000021511551 568706642 /nfs/dbraw/zinc/70/66/42/568706642.db2.gz KFMLEHFGJJAPLQ-AWEZNQCLSA-N 0 0 420.506 2.817 50 0 HFAARN COc1ccc(N2CCC[C@H](C(=O)NCc3nc4ccccc4n3C(C)C)C2)nn1 ZINC000096231299 568707019 /nfs/dbraw/zinc/70/70/19/568707019.db2.gz BIOXCELRJRYTBF-INIZCTEOSA-N 0 0 408.506 2.949 50 0 HFAARN COc1ccccc1OCCN1C[C@H](C(=O)Nc2cc(Cl)ccc2O)CC1=O ZINC000096231368 568707191 /nfs/dbraw/zinc/70/71/91/568707191.db2.gz ASSPPMQSXYBXJZ-CYBMUJFWSA-N 0 0 404.850 2.920 50 0 HFAARN O=S1(=O)CC[C@@H](c2nn3c(nnc3-c3ccc(Br)s3)s2)C1 ZINC000096231516 568707321 /nfs/dbraw/zinc/70/73/21/568707321.db2.gz DDMIWTZXPXJCEM-ZCFIWIBFSA-N 0 0 405.324 2.579 50 0 HFAARN CC(C)n1c(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21 ZINC000096232245 568707959 /nfs/dbraw/zinc/70/79/59/568707959.db2.gz WRFPGOOBBMDKEP-SFHVURJKSA-N 0 0 419.485 2.744 50 0 HFAARN COc1ccc([C@@H](CC(=O)N2CCOCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530531 568710799 /nfs/dbraw/zinc/71/07/99/568710799.db2.gz KPIKUXKNZOTFGR-LJQANCHMSA-N 0 0 410.470 2.650 50 0 HFAARN Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000021533803 568711584 /nfs/dbraw/zinc/71/15/84/568711584.db2.gz ZMWWGEDCSOIXGU-UHFFFAOYSA-N 0 0 403.485 2.656 50 0 HFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)cc1 ZINC000000857018 568713194 /nfs/dbraw/zinc/71/31/94/568713194.db2.gz RNFPDFURVXMBBD-UHFFFAOYSA-N 0 0 409.511 2.897 50 0 HFAARN Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 ZINC000229753314 568715244 /nfs/dbraw/zinc/71/52/44/568715244.db2.gz FIHHTUWBDTVLIE-JLSDUUJJSA-N 0 0 400.527 2.966 50 0 HFAARN COc1ccc(CNS(=O)(=O)c2cc(OC)c(Br)cc2OC)cc1 ZINC000230516975 568717179 /nfs/dbraw/zinc/71/71/79/568717179.db2.gz NDHBOUMLNGWZMO-UHFFFAOYSA-N 0 0 416.293 2.953 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)c(OC)c1 ZINC000021576132 568719181 /nfs/dbraw/zinc/71/91/81/568719181.db2.gz HHBBOBUGQZFGDG-UHFFFAOYSA-N 0 0 403.439 2.546 50 0 HFAARN COCC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)CC1CC1 ZINC000096288734 568719623 /nfs/dbraw/zinc/71/96/23/568719623.db2.gz CJJWIZRGXGKMPI-UHFFFAOYSA-N 0 0 419.499 2.848 50 0 HFAARN NS(=O)(=O)c1ccc(CCNC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000012422210 568720887 /nfs/dbraw/zinc/72/08/87/568720887.db2.gz GFKMIGLXFXSQSD-UHFFFAOYSA-N 0 0 419.890 2.544 50 0 HFAARN C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000012438112 568723055 /nfs/dbraw/zinc/72/30/55/568723055.db2.gz MNPOCBFWNJHZHJ-OKILXGFUSA-N 0 0 415.925 2.618 50 0 biogenic HFAARN O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)NCCCNC(=O)c1ccccc1 ZINC000096301274 568723235 /nfs/dbraw/zinc/72/32/35/568723235.db2.gz BHKMHXJZAXHAQZ-NRFANRHFSA-N 0 0 407.514 2.547 50 0 HFAARN O=C(NCC1CCN(c2cc(-c3ccccn3)[nH]n2)CC1)c1ccc2c(c1)OCO2 ZINC000096309445 568723782 /nfs/dbraw/zinc/72/37/82/568723782.db2.gz TWAHXWODXYEJEI-UHFFFAOYSA-N 0 0 405.458 2.847 50 0 HFAARN Cc1ccc(C)c(CN2CCCN(CC(=O)NCc3ccc(F)cc3)S2(=O)=O)c1 ZINC000021629131 568724655 /nfs/dbraw/zinc/72/46/55/568724655.db2.gz RYRWJWKTORZPEV-UHFFFAOYSA-N 0 0 419.522 2.511 50 0 HFAARN CCc1nc(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc(F)cc1 ZINC000096317027 568726246 /nfs/dbraw/zinc/72/62/46/568726246.db2.gz GEEQCPCSYQJQOT-UHFFFAOYSA-N 0 0 420.554 2.974 50 0 HFAARN CCc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c[nH]2)o1 ZINC000096321601 568728821 /nfs/dbraw/zinc/72/88/21/568728821.db2.gz DKAAIWRJAOMNQT-UHFFFAOYSA-N 0 0 421.910 2.791 50 0 HFAARN O=S(=O)(NC[C@](O)(c1ccoc1)c1cccs1)c1cccc2nsnc21 ZINC000240122374 568730053 /nfs/dbraw/zinc/73/00/53/568730053.db2.gz VXMXNNHYGMJXOG-INIZCTEOSA-N 0 0 407.498 2.560 50 0 HFAARN Cc1ccc(NC(=O)CCNC(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)nc1 ZINC000240569388 568730350 /nfs/dbraw/zinc/73/03/50/568730350.db2.gz HAFDJDMQHRKRNK-UHFFFAOYSA-N 0 0 404.511 2.920 50 0 HFAARN O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc2scnc21 ZINC000242178824 568732266 /nfs/dbraw/zinc/73/22/66/568732266.db2.gz XBCVBPDASKAHPI-MRXNPFEDSA-N 0 0 403.529 2.648 50 0 HFAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)NC[C@@H]2CCCO2)C4)cc1 ZINC000096323766 568732742 /nfs/dbraw/zinc/73/27/42/568732742.db2.gz WHNVUMCCDODFRK-HNNXBMFYSA-N 0 0 413.503 2.713 50 0 HFAARN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000096324024 568733028 /nfs/dbraw/zinc/73/30/28/568733028.db2.gz QPHBLBIJYPDPMQ-UHFFFAOYSA-N 0 0 405.498 2.957 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 ZINC000005786810 568733113 /nfs/dbraw/zinc/73/31/13/568733113.db2.gz PDKDBYCBUUSBRI-UHFFFAOYSA-N 0 0 410.517 2.503 50 0 HFAARN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324597 568733838 /nfs/dbraw/zinc/73/38/38/568733838.db2.gz MAQBNTMWEZSNAT-UHFFFAOYSA-N 0 0 407.449 2.779 50 0 HFAARN O=C(c1ccccn1)N1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)[C@H](O)C1 ZINC000243902120 568734534 /nfs/dbraw/zinc/73/45/34/568734534.db2.gz BGGRDVABWMFTJO-TZMCWYRMSA-N 0 0 400.788 2.836 50 0 HFAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)COc2cc(C)ccc2C)C1=O ZINC000025048169 568737362 /nfs/dbraw/zinc/73/73/62/568737362.db2.gz OMRFGMSHFUBMNT-HOYKHHGWSA-N 0 0 424.497 2.835 50 0 HFAARN COc1ccc(C(=O)N2CCC[C@H](c3nc(CCNC(=O)C4CC4)cs3)C2)cn1 ZINC000096373199 568740680 /nfs/dbraw/zinc/74/06/80/568740680.db2.gz BCDBDRCCDDIRER-INIZCTEOSA-N 0 0 414.531 2.635 50 0 HFAARN COc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000000893885 568741564 /nfs/dbraw/zinc/74/15/64/568741564.db2.gz ISGNCYQFFQDEIJ-UHFFFAOYSA-N 0 0 411.483 2.602 50 0 HFAARN CCS(=O)(=O)Nc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3)n2)cc1 ZINC000021702519 568741802 /nfs/dbraw/zinc/74/18/02/568741802.db2.gz JIAJSZMCAHGKKV-CYBMUJFWSA-N 0 0 400.460 2.989 50 0 HFAARN CCS(=O)(=O)Nc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3)n2)cc1 ZINC000021702524 568741822 /nfs/dbraw/zinc/74/18/22/568741822.db2.gz JIAJSZMCAHGKKV-ZDUSSCGKSA-N 0 0 400.460 2.989 50 0 HFAARN O=C([C@H]1CCCN(c2cnc3nccnc3c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000096387213 568744069 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CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(F)cc1 ZINC000012526686 568843090 /nfs/dbraw/zinc/84/30/90/568843090.db2.gz UATWDLZRPNXDIT-UHFFFAOYSA-N 0 0 407.467 2.531 50 0 HFAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000057489556 568843746 /nfs/dbraw/zinc/84/37/46/568843746.db2.gz MQRQDZDSPFZUCU-UHFFFAOYSA-N 0 0 421.434 2.581 50 0 HFAARN O=C(Cn1c2ccsc2c(=O)n(-c2ccc(Cl)cc2)c1=O)N1CCCCC1 ZINC000057491954 568844261 /nfs/dbraw/zinc/84/42/61/568844261.db2.gz OUTNRSDABKUDOM-UHFFFAOYSA-N 0 0 403.891 2.880 50 0 HFAARN CCCCN(C)C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)c(C)c2)c1=O ZINC000057494367 568844727 /nfs/dbraw/zinc/84/47/27/568844727.db2.gz HELMXKPYTKAMDI-UHFFFAOYSA-N 0 0 403.479 2.920 50 0 HFAARN O=C(NCc1ccncc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000012533993 568844738 /nfs/dbraw/zinc/84/47/38/568844738.db2.gz DIHYUKXNPRFXHJ-UHFFFAOYSA-N 0 0 424.320 2.559 50 0 HFAARN CCN(C(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000012535027 568845051 /nfs/dbraw/zinc/84/50/51/568845051.db2.gz MKLSZLCOJWHVQD-PWSUYJOCSA-N 0 0 401.941 2.733 50 0 HFAARN Cc1cc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nc2ccccc12 ZINC000012538370 568846496 /nfs/dbraw/zinc/84/64/96/568846496.db2.gz VBOPUBQOJFPHTC-UHFFFAOYSA-N 0 0 414.575 2.694 50 0 HFAARN O=C(CSc1ncnc2nc(N3CCOCC3)sc21)Nc1ccc(F)cc1 ZINC000057506899 568847024 /nfs/dbraw/zinc/84/70/24/568847024.db2.gz YDAWBXVZIOIEAB-UHFFFAOYSA-N 0 0 405.480 2.793 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)cc1Cl ZINC000057507318 568847041 /nfs/dbraw/zinc/84/70/41/568847041.db2.gz XVUBAQHIYDEALE-UHFFFAOYSA-N 0 0 424.848 2.935 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(C)cc2ccccc21 ZINC000012543527 568849076 /nfs/dbraw/zinc/84/90/76/568849076.db2.gz IMVBCCDGWQOPKG-UHFFFAOYSA-N 0 0 401.488 2.847 50 0 HFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000057521788 568850225 /nfs/dbraw/zinc/85/02/25/568850225.db2.gz QYDCLVRRZIUXNK-UHFFFAOYSA-N 0 0 402.476 2.801 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NC2CCCCC2)cc1 ZINC000003284129 568851829 /nfs/dbraw/zinc/85/18/29/568851829.db2.gz XWXXYHCZNBAAIQ-KRWDZBQOSA-N 0 0 400.566 2.544 50 0 HFAARN CCOc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2cccc(C)c2C)CC1 ZINC000057554051 568853699 /nfs/dbraw/zinc/85/36/99/568853699.db2.gz ZKWRGTKHDHZHHB-UHFFFAOYSA-N 0 0 424.545 2.579 50 0 HFAARN COCCN(CCOC)C(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000012554784 568855026 /nfs/dbraw/zinc/85/50/26/568855026.db2.gz ZTVQAKJTXKOANA-LBPRGKRZSA-N 0 0 424.592 2.612 50 0 HFAARN COc1ccc(S(=O)(=O)NN(C)c2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000003104620 568855726 /nfs/dbraw/zinc/85/57/26/568855726.db2.gz PLXRCMUNPNQMAB-UHFFFAOYSA-N 0 0 412.393 2.987 50 0 HFAARN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012556465 568855782 /nfs/dbraw/zinc/85/57/82/568855782.db2.gz UQROAHKZKDIUCU-IBGZPJMESA-N 0 0 423.908 2.966 50 0 HFAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000012557077 568856191 /nfs/dbraw/zinc/85/61/91/568856191.db2.gz DFHCYKKMVPCYLN-SFHVURJKSA-N 0 0 404.488 2.795 50 0 HFAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000012557078 568856222 /nfs/dbraw/zinc/85/62/22/568856222.db2.gz DFHCYKKMVPCYLN-GOSISDBHSA-N 0 0 404.488 2.795 50 0 HFAARN CCCCn1c2nc(CN[C@H](C)c3ccc(F)c(F)c3)n(CC)c2c(=O)[nH]c1=O ZINC000012559074 568856896 /nfs/dbraw/zinc/85/68/96/568856896.db2.gz WVNKVXNNNHWGAN-GFCCVEGCSA-N 0 0 405.449 2.835 50 0 HFAARN COCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc2c(c1)OCCO2 ZINC000003429402 568859003 /nfs/dbraw/zinc/85/90/03/568859003.db2.gz YBGVQTOCNTXZJP-UHFFFAOYSA-N 0 0 412.467 2.789 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000003437280 568859411 /nfs/dbraw/zinc/85/94/11/568859411.db2.gz JMWSYHHBSDHJDG-UHFFFAOYSA-N 0 0 416.499 2.965 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003440967 568859560 /nfs/dbraw/zinc/85/95/60/568859560.db2.gz AGOFBXAJSYOPBF-UHFFFAOYSA-N 0 0 408.423 2.757 50 0 HFAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000003464079 568860192 /nfs/dbraw/zinc/86/01/92/568860192.db2.gz LLPGZGQEUWLWAJ-HXUWFJFHSA-N 0 0 403.841 2.953 50 0 HFAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000012567887 568860501 /nfs/dbraw/zinc/86/05/01/568860501.db2.gz JDHVAGWTOLAADZ-QHCPKHFHSA-N 0 0 417.421 2.974 50 0 HFAARN O=C1CCCN1c1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 ZINC000012568734 568861220 /nfs/dbraw/zinc/86/12/20/568861220.db2.gz NCKJSFQILCFTHR-UHFFFAOYSA-N 0 0 400.504 2.605 50 0 HFAARN O=C(C=Cc1ccccc1)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000334158415 568862771 /nfs/dbraw/zinc/86/27/71/568862771.db2.gz MTGCKWMIAAKLDM-YMWACUIWSA-N 0 0 407.495 2.984 50 0 HFAARN Cc1cc(=NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159230 568863136 /nfs/dbraw/zinc/86/31/36/568863136.db2.gz NRZFJAUNXGCXHZ-VQIMIIECSA-N 0 0 403.548 2.914 50 0 HFAARN COCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc21 ZINC000003222239 568863800 /nfs/dbraw/zinc/86/38/00/568863800.db2.gz AKJHGJRXCASPTF-UHFFFAOYSA-N 0 0 421.457 2.549 50 0 HFAARN COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)c2cnccn2)cc1 ZINC000003615359 568864161 /nfs/dbraw/zinc/86/41/61/568864161.db2.gz JFXFGFPNLWUNGX-HXUWFJFHSA-N 0 0 406.442 2.946 50 0 HFAARN O=C(CNC(c1ccccc1)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000057868878 568864368 /nfs/dbraw/zinc/86/43/68/568864368.db2.gz GAAZTBUPGBTXBJ-UHFFFAOYSA-N 0 0 406.486 2.652 50 0 HFAARN Cc1nc(=S)[nH]c(C)c1CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012585267 568866107 /nfs/dbraw/zinc/86/61/07/568866107.db2.gz DHQQCQVRDYVNAD-UHFFFAOYSA-N 0 0 414.531 2.762 50 0 HFAARN Cc1cccc(N2CCN(C(=O)Cn3nnc(-c4cccc(Cl)c4)n3)CC2)c1C ZINC000012585819 568866323 /nfs/dbraw/zinc/86/63/23/568866323.db2.gz GTLJQWOZQPTMOS-UHFFFAOYSA-N 0 0 410.909 2.959 50 0 HFAARN CCc1c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cnn1-c1ccc(OC)nn1 ZINC000030478977 568867254 /nfs/dbraw/zinc/86/72/54/568867254.db2.gz VEWIHVSZLQCVPX-UHFFFAOYSA-N 0 0 420.473 2.722 50 0 HFAARN Cc1cc(C)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 ZINC000003264297 568869564 /nfs/dbraw/zinc/86/95/64/568869564.db2.gz SGNRGWDUWYQSPY-UHFFFAOYSA-N 0 0 404.488 2.658 50 0 HFAARN CN1C(=O)Cc2cc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)ccc21 ZINC000012600861 568869944 /nfs/dbraw/zinc/86/99/44/568869944.db2.gz SMAZKIFUJJXPKE-CYBMUJFWSA-N 0 0 404.517 2.623 50 0 HFAARN COc1cc(NC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000003272492 568870660 /nfs/dbraw/zinc/87/06/60/568870660.db2.gz DPFFCBXZIGDKNA-SOFGYWHQSA-N 0 0 401.415 2.916 50 0 HFAARN CCCn1c(-c2ccc3c(c2)OCCO3)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000012604440 568870825 /nfs/dbraw/zinc/87/08/25/568870825.db2.gz FHUIHRVOSFDQDL-UHFFFAOYSA-N 0 0 418.453 2.783 50 0 HFAARN CCc1nn2c(nc(CSc3nncn3-c3ccccc3OC)cc2=O)s1 ZINC000012606845 568871294 /nfs/dbraw/zinc/87/12/94/568871294.db2.gz VVBXUOGFSNSTNW-UHFFFAOYSA-N 0 0 400.489 2.595 50 0 HFAARN CCc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000003281978 568871809 /nfs/dbraw/zinc/87/18/09/568871809.db2.gz YOFYSSFHYFJYCR-GOEBONIOSA-N 0 0 424.453 2.901 50 0 HFAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012617338 568872242 /nfs/dbraw/zinc/87/22/42/568872242.db2.gz GZRMCDFKFOKDPE-UHFFFAOYSA-N 0 0 422.432 2.733 50 0 HFAARN Cc1nc(-c2ccc(CNC(=O)CCc3c(C)nc4nc(N)nn4c3C)o2)cs1 ZINC000012619551 568872418 /nfs/dbraw/zinc/87/24/18/568872418.db2.gz UJZANRSHICGKLS-UHFFFAOYSA-N 0 0 411.491 2.597 50 0 HFAARN CC[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2C)CC1 ZINC000058009383 568875401 /nfs/dbraw/zinc/87/54/01/568875401.db2.gz VXYHHCDXAWJIQL-UHFFFAOYSA-N 0 0 417.531 2.944 50 0 HFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000003298196 568875565 /nfs/dbraw/zinc/87/55/65/568875565.db2.gz HKALDQSJGIPEML-UHFFFAOYSA-N 0 0 413.499 2.850 50 0 HFAARN COc1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1 ZINC000003301368 568876541 /nfs/dbraw/zinc/87/65/41/568876541.db2.gz SFBVQTLFPCAHGN-YEJXKQKISA-N 0 0 403.479 2.779 50 0 HFAARN COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C/C=C/c1ccccc1)CC2 ZINC000299800909 568876660 /nfs/dbraw/zinc/87/66/60/568876660.db2.gz JLNWECALFGYFJC-JXMROGBWSA-N 0 0 407.514 2.664 50 0 HFAARN O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1CCCN(c2ccccn2)C1 ZINC000299800401 568876703 /nfs/dbraw/zinc/87/67/03/568876703.db2.gz WEKOGMHVWGFBSF-OALUTQOASA-N 0 0 415.497 2.875 50 0 HFAARN Cc1ccc(CN2C[C@H](C(=O)NCc3ccc(Cn4cccn4)cc3)CC2=O)cc1 ZINC000012625509 568878350 /nfs/dbraw/zinc/87/83/50/568878350.db2.gz SVQLTLUUILUTDB-JOCHJYFZSA-N 0 0 402.498 2.905 50 0 HFAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2c(c1)NC(=O)CO2 ZINC000003323828 568880820 /nfs/dbraw/zinc/88/08/20/568880820.db2.gz IWMRSBQSAMXOLU-UHFFFAOYSA-N 0 0 420.377 2.903 50 0 HFAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000263588137 568883520 /nfs/dbraw/zinc/88/35/20/568883520.db2.gz PMKDOOVQAKRRDG-UHFFFAOYSA-N 0 0 405.458 2.945 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCCc2ccccc2)cc1 ZINC000015391191 568885052 /nfs/dbraw/zinc/88/50/52/568885052.db2.gz NPTGVGATJSQGTJ-LJQANCHMSA-N 0 0 416.543 2.987 50 0 HFAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1nc(-c2cccnc2)no1 ZINC000670438874 568885276 /nfs/dbraw/zinc/88/52/76/568885276.db2.gz NPJRQFMYCFBZRI-UHFFFAOYSA-N 0 0 401.426 2.995 50 0 HFAARN CCCCN(C(=O)Cc1c[nH]c2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003350830 568885732 /nfs/dbraw/zinc/88/57/32/568885732.db2.gz VRVPCVDCGDFZOR-UHFFFAOYSA-N 0 0 411.506 2.632 50 0 HFAARN CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003356775 568886913 /nfs/dbraw/zinc/88/69/13/568886913.db2.gz PNQIHIYOOIQPLE-AWEZNQCLSA-N 0 0 415.515 2.712 50 0 HFAARN CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000003356812 568886921 /nfs/dbraw/zinc/88/69/21/568886921.db2.gz NCNSZQVEILSRDE-UHFFFAOYSA-N 0 0 413.478 2.951 50 0 HFAARN CC(C)c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1N ZINC000003364603 568888969 /nfs/dbraw/zinc/88/89/69/568888969.db2.gz BJIFOASENZHFHP-UHFFFAOYSA-N 0 0 406.256 2.887 50 0 HFAARN Cc1nnc(SCC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)s1 ZINC000003388706 568894022 /nfs/dbraw/zinc/89/40/22/568894022.db2.gz YBVVGNRMJMJLPW-UHFFFAOYSA-N 0 0 413.333 2.532 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1C ZINC000003390958 568894341 /nfs/dbraw/zinc/89/43/41/568894341.db2.gz AAEPZCAWTFHXPR-UHFFFAOYSA-N 0 0 416.499 2.883 50 0 HFAARN NC(=O)c1ccc(CNC(=O)C2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000058167586 568895375 /nfs/dbraw/zinc/89/53/75/568895375.db2.gz CWYLBZOTNLQXTJ-UHFFFAOYSA-N 0 0 418.497 2.969 50 0 HFAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1 ZINC000003397754 568895607 /nfs/dbraw/zinc/89/56/07/568895607.db2.gz ZRFHGGRMYDCAEC-UHFFFAOYSA-N 0 0 406.398 2.533 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000003405722 568897105 /nfs/dbraw/zinc/89/71/05/568897105.db2.gz WTEBFNKOXWVLNZ-UHFFFAOYSA-N 0 0 400.456 2.588 50 0 HFAARN CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2sc3c(c2c1=O)CCCC3 ZINC000003411068 568898106 /nfs/dbraw/zinc/89/81/06/568898106.db2.gz IHGQRTDDMDTHAO-GFCCVEGCSA-N 0 0 407.561 2.744 50 0 HFAARN Nn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1ccccc1F ZINC000003438651 568903164 /nfs/dbraw/zinc/90/31/64/568903164.db2.gz ASZGZALDIORIQD-UHFFFAOYSA-N 0 0 405.886 2.902 50 0 HFAARN CC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003446998 568904675 /nfs/dbraw/zinc/90/46/75/568904675.db2.gz KHGQKVIMVYXLBH-CQSZACIVSA-N 0 0 404.488 2.573 50 0 HFAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000003459690 568906812 /nfs/dbraw/zinc/90/68/12/568906812.db2.gz WAZFPBDGIIFHEO-JPYJTQIMSA-N 0 0 409.486 2.934 50 0 HFAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1Cl ZINC000003472232 568907832 /nfs/dbraw/zinc/90/78/32/568907832.db2.gz FJQHOCNNBLNXBD-UHFFFAOYSA-N 0 0 410.879 2.622 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CCn3cncn3)cc2)cc1C ZINC000012685366 568908285 /nfs/dbraw/zinc/90/82/85/568908285.db2.gz XCVHJPHGNIGOIG-UHFFFAOYSA-N 0 0 414.487 2.716 50 0 HFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cc(F)cc(F)c4)c3CO2)cc1 ZINC000263615195 568910382 /nfs/dbraw/zinc/91/03/82/568910382.db2.gz BBWQMDMZMWHMKK-SFHVURJKSA-N 0 0 400.385 2.766 50 0 HFAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)c(F)c3)C2=O)cc1OC ZINC000003503046 568910557 /nfs/dbraw/zinc/91/05/57/568910557.db2.gz WZRYFGKUHKXITQ-OAQYLSRUSA-N 0 0 415.421 2.557 50 0 HFAARN Cc1ccccc1NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O ZINC000263616368 568910948 /nfs/dbraw/zinc/91/09/48/568910948.db2.gz IHYLZMQXYLVSBF-UHFFFAOYSA-N 0 0 406.417 2.742 50 0 HFAARN CCOC(=O)c1sc(NC(=O)COC(=O)c2ccncc2)c(C(=O)OCC)c1C ZINC000003509005 568910991 /nfs/dbraw/zinc/91/09/91/568910991.db2.gz BNHAWLMRIYWCOV-UHFFFAOYSA-N 0 0 420.443 2.600 50 0 HFAARN O[C@H](c1ccccc1)[C@@]1(Cn2cncn2)Oc2ccc(Br)cc2[C@@H]1O ZINC000001298514 568913168 /nfs/dbraw/zinc/91/31/68/568913168.db2.gz PUFULJXDVNELAP-FGTMMUONSA-N 0 0 402.248 2.639 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1 ZINC000004135032 568915868 /nfs/dbraw/zinc/91/58/68/568915868.db2.gz MDULAMOSEOHMIQ-UHFFFAOYSA-N 0 0 415.471 2.815 50 0 HFAARN COc1cc(OC)cc([C@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccc(F)cc2)C3)c1 ZINC000004143933 568916175 /nfs/dbraw/zinc/91/61/75/568916175.db2.gz USZDAQGNFTYDBX-HXUWFJFHSA-N 0 0 411.433 2.836 50 0 HFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000031173923 568917022 /nfs/dbraw/zinc/91/70/22/568917022.db2.gz YSJPMACSVZEPCF-MRXNPFEDSA-N 0 0 415.440 2.801 50 0 HFAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1 ZINC000004479868 568917715 /nfs/dbraw/zinc/91/77/15/568917715.db2.gz MKTIYCDNIVNEDI-UHFFFAOYSA-N 0 0 414.512 2.987 50 0 HFAARN CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2)c1=O ZINC000004165811 568918947 /nfs/dbraw/zinc/91/89/47/568918947.db2.gz XEOCAPWGPOGFHP-UHFFFAOYSA-N 0 0 403.442 2.928 50 0 HFAARN CCOc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000004166012 568918957 /nfs/dbraw/zinc/91/89/57/568918957.db2.gz GDLUHPXRYMLSIL-UHFFFAOYSA-N 0 0 407.405 2.759 50 0 HFAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)NC1CCCCC1 ZINC000004166440 568919203 /nfs/dbraw/zinc/91/92/03/568919203.db2.gz HIWQNVZYAAOLOG-UHFFFAOYSA-N 0 0 400.483 2.950 50 0 HFAARN Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000003609732 568919778 /nfs/dbraw/zinc/91/97/78/568919778.db2.gz VNBYMDLVPIQXRD-MRXNPFEDSA-N 0 0 422.934 2.949 50 0 HFAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(OC(F)(F)F)cc2)NC(=S)N1C ZINC000058452692 568919799 /nfs/dbraw/zinc/91/97/99/568919799.db2.gz PHJXKWCRUWGBIE-OAHLLOKOSA-N 0 0 415.437 2.579 50 0 HFAARN CCOC(CNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)OCC ZINC000003646030 568922189 /nfs/dbraw/zinc/92/21/89/568922189.db2.gz GLYROEHCYJCSKU-UHFFFAOYSA-N 0 0 404.536 2.808 50 0 HFAARN COc1ncccc1CNC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000031318458 568922988 /nfs/dbraw/zinc/92/29/88/568922988.db2.gz SVJKSPPRIIRQCK-LBPRGKRZSA-N 0 0 418.544 2.943 50 0 HFAARN COCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000003657255 568923127 /nfs/dbraw/zinc/92/31/27/568923127.db2.gz OWDRKYIEOMMTCJ-VQTJNVASSA-N 0 0 400.450 2.515 50 0 HFAARN CCn1c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nnc1-c1ccco1 ZINC000025843843 568924220 /nfs/dbraw/zinc/92/42/20/568924220.db2.gz UMMRJQBBFIUVRK-UHFFFAOYSA-N 0 0 422.532 2.979 50 0 HFAARN O=C1C(=O)N(Cc2nc(-c3ccccc3Cl)no2)C(=O)N1CCc1cccs1 ZINC000012736591 568925550 /nfs/dbraw/zinc/92/55/50/568925550.db2.gz DAKURFYPZVANNY-UHFFFAOYSA-N 0 0 416.846 2.985 50 0 HFAARN COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)on2)cc1 ZINC000001398118 568925840 /nfs/dbraw/zinc/92/58/40/568925840.db2.gz OIJZNZSWYQOBAI-UHFFFAOYSA-N 0 0 401.444 2.787 50 0 HFAARN Cn1c(=O)n(Cc2cccc(Br)c2)c(=O)c2ccc(C(F)(F)F)nc21 ZINC000031451807 568926568 /nfs/dbraw/zinc/92/65/68/568926568.db2.gz PMCUDJMEXTZOPT-UHFFFAOYSA-N 0 0 414.181 2.925 50 0 HFAARN COc1ccc(COC[C@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000031561371 568928289 /nfs/dbraw/zinc/92/82/89/568928289.db2.gz IYMHNIFEJDGORE-MRXNPFEDSA-N 0 0 419.279 2.689 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1C ZINC000031729245 568929919 /nfs/dbraw/zinc/92/99/19/568929919.db2.gz FNPXTDNMCQIIJJ-UHFFFAOYSA-N 0 0 419.522 2.967 50 0 HFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cnn4c3nc(C)cc4C)c2)n1 ZINC000053086356 568930115 /nfs/dbraw/zinc/93/01/15/568930115.db2.gz GGIHCVVMVXMGPG-UHFFFAOYSA-N 0 0 404.430 2.961 50 0 HFAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)c1ccc(F)cc1 ZINC000031753973 568930336 /nfs/dbraw/zinc/93/03/36/568930336.db2.gz MOEVVJNRQYNSEE-AWEZNQCLSA-N 0 0 423.535 2.520 50 0 HFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000031810633 568932536 /nfs/dbraw/zinc/93/25/36/568932536.db2.gz WVJPJBOGNQBUIA-HNNXBMFYSA-N 0 0 413.413 2.900 50 0 HFAARN CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)N1CCCC1 ZINC000031819417 568932978 /nfs/dbraw/zinc/93/29/78/568932978.db2.gz YSFJMXJOYRZDBF-UHFFFAOYSA-N 0 0 422.514 2.661 50 0 HFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)CC)[C@@H](c3ccccc3)C2)c1 ZINC000004036240 568935313 /nfs/dbraw/zinc/93/53/13/568935313.db2.gz NDIRUCZKLAIEJB-LJQANCHMSA-N 0 0 421.544 2.949 50 0 HFAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)ccc1C ZINC000016649107 568935346 /nfs/dbraw/zinc/93/53/46/568935346.db2.gz CNKSDLAEMDSKHC-UHFFFAOYSA-N 0 0 402.454 2.766 50 0 HFAARN O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000004043454 568936018 /nfs/dbraw/zinc/93/60/18/568936018.db2.gz CJGDSISGEYIGNY-ZVDOUQERSA-N 0 0 421.497 2.595 50 0 biogenic HFAARN CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)CC1 ZINC000004057589 568936784 /nfs/dbraw/zinc/93/67/84/568936784.db2.gz PVTIYQAXFNIBPX-UHFFFAOYSA-N 0 0 422.485 2.588 50 0 HFAARN CCOC(=O)[C@]1(C)c2[nH]c3ccccc3c2CCN1C(=O)N[C@H](C(=O)OC)C(C)C ZINC000004064227 568937288 /nfs/dbraw/zinc/93/72/88/568937288.db2.gz NWEDVUIFUWYRJU-JTSKRJEESA-N 0 0 415.490 2.712 50 0 biogenic HFAARN CCOC(=O)CN1C(=O)O[C@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1 ZINC000001428097 568939710 /nfs/dbraw/zinc/93/97/10/568939710.db2.gz 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CC1(C)CCc2c(cc(OCC(=O)NCCCO)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000004090019 568941900 /nfs/dbraw/zinc/94/19/00/568941900.db2.gz HCCVSBBYOCLHGS-UHFFFAOYSA-N 0 0 415.486 2.653 50 0 biogenic HFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1C1CC1 ZINC000012754666 568942464 /nfs/dbraw/zinc/94/24/64/568942464.db2.gz NYPSPEXEKFVIMK-UHFFFAOYSA-N 0 0 401.532 2.728 50 0 HFAARN CCCn1c2ccccc2n(CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1=O ZINC000012755742 568942825 /nfs/dbraw/zinc/94/28/25/568942825.db2.gz MROVAMMBAPZVCG-UHFFFAOYSA-N 0 0 408.502 2.927 50 0 HFAARN CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012755971 568942921 /nfs/dbraw/zinc/94/29/21/568942921.db2.gz JGIDSIDZDDSFFY-GJZGRUSLSA-N 0 0 419.503 2.531 50 0 HFAARN COc1ccccc1CCNC(=O)NCC(=O)Nc1ccccc1Br ZINC000012759990 568943965 /nfs/dbraw/zinc/94/39/65/568943965.db2.gz OCNKHGUAOACAHA-UHFFFAOYSA-N 0 0 406.280 2.938 50 0 HFAARN Cc1cccc(-n2ncc3c2ncnc3N2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000004111060 568944092 /nfs/dbraw/zinc/94/40/92/568944092.db2.gz SGRCQLRVXOZFFH-UHFFFAOYSA-N 0 0 400.490 2.857 50 0 HFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000084200561 568944413 /nfs/dbraw/zinc/94/44/13/568944413.db2.gz VMHCXXISFQYPPP-NVXWUHKLSA-N 0 0 414.506 2.965 50 0 HFAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCSc1ccc(Cl)cc1 ZINC000012760567 568945055 /nfs/dbraw/zinc/94/50/55/568945055.db2.gz XYACBIYHBGZWAX-UHFFFAOYSA-N 0 0 403.891 2.642 50 0 HFAARN O=C(CN1CCCS1(=O)=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000084364329 568947442 /nfs/dbraw/zinc/94/74/42/568947442.db2.gz NTTQNNKMNOTWCA-UHFFFAOYSA-N 0 0 404.454 2.669 50 0 HFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000084500121 568949684 /nfs/dbraw/zinc/94/96/84/568949684.db2.gz VGOASETVZCOBRP-LLVKDONJSA-N 0 0 401.362 2.550 50 0 HFAARN O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccc(O)cc1 ZINC000084502012 568949801 /nfs/dbraw/zinc/94/98/01/568949801.db2.gz ZKZGUAJXZOHZSD-HZPDHXFCSA-N 0 0 408.376 2.941 50 0 HFAARN COc1ccc(OCCN(C)C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000012769090 568950246 /nfs/dbraw/zinc/95/02/46/568950246.db2.gz GKSSJXPSIBITJV-UHFFFAOYSA-N 0 0 401.488 2.621 50 0 HFAARN O=C(CCCN1C(=O)CNC1=O)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000012770091 568950532 /nfs/dbraw/zinc/95/05/32/568950532.db2.gz FQVFJAKHEUNXKH-QFIPXVFZSA-N 0 0 419.437 2.967 50 0 HFAARN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1cccc2ncccc21 ZINC000084579247 568951249 /nfs/dbraw/zinc/95/12/49/568951249.db2.gz JNVSMVRBPIFZAH-OAQYLSRUSA-N 0 0 400.438 2.649 50 0 HFAARN Cc1ccc(Cl)c(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000012770816 568951717 /nfs/dbraw/zinc/95/17/17/568951717.db2.gz LZMWNXHMANFQGU-UHFFFAOYSA-N 0 0 424.906 2.687 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccco4)no3)CC2)c(C)c1 ZINC000012774058 568953129 /nfs/dbraw/zinc/95/31/29/568953129.db2.gz SMICMNKXUXZNRR-UHFFFAOYSA-N 0 0 416.503 2.761 50 0 HFAARN Cc1nc2ccccc2c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000004240156 568953227 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0 HFAARN Cc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c[nH]2)o1 ZINC000085621652 569004826 /nfs/dbraw/zinc/00/48/26/569004826.db2.gz YXBVYABMOVBOPP-UHFFFAOYSA-N 0 0 401.492 2.501 50 0 HFAARN COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000013670679 569004873 /nfs/dbraw/zinc/00/48/73/569004873.db2.gz DKBXSYYJXUBMDD-UHFFFAOYSA-N 0 0 416.499 2.821 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4o3)CC2)cc1Cl ZINC000085649938 569005668 /nfs/dbraw/zinc/00/56/68/569005668.db2.gz JQIWBDDKGVHKTP-UHFFFAOYSA-N 0 0 421.906 2.996 50 0 HFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCSCc1ccccc1 ZINC000026064049 569005717 /nfs/dbraw/zinc/00/57/17/569005717.db2.gz FVDDXWGQURHDFQ-FQEVSTJZSA-N 0 0 418.584 2.813 50 0 HFAARN Cc1ccc2oc(CN3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nc2c1 ZINC000085650008 569005741 /nfs/dbraw/zinc/00/57/41/569005741.db2.gz JDLZZRKUKNXDLB-UHFFFAOYSA-N 0 0 407.442 2.921 50 0 HFAARN CN(C)c1cccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1 ZINC000085653934 569006193 /nfs/dbraw/zinc/00/61/93/569006193.db2.gz VFEXCQHMIOVEMC-UHFFFAOYSA-N 0 0 417.513 2.651 50 0 HFAARN COc1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000015786800 569007717 /nfs/dbraw/zinc/00/77/17/569007717.db2.gz ACTGFUZNWBGOQH-UHFFFAOYSA-N 0 0 421.862 2.636 50 0 HFAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000085874920 569009461 /nfs/dbraw/zinc/00/94/61/569009461.db2.gz WOHIOZRUSDRWTL-JXFKEZNVSA-N 0 0 412.394 2.972 50 0 biogenic HFAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c(OC)c1 ZINC000085875293 569009505 /nfs/dbraw/zinc/00/95/05/569009505.db2.gz ZEVWTLXHZCJOMW-IUYMFKLXSA-N 0 0 421.453 2.912 50 0 biogenic HFAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2nc3nccc(C)n3n2)o1 ZINC000012853709 569010817 /nfs/dbraw/zinc/01/08/17/569010817.db2.gz ARCGWUKYIGSPFZ-UHFFFAOYSA-N 0 0 417.385 2.803 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCCCCC2=O)c1 ZINC000012855198 569010948 /nfs/dbraw/zinc/01/09/48/569010948.db2.gz MOMNTTKXNRJUFL-UHFFFAOYSA-N 0 0 423.579 2.548 50 0 HFAARN CCN(CC)C(=O)CN1c2ccccc2S(=O)(=O)N(c2ccc(C)cc2)C1=O ZINC000015826899 569011623 /nfs/dbraw/zinc/01/16/23/569011623.db2.gz SHSMIOMKUYEZQJ-UHFFFAOYSA-N 0 0 401.488 2.999 50 0 HFAARN COC(=O)C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(OC)c(OC)c1 ZINC000012866125 569012094 /nfs/dbraw/zinc/01/20/94/569012094.db2.gz ILJLJWUBPPKNPV-GOSISDBHSA-N 0 0 409.442 2.924 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000012877913 569013842 /nfs/dbraw/zinc/01/38/42/569013842.db2.gz RHOJVCYORZMHJB-UHFFFAOYSA-N 0 0 420.556 2.710 50 0 HFAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(I)cc3)cc2o1 ZINC000006142825 569014407 /nfs/dbraw/zinc/01/44/07/569014407.db2.gz URMUEZMEGDVBMJ-UHFFFAOYSA-N 0 0 416.196 2.527 50 0 HFAARN Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858317 569014777 /nfs/dbraw/zinc/01/47/77/569014777.db2.gz BSFIHDWDQVAUOX-CYBMUJFWSA-N 0 0 406.891 2.891 50 0 HFAARN COc1ccc(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000035268857 569015769 /nfs/dbraw/zinc/01/57/69/569015769.db2.gz JXJHNZNWPJKXQN-UHFFFAOYSA-N 0 0 417.506 2.709 50 0 HFAARN CN(c1ccc(OCC(=O)NCc2ccncc2)cc1)S(=O)(=O)c1cccs1 ZINC000006167962 569016178 /nfs/dbraw/zinc/01/61/78/569016178.db2.gz UZYDCEBBZGJYLG-UHFFFAOYSA-N 0 0 417.512 2.663 50 0 HFAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1 ZINC000015864547 569016603 /nfs/dbraw/zinc/01/66/03/569016603.db2.gz BAPFSDBTNPEAJJ-UHFFFAOYSA-N 0 0 418.496 2.947 50 0 HFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1ccc(OC)cc1 ZINC000015868379 569017093 /nfs/dbraw/zinc/01/70/93/569017093.db2.gz AXMSOOODBNFLBD-UHFFFAOYSA-N 0 0 405.501 2.952 50 0 HFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NCc1ccc(F)cc1 ZINC000015868384 569017097 /nfs/dbraw/zinc/01/70/97/569017097.db2.gz OLMGJFGNNZIOCK-UHFFFAOYSA-N 0 0 407.492 2.760 50 0 HFAARN O=C(CCn1cnc2ccccc2c1=O)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000026127842 569017517 /nfs/dbraw/zinc/01/75/17/569017517.db2.gz UJUREUHMWZFQMD-UHFFFAOYSA-N 0 0 400.818 2.955 50 0 HFAARN COc1cccc(OC)c1C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1 ZINC000015880810 569018069 /nfs/dbraw/zinc/01/80/69/569018069.db2.gz VYRABHHJJCTIFF-UHFFFAOYSA-N 0 0 413.455 2.817 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)cc1 ZINC000015881284 569018444 /nfs/dbraw/zinc/01/84/44/569018444.db2.gz HCRMYPZODGTPQY-UHFFFAOYSA-N 0 0 407.426 2.979 50 0 HFAARN CC(C)Cc1cnc2c(c1SCC(=O)N(C(C)C)C(C)C)c(=O)n(C)c(=O)n2C ZINC000015883730 569019482 /nfs/dbraw/zinc/01/94/82/569019482.db2.gz OWSAKBAAXOMIEN-UHFFFAOYSA-N 0 0 420.579 2.568 50 0 HFAARN CN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000012889535 569019855 /nfs/dbraw/zinc/01/98/55/569019855.db2.gz SMSLCUHESMPABZ-MRXNPFEDSA-N 0 0 408.593 2.992 50 0 HFAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)CNC(=O)c1cccs1 ZINC000012899125 569020291 /nfs/dbraw/zinc/02/02/91/569020291.db2.gz SZOSOOBQFYLGSM-UHFFFAOYSA-N 0 0 403.504 2.539 50 0 HFAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](CO)C(C)C)c(C)c13)CCC(C)(C)O2 ZINC000012898968 569020515 /nfs/dbraw/zinc/02/05/15/569020515.db2.gz TVZBKPRHUQPKCA-MRXNPFEDSA-N 0 0 417.502 2.889 50 0 biogenic HFAARN NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000012903239 569020975 /nfs/dbraw/zinc/02/09/75/569020975.db2.gz NNLUUPDVHDOECU-MRXNPFEDSA-N 0 0 413.275 2.911 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1 ZINC000012912269 569021916 /nfs/dbraw/zinc/02/19/16/569021916.db2.gz NUNZCUQKUNTKNV-HSZRJFAPSA-N 0 0 420.469 2.971 50 0 biogenic HFAARN COc1cc2c(cc1OC)CN(CN1C(=O)N[C@@](C)(c3ccc(F)cc3)C1=O)CC2 ZINC000012913802 569022066 /nfs/dbraw/zinc/02/20/66/569022066.db2.gz GVJUKKCMZGMNPD-QFIPXVFZSA-N 0 0 413.449 2.626 50 0 HFAARN CNC(=O)c1ccc(CN(C)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012914196 569022115 /nfs/dbraw/zinc/02/21/15/569022115.db2.gz VMYNZKCKAHPBND-AWEZNQCLSA-N 0 0 414.893 2.946 50 0 HFAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000012915953 569022570 /nfs/dbraw/zinc/02/25/70/569022570.db2.gz CEESBFBRJHWTTG-FGZHOGPDSA-N 0 0 420.513 2.713 50 0 HFAARN Cc1csc2nc(CN3CCN(C(=O)C(C)(C)c4ccccc4)CC3)cc(=O)n12 ZINC000012918303 569022690 /nfs/dbraw/zinc/02/26/90/569022690.db2.gz BTTURSPUAWHVCQ-UHFFFAOYSA-N 0 0 410.543 2.686 50 0 HFAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 ZINC000015941947 569024190 /nfs/dbraw/zinc/02/41/90/569024190.db2.gz VXIKWTRWPRTGRV-CYBMUJFWSA-N 0 0 418.500 2.769 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 ZINC000012930468 569024625 /nfs/dbraw/zinc/02/46/25/569024625.db2.gz MSBCWFCIIWKBSH-INIZCTEOSA-N 0 0 404.488 2.747 50 0 HFAARN O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C1(c2ccccc2)CCOCC1 ZINC000575414406 569025026 /nfs/dbraw/zinc/02/50/26/569025026.db2.gz CSYBIHWGUNKJHK-OAHLLOKOSA-N 0 0 408.424 2.767 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)N1CCCc2c(C(=O)NC(C)C)cccc21 ZINC000012934236 569025714 /nfs/dbraw/zinc/02/57/14/569025714.db2.gz JJLJGOWXXOPBIB-UHFFFAOYSA-N 0 0 422.528 2.814 50 0 HFAARN Cc1nc(-c2ccc(CCNC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)cs1 ZINC000012935468 569026606 /nfs/dbraw/zinc/02/66/06/569026606.db2.gz UBLIZNHPZJAAOY-UHFFFAOYSA-N 0 0 411.531 2.562 50 0 HFAARN O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1cc(Cl)ccc1Cl ZINC000012944395 569028962 /nfs/dbraw/zinc/02/89/62/569028962.db2.gz LNIUSAKUFTVWMS-UHFFFAOYSA-N 0 0 402.303 2.704 50 0 HFAARN CCOc1ccc(NC(=O)NCC(=O)Nc2cccc(C(=O)NC)c2)cc1OCC ZINC000012945483 569029077 /nfs/dbraw/zinc/02/90/77/569029077.db2.gz JDNISZDXLXMHAF-UHFFFAOYSA-N 0 0 414.462 2.604 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000012950102 569029453 /nfs/dbraw/zinc/02/94/53/569029453.db2.gz GGGGBHHHYDCAFF-UHFFFAOYSA-N 0 0 423.922 2.634 50 0 HFAARN Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000006203490 569032547 /nfs/dbraw/zinc/03/25/47/569032547.db2.gz QKOZXDCPWYZHRF-UHFFFAOYSA-N 0 0 416.499 2.883 50 0 HFAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575614283 569032771 /nfs/dbraw/zinc/03/27/71/569032771.db2.gz YKUJCFRTVQWXGS-ZDUSSCGKSA-N 0 0 405.373 2.867 50 0 HFAARN Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000637329 569032931 /nfs/dbraw/zinc/03/29/31/569032931.db2.gz MLNKDSYAHPPVRH-UHFFFAOYSA-N 0 0 406.467 2.602 50 0 HFAARN O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000006224414 569033547 /nfs/dbraw/zinc/03/35/47/569033547.db2.gz IMCKMPRVNULLCX-UHFFFAOYSA-N 0 0 401.941 2.737 50 0 HFAARN COc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(OC)c1 ZINC000006230151 569033613 /nfs/dbraw/zinc/03/36/13/569033613.db2.gz YVBGZNLZDQAXIH-HNNXBMFYSA-N 0 0 418.471 2.552 50 0 HFAARN CCCNC(=O)Cn1c2ccccc2c2ncn(Cc3ccc(OC)cc3)c(=O)c21 ZINC000035371991 569033784 /nfs/dbraw/zinc/03/37/84/569033784.db2.gz ULLIRSIAUKBGTE-UHFFFAOYSA-N 0 0 404.470 2.934 50 0 HFAARN Cc1cccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)c1 ZINC000035375717 569034046 /nfs/dbraw/zinc/03/40/46/569034046.db2.gz JZDJYCOLAXIHNY-UHFFFAOYSA-N 0 0 421.476 2.656 50 0 HFAARN COc1ccccc1CCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373721 569034248 /nfs/dbraw/zinc/03/42/48/569034248.db2.gz SGISAHAKYKIFTA-UHFFFAOYSA-N 0 0 404.470 2.801 50 0 biogenic HFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)NC1CCCCCCC1 ZINC000035376751 569034385 /nfs/dbraw/zinc/03/43/85/569034385.db2.gz NXBYULITXAIVHV-UHFFFAOYSA-N 0 0 413.518 2.877 50 0 HFAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000035392953 569034659 /nfs/dbraw/zinc/03/46/59/569034659.db2.gz VVOJMLLGPJANPJ-QFIPXVFZSA-N 0 0 406.530 2.918 50 0 HFAARN CCc1ccc(CNC(=O)Cn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)cc1 ZINC000035423813 569036431 /nfs/dbraw/zinc/03/64/31/569036431.db2.gz SIKKNLIZQNNRHI-UHFFFAOYSA-N 0 0 420.469 2.774 50 0 HFAARN Cc1cccc(C)c1NC(=O)Cn1nc2c(N3CCCC3)nc3ccccc3n2c1=O ZINC000035425572 569036526 /nfs/dbraw/zinc/03/65/26/569036526.db2.gz AMFQTVHHTVKTDG-UHFFFAOYSA-N 0 0 416.485 2.900 50 0 HFAARN O=C1NC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)N=C1c1cccc(Cl)c1 ZINC000035432613 569037023 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Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(-n4cccn4)cc3)Cc3ccccc32)cn1 ZINC000575618740 569038028 /nfs/dbraw/zinc/03/80/28/569038028.db2.gz ITEBXJZVIMFUJZ-JOCHJYFZSA-N 0 0 419.510 2.942 50 0 HFAARN CCCCNC(=O)c1c(C)c2c(=O)n(CC(=O)Nc3cccc(C)c3)ncn2c1C ZINC000035461559 569038056 /nfs/dbraw/zinc/03/80/56/569038056.db2.gz OGKQXYHFCZLBCN-UHFFFAOYSA-N 0 0 409.490 2.590 50 0 HFAARN O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1 ZINC000035461298 569038286 /nfs/dbraw/zinc/03/82/86/569038286.db2.gz VKGJTLHRLZGPHV-UHFFFAOYSA-N 0 0 422.514 2.849 50 0 HFAARN Cn1nc(-c2ccc(F)cc2F)cc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575619179 569038590 /nfs/dbraw/zinc/03/85/90/569038590.db2.gz ILBSLNWPYXGULA-UHFFFAOYSA-N 0 0 424.455 2.995 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)NCc3nccnc3-c3cccnc3)CC2=O)cc1C ZINC000575620756 569038829 /nfs/dbraw/zinc/03/88/29/569038829.db2.gz UXJHUGCWOTWNNK-GOSISDBHSA-N 0 0 401.470 2.825 50 0 HFAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(-c4ccnn4C)nc3)CC2=O)cc1C ZINC000575621369 569038966 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569051067 /nfs/dbraw/zinc/05/10/67/569051067.db2.gz KPHKCUKZVVZLLD-IBGZPJMESA-N 0 0 404.470 2.947 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCCC[C@H]1SC[C@@H]3NC(=O)N[C@H]13)CC2 ZINC000524729068 569051535 /nfs/dbraw/zinc/05/15/35/569051535.db2.gz BHVCPZVCYWBAQO-VOGPDBBUSA-N 0 0 419.547 2.533 50 0 biogenic HFAARN O=c1oc2ccccc2c2c1[C@@H](c1cc3cccc4c3n(c1=O)CC4)C1=CNNC1=N2 ZINC000524730744 569051669 /nfs/dbraw/zinc/05/16/69/569051669.db2.gz VXPZKSNTXZHBNN-SFHVURJKSA-N 0 0 408.417 2.831 50 0 biogenic HFAARN COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000026489484 569052054 /nfs/dbraw/zinc/05/20/54/569052054.db2.gz ISCQYPPCSYRZOT-MJXNMMHHSA-N 0 0 412.394 2.559 50 0 biogenic,in-vitro HFAARN CC(=O)N[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCCC1 ZINC000053458720 569053092 /nfs/dbraw/zinc/05/30/92/569053092.db2.gz QENUKLFAOOXLPA-KJCUYJGMSA-N 0 0 415.515 2.534 50 0 HFAARN Cc1csc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)n1 ZINC000244716049 569055146 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/nfs/dbraw/zinc/06/53/40/569065340.db2.gz OZDJDDIMJAYNKD-INIZCTEOSA-N 0 0 423.469 2.815 50 0 HFAARN COc1cccc(CN(C)C(=O)CSc2nnnn2-c2ccc(C)cc2)c1OC ZINC000006560489 569065795 /nfs/dbraw/zinc/06/57/95/569065795.db2.gz HMPDKVFQHDDGSE-UHFFFAOYSA-N 0 0 413.503 2.739 50 0 HFAARN CN(CCOc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006561666 569066114 /nfs/dbraw/zinc/06/61/14/569066114.db2.gz CCIKJIPEFPGYRJ-UHFFFAOYSA-N 0 0 408.545 2.686 50 0 HFAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006566187 569066310 /nfs/dbraw/zinc/06/63/10/569066310.db2.gz BHWRIPJARREYIC-UHFFFAOYSA-N 0 0 404.532 2.862 50 0 HFAARN CCCCC(=O)N1CCCN(c2nc(CN(C)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000035926500 569066398 /nfs/dbraw/zinc/06/63/98/569066398.db2.gz XSEGHDVUQARGSW-UHFFFAOYSA-N 0 0 411.550 2.631 50 0 HFAARN CCc1ccccc1S(=O)(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1 ZINC000064566511 569067073 /nfs/dbraw/zinc/06/70/73/569067073.db2.gz XRJCSEGHPXXKEG-UHFFFAOYSA-N 0 0 413.503 2.657 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C5CC5)no4)nn3C)C2)cc1C ZINC000064566505 569067115 /nfs/dbraw/zinc/06/71/15/569067115.db2.gz GZGHTRWPODCHTH-UHFFFAOYSA-N 0 0 413.503 2.711 50 0 HFAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC3)n1 ZINC000064566261 569067172 /nfs/dbraw/zinc/06/71/72/569067172.db2.gz HUXROONFMWFMQQ-NSHDSACASA-N 0 0 401.854 2.784 50 0 HFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000035947616 569067370 /nfs/dbraw/zinc/06/73/70/569067370.db2.gz DDYOKJVKTPBBLA-HXUWFJFHSA-N 0 0 413.449 2.617 50 0 HFAARN COc1cc(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)cc2c1OCCO2 ZINC000006589625 569068133 /nfs/dbraw/zinc/06/81/33/569068133.db2.gz ROZGTTNMJLIUER-UHFFFAOYSA-N 0 0 401.459 2.564 50 0 HFAARN CC(=O)Nc1ccc2c(COC(=O)Cc3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000006587905 569068158 /nfs/dbraw/zinc/06/81/58/569068158.db2.gz IEKKAPTWGSKEDP-UHFFFAOYSA-N 0 0 409.394 2.809 50 0 HFAARN CC(C)(C)C(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579040 569068292 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CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)N2CCc3ccccc32)c1=O ZINC000064604911 569070907 /nfs/dbraw/zinc/07/09/07/569070907.db2.gz XMMCQNWZZVFYEA-UHFFFAOYSA-N 0 0 402.454 2.766 50 0 HFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(c3cc(Cl)c(OC)cc3OC)=NO2)C1 ZINC000004806480 569071509 /nfs/dbraw/zinc/07/15/09/569071509.db2.gz GVMOJJSNQMXKEJ-KPZWWZAWSA-N 0 0 424.881 2.652 50 0 HFAARN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000004828661 569071511 /nfs/dbraw/zinc/07/15/11/569071511.db2.gz QEHYFNIBTLMWGY-UHFFFAOYSA-N 0 0 420.487 2.569 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)c4nncn4C)csc3C2)nc1 ZINC000426378305 569072496 /nfs/dbraw/zinc/07/24/96/569072496.db2.gz YUQHOUZRQRPILP-AWEZNQCLSA-N 0 0 410.547 2.883 50 0 HFAARN COc1ccnc(N2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3=O)n1 ZINC000426615166 569073575 /nfs/dbraw/zinc/07/35/75/569073575.db2.gz OTMQQSPOYPUFQE-QFIPXVFZSA-N 0 0 412.490 2.522 50 0 HFAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC2)c1 ZINC000035991994 569074693 /nfs/dbraw/zinc/07/46/93/569074693.db2.gz IIPNNYRCYUAFFA-UHFFFAOYSA-N 0 0 412.534 2.576 50 0 HFAARN CCc1nc2c(cnn2-c2ccc(OC)cc2)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000035992311 569074742 /nfs/dbraw/zinc/07/47/42/569074742.db2.gz JRTKMDVGMGXWJU-UHFFFAOYSA-N 0 0 420.517 2.835 50 0 HFAARN CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCO)c12)OC(C)(C)CC3 ZINC000006623912 569075386 /nfs/dbraw/zinc/07/53/86/569075386.db2.gz XJVXFKMKHLZHPG-UHFFFAOYSA-N 0 0 403.475 2.727 50 0 biogenic HFAARN COCCN(C(=O)c1ccc(OC)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036003441 569075598 /nfs/dbraw/zinc/07/55/98/569075598.db2.gz YBGUZWZGFCECDN-OAHLLOKOSA-N 0 0 416.474 2.787 50 0 HFAARN CCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)C(C)C ZINC000036005737 569075957 /nfs/dbraw/zinc/07/59/57/569075957.db2.gz CBVWRWPGVNIFJK-UHFFFAOYSA-N 0 0 417.554 2.512 50 0 HFAARN COCCNC(=O)CCN(CCOC)C(=O)c1cc(-c2c(C)cc(C)cc2C)on1 ZINC000036015684 569076584 /nfs/dbraw/zinc/07/65/84/569076584.db2.gz CFTBSOQQSHGJRP-UHFFFAOYSA-N 0 0 417.506 2.508 50 0 HFAARN Cc1nn(-c2ccccc2C)c2nc(C)nc(N3CCN(C(=O)NC(C)C)CC3)c12 ZINC000036019752 569077990 /nfs/dbraw/zinc/07/79/90/569077990.db2.gz GYPQABHZXQDMGS-UHFFFAOYSA-N 0 0 407.522 2.981 50 0 HFAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(Br)ccc1O ZINC000006643753 569078708 /nfs/dbraw/zinc/07/87/08/569078708.db2.gz SHTIIUSSDJUPLP-GXFFZTMASA-N 0 0 413.268 2.716 50 0 HFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Br)cc1Cl ZINC000006646397 569079250 /nfs/dbraw/zinc/07/92/50/569079250.db2.gz RWWQSPOBXMGUKD-UHFFFAOYSA-N 0 0 400.660 2.906 50 0 HFAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)C(C)C ZINC000036030298 569080580 /nfs/dbraw/zinc/08/05/80/569080580.db2.gz CRLSZAKLPONFIR-UHFFFAOYSA-N 0 0 407.536 2.508 50 0 HFAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000006648737 569081324 /nfs/dbraw/zinc/08/13/24/569081324.db2.gz XOHQJDVWWIKMQL-UHFFFAOYSA-N 0 0 418.457 2.990 50 0 HFAARN Cc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000006652021 569081636 /nfs/dbraw/zinc/08/16/36/569081636.db2.gz DHXQECMBYSJRFM-UHFFFAOYSA-N 0 0 402.516 2.814 50 0 HFAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(-n2cnnn2)c1 ZINC000006653871 569082736 /nfs/dbraw/zinc/08/27/36/569082736.db2.gz ITINCWCZKXGPPK-UHFFFAOYSA-N 0 0 417.498 2.929 50 0 HFAARN COc1ccccc1[C@@H]1CN(C(=O)C(C)C)C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000036055076 569083193 /nfs/dbraw/zinc/08/31/93/569083193.db2.gz BLWLOAFUEBRUHB-OALUTQOASA-N 0 0 424.497 2.938 50 0 HFAARN O=C(Cn1nc2ccc(Sc3ccccc3)nn2c1=O)Nc1ccc(F)c(F)c1 ZINC000064710031 569084766 /nfs/dbraw/zinc/08/47/66/569084766.db2.gz LPXGCDBSWOUQIA-UHFFFAOYSA-N 0 0 413.409 2.959 50 0 HFAARN COc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N(C)C(C)C)c1 ZINC000036060919 569085342 /nfs/dbraw/zinc/08/53/42/569085342.db2.gz QYIFTORHYGRWQW-RTWAWAEBSA-N 0 0 416.543 2.966 50 0 HFAARN CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036067074 569085702 /nfs/dbraw/zinc/08/57/02/569085702.db2.gz PFZCHRIHBDVLAI-NRFANRHFSA-N 0 0 413.518 2.630 50 0 HFAARN COc1cc(C(=O)Nc2ccc(Br)cc2)c(-n2cnnn2)cc1OC ZINC000006667952 569086119 /nfs/dbraw/zinc/08/61/19/569086119.db2.gz JKHFMJFXGYJZNZ-UHFFFAOYSA-N 0 0 404.224 2.694 50 0 HFAARN CCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000036085837 569087745 /nfs/dbraw/zinc/08/77/45/569087745.db2.gz XZXPSDPGPSVNHI-CQSZACIVSA-N 0 0 412.877 2.797 50 0 HFAARN CCCn1c(=O)c(C(=O)N[C@@H](C)c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000036085866 569087753 /nfs/dbraw/zinc/08/77/53/569087753.db2.gz PICKBTBFAGNCQE-AWEZNQCLSA-N 0 0 412.877 2.949 50 0 HFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036086625 569088153 /nfs/dbraw/zinc/08/81/53/569088153.db2.gz UTGQAOXTLMSUOA-KRWDZBQOSA-N 0 0 406.486 2.588 50 0 HFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036086624 569088187 /nfs/dbraw/zinc/08/81/87/569088187.db2.gz UTGQAOXTLMSUOA-QGZVFWFLSA-N 0 0 406.486 2.588 50 0 HFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036087002 569088217 /nfs/dbraw/zinc/08/82/17/569088217.db2.gz SUZNBYVEKQBHKB-QGZVFWFLSA-N 0 0 406.486 2.588 50 0 HFAARN Cc1cccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087101 569088296 /nfs/dbraw/zinc/08/82/96/569088296.db2.gz NMBLKYSDBQFIJQ-UHFFFAOYSA-N 0 0 424.888 2.544 50 0 HFAARN CCN(CC)C(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036088821 569088733 /nfs/dbraw/zinc/08/87/33/569088733.db2.gz JMCHMMCESDXAPZ-UHFFFAOYSA-N 0 0 424.476 2.680 50 0 HFAARN Cc1ccc(N2CCN(C(=O)Cn3cc(-c4nnc(C(C)C)o4)ccc3=O)CC2)cc1 ZINC000064759948 569091051 /nfs/dbraw/zinc/09/10/51/569091051.db2.gz USELQXBAPNCXNQ-UHFFFAOYSA-N 0 0 421.501 2.679 50 0 HFAARN COc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1OC ZINC000064787700 569094345 /nfs/dbraw/zinc/09/43/45/569094345.db2.gz QVAHSOBBPJGVPV-UHFFFAOYSA-N 0 0 401.444 2.563 50 0 HFAARN COCCNC(=O)c1cccc(Nc2cc(C)nc3nc(-c4cccnc4)nn32)c1 ZINC000064791619 569095734 /nfs/dbraw/zinc/09/57/34/569095734.db2.gz IBZKCELHWTWONE-UHFFFAOYSA-N 0 0 403.446 2.615 50 0 HFAARN CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccncc3)[C@@H]4C2=O)cc1 ZINC000006719334 569097746 /nfs/dbraw/zinc/09/77/46/569097746.db2.gz RZWPGDNJMTVSCJ-OOICKAIWSA-N 0 0 403.482 2.808 50 0 HFAARN CC[C@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccco1 ZINC000064817508 569100911 /nfs/dbraw/zinc/10/09/11/569100911.db2.gz OAIBPFQKDMITLP-LBPRGKRZSA-N 0 0 403.508 2.569 50 0 HFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3ccccc3CC)cc2oc1=O ZINC000064818846 569101591 /nfs/dbraw/zinc/10/15/91/569101591.db2.gz SSWSYZCMBRFUSI-UHFFFAOYSA-N 0 0 418.471 2.911 50 0 HFAARN CCOC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158937 569102568 /nfs/dbraw/zinc/10/25/68/569102568.db2.gz ACHOVCXUQLMNMK-INIZCTEOSA-N 0 0 413.543 2.873 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2C[C@H]1C ZINC000036159960 569102712 /nfs/dbraw/zinc/10/27/12/569102712.db2.gz TYOXUVHTQVPWAB-MRXNPFEDSA-N 0 0 405.564 2.623 50 0 HFAARN COCCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 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COc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)c(OC)c1 ZINC000065236652 569202537 /nfs/dbraw/zinc/20/25/37/569202537.db2.gz LPYGKISAGDUGBR-UHFFFAOYSA-N 0 0 406.402 2.895 50 0 HFAARN Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4ccc5c(c4)OCO5)n3)nn2)cc1 ZINC000065236804 569202695 /nfs/dbraw/zinc/20/26/95/569202695.db2.gz ZQNCCMUWKYITOT-UHFFFAOYSA-N 0 0 404.386 2.666 50 0 HFAARN C=C1C(N2CCCN(C(=O)C(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065239493 569203346 /nfs/dbraw/zinc/20/33/46/569203346.db2.gz WKGMDPAVYYIDKP-UHFFFAOYSA-N 0 0 403.548 2.967 50 0 HFAARN O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)NCc1ccccc1Cl ZINC000065240295 569203750 /nfs/dbraw/zinc/20/37/50/569203750.db2.gz UBSVHGHXMHTPEZ-UHFFFAOYSA-N 0 0 407.861 2.891 50 0 HFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2ccccc2)CC1 ZINC000036589823 569204286 /nfs/dbraw/zinc/20/42/86/569204286.db2.gz AOESKLUPLRWUTH-HXUWFJFHSA-N 0 0 406.486 2.511 50 0 HFAARN CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC(C(=O)OCC)CC3)C2)ncn1 ZINC000065245053 569205007 /nfs/dbraw/zinc/20/50/07/569205007.db2.gz GYIKZDIDHVKBGD-KRWDZBQOSA-N 0 0 417.554 2.707 50 0 HFAARN CC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)o2)o1 ZINC000065246298 569205575 /nfs/dbraw/zinc/20/55/75/569205575.db2.gz GVJCWAXKALUXQT-UHFFFAOYSA-N 0 0 402.476 2.964 50 0 HFAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3cccc(Cl)c3)C1)C(=O)N2C ZINC000065249429 569205883 /nfs/dbraw/zinc/20/58/83/569205883.db2.gz KJYCZNLESZIRTL-IBGZPJMESA-N 0 0 406.891 2.657 50 0 biogenic HFAARN Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)N1CCc2ccccc2C1 ZINC000065250345 569206135 /nfs/dbraw/zinc/20/61/35/569206135.db2.gz SHYQEOUOSDLBIN-UHFFFAOYSA-N 0 0 400.442 2.888 50 0 HFAARN Cc1c(C(=O)NC[C@@H]2CCCO2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000065251335 569206647 /nfs/dbraw/zinc/20/66/47/569206647.db2.gz CTWWKVOBPGDPAB-HNNXBMFYSA-N 0 0 410.478 2.832 50 0 HFAARN Cc1nn(C(F)F)cc1S(=O)(=O)NCCn1nc(C(F)F)cc1C(F)F ZINC000036615126 569206961 /nfs/dbraw/zinc/20/69/61/569206961.db2.gz CXHHOEQGVMACAM-UHFFFAOYSA-N 0 0 405.324 2.637 50 0 HFAARN Cc1nc(C(=O)NCc2cccc(Cl)c2)c(C)n1C1CCN(S(C)(=O)=O)CC1 ZINC000065257413 569208671 /nfs/dbraw/zinc/20/86/71/569208671.db2.gz MEYNCYZAZCXOLA-UHFFFAOYSA-N 0 0 424.954 2.680 50 0 HFAARN Cn1cc(-c2nn(S(=O)(=O)c3ccccc3)c(-c3cnn(C)c3)c2Cl)cn1 ZINC000036611548 569208747 /nfs/dbraw/zinc/20/87/47/569208747.db2.gz QLCDHDCISAUEMW-UHFFFAOYSA-N 0 0 402.867 2.575 50 0 HFAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)Cn3ccc(C)n3)c3cnn(C)c3n2)cc1 ZINC000036613481 569209269 /nfs/dbraw/zinc/20/92/69/569209269.db2.gz OKRTWOAIAKESLN-HNNXBMFYSA-N 0 0 404.474 2.967 50 0 HFAARN C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000007046352 569211061 /nfs/dbraw/zinc/21/10/61/569211061.db2.gz VREYNLBZYROFBV-QWHCGFSZSA-N 0 0 421.544 2.655 50 0 HFAARN COCCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524731544 569212314 /nfs/dbraw/zinc/21/23/14/569212314.db2.gz BHNSRQPCURWGPZ-CQSZACIVSA-N 0 0 411.410 2.512 50 0 biogenic HFAARN CSCC[C@@H](C(=O)Nc1ccc2[nH]cnc2c1)n1c(=O)[nH]c2ccccc2c1=O 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ZINC000065301918 569220270 /nfs/dbraw/zinc/22/02/70/569220270.db2.gz PSDXYKFSZLBBRP-UHFFFAOYSA-N 0 0 419.533 2.913 50 0 HFAARN Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)C(=O)c2c[nH]c3ccccc23)c1=O ZINC000036685906 569220313 /nfs/dbraw/zinc/22/03/13/569220313.db2.gz ROIKQXMGZTWTNR-UHFFFAOYSA-N 0 0 420.469 2.704 50 0 HFAARN COc1ccccc1NC(=O)CN1c2ccc(Cl)cc2C(=O)N2CCC[C@H]2C1=O ZINC000065306884 569220739 /nfs/dbraw/zinc/22/07/39/569220739.db2.gz DWMZEYFWIIBAHG-KRWDZBQOSA-N 0 0 413.861 2.939 50 0 HFAARN CCOc1ccccc1CNC(=O)CN1c2c(C)cccc2C(=O)N2CCC[C@@H]2C1=O ZINC000065306917 569220742 /nfs/dbraw/zinc/22/07/42/569220742.db2.gz JHQFMSBECJQFHH-LJQANCHMSA-N 0 0 421.497 2.661 50 0 HFAARN Cc1cccc2c1N(CC(=O)NCc1cc(F)cc(F)c1)C(=O)[C@H]1CCCN1C2=O ZINC000065306904 569220834 /nfs/dbraw/zinc/22/08/34/569220834.db2.gz NJRDDERKYZDQFR-GOSISDBHSA-N 0 0 413.424 2.541 50 0 HFAARN O=C(NCc1ccccc1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311446 569221411 /nfs/dbraw/zinc/22/14/11/569221411.db2.gz FWKXYDCUAPIFBN-UHFFFAOYSA-N 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/nfs/dbraw/zinc/07/75/34/571077534.db2.gz LAGKHAZYDVGZNK-UHFFFAOYSA-N 0 0 406.471 2.568 50 0 HFAARN O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1cc(F)cc(F)c1 ZINC000067336821 571080574 /nfs/dbraw/zinc/08/05/74/571080574.db2.gz KYSZMUWZCRXFBA-UHFFFAOYSA-N 0 0 404.348 2.660 50 0 HFAARN CCc1ccc(NC=C(C(=O)OC)S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000067340404 571080813 /nfs/dbraw/zinc/08/08/13/571080813.db2.gz YYGONUSGNSSMLC-RVDMUPIBSA-N 0 0 409.485 2.997 50 0 HFAARN COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3n[nH]c(SC)n3)ccc2c1 ZINC000008561659 571081909 /nfs/dbraw/zinc/08/19/09/571081909.db2.gz KTAFRTYVMXWKSY-LLVKDONJSA-N 0 0 400.460 2.974 50 0 HFAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000008587397 571083734 /nfs/dbraw/zinc/08/37/34/571083734.db2.gz ACPHKBCVODHFKG-UHFFFAOYSA-N 0 0 402.516 2.553 50 0 biogenic HFAARN COc1ccc(NC(=O)Cn2ccn(-c3ccc(C)c(C)c3)c(=O)c2=O)cc1Cl ZINC000008588290 571084172 /nfs/dbraw/zinc/08/41/72/571084172.db2.gz ZWDHGBBQZLAKGO-UHFFFAOYSA-N 0 0 413.861 2.917 50 0 aggregator HFAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1 ZINC000008587766 571084243 /nfs/dbraw/zinc/08/42/43/571084243.db2.gz YXHAOSVETUQMAI-UHFFFAOYSA-N 0 0 417.512 2.919 50 0 HFAARN Cc1ccccc1CNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038848752 571086699 /nfs/dbraw/zinc/08/66/99/571086699.db2.gz UOBXKEPZQRJSCM-GOSISDBHSA-N 0 0 408.907 2.882 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000008601520 571090328 /nfs/dbraw/zinc/09/03/28/571090328.db2.gz XPLDMFOJXXMELW-UHFFFAOYSA-N 0 0 421.479 2.723 50 0 HFAARN CCOCCc1nn2c(nc(COC(=O)[C@H](CC)c3ccccc3)cc2=O)s1 ZINC000008605456 571091928 /nfs/dbraw/zinc/09/19/28/571091928.db2.gz MBMIQYDADNWRSV-MRXNPFEDSA-N 0 0 401.488 2.967 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4cccnc43)CC2)cc1 ZINC000008608537 571093415 /nfs/dbraw/zinc/09/34/15/571093415.db2.gz CLPUUNXHJQRVFG-UHFFFAOYSA-N 0 0 413.503 2.724 50 0 HFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1Cl ZINC000008673013 571100714 /nfs/dbraw/zinc/10/07/14/571100714.db2.gz XFUCJICKAALERA-MRXNPFEDSA-N 0 0 412.755 2.680 50 0 HFAARN CC1=NN(Cc2ccc(Cl)c(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000008706124 571103603 /nfs/dbraw/zinc/10/36/03/571103603.db2.gz YJTYEGHMBBHUBP-JTQLQIEISA-N 0 0 421.288 2.698 50 0 HFAARN Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nnc2N2CCCCC2)cc1 ZINC000008721507 571107262 /nfs/dbraw/zinc/10/72/62/571107262.db2.gz IRRWHYNWRNNIBP-QGZVFWFLSA-N 0 0 415.563 2.905 50 0 HFAARN CCCN(C(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000008725529 571108195 /nfs/dbraw/zinc/10/81/95/571108195.db2.gz IXLWTIJGGZPGNZ-KRWDZBQOSA-N 0 0 421.588 2.827 50 0 HFAARN O=C(NCCc1cccc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008748355 571111582 /nfs/dbraw/zinc/11/15/82/571111582.db2.gz LHZNMVKZQZQWLH-GOSISDBHSA-N 0 0 410.898 2.991 50 0 HFAARN Cc1sc2nc(CN3CCC(C)CC3)n(CC(=O)N3CCCC3)c(=O)c2c1C ZINC000008751268 571112109 /nfs/dbraw/zinc/11/21/09/571112109.db2.gz SHRNIGIMYORKQL-UHFFFAOYSA-N 0 0 402.564 2.929 50 0 HFAARN COc1cc(Br)c(CN2C(=O)c3ccccc3S2(=O)=O)cc1OC ZINC000008750674 571112200 /nfs/dbraw/zinc/11/22/00/571112200.db2.gz CNEQCTTZIGWILQ-UHFFFAOYSA-N 0 0 412.261 2.811 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000008755509 571113311 /nfs/dbraw/zinc/11/33/11/571113311.db2.gz ORFDORALXRUXPA-NPMXOYFQSA-N 0 0 423.517 2.606 50 0 HFAARN COc1ccc2[nH]c(SCC(=O)NCC(=O)Nc3cc(C)ccc3OC)nc2c1 ZINC000008760020 571114035 /nfs/dbraw/zinc/11/40/35/571114035.db2.gz SFMMRIDMIMVNNE-UHFFFAOYSA-N 0 0 414.487 2.736 50 0 HFAARN CCCn1nc(C)c2c1nc(-c1cnn(C)c1C)cc2C(=O)NCc1cnn(C)c1 ZINC000008782525 571119591 /nfs/dbraw/zinc/11/95/91/571119591.db2.gz BJJSMYOFJAAMAI-UHFFFAOYSA-N 0 0 406.494 2.522 50 0 HFAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCCCn1ccnc1 ZINC000008791952 571120119 /nfs/dbraw/zinc/12/01/19/571120119.db2.gz UPROLYVYFNZSOR-UHFFFAOYSA-N 0 0 419.437 2.947 50 0 biogenic HFAARN COc1ccc(CNC(=O)NC[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)cc1OC ZINC000008839368 571123446 /nfs/dbraw/zinc/12/34/46/571123446.db2.gz DLYLHGOCWFFGPH-MRXNPFEDSA-N 0 0 403.410 2.668 50 0 HFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1 ZINC000008877372 571130808 /nfs/dbraw/zinc/13/08/08/571130808.db2.gz RBYKOHIKQUUDDV-UHFFFAOYSA-N 0 0 417.874 2.652 50 0 HFAARN Cc1cc(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)c(C)c(C)c1C ZINC000039525611 571132861 /nfs/dbraw/zinc/13/28/61/571132861.db2.gz TVKSOKNJKMHGDW-OAHLLOKOSA-N 0 0 407.561 2.926 50 0 HFAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000039576271 571133511 /nfs/dbraw/zinc/13/35/11/571133511.db2.gz FLOVJAWIGUUFGV-ZIAGYGMSSA-N 0 0 407.463 2.960 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C ZINC000039655343 571134030 /nfs/dbraw/zinc/13/40/30/571134030.db2.gz BCMFIZVNEJGBFJ-FQEVSTJZSA-N 0 0 424.453 2.881 50 0 HFAARN Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCCOc1cccc(Cl)c1 ZINC000039996325 571137237 /nfs/dbraw/zinc/13/72/37/571137237.db2.gz INPBZYBNXCQXGK-GFCCVEGCSA-N 0 0 401.941 2.617 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000039998418 571137384 /nfs/dbraw/zinc/13/73/84/571137384.db2.gz BLQNMUAGYCMOSB-UHFFFAOYSA-N 0 0 419.453 2.901 50 0 HFAARN O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000040024985 571139928 /nfs/dbraw/zinc/13/99/28/571139928.db2.gz OCJNJDGFEODZBS-UHFFFAOYSA-N 0 0 415.497 2.858 50 0 HFAARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccc(Br)o1 ZINC000008881927 571140186 /nfs/dbraw/zinc/14/01/86/571140186.db2.gz HABVRNAXXXTMIP-UHFFFAOYSA-N 0 0 422.260 2.909 50 0 HFAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000008890510 571142010 /nfs/dbraw/zinc/14/20/10/571142010.db2.gz XDQGWPAQCLLJTI-NRFANRHFSA-N 0 0 415.852 2.831 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCO4)c2)C[C@@H](C)O1 ZINC000040068287 571148934 /nfs/dbraw/zinc/14/89/34/571148934.db2.gz WNOLGMCNSIYRRH-HUUCEWRRSA-N 0 0 416.499 2.672 50 0 HFAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000040080663 571155774 /nfs/dbraw/zinc/15/57/74/571155774.db2.gz NNCLXBTXCXTOIS-FQEVSTJZSA-N 0 0 418.453 2.641 50 0 HFAARN C[C@@]1(c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)NC(=O)NC1=O ZINC000040081891 571156222 /nfs/dbraw/zinc/15/62/22/571156222.db2.gz PUPIBMLVYGPDBU-INIZCTEOSA-N 0 0 414.270 2.849 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2csc(Cc3ccccn3)n2)c1 ZINC000040089885 571159713 /nfs/dbraw/zinc/15/97/13/571159713.db2.gz GPASNKFQADLUQO-UHFFFAOYSA-N 0 0 416.528 2.560 50 0 HFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(CNC(C)=O)cc3)c2)n1 ZINC000040093518 571161776 /nfs/dbraw/zinc/16/17/76/571161776.db2.gz QCRZISOAXDQPHE-UHFFFAOYSA-N 0 0 406.442 2.937 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)s1 ZINC000008935788 571163608 /nfs/dbraw/zinc/16/36/08/571163608.db2.gz DYCGIIBGASBTTM-UHFFFAOYSA-N 0 0 408.332 2.981 50 0 HFAARN Cn1c(NCCc2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C ZINC000008934453 571163684 /nfs/dbraw/zinc/16/36/84/571163684.db2.gz BCZJPZNLRWQVKL-UHFFFAOYSA-N 0 0 423.904 2.790 50 0 HFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc2c(c1)OCO2 ZINC000008940413 571166656 /nfs/dbraw/zinc/16/66/56/571166656.db2.gz NGXLIXXBZJQMPY-UHFFFAOYSA-N 0 0 414.491 2.529 50 0 HFAARN CN(CCCNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)CC(F)(F)F ZINC000040109009 571168294 /nfs/dbraw/zinc/16/82/94/571168294.db2.gz XMCLKKBAKSOAQQ-UHFFFAOYSA-N 0 0 418.419 3.000 50 0 HFAARN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC[C@@H]1c1ccsc1 ZINC000040110469 571168739 /nfs/dbraw/zinc/16/87/39/571168739.db2.gz FSIVFSWCCXZNDG-GOSISDBHSA-N 0 0 405.545 2.908 50 0 HFAARN C[C@@]1(c2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)NC(=O)NC1=O ZINC000040111245 571169509 /nfs/dbraw/zinc/16/95/09/571169509.db2.gz RLUNOOYRUMDGAU-AVRDEDQJSA-N 0 0 409.442 2.551 50 0 HFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040115558 571173356 /nfs/dbraw/zinc/17/33/56/571173356.db2.gz NMBZJTUCMYZPGD-MRXNPFEDSA-N 0 0 415.519 2.838 50 0 HFAARN CN(Cc1cccc(F)c1)C(=O)CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120344 571176349 /nfs/dbraw/zinc/17/63/49/571176349.db2.gz IAXCOZDJBGZLJL-JOCHJYFZSA-N 0 0 409.505 2.833 50 0 HFAARN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)NCc2ccc(-n3cccn3)nc2)C1 ZINC000040120927 571176951 /nfs/dbraw/zinc/17/69/51/571176951.db2.gz QWYMFDJFSVXECF-LJQANCHMSA-N 0 0 421.476 2.504 50 0 HFAARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 ZINC000040121289 571177243 /nfs/dbraw/zinc/17/72/43/571177243.db2.gz WDPVAEPTFIZJRW-CQSZACIVSA-N 0 0 418.519 2.542 50 0 HFAARN C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000040121887 571177833 /nfs/dbraw/zinc/17/78/33/571177833.db2.gz WVRFHXYIHOBUNT-GFCCVEGCSA-N 0 0 420.878 2.763 50 0 HFAARN O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000040128316 571179643 /nfs/dbraw/zinc/17/96/43/571179643.db2.gz MKLNMLSZSOBOLV-UHFFFAOYSA-N 0 0 410.499 2.838 50 0 HFAARN Cc1cc(C)n2nc(CC(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)nc2n1 ZINC000040130782 571182623 /nfs/dbraw/zinc/18/26/23/571182623.db2.gz DQEUOVDSWLCRSY-UHFFFAOYSA-N 0 0 407.474 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biogenic HFAARN CCOCCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000032925861 521704669 /nfs/dbraw/zinc/70/46/69/521704669.db2.gz SHFFDCYOFVPZBD-UHFFFAOYSA-N 0 0 410.458 2.804 50 0 HFAARN COc1c(-n2nc3ccccc3n2)cc(C)cc1S(=O)(=O)NCc1ccccn1 ZINC000045222087 521773693 /nfs/dbraw/zinc/77/36/93/521773693.db2.gz WJONVVZLXRQDNQ-UHFFFAOYSA-N 0 0 409.471 2.611 50 0 HFAARN CNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(N3CCCCC3)cc2)cc1 ZINC000032932866 521857900 /nfs/dbraw/zinc/85/79/00/521857900.db2.gz OCVDXMJTPVHNDJ-UHFFFAOYSA-N 0 0 401.532 2.558 50 0 HFAARN COc1cc(C(=O)N2NC3=C(CCCC3)[C@]2(O)C(F)(F)F)cc(OC)c1OC ZINC000032117707 522097834 /nfs/dbraw/zinc/09/78/34/522097834.db2.gz ZAGYMEMGJYEJHW-DIFFPNOSSA-N 0 0 402.369 2.965 50 0 biogenic,in-vitro HFAARN COc1cc(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)ccc1OCc1ccccc1 ZINC000032808812 522413318 /nfs/dbraw/zinc/41/33/18/522413318.db2.gz DXNOOTBMRQZDPC-SFHVURJKSA-N 0 0 401.484 2.839 50 0 HFAARN COc1cc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc(OC)c1OC ZINC000044917828 522678123 /nfs/dbraw/zinc/67/81/23/522678123.db2.gz KVPLDRMMUHMBMT-UHFFFAOYSA-N 0 0 413.405 2.714 50 0 HFAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F ZINC000040286846 522986833 /nfs/dbraw/zinc/98/68/33/522986833.db2.gz QYRRFAOANLFIDW-HXUWFJFHSA-N 0 0 418.469 2.948 50 0 HFAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 ZINC000040312909 522990810 /nfs/dbraw/zinc/99/08/10/522990810.db2.gz HFBJAIZEWSLBMW-HXUWFJFHSA-N 0 0 414.462 2.529 50 0 biogenic HFAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCN2CCOCC2)cc1OC ZINC000020546615 523079853 /nfs/dbraw/zinc/07/98/53/523079853.db2.gz RITGMCAEZVMEQO-UHFFFAOYSA-N 0 0 411.506 2.774 50 0 HFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032843304 523085169 /nfs/dbraw/zinc/08/51/69/523085169.db2.gz ABCJSBLNJNTBBM-PKOBYXMFSA-N 0 0 412.461 2.976 50 0 HFAARN COc1ccc(-c2cc3ncn(C[C@H](O)COC[C@H]4CCCO4)c(=O)c3s2)cc1 ZINC000032900897 523124804 /nfs/dbraw/zinc/12/48/04/523124804.db2.gz MEKPVSPFGRCYFG-DOTOQJQBSA-N 0 0 416.499 2.690 50 0 HFAARN COc1ccc(-c2csc3nc(SCC(=O)N4CCOCC4)nc(N)c23)cc1 ZINC000032095661 523172914 /nfs/dbraw/zinc/17/29/14/523172914.db2.gz QVUASGKFFWSWEW-UHFFFAOYSA-N 0 0 416.528 2.900 50 0 HFAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(Cc2ccc(F)cc2Cl)c1=O ZINC000032776990 523267636 /nfs/dbraw/zinc/26/76/36/523267636.db2.gz OODLVYQXDJCOMC-UHFFFAOYSA-N 0 0 411.886 2.914 50 0 HFAARN COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)cc1 ZINC000032821106 523278075 /nfs/dbraw/zinc/27/80/75/523278075.db2.gz TYUUGWHNKMUIGE-LJQANCHMSA-N 0 0 416.499 2.569 50 0 HFAARN COCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCO4)cc2C1=O ZINC000032889195 523294687 /nfs/dbraw/zinc/29/46/87/523294687.db2.gz MZDGWEPRJBCGSY-ZDUSSCGKSA-N 0 0 410.426 2.539 50 0 HFAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000032914494 523653693 /nfs/dbraw/zinc/65/36/93/523653693.db2.gz FJEFTCDZTHAFDY-HXUWFJFHSA-N 0 0 424.888 2.955 50 0 HFAARN COc1ccc(C(=O)NCC(=O)NCc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000032927988 523690459 /nfs/dbraw/zinc/69/04/59/523690459.db2.gz ZJVJXYFKDOCKNB-UHFFFAOYSA-N 0 0 409.442 2.713 50 0 HFAARN CCn1ncc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000020045086 523692161 /nfs/dbraw/zinc/69/21/61/523692161.db2.gz DXKYAKTVFVLLFA-UHFFFAOYSA-N 0 0 416.469 2.737 50 0 HFAARN CN(C)C(=O)[C@@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)c2ccccc2O1 ZINC000032810590 524013820 /nfs/dbraw/zinc/01/38/20/524013820.db2.gz DWFSQROCWVPDOG-SFHVURJKSA-N 0 0 424.432 2.691 50 0 HFAARN COc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1OC ZINC000019787547 524030921 /nfs/dbraw/zinc/03/09/21/524030921.db2.gz QBAIIGMSEXQZOX-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2cc(Cl)ccn2)cc1 ZINC000024762105 524063934 /nfs/dbraw/zinc/06/39/34/524063934.db2.gz QRZMCBVHOQMVNU-INIZCTEOSA-N 0 0 407.923 2.912 50 0 HFAARN Cc1cccc(-c2nn3c(nc(CNC(=O)COc4ccccc4)cc3=O)s2)c1 ZINC000041078163 524122037 /nfs/dbraw/zinc/12/20/37/524122037.db2.gz ODRQBMXWTOYIBR-UHFFFAOYSA-N 0 0 406.467 2.822 50 0 HFAARN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000032797338 524150684 /nfs/dbraw/zinc/15/06/84/524150684.db2.gz FISUSABAUXJOTN-HXUWFJFHSA-N 0 0 400.567 2.651 50 0 HFAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1 ZINC000031812143 524187465 /nfs/dbraw/zinc/18/74/65/524187465.db2.gz CLDZJTDDIPUOJA-MRXNPFEDSA-N 0 0 407.459 2.630 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCS(=O)(=O)c1ccccc1 ZINC000032966606 524222424 /nfs/dbraw/zinc/22/24/24/524222424.db2.gz OXJAEXSCNMCTGE-UHFFFAOYSA-N 0 0 424.906 2.610 50 0 HFAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c(C)c1 ZINC000032946779 524291105 /nfs/dbraw/zinc/29/11/05/524291105.db2.gz XQYKXTWCLPCKLI-UHFFFAOYSA-N 0 0 418.544 2.877 50 0 HFAARN Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000042181381 524311526 /nfs/dbraw/zinc/31/15/26/524311526.db2.gz WWEPYBDONFIAGJ-OAQYLSRUSA-N 0 0 416.499 2.553 50 0 HFAARN C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2=O)[C@H]1C ZINC000241515676 524391380 /nfs/dbraw/zinc/39/13/80/524391380.db2.gz OGYWDXFIMKJTGX-DRMAHVMPSA-N 0 0 421.563 2.549 50 0 HFAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc3nnc(C(C)C)n3n2)C1 ZINC000032089485 524476978 /nfs/dbraw/zinc/47/69/78/524476978.db2.gz KJXQSADKSYIWGB-KRWDZBQOSA-N 0 0 408.506 2.789 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1Cl ZINC000045970489 524532995 /nfs/dbraw/zinc/53/29/95/524532995.db2.gz AWZQTODRZKPSSS-UHFFFAOYSA-N 0 0 419.894 2.754 50 0 HFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c(OC)c1 ZINC000020556691 524542249 /nfs/dbraw/zinc/54/22/49/524542249.db2.gz BGHGWRYFYMMVAO-UHFFFAOYSA-N 0 0 422.485 2.955 50 0 HFAARN COc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000041251810 524544792 /nfs/dbraw/zinc/54/47/92/524544792.db2.gz ORTRMYLDRACOJG-UHFFFAOYSA-N 0 0 418.497 2.658 50 0 HFAARN Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c1 ZINC000012615664 524549730 /nfs/dbraw/zinc/54/97/30/524549730.db2.gz SAGVOLUKHPYDJN-UHFFFAOYSA-N 0 0 421.950 2.861 50 0 HFAARN COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)CC1=O ZINC000024753168 524581918 /nfs/dbraw/zinc/58/19/18/524581918.db2.gz AWZZZOIMKWAENM-SJLPKXTDSA-N 0 0 410.470 2.638 50 0 HFAARN Cc1cccc(OC[C@@H](O)Cn2c3ccccc3nc2C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000032907343 524759602 /nfs/dbraw/zinc/75/96/02/524759602.db2.gz HLKQGWXQYXBHCN-ROUUACIJSA-N 0 0 414.527 2.762 50 0 HFAARN COc1ccc(OC)c(N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)c1 ZINC000032794912 524844684 /nfs/dbraw/zinc/84/46/84/524844684.db2.gz IKWKQRALDVXJHS-INIZCTEOSA-N 0 0 407.470 2.897 50 0 HFAARN C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000032902034 524892043 /nfs/dbraw/zinc/89/20/43/524892043.db2.gz AXQLZGSGKPLNPQ-CMHHUMAZSA-N 0 0 421.494 2.529 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC000040052683 524981539 /nfs/dbraw/zinc/98/15/39/524981539.db2.gz FBFGCGOGOGPQFC-FUHWJXTLSA-N 0 0 414.527 2.971 50 0 HFAARN COc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1Cl ZINC000077099736 525056363 /nfs/dbraw/zinc/05/63/63/525056363.db2.gz NIHNTHIIIZFNEG-UHFFFAOYSA-N 0 0 412.895 2.772 50 0 HFAARN COc1ccc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)cc1OC ZINC000019942376 525060139 /nfs/dbraw/zinc/06/01/39/525060139.db2.gz QCGXXZGLTRNTDN-UHFFFAOYSA-N 0 0 405.501 2.743 50 0 HFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)c(Cl)c1 ZINC000040477200 525106074 /nfs/dbraw/zinc/10/60/74/525106074.db2.gz ACTVVRRIWQCZLU-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN Cc1cc(NC(=O)CN2CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)no1 ZINC000045901943 525140450 /nfs/dbraw/zinc/14/04/50/525140450.db2.gz BPSXDYSRTJUUIK-UHFFFAOYSA-N 0 0 414.481 2.717 50 0 HFAARN COc1ccc([C@@H](NC(=O)CN2CCN(Cc3cc(C)on3)CC2)C(C)C)cc1 ZINC000032857879 525194995 /nfs/dbraw/zinc/19/49/95/525194995.db2.gz IURISRKXNSVNGW-QFIPXVFZSA-N 0 0 400.523 2.623 50 0 HFAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000041618408 525202059 /nfs/dbraw/zinc/20/20/59/525202059.db2.gz GEFTVBBUADKGIX-QGZVFWFLSA-N 0 0 402.516 2.667 50 0 HFAARN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000032906716 525265150 /nfs/dbraw/zinc/26/51/50/525265150.db2.gz JYRVGHIYFNRJFD-UHFFFAOYSA-N 0 0 409.485 2.932 50 0 HFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)NCc2ccc(Cl)cc2)c1C ZINC000032764793 525391388 /nfs/dbraw/zinc/39/13/88/525391388.db2.gz MTQWRNHMKQCRLM-UHFFFAOYSA-N 0 0 409.939 2.935 50 0 HFAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)COc2c(C)cccc2C)C1=O ZINC000024865627 525524685 /nfs/dbraw/zinc/52/46/85/525524685.db2.gz KHQKUUSTBGSLEY-KOSHJBKYSA-N 0 0 424.497 2.835 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2cccc(N[C@H](C)C(=O)N3CCOCC3)c2)cc1C ZINC000032738531 525615140 /nfs/dbraw/zinc/61/51/40/525615140.db2.gz NKWQXPZIEXBSTK-QGZVFWFLSA-N 0 0 417.531 2.763 50 0 HFAARN Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)N[C@@]4(CCSC4)C3=O)cc2)cc1 ZINC000032319703 525632124 /nfs/dbraw/zinc/63/21/24/525632124.db2.gz XMDSVKHXLNNGTB-HXUWFJFHSA-N 0 0 416.524 2.755 50 0 HFAARN COc1ccc2cnn(CC(=O)Nc3ccccc3Br)c(=O)c2c1OC ZINC000032103620 525656064 /nfs/dbraw/zinc/65/60/64/525656064.db2.gz XPIZMVIXKLZQSL-UHFFFAOYSA-N 0 0 418.247 2.815 50 0 HFAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c(C)c1C ZINC000024750129 525674747 /nfs/dbraw/zinc/67/47/47/525674747.db2.gz QTXBADWOMYIVTB-UHFFFAOYSA-N 0 0 421.607 2.548 50 0 HFAARN Cc1ccc(-c2noc(COC(=O)CCc3ccc(S(N)(=O)=O)cc3)n2)cc1F ZINC000032898852 525879862 /nfs/dbraw/zinc/87/98/62/525879862.db2.gz DHISDRKMLCYVMK-UHFFFAOYSA-N 0 0 419.434 2.508 50 0 HFAARN Cc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccc(F)cc4)c3=O)n2)cc1 ZINC000045971100 525881780 /nfs/dbraw/zinc/88/17/80/525881780.db2.gz UCHNDEIQTXTSQA-UHFFFAOYSA-N 0 0 403.377 2.523 50 0 HFAARN C[C@@H](OC(=O)c1ccc(CSc2nccn2C)o1)C(=O)NCCc1ccncc1 ZINC000225857905 525895010 /nfs/dbraw/zinc/89/50/10/525895010.db2.gz SUVAFYHYPSJUJD-CQSZACIVSA-N 0 0 414.487 2.605 50 0 HFAARN Cc1ccc(-n2nnnc2SCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000032871024 525939938 /nfs/dbraw/zinc/93/99/38/525939938.db2.gz GBWVXXGFNIRQJW-UHFFFAOYSA-N 0 0 422.514 2.984 50 0 HFAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCN1CCOCC1 ZINC000020548064 525940687 /nfs/dbraw/zinc/94/06/87/525940687.db2.gz RUNJEDIDWGMGLU-KRWDZBQOSA-N 0 0 422.481 2.676 50 0 biogenic HFAARN COc1cccc(CNC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000032910441 525974133 /nfs/dbraw/zinc/97/41/33/525974133.db2.gz NXMJVVAJBMQQRZ-UHFFFAOYSA-N 0 0 421.482 2.526 50 0 HFAARN C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)n1cnc2ccccc21 ZINC000031816933 525983027 /nfs/dbraw/zinc/98/30/27/525983027.db2.gz KMODNCUWDQAUBK-QGZVFWFLSA-N 0 0 406.486 2.713 50 0 HFAARN COc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)c1 ZINC000032060822 526002002 /nfs/dbraw/zinc/00/20/02/526002002.db2.gz XCGRWGHZPRXRSN-UHFFFAOYSA-N 0 0 424.501 2.803 50 0 HFAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccn3)CC2)c(CC2CCCC2)n1C ZINC000020109472 526126580 /nfs/dbraw/zinc/12/65/80/526126580.db2.gz NMSHXQLCBUVMQY-UHFFFAOYSA-N 0 0 408.546 2.779 50 0 HFAARN COc1cccc(NC(=O)CN(C)C(=O)CSCC(=O)Nc2ccc(C)cc2)c1 ZINC000032966453 526170691 /nfs/dbraw/zinc/17/06/91/526170691.db2.gz IJLPQWGHLFTQCJ-UHFFFAOYSA-N 0 0 415.515 2.772 50 0 HFAARN CSc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000021910921 526226154 /nfs/dbraw/zinc/22/61/54/526226154.db2.gz UPDZJXRQACEUMK-UHFFFAOYSA-N 0 0 416.528 2.967 50 0 HFAARN Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)[nH]n1 ZINC000020537468 526246465 /nfs/dbraw/zinc/24/64/65/526246465.db2.gz KBDXJIPKGQHJAS-NRFANRHFSA-N 0 0 423.561 2.695 50 0 HFAARN Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)no1 ZINC000019835561 526246487 /nfs/dbraw/zinc/24/64/87/526246487.db2.gz XLNKXSBRSHVCPH-NRFANRHFSA-N 0 0 424.545 2.960 50 0 HFAARN O=C(NCCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000032843793 526402208 /nfs/dbraw/zinc/40/22/08/526402208.db2.gz UCPOADNRJRNPAM-UHFFFAOYSA-N 0 0 413.440 2.528 50 0 HFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1)N1CCOCC1 ZINC000032759501 526469914 /nfs/dbraw/zinc/46/99/14/526469914.db2.gz MAXWCSWZCQVDOK-LJQANCHMSA-N 0 0 414.527 2.613 50 0 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CC(C)(C)CNC(=O)c1[nH]cnc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000033003864 558827054 /nfs/dbraw/zinc/82/70/54/558827054.db2.gz POUDADBAYALXEM-UHFFFAOYSA-N 0 0 418.925 2.963 50 0 HFAARN COCCn1c2ncccc2nc1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000065285271 558827173 /nfs/dbraw/zinc/82/71/73/558827173.db2.gz KMLDVSWITZMQOU-CQSZACIVSA-N 0 0 420.922 2.909 50 0 HFAARN CCOc1cc(CNC(=O)CSc2nc3ccccc3n(C)c2=O)ccc1OC ZINC000033006646 558827715 /nfs/dbraw/zinc/82/77/15/558827715.db2.gz QJQSYGMINYNEHT-UHFFFAOYSA-N 0 0 413.499 2.749 50 0 HFAARN COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)c(OC)c1OC ZINC000033010891 558830256 /nfs/dbraw/zinc/83/02/56/558830256.db2.gz SIADSGIBNRCUSS-UHFFFAOYSA-N 0 0 421.519 2.528 50 0 HFAARN C[C@@H](NC(=O)CCn1c(=O)[nH]c2ccsc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004597411 558832942 /nfs/dbraw/zinc/83/29/42/558832942.db2.gz SREJACJUJGRAEW-CSNVJCEJSA-N 0 0 401.532 2.863 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NC4CCCCC4)ccn3n2)cc1OC ZINC000046005130 558838663 /nfs/dbraw/zinc/83/86/63/558838663.db2.gz QKVGCDOXWWXXOO-UHFFFAOYSA-N 0 0 410.474 2.629 50 0 HFAARN CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3[C@H](C)CC)CC1 ZINC000033023246 558839472 /nfs/dbraw/zinc/83/94/72/558839472.db2.gz HTQHWCDAFQOFCH-OAHLLOKOSA-N 0 0 421.567 2.719 50 0 HFAARN O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCCN(c2ncccn2)CC1 ZINC000019111813 558841726 /nfs/dbraw/zinc/84/17/26/558841726.db2.gz CQCXGZFISCOBLV-UHFFFAOYSA-N 0 0 415.400 2.674 50 0 HFAARN Cc1cccn2c(CN3CCC[C@H](O)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019113058 558841843 /nfs/dbraw/zinc/84/18/43/558841843.db2.gz IKLFADLXHJFBAE-FQEVSTJZSA-N 0 0 406.530 2.914 50 0 HFAARN O=C(c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000013583904 558845393 /nfs/dbraw/zinc/84/53/93/558845393.db2.gz KYCKHDVGQIJPNF-UHFFFAOYSA-N 0 0 420.918 2.954 50 0 HFAARN COCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583808 558845395 /nfs/dbraw/zinc/84/53/95/558845395.db2.gz FBBGNEMUXQTQGY-UHFFFAOYSA-N 0 0 408.907 2.858 50 0 HFAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)C2CC2)n3C)c1 ZINC000033026057 558847138 /nfs/dbraw/zinc/84/71/38/558847138.db2.gz LDJDGEREAAKJBK-UHFFFAOYSA-N 0 0 406.486 2.968 50 0 HFAARN O=C(c1cn(Cc2ccccc2F)nn1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019217591 558850832 /nfs/dbraw/zinc/85/08/32/558850832.db2.gz CQKNPSKGWLZWBA-RMKNXTFCSA-N 0 0 405.477 2.937 50 0 HFAARN CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C1CC1 ZINC000036069681 558854670 /nfs/dbraw/zinc/85/46/70/558854670.db2.gz LNZUUFKUMLCDEU-UHFFFAOYSA-N 0 0 407.518 2.502 50 0 HFAARN C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CN(C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034053 558857895 /nfs/dbraw/zinc/85/78/95/558857895.db2.gz MUNVOJGGQFOYCK-WMLDXEAASA-N 0 0 407.898 2.978 50 0 HFAARN COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 ZINC000053122805 558862641 /nfs/dbraw/zinc/86/26/41/558862641.db2.gz JFNKXGOEOQCXDM-UHFFFAOYSA-N 0 0 407.514 2.777 50 0 in-vivo HFAARN COc1cccc(CNC(=O)COC(=O)c2ccccc2Br)c1OC ZINC000072330009 558865115 /nfs/dbraw/zinc/86/51/15/558865115.db2.gz ZJXATILDPVUPPE-UHFFFAOYSA-N 0 0 408.248 2.940 50 0 HFAARN COc1ccc(/C=C/C(=O)OCC(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000072330817 558865769 /nfs/dbraw/zinc/86/57/69/558865769.db2.gz VBNQCVCTCYLDDI-PKNBQFBNSA-N 0 0 415.442 2.594 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N(C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000019296503 558865970 /nfs/dbraw/zinc/86/59/70/558865970.db2.gz KQINCPAOMZLOSC-UHFFFAOYSA-N 0 0 417.241 2.518 50 0 HFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000019309287 558866796 /nfs/dbraw/zinc/86/67/96/558866796.db2.gz COWDEYDTQDITNY-GOSISDBHSA-N 0 0 402.466 2.599 50 0 HFAARN COc1ccc(OC)c([C@H]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1 ZINC000033077172 558868449 /nfs/dbraw/zinc/86/84/49/558868449.db2.gz XCCWJJKFZFMQOV-HNNXBMFYSA-N 0 0 414.483 2.724 50 0 HFAARN Cc1nc(-c2ccc(C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)cc2)no1 ZINC000033077118 558868474 /nfs/dbraw/zinc/86/84/74/558868474.db2.gz RZGQLTIBQRYNHS-UHFFFAOYSA-N 0 0 419.485 2.514 50 0 HFAARN CC(C)(C)CN1c2ccccc2NC2(CCN(C(=O)CCCC(N)=O)CC2)C1=O ZINC000055036434 558870067 /nfs/dbraw/zinc/87/00/67/558870067.db2.gz FGJJBOGGSLWPOY-UHFFFAOYSA-N 0 0 400.523 2.508 50 0 HFAARN Cc1noc2nc(C)cc(C(=O)OCC(=O)N[C@H](c3nccn3C)c3ccccc3)c12 ZINC000010652569 558870608 /nfs/dbraw/zinc/87/06/08/558870608.db2.gz NPBUVADNLFHAJO-IBGZPJMESA-N 0 0 419.441 2.636 50 0 HFAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NC(C)C)CC3)c2)no1 ZINC000033086723 558871188 /nfs/dbraw/zinc/87/11/88/558871188.db2.gz XNRUJZDTBAMBSE-UHFFFAOYSA-N 0 0 420.535 2.533 50 0 HFAARN Cc1nc(CC(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000055107953 558872834 /nfs/dbraw/zinc/87/28/34/558872834.db2.gz KKQZQJZLMYLYJK-SFHVURJKSA-N 0 0 402.539 2.946 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1scnc1-c1ccccc1 ZINC000055153288 558874171 /nfs/dbraw/zinc/87/41/71/558874171.db2.gz KWKRWLFWOBVLJN-IBGZPJMESA-N 0 0 420.538 2.817 50 0 HFAARN COc1ccccc1N1CCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)[C@@H](C)C1 ZINC000055165964 558874820 /nfs/dbraw/zinc/87/48/20/558874820.db2.gz NBNYRJYDXPCPJY-KRWDZBQOSA-N 0 0 420.579 2.662 50 0 HFAARN Cc1cccc(CN2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)C(C)C2=O)c1 ZINC000055168717 558874981 /nfs/dbraw/zinc/87/49/81/558874981.db2.gz SZYBPBCJPPBLNY-KRWDZBQOSA-N 0 0 415.493 2.739 50 0 HFAARN COCCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 ZINC000033113372 558875282 /nfs/dbraw/zinc/87/52/82/558875282.db2.gz BUWDAAGOABRLSP-AWEZNQCLSA-N 0 0 403.508 2.634 50 0 HFAARN CC(=O)c1sc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)nc1-c1ccccc1 ZINC000013792400 558876454 /nfs/dbraw/zinc/87/64/54/558876454.db2.gz QTJMDSXNRJWEBN-AWEZNQCLSA-N 0 0 407.517 2.765 50 0 HFAARN COc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000033114785 558876687 /nfs/dbraw/zinc/87/66/87/558876687.db2.gz VUUNCGSKILTZPY-UHFFFAOYSA-N 0 0 420.469 2.900 50 0 HFAARN Cc1nc(CN2CCN(C(=O)CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 ZINC000055227088 558876794 /nfs/dbraw/zinc/87/67/94/558876794.db2.gz XDTOOICZIYIGSI-UHFFFAOYSA-N 0 0 410.902 2.917 50 0 HFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 ZINC000019420704 558885344 /nfs/dbraw/zinc/88/53/44/558885344.db2.gz MEWJGUJOFHSEPF-HNNXBMFYSA-N 0 0 416.551 2.892 50 0 HFAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1ccc(C)cc1 ZINC000019419920 558885364 /nfs/dbraw/zinc/88/53/64/558885364.db2.gz CZJNAZGAFBBIMJ-HSZRJFAPSA-N 0 0 408.454 2.664 50 0 HFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)C2CCCCC2)cc1OC ZINC000004674955 558886555 /nfs/dbraw/zinc/88/65/55/558886555.db2.gz YLJAPXHBKOIVBK-UHFFFAOYSA-N 0 0 412.552 2.799 50 0 HFAARN COc1ccc([C@H](C)NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072333850 558892216 /nfs/dbraw/zinc/89/22/16/558892216.db2.gz BTCFSNMJTKQQRU-ZDUSSCGKSA-N 0 0 403.431 2.755 50 0 HFAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc(CCC(=O)NC2CC2)c1=O ZINC000033141607 558893324 /nfs/dbraw/zinc/89/33/24/558893324.db2.gz YVXSYPIOSRVCJU-UHFFFAOYSA-N 0 0 404.470 2.555 50 0 HFAARN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000004682305 558894217 /nfs/dbraw/zinc/89/42/17/558894217.db2.gz HATBSRKJAQEJBO-UHFFFAOYSA-N 0 0 406.504 2.963 50 0 HFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000033161906 558896056 /nfs/dbraw/zinc/89/60/56/558896056.db2.gz FTHQALUFVKZOIY-ZDUSSCGKSA-N 0 0 408.501 2.574 50 0 HFAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1)NC(=O)Nc1ccccc1 ZINC000071415898 558897716 /nfs/dbraw/zinc/89/77/16/558897716.db2.gz LDGBXDPXDIOFQE-UHFFFAOYSA-N 0 0 419.470 2.710 50 0 HFAARN CSc1nnnn1-c1cccc(NC(=O)N2CCN(Cc3ccsc3)CC2)c1 ZINC000058097384 558898677 /nfs/dbraw/zinc/89/86/77/558898677.db2.gz FQJDJMYRJFJVAI-UHFFFAOYSA-N 0 0 415.548 2.795 50 0 HFAARN COCCCNS(=O)(=O)c1cc(-c2c(C)nn3c2nc(C)cc3C)ccc1OC ZINC000033171451 558900062 /nfs/dbraw/zinc/90/00/62/558900062.db2.gz GCZQBOJNYPDCSF-UHFFFAOYSA-N 0 0 418.519 2.645 50 0 HFAARN CC(C)(C)c1ccc(C[S@@](=O)CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000058155425 558902882 /nfs/dbraw/zinc/90/28/82/558902882.db2.gz WIIXUXBBHOPICG-LJAQVGFWSA-N 0 0 416.543 2.810 50 0 HFAARN COCCOc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)cc1C ZINC000058155102 558902892 /nfs/dbraw/zinc/90/28/92/558902892.db2.gz QQQPFORJSSFLQH-QGZVFWFLSA-N 0 0 406.548 2.996 50 0 HFAARN COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)o2)cc1OC ZINC000033169819 558903036 /nfs/dbraw/zinc/90/30/36/558903036.db2.gz FGBMAVQFJYUSJT-CQSZACIVSA-N 0 0 408.414 2.860 50 0 HFAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCc4cccs4)n3)n2)cc1C ZINC000033170065 558903406 /nfs/dbraw/zinc/90/34/06/558903406.db2.gz XESJSCBWBMQVDN-UHFFFAOYSA-N 0 0 421.482 2.950 50 0 HFAARN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000058158356 558903778 /nfs/dbraw/zinc/90/37/78/558903778.db2.gz JTVRWFKWQPNRRF-WBVHZDCISA-N 0 0 403.498 2.578 50 0 HFAARN O=S1(=O)CC[C@H](N2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C1 ZINC000058160447 558905104 /nfs/dbraw/zinc/90/51/04/558905104.db2.gz ARZQKPPTUMWVIZ-INIZCTEOSA-N 0 0 414.556 2.667 50 0 HFAARN Cn1c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2n(C)c1=O ZINC000004699506 558907436 /nfs/dbraw/zinc/90/74/36/558907436.db2.gz ZERXTGCNYAZZSZ-WOJGMQOQSA-N 0 0 407.451 2.796 50 0 HFAARN O=C(c1ccc[nH]c1=O)N1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 ZINC000058168007 558907510 /nfs/dbraw/zinc/90/75/10/558907510.db2.gz LDZSZHWMWNUHOU-UHFFFAOYSA-N 0 0 418.453 2.551 50 0 HFAARN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000058180680 558910242 /nfs/dbraw/zinc/91/02/42/558910242.db2.gz VMJKLGBPMUSACL-MAUKXSAKSA-N 0 0 407.555 2.929 50 0 HFAARN Cc1cccc(NC(=O)CN(C)c2ncnc3c2c(Br)nn3C)c1C ZINC000058224343 558913197 /nfs/dbraw/zinc/91/31/97/558913197.db2.gz LXKGNKUKBSUFNW-UHFFFAOYSA-N 0 0 403.284 2.818 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000004704328 558913704 /nfs/dbraw/zinc/91/37/04/558913704.db2.gz YBDUXXTYLWNQBU-RXVVDRJESA-N 0 0 410.514 2.805 50 0 HFAARN COc1ccc(CCNC(=O)Cn2c3cc(C)c(C)cc3nc(C)c2=O)cc1OC ZINC000033254756 558918652 /nfs/dbraw/zinc/91/86/52/558918652.db2.gz LGRHXTPRCOCKTR-UHFFFAOYSA-N 0 0 409.486 2.698 50 0 HFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@H]2Cc3ccccc3O2)CC1=O ZINC000058358098 558921643 /nfs/dbraw/zinc/92/16/43/558921643.db2.gz HYUUNZPCIKCKLR-GOEBONIOSA-N 0 0 400.862 2.821 50 0 HFAARN COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2c1 ZINC000004722280 558925732 /nfs/dbraw/zinc/92/57/32/558925732.db2.gz LKVQNYHGCOXVCP-UHFFFAOYSA-N 0 0 413.499 2.824 50 0 HFAARN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000058440078 558927386 /nfs/dbraw/zinc/92/73/86/558927386.db2.gz REDOSFRIIFLIMJ-UHFFFAOYSA-N 0 0 420.365 2.588 50 0 HFAARN CCCNC(=O)[C@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000033259685 558928508 /nfs/dbraw/zinc/92/85/08/558928508.db2.gz OAMMPRGTTOMCSD-IBGZPJMESA-N 0 0 419.529 2.891 50 0 HFAARN COc1ccc(-c2ccc(S(=O)(=O)N3CC(S(=O)(=O)CC(C)C)C3)cc2)cc1 ZINC000096380307 558928621 /nfs/dbraw/zinc/92/86/21/558928621.db2.gz QOEATLJISIGHGZ-UHFFFAOYSA-N 0 0 423.556 2.806 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000072139272 558928867 /nfs/dbraw/zinc/92/88/67/558928867.db2.gz GGEXKHQFTJDSTA-UHFFFAOYSA-N 0 0 413.869 2.678 50 0 HFAARN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccncc4)C3)C2=O)c1OC ZINC000072160973 558930054 /nfs/dbraw/zinc/93/00/54/558930054.db2.gz QXZDFMXDCNPESB-QHCPKHFHSA-N 0 0 409.486 2.754 50 0 HFAARN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccccc2S(=O)(=O)CC)c1 ZINC000059118933 558932094 /nfs/dbraw/zinc/93/20/94/558932094.db2.gz DAKGDAHAKOYTON-HNNXBMFYSA-N 0 0 402.516 2.939 50 0 HFAARN CC1CCN(c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)CC1 ZINC000061717915 558946248 /nfs/dbraw/zinc/94/62/48/558946248.db2.gz NFOAMHXROAPBNL-UHFFFAOYSA-N 0 0 424.530 2.561 50 0 HFAARN COc1ccccc1CCNC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O ZINC000061719320 558946291 /nfs/dbraw/zinc/94/62/91/558946291.db2.gz RVVKWINKSHZRIG-UHFFFAOYSA-N 0 0 409.511 3.000 50 0 HFAARN O=C(Cn1nc(N2CCOCC2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000061720041 558946449 /nfs/dbraw/zinc/94/64/49/558946449.db2.gz ZHQGMZIZMRNRRV-UHFFFAOYSA-N 0 0 406.442 2.511 50 0 HFAARN CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000061720811 558946684 /nfs/dbraw/zinc/94/66/84/558946684.db2.gz YHRWDFYXLDBDDZ-UHFFFAOYSA-N 0 0 420.538 2.981 50 0 HFAARN COC(=O)c1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2cc(C)on2)cc1 ZINC000011204599 558947028 /nfs/dbraw/zinc/94/70/28/558947028.db2.gz SXNTYXJIVVSMCF-INIZCTEOSA-N 0 0 400.460 2.543 50 0 HFAARN CCOc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000097943900 558950811 /nfs/dbraw/zinc/95/08/11/558950811.db2.gz IVXUEBQQOGUHKG-QHCPKHFHSA-N 0 0 407.470 2.812 50 0 HFAARN COc1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000097943988 558950980 /nfs/dbraw/zinc/95/09/80/558950980.db2.gz SLQFOHVQBXREOG-OAQYLSRUSA-N 0 0 422.485 2.848 50 0 HFAARN CCOC(=O)C1CCN(C(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061496 558956225 /nfs/dbraw/zinc/95/62/25/558956225.db2.gz AYAOWZIBLKOZBV-UHFFFAOYSA-N 0 0 416.503 2.525 50 0 HFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000019670417 558956535 /nfs/dbraw/zinc/95/65/35/558956535.db2.gz NKNPIWJGVNIUSN-AWEZNQCLSA-N 0 0 413.349 2.560 50 0 HFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000019670415 558956628 /nfs/dbraw/zinc/95/66/28/558956628.db2.gz NKNPIWJGVNIUSN-CQSZACIVSA-N 0 0 413.349 2.560 50 0 HFAARN CC(C)Cn1c(CN2CCCN(c3ccc(F)cc3)CC2)cnc1S(C)(=O)=O ZINC000064111111 558962216 /nfs/dbraw/zinc/96/22/16/558962216.db2.gz HGCMQGWJTCRITG-UHFFFAOYSA-N 0 0 408.543 2.794 50 0 HFAARN Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)C1CCCCC1)C2 ZINC000064893089 558966597 /nfs/dbraw/zinc/96/65/97/558966597.db2.gz JKZGMTRGCWHZEM-UHFFFAOYSA-N 0 0 424.501 2.544 50 0 HFAARN COc1ccccc1C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1 ZINC000064893021 558966634 /nfs/dbraw/zinc/96/66/34/558966634.db2.gz GEFPXXNFUJIIOP-UHFFFAOYSA-N 0 0 422.460 2.696 50 0 HFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccccc1C)CC(=O)N2 ZINC000065365499 558976429 /nfs/dbraw/zinc/97/64/29/558976429.db2.gz AYHOWVFKWYPATN-QGZVFWFLSA-N 0 0 404.474 2.590 50 0 HFAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 ZINC000065365885 558976682 /nfs/dbraw/zinc/97/66/82/558976682.db2.gz WQPRDKNZUZSCFC-GOSISDBHSA-N 0 0 418.501 2.844 50 0 HFAARN COc1ccccc1-c1noc(CCC(=O)N2CCC(Cc3noc(C)n3)CC2)n1 ZINC000065372279 558976819 /nfs/dbraw/zinc/97/68/19/558976819.db2.gz ZGAXVDAGKAXNJZ-UHFFFAOYSA-N 0 0 411.462 2.851 50 0 HFAARN CC(C)=CCn1c(=O)c2nc(C(=O)N[C@@H](C)CO)cn2cc1-c1cccc(Cl)c1 ZINC000072409480 558977539 /nfs/dbraw/zinc/97/75/39/558977539.db2.gz BRHLOOPOYPGFPG-AWEZNQCLSA-N 0 0 414.893 2.893 50 0 HFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000021940900 558978783 /nfs/dbraw/zinc/97/87/83/558978783.db2.gz KBJYCQHMMRNMKT-UHFFFAOYSA-N 0 0 415.497 2.909 50 0 HFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000072446791 558982353 /nfs/dbraw/zinc/98/23/53/558982353.db2.gz UUBKLOMUZQWKTG-UHFFFAOYSA-N 0 0 421.954 2.631 50 0 HFAARN Cc1[nH][nH]c(=O)c1CC(=O)N1CCC2(CN(C[C@@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000072480728 558984111 /nfs/dbraw/zinc/98/41/11/558984111.db2.gz IFPDYJMQMCJEQS-OAHLLOKOSA-N 0 0 412.490 2.583 50 0 HFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(C)CC3)nn1-c1ccccc1)C2 ZINC000096693163 558984306 /nfs/dbraw/zinc/98/43/06/558984306.db2.gz BMFIQKUZADXDPJ-UHFFFAOYSA-N 0 0 418.497 2.848 50 0 HFAARN Cc1ccc(-n2ccnc2S[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000011211392 558985903 /nfs/dbraw/zinc/98/59/03/558985903.db2.gz HTRDVIHDPAVINA-NVXWUHKLSA-N 0 0 407.561 2.615 50 0 HFAARN C[C@H]1CCCN(C(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)s2)CC1 ZINC000097000782 558987580 /nfs/dbraw/zinc/98/75/80/558987580.db2.gz CUZXKFFITFIFKD-ZDUSSCGKSA-N 0 0 421.544 2.910 50 0 HFAARN Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000067604018 558988160 /nfs/dbraw/zinc/98/81/60/558988160.db2.gz ZCTROZIVHZICFU-UHFFFAOYSA-N 0 0 400.845 2.726 50 0 HFAARN CCN1CCN(C(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000067622707 558990019 /nfs/dbraw/zinc/99/00/19/558990019.db2.gz YYHPOVFUHWPYPL-UHFFFAOYSA-N 0 0 419.522 2.570 50 0 HFAARN COc1ccccc1NC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccccc3)c2nc1C ZINC000067630714 558990453 /nfs/dbraw/zinc/99/04/53/558990453.db2.gz DOAOMBXCULUOFY-UHFFFAOYSA-N 0 0 416.437 2.702 50 0 HFAARN O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000022417923 558990714 /nfs/dbraw/zinc/99/07/14/558990714.db2.gz CBVQWSXGWDYJRX-UHFFFAOYSA-N 0 0 406.360 2.930 50 0 HFAARN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000097087706 558991207 /nfs/dbraw/zinc/99/12/07/558991207.db2.gz YBLJKVZTSSDHPD-UHFFFAOYSA-N 0 0 406.508 2.635 50 0 HFAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3scnc3C)C2)CC1 ZINC000067755612 558992242 /nfs/dbraw/zinc/99/22/42/558992242.db2.gz IBPFHRHXBQTHSN-KRWDZBQOSA-N 0 0 400.548 2.887 50 0 HFAARN CCn1c2ccccc2n(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c1=O ZINC000033268663 558992835 /nfs/dbraw/zinc/99/28/35/558992835.db2.gz JHBJVROERLQAGU-KSKOPSKJSA-N 0 0 409.530 2.904 50 0 HFAARN COc1ccc(-c2cc(CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)on2)cc1 ZINC000023057176 558994841 /nfs/dbraw/zinc/99/48/41/558994841.db2.gz AAEKTKKCHULTMU-UHFFFAOYSA-N 0 0 416.455 2.942 50 0 HFAARN COCCN(c1cccc(Br)n1)S(=O)(=O)c1ccc(F)cc1F ZINC000097109231 558995193 /nfs/dbraw/zinc/99/51/93/558995193.db2.gz LDFMBGLGMSTHSO-UHFFFAOYSA-N 0 0 407.236 2.964 50 0 HFAARN O=S(=O)(c1cccc(Cl)c1F)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000097117329 558996104 /nfs/dbraw/zinc/99/61/04/558996104.db2.gz PMPCRZKFKYGQJA-ZDUSSCGKSA-N 0 0 401.868 2.985 50 0 HFAARN Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)no1 ZINC000077287142 559000398 /nfs/dbraw/zinc/00/03/98/559000398.db2.gz STYPJDDTMOPAOV-JCUDRXCFSA-N 0 0 421.497 2.540 50 0 HFAARN Cc1cnn([C@@H](C)C(=O)N2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)c1 ZINC000077298817 559000687 /nfs/dbraw/zinc/00/06/87/559000687.db2.gz HXXZAXCYCLSOPH-SFHVURJKSA-N 0 0 412.490 2.645 50 0 HFAARN Cc1cnn([C@H](C)C(=O)N2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)c1 ZINC000077298820 559000710 /nfs/dbraw/zinc/00/07/10/559000710.db2.gz HXXZAXCYCLSOPH-GOSISDBHSA-N 0 0 412.490 2.645 50 0 HFAARN COc1ccccc1-n1nc(Cc2ccccc2)n(CC(=O)N[C@H](C)C2CC2)c1=O ZINC000077343895 559002035 /nfs/dbraw/zinc/00/20/35/559002035.db2.gz GIUOGWBLYLPYTQ-MRXNPFEDSA-N 0 0 406.486 2.548 50 0 HFAARN Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)ccn1 ZINC000077424998 559004702 /nfs/dbraw/zinc/00/47/02/559004702.db2.gz MZWVGZIJXAHJIX-OUMCCJGNSA-N 0 0 417.509 2.952 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(=O)c1cc[nH]n1)C2)c1ccccc1 ZINC000077460001 559006226 /nfs/dbraw/zinc/00/62/26/559006226.db2.gz QKQCDMAJUKPGCJ-OAHLLOKOSA-N 0 0 410.499 2.648 50 0 HFAARN Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccsc3)[C@@H]4C2=O)c1 ZINC000077505354 559007606 /nfs/dbraw/zinc/00/76/06/559007606.db2.gz XISILWGKSVRFAE-GJPOJAMWSA-N 0 0 408.523 2.997 50 0 HFAARN Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccsc3)[C@H]4C2=O)c1 ZINC000077505357 559007608 /nfs/dbraw/zinc/00/76/08/559007608.db2.gz XISILWGKSVRFAE-SRYPRDQNSA-N 0 0 408.523 2.997 50 0 HFAARN Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3Cc5ccccc5C3)[C@H]4C2=O)cc1 ZINC000077539540 559008850 /nfs/dbraw/zinc/00/88/50/559008850.db2.gz GUBQXANCJNDGSV-LNEBKTTKSA-N 0 0 414.505 2.862 50 0 HFAARN COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OC ZINC000023106129 559009835 /nfs/dbraw/zinc/00/98/35/559009835.db2.gz VNPWLYUYPBSKCU-GOSISDBHSA-N 0 0 418.465 2.655 50 0 HFAARN Cc1ccc2[nH]c3c(ncn(CCC(=O)N4CCN(c5ccccc5)CC4)c3=O)c2c1 ZINC000023125617 559013676 /nfs/dbraw/zinc/01/36/76/559013676.db2.gz FGJAIIZYFMQTSR-UHFFFAOYSA-N 0 0 415.497 2.925 50 0 HFAARN Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(cc(F)cc3F)s2)on1 ZINC000023128103 559016259 /nfs/dbraw/zinc/01/62/59/559016259.db2.gz LXPXAZCOBGFJDO-UHFFFAOYSA-N 0 0 408.430 2.850 50 0 HFAARN COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc21 ZINC000023128111 559016292 /nfs/dbraw/zinc/01/62/92/559016292.db2.gz OCRWFYDDTXHTTC-UHFFFAOYSA-N 0 0 402.476 2.580 50 0 HFAARN Cc1nc2sc([C@@H](c3ccc(Cl)cc3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000023156940 559021944 /nfs/dbraw/zinc/02/19/44/559021944.db2.gz NUCMDPKOGVLIRF-CQSZACIVSA-N 0 0 405.911 2.745 50 0 HFAARN COc1cc(NC(=O)Cn2nc(C(=O)N3CCCC3)c3ccccc32)cc(OC)c1 ZINC000033275191 559034643 /nfs/dbraw/zinc/03/46/43/559034643.db2.gz SMLFGPDJTVUDPN-UHFFFAOYSA-N 0 0 408.458 2.928 50 0 HFAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C ZINC000004736355 559035621 /nfs/dbraw/zinc/03/56/21/559035621.db2.gz AKADGSFLZCSFDL-UHFFFAOYSA-N 0 0 402.505 2.950 50 0 HFAARN CC(C)NC(=O)c1ccc2c(c1)nc(CN(C)S(=O)(=O)c1ccc(F)cc1)n2C ZINC000033275911 559035838 /nfs/dbraw/zinc/03/58/38/559035838.db2.gz RPEIJVVPJRQMJB-UHFFFAOYSA-N 0 0 418.494 2.671 50 0 HFAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)Nc3cc(C)ccc3C)c2)no1 ZINC000033276153 559035982 /nfs/dbraw/zinc/03/59/82/559035982.db2.gz RVKCTOQBNBKVKL-UHFFFAOYSA-N 0 0 414.487 2.887 50 0 HFAARN COCCNC(=O)c1ccc(-c2nc(CCN(C)C(=O)Nc3ccccc3)no2)cc1 ZINC000033277848 559041251 /nfs/dbraw/zinc/04/12/51/559041251.db2.gz XQWSOLZLMQMTTF-UHFFFAOYSA-N 0 0 423.473 2.819 50 0 HFAARN O=C(c1ccccc1F)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000004740901 559044119 /nfs/dbraw/zinc/04/41/19/559044119.db2.gz STSWKAYNAJDWRE-UHFFFAOYSA-N 0 0 412.852 2.987 50 0 HFAARN CCCn1c(SCC(=O)NC(C)C)nc2c3cc(OC)ccc3n(C)c2c1=O ZINC000033287563 559044194 /nfs/dbraw/zinc/04/41/94/559044194.db2.gz YHAUPXZHBDZHHW-UHFFFAOYSA-N 0 0 402.520 2.924 50 0 HFAARN Cc1nn(C)c2c1ccnc2N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000033299134 559048357 /nfs/dbraw/zinc/04/83/57/559048357.db2.gz OZYYZBJKLHOTFX-UHFFFAOYSA-N 0 0 407.474 2.538 50 0 HFAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000033306577 559051697 /nfs/dbraw/zinc/05/16/97/559051697.db2.gz YTXHIKWYHWSUDI-GQCTYLIASA-N 0 0 411.505 2.584 50 0 HFAARN CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 ZINC000011327928 559053148 /nfs/dbraw/zinc/05/31/48/559053148.db2.gz PXVCDZAPZXMOJQ-QGZVFWFLSA-N 0 0 421.544 2.739 50 0 HFAARN CCOC(=O)C1=C(N)[C@]2(c3ccccc3NC2=O)c2c(C)nn(-c3ccccc3)c2O1 ZINC000585145614 559053378 /nfs/dbraw/zinc/05/33/78/559053378.db2.gz CXOKRKLVKSWNOK-QHCPKHFHSA-N 0 0 416.437 2.545 50 0 HFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3c(F)cccc3Cl)C2=O)o1 ZINC000060346174 559054214 /nfs/dbraw/zinc/05/42/14/559054214.db2.gz ZIGJPIXOFCJAOK-IBGZPJMESA-N 0 0 407.829 2.806 50 0 HFAARN COc1ccc(-c2nc3n(c2C(=O)Nc2ccc(F)cc2F)CCS3(=O)=O)cc1 ZINC000086069275 559059168 /nfs/dbraw/zinc/05/91/68/559059168.db2.gz VVJJCVVPGWXKMT-UHFFFAOYSA-N 0 0 419.409 2.877 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000004777959 559061203 /nfs/dbraw/zinc/06/12/03/559061203.db2.gz OAXCEZVPBTZFJU-QGZVFWFLSA-N 0 0 402.516 2.518 50 0 HFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCCc1cccc(Cl)c1 ZINC000023228780 559063722 /nfs/dbraw/zinc/06/37/22/559063722.db2.gz MUWPZWBWANMUOG-UHFFFAOYSA-N 0 0 409.891 2.634 50 0 HFAARN O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCCc1ccc(Cl)cc1 ZINC000004790372 559064446 /nfs/dbraw/zinc/06/44/46/559064446.db2.gz RVMJAXAESDWRJC-UHFFFAOYSA-N 0 0 405.907 2.934 50 0 HFAARN 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C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000005005554 559227125 /nfs/dbraw/zinc/22/71/25/559227125.db2.gz KQUABBHSKHMQQL-RBSFLKMASA-N 0 0 422.576 2.787 50 0 HFAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(C)cc2)c3=O)cc1 ZINC000005006627 559227518 /nfs/dbraw/zinc/22/75/18/559227518.db2.gz PWCVGVFWPCMQRA-XSFVSMFZSA-N 0 0 419.506 2.747 50 0 HFAARN CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc21 ZINC000005012982 559228181 /nfs/dbraw/zinc/22/81/81/559228181.db2.gz IRMFLHKSCBDYOI-UHFFFAOYSA-N 0 0 404.517 2.821 50 0 HFAARN COC(=O)c1ccccc1NC(=O)CSc1nc2sc(C)cc2c(=O)n1C ZINC000005017160 559228593 /nfs/dbraw/zinc/22/85/93/559228593.db2.gz KDDSGKXVHWXBRE-UHFFFAOYSA-N 0 0 403.485 2.821 50 0 HFAARN COc1ccc(CCNC(=O)Cn2ncc3c2c2ccccc2oc3=O)c(OC)c1 ZINC000005034348 559231909 /nfs/dbraw/zinc/23/19/09/559231909.db2.gz JAQVYMUQBQAEFD-UHFFFAOYSA-N 0 0 407.426 2.519 50 0 HFAARN CCCc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000005040703 559235517 /nfs/dbraw/zinc/23/55/17/559235517.db2.gz JFBNHOSVACAKCE-OYHNWAKOSA-N 0 0 400.475 2.866 50 0 HFAARN CCCN(CCC)C(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O ZINC000005042373 559235923 /nfs/dbraw/zinc/23/59/23/559235923.db2.gz ASXOARPZRJZHCA-UHFFFAOYSA-N 0 0 407.536 2.534 50 0 HFAARN Cc1cc(C)cc(-n2nnc3c2ncn(CC(=O)Nc2cccc(Cl)c2)c3=O)c1 ZINC000005057329 559237908 /nfs/dbraw/zinc/23/79/08/559237908.db2.gz YNMZWNQKIGOSES-UHFFFAOYSA-N 0 0 408.849 2.886 50 0 HFAARN Cn1c(=O)cc(OCCCC(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21 ZINC000005067679 559240132 /nfs/dbraw/zinc/24/01/32/559240132.db2.gz JMUOXTCYMRHZEP-MRXNPFEDSA-N 0 0 408.454 2.654 50 0 HFAARN Cn1c(=O)cc(OCCCC(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21 ZINC000005067681 559240140 /nfs/dbraw/zinc/24/01/40/559240140.db2.gz JMUOXTCYMRHZEP-INIZCTEOSA-N 0 0 408.454 2.654 50 0 HFAARN O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000005075428 559240911 /nfs/dbraw/zinc/24/09/11/559240911.db2.gz UAYXCIXIQREINI-UHFFFAOYSA-N 0 0 406.529 2.906 50 0 HFAARN COc1cc(OC)cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)c1 ZINC000005075960 559241115 /nfs/dbraw/zinc/24/11/15/559241115.db2.gz ALTHHTJUMCCBSY-UHFFFAOYSA-N 0 0 406.460 2.505 50 0 HFAARN CC(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)OC(C)(C)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000005082255 559242867 /nfs/dbraw/zinc/24/28/67/559242867.db2.gz DSXSASDKPNUIFN-BZSNNMDCSA-N 0 0 408.410 2.548 50 0 HFAARN C[C@@H](OC(=O)c1cc2ccccc2s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005088199 559243254 /nfs/dbraw/zinc/24/32/54/559243254.db2.gz SZGQHGXVUTYZKR-LLVKDONJSA-N 0 0 404.469 2.733 50 0 HFAARN CCCOc1ccc(CNC(=O)Cn2nc(CC)n3c4ccoc4cc3c2=O)cc1 ZINC000005135164 559250284 /nfs/dbraw/zinc/25/02/84/559250284.db2.gz FPGGFYUCUJRBDM-UHFFFAOYSA-N 0 0 408.458 2.910 50 0 HFAARN CCOc1ccccc1CNC(=O)Cn1nc(CC)n2c3ccsc3cc2c1=O ZINC000005135455 559250444 /nfs/dbraw/zinc/25/04/44/559250444.db2.gz AKEPDDSBUSPHBW-UHFFFAOYSA-N 0 0 410.499 2.988 50 0 HFAARN COc1ccc2[nH]c(SCC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)nc2c1 ZINC000005144809 559252448 /nfs/dbraw/zinc/25/24/48/559252448.db2.gz QQORENZQKWDDCV-UHFFFAOYSA-N 0 0 405.501 2.942 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)sc2n1 ZINC000005148892 559253115 /nfs/dbraw/zinc/25/31/15/559253115.db2.gz TZVOQHCTAAGPAW-UHFFFAOYSA-N 0 0 417.922 2.646 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)sc2n1 ZINC000005149025 559253195 /nfs/dbraw/zinc/25/31/95/559253195.db2.gz DSDMMYWSUWQCRP-CQSZACIVSA-N 0 0 417.922 2.646 50 0 HFAARN CCOc1ccccc1-c1nc2c([nH]c(=O)n2-c2cccc(Cl)c2)c(C(N)=O)n1 ZINC000005151501 559253958 /nfs/dbraw/zinc/25/39/58/559253958.db2.gz WVHKCQSVZGLNPP-UHFFFAOYSA-N 0 0 409.833 2.927 50 0 HFAARN COc1ccc(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000011719593 559255040 /nfs/dbraw/zinc/25/50/40/559255040.db2.gz FIJGKAGLHSRFOJ-CQSZACIVSA-N 0 0 423.560 2.527 50 0 HFAARN COc1ccccc1Cn1cnc2c1c(=O)n(CC1CC1)c(=O)n2-c1ccc(F)cc1 ZINC000037558003 559255279 /nfs/dbraw/zinc/25/52/79/559255279.db2.gz XTCBXNJUWUNWKU-UHFFFAOYSA-N 0 0 420.444 2.955 50 0 HFAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@@H](C(=O)NC[C@H]1CCCO1)C2 ZINC000247932726 559255599 /nfs/dbraw/zinc/25/55/99/559255599.db2.gz GFKMTENXVHTYQU-AOHZBQACSA-N 0 0 421.541 2.858 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cccc(Cl)c3n2C)cc1 ZINC000011726421 559255798 /nfs/dbraw/zinc/25/57/98/559255798.db2.gz RKHBUBBBCMLQIT-HTXNQAPBSA-N 0 0 409.920 2.885 50 0 HFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCCCSc1ccccc1 ZINC000011806192 559260047 /nfs/dbraw/zinc/26/00/47/559260047.db2.gz CCVUWDAVIOKVAM-IBGZPJMESA-N 0 0 418.515 2.876 50 0 HFAARN CCCC(=O)N1CCc2c(C(=O)OC)c(OCCc3ccsc3)cc(=O)n2CC1 ZINC000011838400 559261374 /nfs/dbraw/zinc/26/13/74/559261374.db2.gz WTRABILLZRECDL-UHFFFAOYSA-N 0 0 418.515 2.503 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)C1 ZINC000011856772 559262434 /nfs/dbraw/zinc/26/24/34/559262434.db2.gz ZTQGBUBKUCFMQV-OAHLLOKOSA-N 0 0 403.406 2.773 50 0 HFAARN Cc1cc(C)cc(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c1 ZINC000011858125 559262735 /nfs/dbraw/zinc/26/27/35/559262735.db2.gz IEKKANOBKIECOM-UHFFFAOYSA-N 0 0 422.528 2.788 50 0 HFAARN O=c1[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1-c1ccccc1Cl ZINC000100758512 559264437 /nfs/dbraw/zinc/26/44/37/559264437.db2.gz IWVPSWPFEBJCCP-SFHVURJKSA-N 0 0 408.845 2.601 50 0 biogenic HFAARN O=C(COC(=O)c1ccc(O)cc1O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000011872245 559264812 /nfs/dbraw/zinc/26/48/12/559264812.db2.gz KMLRANVRZPUKGG-UHFFFAOYSA-N 0 0 401.806 2.792 50 0 HFAARN O=c1[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1-c1ccc(Cl)cc1 ZINC000100769970 559265173 /nfs/dbraw/zinc/26/51/73/559265173.db2.gz XUXXIFTTYWPWFA-SFHVURJKSA-N 0 0 408.845 2.601 50 0 biogenic HFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000011917198 559267917 /nfs/dbraw/zinc/26/79/17/559267917.db2.gz XYWNRKXFASPAFB-UHFFFAOYSA-N 0 0 406.891 2.689 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2N(C)C(C)=O)c1C ZINC000011949112 559268806 /nfs/dbraw/zinc/26/88/06/559268806.db2.gz CLKFPIOVKSPRLC-UHFFFAOYSA-N 0 0 400.431 2.831 50 0 HFAARN CCOC(=O)c1s/c(=N/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)n(C)c1C ZINC000100819353 559269525 /nfs/dbraw/zinc/26/95/25/559269525.db2.gz WHYRXHJFYAQNDV-WKRAOLINSA-N 0 0 420.487 2.738 50 0 HFAARN CCC(=O)NCc1cc2n(n1)CCN(C(=O)CSCc1cc(C)cc(C)c1)C2 ZINC000426490110 559271850 /nfs/dbraw/zinc/27/18/50/559271850.db2.gz DGAHCUQYWGNROD-UHFFFAOYSA-N 0 0 400.548 2.802 50 0 HFAARN COc1ccc(NC(=O)CCc2ccccc2Br)cc1S(N)(=O)=O ZINC000050940467 559281983 /nfs/dbraw/zinc/28/19/83/559281983.db2.gz FBOKDHOMOYTGLK-UHFFFAOYSA-N 0 0 413.293 2.676 50 0 HFAARN O=C(Cn1nnc2ccccc2c1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000050966172 559282237 /nfs/dbraw/zinc/28/22/37/559282237.db2.gz USHAQFKXJCZVDL-OAQYLSRUSA-N 0 0 424.464 2.768 50 0 HFAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1O ZINC000013563266 559286637 /nfs/dbraw/zinc/28/66/37/559286637.db2.gz PAEKELPDGJTZKW-RIYZIHGNSA-N 0 0 403.257 2.934 50 0 HFAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCCc1ccccc1 ZINC000005169868 559287373 /nfs/dbraw/zinc/28/73/73/559287373.db2.gz SVUSKOPMDGNMGS-NRFANRHFSA-N 0 0 412.486 2.840 50 0 HFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000005186800 559290889 /nfs/dbraw/zinc/29/08/89/559290889.db2.gz VIDXMUZHQADPFJ-JLPRDLAKSA-N 0 0 406.463 2.666 50 0 HFAARN CCCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCCC[C@@H]1C)c(=O)n2CCCC ZINC000005189491 559291168 /nfs/dbraw/zinc/29/11/68/559291168.db2.gz PLYCWVGOESBSGC-IRXDYDNUSA-N 0 0 417.554 2.655 50 0 HFAARN COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 ZINC000061719150 559293467 /nfs/dbraw/zinc/29/34/67/559293467.db2.gz PNQHMZRKYILZFH-LBPRGKRZSA-N 0 0 417.263 2.717 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1cc(Cl)ccc1Cl ZINC000097956965 560053991 /nfs/dbraw/zinc/05/39/91/560053991.db2.gz TWKLRKDWDGGYPT-ZDUSSCGKSA-N 0 0 412.225 2.697 50 0 biogenic,in-vitro HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(F)c(F)c(F)c3)n2)cc1OC ZINC000061720899 560536407 /nfs/dbraw/zinc/53/64/07/560536407.db2.gz MUSUYLUZYYQJCN-UHFFFAOYSA-N 0 0 419.359 2.984 50 0 HFAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000061720199 560536481 /nfs/dbraw/zinc/53/64/81/560536481.db2.gz CROZCGSDAXWPJD-HNNXBMFYSA-N 0 0 413.547 2.881 50 0 HFAARN COc1ccc2cnn(CC(=O)Nc3nc(C(C)(C)C)cs3)c(=O)c2c1OC ZINC000061720417 560536634 /nfs/dbraw/zinc/53/66/34/560536634.db2.gz DAXCARBMGOWQIR-UHFFFAOYSA-N 0 0 402.476 2.806 50 0 HFAARN COCc1nnc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)s1 ZINC000061721185 560537444 /nfs/dbraw/zinc/53/74/44/560537444.db2.gz YVZJPKUMKXPZTK-UHFFFAOYSA-N 0 0 413.503 2.840 50 0 HFAARN C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccc1F ZINC000061721485 560537669 /nfs/dbraw/zinc/53/76/69/560537669.db2.gz QUIGNPDBJSDSIO-HNNXBMFYSA-N 0 0 402.445 2.501 50 0 HFAARN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c32)C1 ZINC000005219236 560544132 /nfs/dbraw/zinc/54/41/32/560544132.db2.gz VWYDBCFIIXMHOH-LBPRGKRZSA-N 0 0 421.881 2.822 50 0 HFAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O ZINC000005224086 560545483 /nfs/dbraw/zinc/54/54/83/560545483.db2.gz QNFWSRKQTWOMJK-OAQYLSRUSA-N 0 0 415.877 2.518 50 0 HFAARN C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccc(F)c(F)c1F ZINC000005239622 560548914 /nfs/dbraw/zinc/54/89/14/560548914.db2.gz KJGFXMHOFRNPHP-MNOVXSKESA-N 0 0 410.348 2.616 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2-c2ccccc2)NC(=O)N[C@@H]1CC ZINC000005244293 560550084 /nfs/dbraw/zinc/55/00/84/560550084.db2.gz AYCROBLPHXLFCV-CQSZACIVSA-N 0 0 413.430 2.715 50 0 HFAARN COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000005265782 560553619 /nfs/dbraw/zinc/55/36/19/560553619.db2.gz NEFSJYAFZMPWFH-HSZRJFAPSA-N 0 0 409.486 2.902 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000206245982 560555126 /nfs/dbraw/zinc/55/51/26/560555126.db2.gz JOXJLIYGSKSYEV-LJQANCHMSA-N 0 0 411.458 2.586 50 0 HFAARN CC[C@H](CO)NS(=O)(=O)c1cc(C)c(Br)cc1Br ZINC000054363423 560555678 /nfs/dbraw/zinc/55/56/78/560555678.db2.gz XBHDZHLKUTZHMK-MRVPVSSYSA-N 0 0 401.120 2.569 50 0 HFAARN COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3ccco3)s2)cc1 ZINC000005274604 560561399 /nfs/dbraw/zinc/56/13/99/560561399.db2.gz XEMDAJQPGGFELE-VZCXRCSSSA-N 0 0 412.471 2.903 50 0 HFAARN Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c(=O)n(-c2ccccc2)n1C ZINC000005308737 560563731 /nfs/dbraw/zinc/56/37/31/560563731.db2.gz DMSWBHRUEGVECV-UHFFFAOYSA-N 0 0 411.483 2.830 50 0 HFAARN COc1ccc2c(C)c(CC(=O)Nc3c4c(nn3C)CSC4)c(=O)oc2c1OC ZINC000062001764 560565884 /nfs/dbraw/zinc/56/58/84/560565884.db2.gz AAEDOTUZKTWZBV-UHFFFAOYSA-N 0 0 415.471 2.780 50 0 biogenic HFAARN COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc5nsnc5c4)CC3)nc2c1 ZINC000062012592 560567059 /nfs/dbraw/zinc/56/70/59/560567059.db2.gz CDPWNMZJLIQCOL-UHFFFAOYSA-N 0 0 408.487 2.534 50 0 HFAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1cc(=O)c2ccccc2o1 ZINC000062022961 560567482 /nfs/dbraw/zinc/56/74/82/560567482.db2.gz HAEYAETYMWTEFA-ZDUSSCGKSA-N 0 0 416.393 2.949 50 0 HFAARN Cc1ccc(OCc2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2N)c(C)c1 ZINC000005321001 560568069 /nfs/dbraw/zinc/56/80/69/560568069.db2.gz FLSHTIARTJYYBJ-HUUCEWRRSA-N 0 0 403.552 2.784 50 0 HFAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000005347856 560570795 /nfs/dbraw/zinc/57/07/95/560570795.db2.gz LOHULVVZXSKASG-INIZCTEOSA-N 0 0 415.442 2.762 50 0 HFAARN O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000005374800 560574618 /nfs/dbraw/zinc/57/46/18/560574618.db2.gz RSSXXGOPICFFQV-INIZCTEOSA-N 0 0 413.499 2.575 50 0 HFAARN CC[C@@H](C(=O)OCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1 ZINC000002629671 560586336 /nfs/dbraw/zinc/58/63/36/560586336.db2.gz RTNJPPYXOVFJLN-GOSISDBHSA-N 0 0 413.426 2.935 50 0 HFAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000005449228 560588467 /nfs/dbraw/zinc/58/84/67/560588467.db2.gz JEIBFIFYDXHGMI-UHFFFAOYSA-N 0 0 409.870 2.549 50 0 HFAARN NC(=O)c1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)sc2c1CCC2 ZINC000005467606 560592317 /nfs/dbraw/zinc/59/23/17/560592317.db2.gz PRESLFXSIPTHPY-UHFFFAOYSA-N 0 0 410.398 2.733 50 0 HFAARN CSc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000003299509 560592703 /nfs/dbraw/zinc/59/27/03/560592703.db2.gz NNCHORKQPGTXBS-UHFFFAOYSA-N 0 0 405.501 2.638 50 0 HFAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc3ccccc3c2)cc1 ZINC000003382383 560593965 /nfs/dbraw/zinc/59/39/65/560593965.db2.gz FXEOOEJRWNWELK-UHFFFAOYSA-N 0 0 400.525 2.938 50 0 HFAARN Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000003389278 560594082 /nfs/dbraw/zinc/59/40/82/560594082.db2.gz FKWDFESZEKJABH-UHFFFAOYSA-N 0 0 412.562 2.752 50 0 HFAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCC1 ZINC000003597966 560596887 /nfs/dbraw/zinc/59/68/87/560596887.db2.gz BAEVPLNEVPFROU-UHFFFAOYSA-N 0 0 418.471 2.503 50 0 HFAARN CCn1c(CN2CCCCCC2=O)nnc1SCc1cc(=O)n2ccsc2n1 ZINC000005538325 560606399 /nfs/dbraw/zinc/60/63/99/560606399.db2.gz JUHITJGSANTJAT-UHFFFAOYSA-N 0 0 418.548 2.562 50 0 HFAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000005536566 560606405 /nfs/dbraw/zinc/60/64/05/560606405.db2.gz IDHPQWVAYCGQIS-GFCCVEGCSA-N 0 0 407.875 2.878 50 0 HFAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004763392 560608606 /nfs/dbraw/zinc/60/86/06/560608606.db2.gz PVZKANPITJDGSW-UHFFFAOYSA-N 0 0 414.897 2.788 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000005615724 560631221 /nfs/dbraw/zinc/63/12/21/560631221.db2.gz NSMVGIYJAHFJLF-UHFFFAOYSA-N 0 0 400.859 2.919 50 0 HFAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc3ccccc3s1)C2=O ZINC000005629296 560634885 /nfs/dbraw/zinc/63/48/85/560634885.db2.gz BGDOITMLFSFNTA-UHFFFAOYSA-N 0 0 404.517 2.920 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cnn(-c3ccccc3)n2)ccc1C ZINC000008703904 560637707 /nfs/dbraw/zinc/63/77/07/560637707.db2.gz KWTJKSBSAYBYNO-UHFFFAOYSA-N 0 0 413.503 2.859 50 0 HFAARN CC(=O)N1CCc2cc(NC(=O)CN(C)[C@H](C)c3ccc(-n4cncn4)cc3)ccc21 ZINC000017306262 560707309 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COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)c1 ZINC000049410027 568449778 /nfs/dbraw/zinc/44/97/78/568449778.db2.gz PQALAKRPWFXZKE-UHFFFAOYSA-N 0 0 409.486 2.824 50 0 biogenic HFAARN O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1ccccc1 ZINC000049411536 568450194 /nfs/dbraw/zinc/45/01/94/568450194.db2.gz HTKGFTLMIRUYKG-UHFFFAOYSA-N 0 0 412.446 2.959 50 0 HFAARN COc1ccccc1CNC(=O)c1cnn(-c2cc(-c3nc(C)no3)ccn2)c1C ZINC000049420796 568450247 /nfs/dbraw/zinc/45/02/47/568450247.db2.gz ZBVHESRGHRZCIV-UHFFFAOYSA-N 0 0 404.430 2.873 50 0 HFAARN COc1ccc(C)c2cc(CCNS(=O)(=O)c3ccc(F)cc3C)c(=O)[nH]c12 ZINC000049597362 568452406 /nfs/dbraw/zinc/45/24/06/568452406.db2.gz GUUJZWVCMJYCMJ-UHFFFAOYSA-N 0 0 404.463 2.814 50 0 HFAARN CCc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049595336 568452467 /nfs/dbraw/zinc/45/24/67/568452467.db2.gz BDOPQOULKJXALU-HXUWFJFHSA-N 0 0 405.498 2.587 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C(C)C)n1 ZINC000012231542 568453581 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CC1(C)OC[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2O1 ZINC000000729715 568469132 /nfs/dbraw/zinc/46/91/32/568469132.db2.gz VEVTXBCHDVXHON-IYWMVGAKSA-N 0 0 412.438 2.988 50 0 HFAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1F ZINC000007154271 568472674 /nfs/dbraw/zinc/47/26/74/568472674.db2.gz ZNBXANXBSCZLMH-UHFFFAOYSA-N 0 0 409.446 2.656 50 0 HFAARN CC(C)c1ccc(-n2ccnc2S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000007177896 568473693 /nfs/dbraw/zinc/47/36/93/568473693.db2.gz QBRDIMDGURKARC-GOEBONIOSA-N 0 0 407.561 2.780 50 0 HFAARN CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000007287906 568478593 /nfs/dbraw/zinc/47/85/93/568478593.db2.gz PVIJBDLLJKXYHB-LJQANCHMSA-N 0 0 415.490 2.526 50 0 HFAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000798937 568483123 /nfs/dbraw/zinc/48/31/23/568483123.db2.gz DTEMPSVFNOZGDL-QGZVFWFLSA-N 0 0 420.487 2.926 50 0 HFAARN C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1nnc(-c2ccccc2)o1 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CCCc1nc(C)sc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000096232108 568707901 /nfs/dbraw/zinc/70/79/01/568707901.db2.gz WPKHXWMCRJGYKA-GOSISDBHSA-N 0 0 415.515 2.528 50 0 HFAARN C[C@H](NC(=O)CCN1C(=O)C[C@@](C)(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000096232332 568707994 /nfs/dbraw/zinc/70/79/94/568707994.db2.gz HEHJEGCOFXYSTK-WNSKOXEYSA-N 0 0 404.470 2.847 50 0 HFAARN CCOC(=O)Cc1csc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1 ZINC000018526501 568710773 /nfs/dbraw/zinc/71/07/73/568710773.db2.gz LJYBHGLAGLCNFR-UHFFFAOYSA-N 0 0 422.528 2.771 50 0 HFAARN Cc1ccc([C@H](CC(=O)NCCN2CCOCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530739 568710837 /nfs/dbraw/zinc/71/08/37/568710837.db2.gz AEESTSXQIBCDFU-QFIPXVFZSA-N 0 0 407.514 2.531 50 0 HFAARN C[C@@H](C(=O)Nc1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000024988917 568711322 /nfs/dbraw/zinc/71/13/22/568711322.db2.gz YXSPZSURVSMUBT-ZDUSSCGKSA-N 0 0 411.524 2.657 50 0 HFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1C ZINC000021532161 568711376 /nfs/dbraw/zinc/71/13/76/568711376.db2.gz REEWOOOOIABZEO-UHFFFAOYSA-N 0 0 415.515 2.837 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)Nc1ccccc1 ZINC000021535800 568711750 /nfs/dbraw/zinc/71/17/50/568711750.db2.gz LVBXRXCJIUIKLQ-FQEVSTJZSA-N 0 0 415.515 2.903 50 0 HFAARN CCN1CCN(c2nnc(-n3cccc3C(=O)NCc3ccc(C)cc3)s2)CC1 ZINC000021535355 568711761 /nfs/dbraw/zinc/71/17/61/568711761.db2.gz IIGRWHDVVZYBDF-UHFFFAOYSA-N 0 0 410.547 2.709 50 0 HFAARN C[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N(C)c1ccccc1 ZINC000229712227 568714955 /nfs/dbraw/zinc/71/49/55/568714955.db2.gz IZNPLFBGXSGJPK-YSGRDPCXSA-N 0 0 415.534 2.610 50 0 HFAARN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000229691527 568714998 /nfs/dbraw/zinc/71/49/98/568714998.db2.gz DHECTTNCXYEPLT-OXFYSEKESA-N 0 0 413.543 2.765 50 0 HFAARN CC(=O)N[C@H](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cccs1 ZINC000229799932 568715205 /nfs/dbraw/zinc/71/52/05/568715205.db2.gz GCVRGVRARURJEJ-GRDNDAEWSA-N 0 0 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/nfs/dbraw/zinc/72/49/88/568724988.db2.gz JTBOASLHWZMWHG-UHFFFAOYSA-N 0 0 417.531 2.649 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O ZINC000021629508 568724991 /nfs/dbraw/zinc/72/49/91/568724991.db2.gz GGWJNTSWFNZZLU-UHFFFAOYSA-N 0 0 405.495 2.779 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000021634043 568725201 /nfs/dbraw/zinc/72/52/01/568725201.db2.gz QEOSSXOWSCUIAA-UHFFFAOYSA-N 0 0 407.923 2.904 50 0 HFAARN CCS(=O)(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2ccccc2F)CC1 ZINC000096316884 568726112 /nfs/dbraw/zinc/72/61/12/568726112.db2.gz CPIDTIXHTSCORG-UHFFFAOYSA-N 0 0 418.538 2.864 50 0 HFAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCCc1ccccc1 ZINC000021640509 568727774 /nfs/dbraw/zinc/72/77/74/568727774.db2.gz XJNYRYMESFZTJW-UHFFFAOYSA-N 0 0 419.460 2.701 50 0 HFAARN O=C(c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21)N1CCN(Cc2ccccc2)CC1 ZINC000021646796 568728151 /nfs/dbraw/zinc/72/81/51/568728151.db2.gz XBEZOEXOAAKEIA-QFIPXVFZSA-N 0 0 404.514 2.956 50 0 HFAARN CCOc1ccc(Cn2c3nn(CC)c(=O)n3c3ccsc3c2=O)cc1OCC ZINC000096321823 568729288 /nfs/dbraw/zinc/72/92/88/568729288.db2.gz AJXNRVMUBYGURG-UHFFFAOYSA-N 0 0 414.487 2.738 50 0 HFAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)o2)n[nH]1 ZINC000096322178 568729845 /nfs/dbraw/zinc/72/98/45/568729845.db2.gz SWPPCCOPQNFTET-UHFFFAOYSA-N 0 0 420.535 2.781 50 0 HFAARN O=C(Cn1nc2c3cc(-c4ccccc4)nn3ccn2c1=O)Nc1ccc(F)cc1 ZINC000096322445 568730355 /nfs/dbraw/zinc/73/03/55/568730355.db2.gz GCZLTGGEKFVRID-UHFFFAOYSA-N 0 0 402.389 2.589 50 0 HFAARN CC(C)c1ccc(-c2cc3c4nn(CC(=O)N5CCCC5)c(=O)n4ccn3n2)cc1 ZINC000096322554 568730555 /nfs/dbraw/zinc/73/05/55/568730555.db2.gz PSAWFBSCSNRBAQ-UHFFFAOYSA-N 0 0 404.474 2.557 50 0 HFAARN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000241132878 568730784 /nfs/dbraw/zinc/73/07/84/568730784.db2.gz JMQYCELZCRPHJR-DPZWOIPNSA-N 0 0 406.548 2.529 50 0 HFAARN Cc1cc(Br)ccc1NCC(=O)NCCc1nnc2n1CCCCC2 ZINC000242292532 568732615 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COc1ccc(NC(=S)Nc2ccccc2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003340773 568883690 /nfs/dbraw/zinc/88/36/90/568883690.db2.gz UIGGGJWEYPTVPQ-UHFFFAOYSA-N 0 0 421.544 2.833 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1 ZINC000003340680 568883726 /nfs/dbraw/zinc/88/37/26/568883726.db2.gz CGWUWWOLIUPQDU-UHFFFAOYSA-N 0 0 404.488 2.821 50 0 HFAARN CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000003341901 568883847 /nfs/dbraw/zinc/88/38/47/568883847.db2.gz RLUKBWFXKOVHSL-FQEVSTJZSA-N 0 0 422.437 2.692 50 0 HFAARN COCCn1ccc2c1cccc2OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000263588563 568884313 /nfs/dbraw/zinc/88/43/13/568884313.db2.gz VTSOZPTWCSPHBS-UHFFFAOYSA-N 0 0 417.506 2.746 50 0 HFAARN COCCNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000003344443 568884296 /nfs/dbraw/zinc/88/42/96/568884296.db2.gz ACVDZMPHOIUDFV-UHFFFAOYSA-N 0 0 405.042 2.694 50 0 HFAARN Cc1cc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n(-c2cc(C)cc(C)c2)n1 ZINC000058111813 568887689 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/nfs/dbraw/zinc/90/03/08/568900308.db2.gz RCYDAJNFUSGNEL-UHFFFAOYSA-N 0 0 419.503 2.798 50 0 HFAARN COC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC000003425699 568900360 /nfs/dbraw/zinc/90/03/60/568900360.db2.gz BTPKKKJKJZVZHW-UHFFFAOYSA-N 0 0 421.471 2.988 50 0 HFAARN Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)coc2c1 ZINC000003428298 568901003 /nfs/dbraw/zinc/90/10/03/568901003.db2.gz QDPNVVQFRDSSMT-UHFFFAOYSA-N 0 0 404.513 2.878 50 0 HFAARN O=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000003429934 568901169 /nfs/dbraw/zinc/90/11/69/568901169.db2.gz CQQDVUIPDSMHPE-UHFFFAOYSA-N 0 0 411.414 2.522 50 0 HFAARN C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000003447890 568904885 /nfs/dbraw/zinc/90/48/85/568904885.db2.gz YTGOMIVORRQDDB-IQMFZBJNSA-N 0 0 406.486 2.863 50 0 HFAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000003459701 568906880 /nfs/dbraw/zinc/90/68/80/568906880.db2.gz WAZFPBDGIIFHEO-MBSDFSHPSA-N 0 0 409.486 2.934 50 0 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/nfs/dbraw/zinc/90/80/47/568908047.db2.gz JVAXCLZGWCHSKA-INIZCTEOSA-N 0 0 415.877 2.804 50 0 HFAARN COc1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)c(OC)c1 ZINC000004107726 568909606 /nfs/dbraw/zinc/90/96/06/568909606.db2.gz PVOZQYPHZGNKDL-JTQLQIEISA-N 0 0 407.517 2.565 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2C)S[C@H](C)C3)cc1 ZINC000004107694 568909730 /nfs/dbraw/zinc/90/97/30/568909730.db2.gz QXQLCSXVBMGGPK-LLVKDONJSA-N 0 0 419.528 2.725 50 0 HFAARN O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)C1CCC1 ZINC000263616386 568910945 /nfs/dbraw/zinc/91/09/45/568910945.db2.gz IKEAGRTZTUBAHE-NRFANRHFSA-N 0 0 413.497 2.569 50 0 HFAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(NC(C)=O)cc4)c3CO2)cc1 ZINC000263616843 568911065 /nfs/dbraw/zinc/91/10/65/568911065.db2.gz KVEZMRQJPSIIKA-LJQANCHMSA-N 0 0 407.430 2.769 50 0 HFAARN COc1ccc(-c2nn3ccn(Cc4ccc(OC)c(F)c4)c(=O)c3c2CO)cc1 ZINC000263617693 568911558 /nfs/dbraw/zinc/91/15/58/568911558.db2.gz PCOKGZFYJMMCMQ-UHFFFAOYSA-N 0 0 409.417 2.860 50 0 HFAARN COc1cccc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)cc3C2)c1OC ZINC000263618906 568912035 /nfs/dbraw/zinc/91/20/35/568912035.db2.gz WCABHMPVMDVRRL-UHFFFAOYSA-N 0 0 405.454 2.507 50 0 HFAARN COc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1OC ZINC000263618220 568912454 /nfs/dbraw/zinc/91/24/54/568912454.db2.gz RUABRCDRIWSFIH-SFHVURJKSA-N 0 0 412.421 2.636 50 0 HFAARN CCOc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)c1 ZINC000263619689 568912654 /nfs/dbraw/zinc/91/26/54/568912654.db2.gz ZZRAWTVUYYBLQK-HXUWFJFHSA-N 0 0 408.458 2.887 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000003537005 568913677 /nfs/dbraw/zinc/91/36/77/568913677.db2.gz FDERUCLOMNNWNM-GFCCVEGCSA-N 0 0 415.515 2.983 50 0 HFAARN COc1ccc(C(C)=O)cc1COC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000004284899 568913890 /nfs/dbraw/zinc/91/38/90/568913890.db2.gz FMYWVOVNQQVRQQ-UHFFFAOYSA-N 0 0 405.472 2.618 50 0 HFAARN Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000003543003 568913944 /nfs/dbraw/zinc/91/39/44/568913944.db2.gz ULEAOZWBTUCRHN-MRXNPFEDSA-N 0 0 413.426 2.559 50 0 HFAARN Cc1ccc(C(=O)N[C@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C(C)C)cc1 ZINC000003553105 568915189 /nfs/dbraw/zinc/91/51/89/568915189.db2.gz SSXJMDVACBARTO-IBGZPJMESA-N 0 0 421.419 2.922 50 0 HFAARN CCCn1nc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2c1=O ZINC000003563129 568915983 /nfs/dbraw/zinc/91/59/83/568915983.db2.gz MSQJVOQHQRALGA-OAHLLOKOSA-N 0 0 405.454 2.941 50 0 HFAARN COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003567316 568916299 /nfs/dbraw/zinc/91/62/99/568916299.db2.gz BJKMNVDCSOSTPG-UHFFFAOYSA-N 0 0 404.488 2.585 50 0 HFAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)sc2c1CCCC2 ZINC000003575930 568916671 /nfs/dbraw/zinc/91/66/71/568916671.db2.gz VGOGUHHCTVSTJV-LLVKDONJSA-N 0 0 409.460 2.562 50 0 HFAARN O=C(Cn1nnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012699203 568916929 /nfs/dbraw/zinc/91/69/29/568916929.db2.gz AJRGAZCFRUWKDV-UHFFFAOYSA-N 0 0 413.503 2.635 50 0 HFAARN CCc1nc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)sc1C(=O)OC ZINC000083820173 568917684 /nfs/dbraw/zinc/91/76/84/568917684.db2.gz UIACNSWNKHRUSU-UHFFFAOYSA-N 0 0 400.460 2.690 50 0 HFAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)C1CCCCC1 ZINC000003595616 568918524 /nfs/dbraw/zinc/91/85/24/568918524.db2.gz DQHXFEUNOURJPA-FQEVSTJZSA-N 0 0 409.433 2.846 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)c(OC)c1 ZINC000004165818 568918944 /nfs/dbraw/zinc/91/89/44/568918944.db2.gz SWHWYOORPUTVQX-UHFFFAOYSA-N 0 0 419.441 2.547 50 0 HFAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCCc1ccccc1 ZINC000004166696 568919370 /nfs/dbraw/zinc/91/93/70/568919370.db2.gz QMOYXKYMMNERPS-UHFFFAOYSA-N 0 0 408.462 2.801 50 0 HFAARN O=C(OCc1c(F)cccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003620466 568920648 /nfs/dbraw/zinc/92/06/48/568920648.db2.gz VNSXIODHRSZELX-UHFFFAOYSA-N 0 0 413.854 2.857 50 0 HFAARN COC(=O)[C@H](NC(=O)Cn1c2ccccc2nc1SC(F)F)c1ccccn1 ZINC000083884353 568922574 /nfs/dbraw/zinc/92/25/74/568922574.db2.gz OCSDFALKCZWIQG-OAHLLOKOSA-N 0 0 406.414 2.777 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)CCc2ccccc2)C1 ZINC000031333733 568924017 /nfs/dbraw/zinc/92/40/17/568924017.db2.gz FJBCPUNEVJYXBT-BEFAXECRSA-N 0 0 419.547 2.830 50 0 HFAARN O=C(CCCC(=O)c1ccccc1)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670450029 568925773 /nfs/dbraw/zinc/92/57/73/568925773.db2.gz FRCCDQPHFBUPTO-DOTRQFKVSA-N 0 0 417.553 2.723 50 0 HFAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc4nc(SC)sc4c3)cnc21 ZINC000012739470 568926633 /nfs/dbraw/zinc/92/66/33/568926633.db2.gz NOYQEIRUNIVGNT-UHFFFAOYSA-N 0 0 413.484 2.689 50 0 HFAARN COc1cc(OC)c(NC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1Cl ZINC000031557990 568928167 /nfs/dbraw/zinc/92/81/67/568928167.db2.gz XHQFIESGCGCXMB-MRXNPFEDSA-N 0 0 421.881 2.670 50 0 HFAARN COc1ccc(CC(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012744370 568930647 /nfs/dbraw/zinc/93/06/47/568930647.db2.gz QGYZXCFYRWJHOO-HNNXBMFYSA-N 0 0 405.520 2.730 50 0 HFAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1(c2ccccc2)CCC1 ZINC000012747132 568932769 /nfs/dbraw/zinc/93/27/69/568932769.db2.gz DLKKUGLVQNBVSY-UHFFFAOYSA-N 0 0 418.490 2.907 50 0 HFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c1=O ZINC000004004641 568933020 /nfs/dbraw/zinc/93/30/20/568933020.db2.gz ZSFMSUWWPRADCB-UHFFFAOYSA-N 0 0 409.442 2.539 50 0 HFAARN C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C1 ZINC000004031514 568934731 /nfs/dbraw/zinc/93/47/31/568934731.db2.gz QDLLKLBXZCOVHT-ZDUSSCGKSA-N 0 0 421.544 2.541 50 0 HFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3)C2)c1 ZINC000004036242 568935405 /nfs/dbraw/zinc/93/54/05/568935405.db2.gz BECJLLKUERJIJL-GOSISDBHSA-N 0 0 407.517 2.559 50 0 HFAARN CCNc1nc(NC(C)C)nc(Oc2ccc(=O)n(CCOc3ccccc3)n2)n1 ZINC000016652163 568935715 /nfs/dbraw/zinc/93/57/15/568935715.db2.gz SIVXHDXZLBGENV-UHFFFAOYSA-N 0 0 411.466 2.552 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc(F)cc2)C(=O)[C@]31C ZINC000004044087 568936151 /nfs/dbraw/zinc/93/61/51/568936151.db2.gz JXLWIYCUZMBFLL-QHCPKHFHSA-N 0 0 407.445 2.958 50 0 biogenic HFAARN Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C(C)C)C1=O ZINC000004765849 568936253 /nfs/dbraw/zinc/93/62/53/568936253.db2.gz YGMWVPKBYNAFQY-UHFFFAOYSA-O 0 0 421.452 2.767 50 0 HFAARN CCCCCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000004061081 568937088 /nfs/dbraw/zinc/93/70/88/568937088.db2.gz HMAJXBKQWVHFHD-XOBRGWDASA-N 0 0 404.463 2.560 50 0 biogenic HFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1OC ZINC000004078204 568938815 /nfs/dbraw/zinc/93/88/15/568938815.db2.gz WGLVNVRUOHWUAE-AWEZNQCLSA-N 0 0 418.515 2.522 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 ZINC000012754053 568942171 /nfs/dbraw/zinc/94/21/71/568942171.db2.gz KBHLPJHZBSJITL-UHFFFAOYSA-N 0 0 417.307 2.549 50 0 HFAARN COc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc(OC)c1OC ZINC000004106308 568943272 /nfs/dbraw/zinc/94/32/72/568943272.db2.gz HKCZLPRGJOTEQG-MUUNZHRXSA-N 0 0 407.492 2.679 50 0 HFAARN COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108000 568943808 /nfs/dbraw/zinc/94/38/08/568943808.db2.gz XOKATGVHVFCPCV-LBPRGKRZSA-N 0 0 421.544 2.666 50 0 HFAARN O=C(CN1CCN(C(=O)CCOc2ccccc2F)CC1)Nc1cccc(F)c1 ZINC000012759630 568943913 /nfs/dbraw/zinc/94/39/13/568943913.db2.gz XWIRLBNSUZJWRZ-UHFFFAOYSA-N 0 0 403.429 2.517 50 0 HFAARN COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(OC)c1 ZINC000004111509 568944173 /nfs/dbraw/zinc/94/41/73/568944173.db2.gz VGNDZBCHUKTNBZ-UHFFFAOYSA-N 0 0 421.500 2.539 50 0 HFAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012757217 568944234 /nfs/dbraw/zinc/94/42/34/568944234.db2.gz HZOJOEJFSOKKPI-INIZCTEOSA-N 0 0 418.291 2.941 50 0 HFAARN COc1cc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc(OC)c1OC ZINC000015511206 568944572 /nfs/dbraw/zinc/94/45/72/568944572.db2.gz CELSZYDMAAYDQO-UHFFFAOYSA-N 0 0 400.431 2.857 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 ZINC000012760454 568945291 /nfs/dbraw/zinc/94/52/91/568945291.db2.gz GTHMALIJRLAACT-UHFFFAOYSA-N 0 0 411.483 2.797 50 0 HFAARN CCc1nc(SCc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138950 568945865 /nfs/dbraw/zinc/94/58/65/568945865.db2.gz NYJUVXRYYRLUML-UHFFFAOYSA-N 0 0 410.421 2.901 50 0 HFAARN CCN(CC)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(CC)CC)n1 ZINC000004142082 568946263 /nfs/dbraw/zinc/94/62/63/568946263.db2.gz POBNJXJCWCQEQF-UHFFFAOYSA-N 0 0 401.515 2.765 50 0 HFAARN CC(C)(C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012763575 568947048 /nfs/dbraw/zinc/94/70/48/568947048.db2.gz QPDUAYLNZKXBJM-UHFFFAOYSA-N 0 0 406.479 2.763 50 0 HFAARN O=C(C[S@](=O)Cc1ccc(Br)cc1)Nc1ccc2c(c1)C(=O)NC2 ZINC000084403275 568948585 /nfs/dbraw/zinc/94/85/85/568948585.db2.gz XKNPSNKNBLRDTR-DEOSSOPVSA-N 0 0 407.289 2.580 50 0 HFAARN O=C(NCCC1=CCCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000004193190 568950575 /nfs/dbraw/zinc/95/05/75/568950575.db2.gz GZWZNCVMYWSKIG-ZWKOTPCHSA-N 0 0 419.572 2.987 50 0 HFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000004193432 568950726 /nfs/dbraw/zinc/95/07/26/568950726.db2.gz KUTIWEAYVDCLRY-KJWYOANISA-N 0 0 421.588 2.699 50 0 HFAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000084562532 568951117 /nfs/dbraw/zinc/95/11/17/568951117.db2.gz KZXBZLDZERRYQS-UHFFFAOYSA-N 0 0 414.509 2.823 50 0 HFAARN COc1cc(C(=O)NCc2ccccc2Cl)ccc1OCC(=O)N1CCOCC1 ZINC000015584033 568951497 /nfs/dbraw/zinc/95/14/97/568951497.db2.gz FKORKHWQVJLWCU-UHFFFAOYSA-N 0 0 418.877 2.516 50 0 HFAARN O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000032249857 568951500 /nfs/dbraw/zinc/95/15/00/568951500.db2.gz MKFWCQGPEGQOAU-HXUWFJFHSA-N 0 0 406.486 2.686 50 0 HFAARN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(OCC1(CC)COC1)C(F)(F)F ZINC000004208128 568951763 /nfs/dbraw/zinc/95/17/63/568951763.db2.gz GQCGTXANJCXGEY-GOSISDBHSA-N 0 0 419.396 2.690 50 0 biogenic HFAARN O=C(CCCc1nc(-c2cccs2)no1)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000084609807 568952773 /nfs/dbraw/zinc/95/27/73/568952773.db2.gz BJPGHFXKKKSQEZ-CQSZACIVSA-N 0 0 411.487 2.547 50 0 HFAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)CC1 ZINC000012772620 568952825 /nfs/dbraw/zinc/95/28/25/568952825.db2.gz HDWJEQNJEVUCJB-UHFFFAOYSA-N 0 0 419.572 2.744 50 0 HFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 ZINC000012774093 568953435 /nfs/dbraw/zinc/95/34/35/568953435.db2.gz UMZQJGIFGADLHI-UHFFFAOYSA-N 0 0 422.459 2.962 50 0 HFAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1cccc(-n2cnnn2)c1 ZINC000012775048 568953593 /nfs/dbraw/zinc/95/35/93/568953593.db2.gz PKPOJLHZCUDHQR-UHFFFAOYSA-N 0 0 403.446 2.791 50 0 HFAARN CCc1nnc(NC(=O)CSc2nccn2Cc2ccc3c(c2)OCO3)s1 ZINC000004248839 568954004 /nfs/dbraw/zinc/95/40/04/568954004.db2.gz WSJZROXXZFLIRZ-UHFFFAOYSA-N 0 0 403.489 2.805 50 0 HFAARN C[C@@H](CC(=O)O[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccncc1 ZINC000084636857 568954150 /nfs/dbraw/zinc/95/41/50/568954150.db2.gz HAYZYJOHXZRLNA-RYUDHWBXSA-N 0 0 423.391 2.679 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1Cc1ccccc1 ZINC000004250703 568954827 /nfs/dbraw/zinc/95/48/27/568954827.db2.gz YEJVBXPBYJKIHV-UHFFFAOYSA-N 0 0 413.481 2.863 50 0 HFAARN COc1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1OC ZINC000004251336 568955163 /nfs/dbraw/zinc/95/51/63/568955163.db2.gz JCKJOWYSAPYLHO-UHFFFAOYSA-N 0 0 402.428 2.902 50 0 HFAARN C[C@@H]1CN([C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000084715119 568956871 /nfs/dbraw/zinc/95/68/71/568956871.db2.gz VXDYWCDRIVDUJR-YPMHNXCESA-N 0 0 402.442 2.692 50 0 HFAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCCOC(C)C)c2ccccc21 ZINC000004271939 568957114 /nfs/dbraw/zinc/95/71/14/568957114.db2.gz GVTVNOVVLQFIOT-UHFFFAOYSA-N 0 0 401.507 2.624 50 0 HFAARN Cc1cc(C)cc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 ZINC000004272301 568957355 /nfs/dbraw/zinc/95/73/55/568957355.db2.gz LUBDUYANQIDSPV-UHFFFAOYSA-N 0 0 419.481 2.938 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 ZINC000004272593 568957474 /nfs/dbraw/zinc/95/74/74/568957474.db2.gz MSFZUIOQQNHJLO-FQEVSTJZSA-N 0 0 420.513 2.835 50 0 HFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)C1 ZINC000004275746 568958147 /nfs/dbraw/zinc/95/81/47/568958147.db2.gz WWFOTYGKDHOKDL-STQMWFEESA-N 0 0 421.544 2.766 50 0 HFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 ZINC000004280325 568958661 /nfs/dbraw/zinc/95/86/61/568958661.db2.gz HBHOWLNVAXQOGO-UHFFFAOYSA-N 0 0 403.460 2.623 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CCOc4ccccc43)nc2c1 ZINC000084774001 568958996 /nfs/dbraw/zinc/95/89/96/568958996.db2.gz HWYPXHTYXGBTGS-UHFFFAOYSA-N 0 0 400.504 2.992 50 0 HFAARN COc1ccccc1-n1c(O)c2c(C(C)=O)nn(-c3cccc(Cl)c3C)c2c1O ZINC000004281889 568959119 /nfs/dbraw/zinc/95/91/19/568959119.db2.gz CQGUKWUAXGSPKF-HKUYNNGSSA-N 0 0 411.845 2.980 50 0 HFAARN COc1cccc(CNc2nn3c(nc(C)c(Cc4ccccc4)c3=O)[nH]2)c1OC ZINC000015668993 568960733 /nfs/dbraw/zinc/96/07/33/568960733.db2.gz CFDYGKJSTACFMR-UHFFFAOYSA-N 0 0 405.458 2.946 50 0 HFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000007988496 568965854 /nfs/dbraw/zinc/96/58/54/568965854.db2.gz OOGGSXFNYJACLE-UHFFFAOYSA-N 0 0 410.455 2.680 50 0 HFAARN CCCCn1c(N)c(N(C)C(=O)c2ccsc2-n2c(C)ccc2C)c(=O)[nH]c1=O ZINC000007988983 568966127 /nfs/dbraw/zinc/96/61/27/568966127.db2.gz SOMWYEBSBNSYML-UHFFFAOYSA-N 0 0 415.519 2.665 50 0 HFAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007989115 568966177 /nfs/dbraw/zinc/96/61/77/568966177.db2.gz FLMGREUVPSGMIV-KXBFYZLASA-N 0 0 410.511 2.641 50 0 HFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(-c3ccccn3)cs2)C1=O ZINC000007990651 568966964 /nfs/dbraw/zinc/96/69/64/568966964.db2.gz XIBWWCKCRNTDJZ-FQEVSTJZSA-N 0 0 407.455 2.611 50 0 HFAARN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1OC ZINC000007990686 568967020 /nfs/dbraw/zinc/96/70/20/568967020.db2.gz LHSWPUOELRHGJA-GOSISDBHSA-N 0 0 408.454 2.954 50 0 HFAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000015680871 568967461 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2.909 50 0 HFAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593636 569041639 /nfs/dbraw/zinc/04/16/39/569041639.db2.gz PNJDALFXKAIMQJ-YEJXKQKISA-N 0 0 421.409 2.951 50 0 HFAARN Cc1occc1-c1nnc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)o1 ZINC000012974925 569042037 /nfs/dbraw/zinc/04/20/37/569042037.db2.gz XHYKUSJHNTVSQV-UHFFFAOYSA-N 0 0 421.339 2.893 50 0 HFAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000035510213 569042161 /nfs/dbraw/zinc/04/21/61/569042161.db2.gz CDQCGEJBJGOXTD-QGZVFWFLSA-N 0 0 405.539 2.896 50 0 HFAARN O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000090612643 569042874 /nfs/dbraw/zinc/04/28/74/569042874.db2.gz FNQKJAHILDASQO-CQSZACIVSA-N 0 0 419.377 2.716 50 0 HFAARN O=C(NCCc1ccccc1)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 ZINC000090613743 569042896 /nfs/dbraw/zinc/04/28/96/569042896.db2.gz XTRNTXDYTJKVQQ-SFHVURJKSA-N 0 0 400.525 2.866 50 0 HFAARN COc1ccc(C2(CNS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CCCC2)cc1 ZINC000090614353 569042910 /nfs/dbraw/zinc/04/29/10/569042910.db2.gz WMBMTUOFPXNFMA-UHFFFAOYSA-N 0 0 416.499 2.930 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCCc2ccccc2)cc1C ZINC000035535014 569043508 /nfs/dbraw/zinc/04/35/08/569043508.db2.gz GISXQQKGVAEGRK-HXUWFJFHSA-N 0 0 414.527 2.732 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1 ZINC000035536785 569043610 /nfs/dbraw/zinc/04/36/10/569043610.db2.gz ALOIOPBELBURRF-UHFFFAOYSA-N 0 0 413.499 2.760 50 0 HFAARN O=c1c2ccc(F)cc2ncn1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000035526447 569043769 /nfs/dbraw/zinc/04/37/69/569043769.db2.gz NUSNODQVLBWSAD-UHFFFAOYSA-N 0 0 423.416 2.840 50 0 HFAARN CCc1nc2ccccc2c(=O)n1Cc1noc([C@H](C)NC(=O)c2ccccc2)n1 ZINC000035552477 569044601 /nfs/dbraw/zinc/04/46/01/569044601.db2.gz YKHVFCBDJZAMIC-AWEZNQCLSA-N 0 0 403.442 2.881 50 0 HFAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000006392908 569046470 /nfs/dbraw/zinc/04/64/70/569046470.db2.gz OKEOCDRLAVIUEQ-DEOSSOPVSA-N 0 0 420.465 2.987 50 0 HFAARN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000012980918 569046558 /nfs/dbraw/zinc/04/65/58/569046558.db2.gz GKFBMDKHXORLMG-SFHVURJKSA-N 0 0 409.939 2.589 50 0 HFAARN CCC[C@@H](CNC(=O)COC(=O)C1=NNC(=O)CC1)c1ccc(Cl)cc1Cl ZINC000006415535 569046915 /nfs/dbraw/zinc/04/69/15/569046915.db2.gz ODNRLDOKNROYKA-NSHDSACASA-N 0 0 414.289 2.803 50 0 HFAARN COc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)CC2=O)c1 ZINC000012988147 569047524 /nfs/dbraw/zinc/04/75/24/569047524.db2.gz ACWXXCNAOIGXMN-MSOLQXFVSA-N 0 0 421.497 2.925 50 0 HFAARN CCc1ccccc1-n1c(SCCN2C(=O)CNC2=O)nc2ccccc2c1=O ZINC000012984780 569047663 /nfs/dbraw/zinc/04/76/63/569047663.db2.gz VSDXJJGXYOLBGB-UHFFFAOYSA-N 0 0 408.483 2.592 50 0 HFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000012985258 569047720 /nfs/dbraw/zinc/04/77/20/569047720.db2.gz DBFATHJCPJBHND-LJQANCHMSA-N 0 0 422.514 2.822 50 0 HFAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(C(N)=O)cc1 ZINC000035684808 569050003 /nfs/dbraw/zinc/05/00/03/569050003.db2.gz AAPOTBRQKSPVQA-MRXNPFEDSA-N 0 0 405.414 2.829 50 0 HFAARN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000013010637 569050082 /nfs/dbraw/zinc/05/00/82/569050082.db2.gz KHIIFPMFTUTRBN-AWEZNQCLSA-N 0 0 424.519 2.966 50 0 HFAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c12 ZINC000013011762 569050502 /nfs/dbraw/zinc/05/05/02/569050502.db2.gz ZTCPBLGQSWNMIJ-GFCCVEGCSA-N 0 0 403.435 2.596 50 0 HFAARN Cc1cc(C)nc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 ZINC000239309155 569054134 /nfs/dbraw/zinc/05/41/34/569054134.db2.gz HFVXNRINUXJUCC-QRVBRYPASA-N 0 0 406.486 2.818 50 0 HFAARN CC(C)[C@@]1(C)CC(=O)N(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O ZINC000239760912 569054462 /nfs/dbraw/zinc/05/44/62/569054462.db2.gz CIINENDZTAGVLS-XCGNWRKASA-N 0 0 401.507 2.660 50 0 HFAARN CC(=O)Oc1ccc2c(c1)occ([C@H]1[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O ZINC000001830146 569056312 /nfs/dbraw/zinc/05/63/12/569056312.db2.gz QLPUCPGOPUIEDP-WIYYLYMNSA-N 0 0 418.405 2.888 50 0 biogenic HFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC000054090760 569057096 /nfs/dbraw/zinc/05/70/96/569057096.db2.gz RVOFQFMKGUEQAB-CQSZACIVSA-N 0 0 418.515 2.936 50 0 HFAARN COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)c(OC)c1 ZINC000026842614 569057199 /nfs/dbraw/zinc/05/71/99/569057199.db2.gz QSBZNVNFEWVXIP-NDENLUEZSA-N 0 0 420.490 2.580 50 0 HFAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nnnn32)cc1OC ZINC000006476675 569058728 /nfs/dbraw/zinc/05/87/28/569058728.db2.gz UNIPEFQNSSZNSN-LJQANCHMSA-N 0 0 406.446 2.926 50 0 HFAARN COc1ccc2ccc(Oc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)cc2c1 ZINC000089382747 569058842 /nfs/dbraw/zinc/05/88/42/569058842.db2.gz VKHUOUPUJOWJQX-UHFFFAOYSA-N 0 0 413.499 2.972 50 0 HFAARN CCN(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)CC(=O)NC(C)C ZINC000016563377 569059187 /nfs/dbraw/zinc/05/91/87/569059187.db2.gz TUZJYROMFHINOJ-SFHVURJKSA-N 0 0 424.545 2.963 50 0 HFAARN COC(=O)Cn1ccnc1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000089401013 569059373 /nfs/dbraw/zinc/05/93/73/569059373.db2.gz WRWCJJBNAIRDEP-UHFFFAOYSA-N 0 0 406.280 2.557 50 0 HFAARN CC[C@H]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)N2CCOCC2)C1 ZINC000006489709 569059601 /nfs/dbraw/zinc/05/96/01/569059601.db2.gz VQEQGNLHGAAAHT-ZDUSSCGKSA-N 0 0 402.520 2.721 50 0 HFAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002136354 569060496 /nfs/dbraw/zinc/06/04/96/569060496.db2.gz QAGSTWWQZBECMR-GOSISDBHSA-N 0 0 422.437 2.674 50 0 biogenic HFAARN CC(C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035807342 569060841 /nfs/dbraw/zinc/06/08/41/569060841.db2.gz FSSWUDMQQDPNJI-RTBURBONSA-N 0 0 409.486 2.599 50 0 HFAARN Cc1[nH]c2ccccc2c1CN=Nc1nc(N2CCCC2)nc(N2CCOCC2)n1 ZINC000252617441 569060884 /nfs/dbraw/zinc/06/08/84/569060884.db2.gz KSVXNKGTAYCFFL-UHFFFAOYSA-N 0 0 406.494 2.544 50 0 HFAARN O=C(CN1CCN(C(=O)N2CCCCC2)CC1)Nc1ccc(Br)cc1 ZINC000054225139 569061341 /nfs/dbraw/zinc/06/13/41/569061341.db2.gz VUDKLIDJSLECIY-UHFFFAOYSA-N 0 0 409.328 2.611 50 0 HFAARN O=C(CSc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1)N1CCCC1 ZINC000006507286 569061802 /nfs/dbraw/zinc/06/18/02/569061802.db2.gz RDKPQRTZFAUXBP-MRXNPFEDSA-N 0 0 412.511 2.971 50 0 HFAARN CCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000006509358 569062099 /nfs/dbraw/zinc/06/20/99/569062099.db2.gz XEQZUGLBJQCHSD-UHFFFAOYSA-N 0 0 414.412 2.502 50 0 HFAARN Cc1sc2nc(CS[C@H](C)C(=O)OCC(=O)c3ccc[nH]3)[nH]c(=O)c2c1C ZINC000006510882 569062256 /nfs/dbraw/zinc/06/22/56/569062256.db2.gz RBYWSHCEORAXIN-LLVKDONJSA-N 0 0 405.501 2.977 50 0 HFAARN CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000006538733 569064460 /nfs/dbraw/zinc/06/44/60/569064460.db2.gz UMRVEUGXSKFPAU-UHFFFAOYSA-N 0 0 404.488 2.887 50 0 HFAARN Cc1cccc(C(C)C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000006540311 569064512 /nfs/dbraw/zinc/06/45/12/569064512.db2.gz JATIBLCLKCZFRL-UHFFFAOYSA-N 0 0 417.531 2.703 50 0 HFAARN CC[C@@H](C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 ZINC000006540262 569064547 /nfs/dbraw/zinc/06/45/47/569064547.db2.gz RVFCLRQRSSWUAS-MRXNPFEDSA-N 0 0 417.531 2.785 50 0 HFAARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000006542089 569064773 /nfs/dbraw/zinc/06/47/73/569064773.db2.gz SFXTXYHJPXMPJS-UHFFFAOYSA-N 0 0 407.858 2.911 50 0 HFAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O ZINC000006545608 569065011 /nfs/dbraw/zinc/06/50/11/569065011.db2.gz ADYYNLGOTWXNDM-DEOSSOPVSA-N 0 0 401.466 2.966 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000006552401 569065334 /nfs/dbraw/zinc/06/53/34/569065334.db2.gz HKSCRBOZLWULMT-UHFFFAOYSA-N 0 0 403.442 2.846 50 0 HFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000006560625 569065805 /nfs/dbraw/zinc/06/58/05/569065805.db2.gz TYPGSONXYFYZBR-QGZVFWFLSA-N 0 0 413.543 2.856 50 0 HFAARN CCN(CC)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)c(=O)n2C ZINC000064526238 569065842 /nfs/dbraw/zinc/06/58/42/569065842.db2.gz JZHCLBPCWGJSLZ-UHFFFAOYSA-N 0 0 414.893 2.989 50 0 HFAARN CCN(CC)c1cc2c(cc1NC(=O)CCC1CCCC1)n(C)c(=O)c(=O)n2C ZINC000064526284 569065852 /nfs/dbraw/zinc/06/58/52/569065852.db2.gz WXBKFKPWFUAEMO-UHFFFAOYSA-N 0 0 400.523 2.992 50 0 HFAARN COCC(=O)Nc1ccc2c(c1)CN(Cc1cccc(OC)c1OC)C(=O)[C@H](C)O2 ZINC000035909734 569065891 /nfs/dbraw/zinc/06/58/91/569065891.db2.gz UAPMYGJRYMLYJE-AWEZNQCLSA-N 0 0 414.458 2.598 50 0 HFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1)C(C)=O ZINC000035947735 569067391 /nfs/dbraw/zinc/06/73/91/569067391.db2.gz ZQNAHSJATSTPDL-QFIPXVFZSA-N 0 0 409.486 2.868 50 0 HFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1OC)C(C)=O ZINC000035948415 569067476 /nfs/dbraw/zinc/06/74/76/569067476.db2.gz OSFGCMSZUXPPOK-SFHVURJKSA-N 0 0 415.515 2.929 50 0 HFAARN Cc1c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)sc2[nH]c(C)nc(=O)c12 ZINC000006586749 569067766 /nfs/dbraw/zinc/06/77/66/569067766.db2.gz QOGQIPJWDYCQED-UHFFFAOYSA-N 0 0 405.863 2.728 50 0 HFAARN O=C(c1cnccn1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000006589881 569068357 /nfs/dbraw/zinc/06/83/57/569068357.db2.gz HRHYLEAYAQVDST-UHFFFAOYSA-N 0 0 414.531 2.671 50 0 HFAARN CCN1C2=C(C(=O)N([C@H](C(=O)NC3CC3)C(C)C)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966264 569069075 /nfs/dbraw/zinc/06/90/75/569069075.db2.gz ZQFOJCKZFNBVCP-SFTDATJTSA-N 0 0 424.545 2.789 50 0 HFAARN C[C@@H](Oc1ccc(S(=O)(=O)NCc2cccnc2)cc1)C(=O)NC1CCCCC1 ZINC000004414063 569071310 /nfs/dbraw/zinc/07/13/10/569071310.db2.gz GQINSZXXGHPMAX-MRXNPFEDSA-N 0 0 417.531 2.776 50 0 HFAARN COC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000004488399 569071372 /nfs/dbraw/zinc/07/13/72/569071372.db2.gz QOHKYJOJYSTRLE-NSHDSACASA-N 0 0 409.335 2.545 50 0 HFAARN CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006607109 569071570 /nfs/dbraw/zinc/07/15/70/569071570.db2.gz WPHQMRBPNZNSKG-CQSZACIVSA-N 0 0 406.552 2.826 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000005050215 569071658 /nfs/dbraw/zinc/07/16/58/569071658.db2.gz XGSJJLRRNXQIRF-NSHDSACASA-N 0 0 413.293 2.763 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)NCCc4cnn(C)c4)csc3C2)nc1 ZINC000426550079 569073423 /nfs/dbraw/zinc/07/34/23/569073423.db2.gz SOECJMHHPGSLBF-UHFFFAOYSA-N 0 0 409.559 2.970 50 0 HFAARN CCNC(=O)N1CCN(c2nc(CC)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000035990382 569074502 /nfs/dbraw/zinc/07/45/02/569074502.db2.gz YLVHXMDJIAXVLG-UHFFFAOYSA-N 0 0 407.522 2.846 50 0 HFAARN COc1cc2c(cc1OC)CN(Cc1nc3cc(OC)c(OC)cc3c(=O)[nH]1)CC2 ZINC000006618230 569074756 /nfs/dbraw/zinc/07/47/56/569074756.db2.gz ZNUZZZZPANLYPD-UHFFFAOYSA-N 0 0 411.458 2.516 50 0 HFAARN COc1ccc(-n2ncc3c2nc(C)nc3N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000036003073 569075549 /nfs/dbraw/zinc/07/55/49/569075549.db2.gz JDKBOECKNUJMFU-UHFFFAOYSA-N 0 0 423.521 2.763 50 0 HFAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000006624465 569075597 /nfs/dbraw/zinc/07/55/97/569075597.db2.gz JMQHDPGEFRNBMV-XARGGIHNSA-N 0 0 405.498 2.551 50 0 HFAARN CC[C@@H](C)CN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024574 569077578 /nfs/dbraw/zinc/07/75/78/569077578.db2.gz NASPXEWCEVURFL-MJGOQNOKSA-N 0 0 407.580 2.670 50 0 HFAARN CCNC(=O)N1CCCN(c2nc(C)nc3c2cnn3-c2ccc(C)cc2C)CC1 ZINC000036025999 569079545 /nfs/dbraw/zinc/07/95/45/569079545.db2.gz ZDDLXIJKVIVYCZ-UHFFFAOYSA-N 0 0 407.522 2.982 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)c1 ZINC000036037736 569080324 /nfs/dbraw/zinc/08/03/24/569080324.db2.gz AAEUPFHIGITHIR-UHFFFAOYSA-N 0 0 419.522 2.696 50 0 HFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000006653024 569081613 /nfs/dbraw/zinc/08/16/13/569081613.db2.gz LYXKVMMUGZJMKL-YJBOKZPZSA-N 0 0 422.547 2.569 50 0 HFAARN CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000006652120 569081670 /nfs/dbraw/zinc/08/16/70/569081670.db2.gz LFJWEAKDZSXMTE-MRXNPFEDSA-N 0 0 419.455 2.809 50 0 HFAARN COc1cc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NC(C)C)cc(OC)c1OC ZINC000036044632 569081835 /nfs/dbraw/zinc/08/18/35/569081835.db2.gz ONGWHVVXKNPYNY-JKSUJKDBSA-N 0 0 421.538 2.761 50 0 HFAARN COCCCNC(=O)[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cc(OC)ccc1OC ZINC000036045427 569082042 /nfs/dbraw/zinc/08/20/42/569082042.db2.gz LGYPOGXVOMTISE-OALUTQOASA-N 0 0 420.550 2.835 50 0 HFAARN COc1ccc([C@@H]2CN(C(=O)C3CC3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000036041572 569082189 /nfs/dbraw/zinc/08/21/89/569082189.db2.gz GINVHVMRXWEWNT-VQTJNVASSA-N 0 0 422.481 2.692 50 0 HFAARN COc1cccc(/C=C2\SC(=O)N(CCC(=O)NCCCn3ccnc3)C2=O)c1 ZINC000006660525 569083180 /nfs/dbraw/zinc/08/31/80/569083180.db2.gz NZLDVOFGEZOKAS-LGMDPLHJSA-N 0 0 414.487 2.525 50 0 HFAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000036051829 569083815 /nfs/dbraw/zinc/08/38/15/569083815.db2.gz WMZNLBKFYAZGRM-LEWJYISDSA-N 0 0 408.498 2.718 50 0 HFAARN COc1cccc([C@@H]2CN(C(=S)NC3CC3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036055324 569084558 /nfs/dbraw/zinc/08/45/58/569084558.db2.gz ILXBSUZWKDRIMC-IRXDYDNUSA-N 0 0 405.564 2.528 50 0 HFAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2F)c1=O)CCCC3 ZINC000006662052 569085454 /nfs/dbraw/zinc/08/54/54/569085454.db2.gz DZTBKARJBCXXMH-UHFFFAOYSA-N 0 0 416.474 2.854 50 0 HFAARN CCCNC(=O)N(CC)CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036072991 569086375 /nfs/dbraw/zinc/08/63/75/569086375.db2.gz KHZGOVNMQRLUDI-UHFFFAOYSA-N 0 0 424.549 2.624 50 0 HFAARN Cc1ccc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3ccccc3C)c2=O)cc1C ZINC000036086372 569087957 /nfs/dbraw/zinc/08/79/57/569087957.db2.gz JPVVLTNIBRIBGQ-UHFFFAOYSA-N 0 0 420.513 2.754 50 0 HFAARN Cc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n([C@@H](C)c3ccccc3)c2=O)cc1F ZINC000036088978 569088855 /nfs/dbraw/zinc/08/88/55/569088855.db2.gz OXTMDPWEVIVKLR-HNNXBMFYSA-N 0 0 410.449 2.589 50 0 HFAARN Cc1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3)c2=O)cc1Cl ZINC000036089072 569088952 /nfs/dbraw/zinc/08/89/52/569088952.db2.gz FQTUJAPAUXHZQC-UHFFFAOYSA-N 0 0 424.888 2.544 50 0 HFAARN CCNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000064759389 569090708 /nfs/dbraw/zinc/09/07/08/569090708.db2.gz XQLGIKVPASUVOL-UHFFFAOYSA-N 0 0 410.861 2.952 50 0 HFAARN CCOc1cc(C)c(S(=O)(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1C ZINC000036108749 569093200 /nfs/dbraw/zinc/09/32/00/569093200.db2.gz YGWPQAMCXPSJNJ-LJQANCHMSA-N 0 0 414.527 2.832 50 0 HFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2oc1=O ZINC000064818871 569101640 /nfs/dbraw/zinc/10/16/40/569101640.db2.gz SJZVFCRLQHLXPM-UHFFFAOYSA-N 0 0 418.471 2.965 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2C[C@@H]1C ZINC000036159963 569102835 /nfs/dbraw/zinc/10/28/35/569102835.db2.gz TYOXUVHTQVPWAB-INIZCTEOSA-N 0 0 405.564 2.623 50 0 HFAARN Cc1ccc(C(=O)N2CCC(N3CCN(Cc4ccccc4)C(=O)C3=O)CC2)cc1C ZINC000064835378 569104374 /nfs/dbraw/zinc/10/43/74/569104374.db2.gz VBBCXNPVEGTVQK-UHFFFAOYSA-N 0 0 419.525 2.779 50 0 HFAARN CC(C)Oc1ccc(CNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)cc1 ZINC000064839374 569105273 /nfs/dbraw/zinc/10/52/73/569105273.db2.gz KPVYPXIGTLADFG-UHFFFAOYSA-N 0 0 404.470 2.992 50 0 HFAARN COc1ccccc1CCNC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839668 569105330 /nfs/dbraw/zinc/10/53/30/569105330.db2.gz YFMJXYWIPDUTGI-HNNXBMFYSA-N 0 0 404.470 2.817 50 0 HFAARN COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 ZINC000006739036 569105759 /nfs/dbraw/zinc/10/57/59/569105759.db2.gz ZEGLGUWCOBOBBI-IRXDYDNUSA-N 0 0 417.512 2.628 50 0 HFAARN NC(=O)Cn1c2c3ccccc3sc2c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000006739267 569105876 /nfs/dbraw/zinc/10/58/76/569105876.db2.gz MXOFZVPSGJMAJP-UHFFFAOYSA-N 0 0 403.822 2.645 50 0 HFAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(-c2ccccc2)n1 ZINC000064841252 569106165 /nfs/dbraw/zinc/10/61/65/569106165.db2.gz YWJVESKXJVAZME-UHFFFAOYSA-N 0 0 414.487 2.867 50 0 HFAARN Cc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000064838512 569106315 /nfs/dbraw/zinc/10/63/15/569106315.db2.gz AYOMEQJZMOQFBC-UHFFFAOYSA-N 0 0 402.516 2.747 50 0 HFAARN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)no2)c1 ZINC000064841426 569106382 /nfs/dbraw/zinc/10/63/82/569106382.db2.gz JXUCKFOCSFYGHJ-UHFFFAOYSA-N 0 0 415.471 2.679 50 0 HFAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCCCOC(C)C)c2=O ZINC000064842106 569106927 /nfs/dbraw/zinc/10/69/27/569106927.db2.gz DBORVOZFOFRSLL-UHFFFAOYSA-N 0 0 418.881 2.945 50 0 HFAARN COc1cccc(-c2nn(CC(=O)NCCc3ccccc3)c(=O)c3noc(C)c32)c1 ZINC000064842384 569106968 /nfs/dbraw/zinc/10/69/68/569106968.db2.gz DUGJSXPDHOWCDW-UHFFFAOYSA-N 0 0 418.453 2.727 50 0 HFAARN CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 ZINC000006749061 569108898 /nfs/dbraw/zinc/10/88/98/569108898.db2.gz TWCHRVUWBWYLMQ-UHFFFAOYSA-N 0 0 401.470 2.659 50 0 HFAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCCC2)s1 ZINC000006751863 569110605 /nfs/dbraw/zinc/11/06/05/569110605.db2.gz RLWYLRRKAKCREH-UHFFFAOYSA-N 0 0 400.547 2.678 50 0 HFAARN CC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1 ZINC000036209759 569110828 /nfs/dbraw/zinc/11/08/28/569110828.db2.gz HCDMXZFJLIGPMZ-IBGZPJMESA-N 0 0 405.926 2.709 50 0 HFAARN Cc1ccc(C(=O)N[C@H](C(=O)NC2CC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036213242 569112527 /nfs/dbraw/zinc/11/25/27/569112527.db2.gz HGYPCBZVRFZWRT-QFIPXVFZSA-N 0 0 419.525 2.924 50 0 HFAARN CCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211166 569112557 /nfs/dbraw/zinc/11/25/57/569112557.db2.gz CZIGZDJERDDTCR-NRFANRHFSA-N 0 0 417.550 2.605 50 0 HFAARN Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)NC1CCCC1 ZINC000006758648 569113120 /nfs/dbraw/zinc/11/31/20/569113120.db2.gz WFENPNRKRAQYRZ-UHFFFAOYSA-N 0 0 404.517 2.998 50 0 HFAARN O=C(CCn1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O)N1CCCCC1 ZINC000006758918 569113134 /nfs/dbraw/zinc/11/31/34/569113134.db2.gz XPNWOFCOFWSBRO-UHFFFAOYSA-N 0 0 415.490 2.815 50 0 HFAARN O=C(NCCc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006764306 569114368 /nfs/dbraw/zinc/11/43/68/569114368.db2.gz CWTLGHAXBVILDE-UHFFFAOYSA-N 0 0 408.470 2.724 50 0 HFAARN CC(C)NC(=O)N(Cc1cc(Cl)ccc1OS(C)(=O)=O)C[C@@H]1CCCO1 ZINC000006765861 569114732 /nfs/dbraw/zinc/11/47/32/569114732.db2.gz GPUSQKLASSYFFJ-HNNXBMFYSA-N 0 0 404.916 2.777 50 0 HFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1 ZINC000064888918 569115581 /nfs/dbraw/zinc/11/55/81/569115581.db2.gz XQRBUEWAPALELR-UHFFFAOYSA-N 0 0 404.536 2.660 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccccc1C ZINC000064889390 569115751 /nfs/dbraw/zinc/11/57/51/569115751.db2.gz BDTAYUNASLFULS-UHFFFAOYSA-N 0 0 415.519 2.799 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1cccc(C)c1 ZINC000064889422 569115770 /nfs/dbraw/zinc/11/57/70/569115770.db2.gz XAOGENYGACMHJP-UHFFFAOYSA-N 0 0 415.519 2.799 50 0 HFAARN Cc1ccc(NC(=O)CCn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)nc1 ZINC000064891870 569117706 /nfs/dbraw/zinc/11/77/06/569117706.db2.gz ONDWYZNTBHMUSK-UHFFFAOYSA-N 0 0 405.458 2.845 50 0 HFAARN CCCN(C)C(=O)Cn1c2cc(Cl)ccc2c(=O)n(-c2ccccc2F)c1=O ZINC000006776714 569118724 /nfs/dbraw/zinc/11/87/24/569118724.db2.gz WHAXFQFEHPOCTH-UHFFFAOYSA-N 0 0 403.841 2.813 50 0 HFAARN O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000036254783 569120052 /nfs/dbraw/zinc/12/00/52/569120052.db2.gz AFZAGMGYAYGVOV-NRFANRHFSA-N 0 0 401.526 2.945 50 0 HFAARN O=C(Nc1ccnn1C1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006786555 569121345 /nfs/dbraw/zinc/12/13/45/569121345.db2.gz PDOJRCHFOFYWIM-UHFFFAOYSA-N 0 0 418.519 2.662 50 0 HFAARN Cc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000006787517 569122075 /nfs/dbraw/zinc/12/20/75/569122075.db2.gz SHDCQHXIOLRGIQ-SFHVURJKSA-N 0 0 419.547 2.795 50 0 HFAARN Cc1ccc(C)c(OCn2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)n2)c1 ZINC000006787963 569122252 /nfs/dbraw/zinc/12/22/52/569122252.db2.gz GSHAAIFUFCLZNQ-SFHVURJKSA-N 0 0 414.359 2.957 50 0 HFAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)NCc2ccccc2C)n1C ZINC000064922910 569122468 /nfs/dbraw/zinc/12/24/68/569122468.db2.gz CESXAFSCMDFVSI-UHFFFAOYSA-N 0 0 403.548 2.993 50 0 HFAARN Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000064924954 569122695 /nfs/dbraw/zinc/12/26/95/569122695.db2.gz QQTBCCVRVWCGPV-UHFFFAOYSA-N 0 0 424.480 2.826 50 0 HFAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCc1cccnc1 ZINC000064924648 569122718 /nfs/dbraw/zinc/12/27/18/569122718.db2.gz XDVWKQSWADWTBX-UHFFFAOYSA-N 0 0 419.533 2.913 50 0 HFAARN CCn1c2ccccc2nc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)c1=O ZINC000064926236 569123052 /nfs/dbraw/zinc/12/30/52/569123052.db2.gz RBWKNYUCZCHBMX-UHFFFAOYSA-N 0 0 405.502 2.757 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2ccccc2o1 ZINC000006789967 569123673 /nfs/dbraw/zinc/12/36/73/569123673.db2.gz JPLGSMPTFZYXPP-MRXNPFEDSA-N 0 0 401.488 2.878 50 0 HFAARN C[C@H](CNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)c1ccccc1 ZINC000006798681 569125845 /nfs/dbraw/zinc/12/58/45/569125845.db2.gz VGYUWHVGTIVHIH-WBVHZDCISA-N 0 0 413.547 2.801 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)ncn3n2)cc1 ZINC000006798569 569126584 /nfs/dbraw/zinc/12/65/84/569126584.db2.gz GDPSXBVSKUJPJU-HDMKZQKVSA-N 0 0 409.490 2.508 50 0 HFAARN Cc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000064943351 569127607 /nfs/dbraw/zinc/12/76/07/569127607.db2.gz UTQYZELKRDIYQZ-UHFFFAOYSA-N 0 0 417.874 2.677 50 0 HFAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1ccccc1F ZINC000064943117 569127674 /nfs/dbraw/zinc/12/76/74/569127674.db2.gz JLKGJBGQVCVGQU-UHFFFAOYSA-N 0 0 421.837 2.507 50 0 HFAARN CCc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)c1 ZINC000064943426 569127811 /nfs/dbraw/zinc/12/78/11/569127811.db2.gz RFRVQQOMLVVLMD-UHFFFAOYSA-N 0 0 411.483 2.586 50 0 HFAARN O=c1n(Cc2ccc(Cl)cc2)nc2n1c1ccsc1c(=O)n2C[C@H]1CCCO1 ZINC000064946665 569128307 /nfs/dbraw/zinc/12/83/07/569128307.db2.gz YYWVSEDFZFIZAI-CQSZACIVSA-N 0 0 416.890 2.753 50 0 HFAARN Cc1nc(Cn2c3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3oc2=O)no1 ZINC000064946847 569128495 /nfs/dbraw/zinc/12/84/95/569128495.db2.gz IEDOCGOBOJOJGO-UHFFFAOYSA-N 0 0 414.443 2.752 50 0 HFAARN Cc1nc(Cn2c3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3oc2=O)no1 ZINC000064946846 569128516 /nfs/dbraw/zinc/12/85/16/569128516.db2.gz JASCZBZTXGUTEG-UHFFFAOYSA-N 0 0 414.443 2.752 50 0 HFAARN Cc1nc(Cn2c3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3oc2=O)no1 ZINC000064947127 569129147 /nfs/dbraw/zinc/12/91/47/569129147.db2.gz RDEMGCVVKDGSGI-UHFFFAOYSA-N 0 0 414.443 2.752 50 0 HFAARN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1CNC(=O)C1CCCC1 ZINC000006802171 569129812 /nfs/dbraw/zinc/12/98/12/569129812.db2.gz ITCWQVAXWLWBPK-QGZVFWFLSA-N 0 0 405.564 2.804 50 0 HFAARN Cc1cccc(NC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)n1 ZINC000006802967 569129833 /nfs/dbraw/zinc/12/98/33/569129833.db2.gz XJWDIWNVUVJMGT-UHFFFAOYSA-N 0 0 405.458 2.794 50 0 HFAARN COc1cccc(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)c1OC ZINC000006806637 569131142 /nfs/dbraw/zinc/13/11/42/569131142.db2.gz UJAIYEQVINACGT-QHCPKHFHSA-N 0 0 403.438 2.697 50 0 HFAARN CCC(=O)N1CCN([C@H](C(=O)Nc2cc(OC)cc(OC)c2)C2CCCC2)CC1 ZINC000036311670 569133314 /nfs/dbraw/zinc/13/33/14/569133314.db2.gz BRARGPIRIWUGGT-NRFANRHFSA-N 0 0 403.523 2.755 50 0 HFAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c1 ZINC000064957581 569133966 /nfs/dbraw/zinc/13/39/66/569133966.db2.gz CGPAIFCDZLAFRX-UHFFFAOYSA-N 0 0 406.508 2.512 50 0 HFAARN Cc1ccsc1CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000006810259 569134173 /nfs/dbraw/zinc/13/41/73/569134173.db2.gz LGGVSTMPGFGOHS-HNNXBMFYSA-N 0 0 417.508 2.992 50 0 HFAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000064958305 569134977 /nfs/dbraw/zinc/13/49/77/569134977.db2.gz NADYLQNMPPHTDE-INIZCTEOSA-N 0 0 420.535 2.820 50 0 HFAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cn2C)c1 ZINC000064964094 569137148 /nfs/dbraw/zinc/13/71/48/569137148.db2.gz MXPNHAVMAMCNCM-UHFFFAOYSA-N 0 0 421.519 2.859 50 0 HFAARN COc1ccc(-c2nnc3sc(NC(=O)COc4ccccc4)nn32)cc1OC ZINC000006818216 569138195 /nfs/dbraw/zinc/13/81/95/569138195.db2.gz CBNAYEXTHBNHFA-UHFFFAOYSA-N 0 0 411.443 2.888 50 0 HFAARN CC[C@@H](C(=O)NCc1cccnc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970815 569138794 /nfs/dbraw/zinc/13/87/94/569138794.db2.gz CCYPCZAAUQFBCF-IBGZPJMESA-N 0 0 416.485 2.862 50 0 HFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cn2C)C1 ZINC000006819231 569139215 /nfs/dbraw/zinc/13/92/15/569139215.db2.gz DVHJYLVFQVFAPM-HZPDHXFCSA-N 0 0 401.532 2.895 50 0 HFAARN CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)NC(C)C)c3ccccc32)cc1 ZINC000064971654 569139589 /nfs/dbraw/zinc/13/95/89/569139589.db2.gz LQAWHAZAXTVIMY-UHFFFAOYSA-N 0 0 410.474 2.995 50 0 HFAARN CCCCOC[C@@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1 ZINC000036340449 569141618 /nfs/dbraw/zinc/14/16/18/569141618.db2.gz HBKHCYAPFAYTGQ-QFIPXVFZSA-N 0 0 412.578 2.984 50 0 HFAARN CCN(C)S(=O)(=O)c1cc2c(cc1N1CCOCC1)Oc1ccccc1NC2=O ZINC000064986641 569144859 /nfs/dbraw/zinc/14/48/59/569144859.db2.gz HRQJXCDCQABAGG-UHFFFAOYSA-N 0 0 417.487 2.522 50 0 HFAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000064990791 569146535 /nfs/dbraw/zinc/14/65/35/569146535.db2.gz KQCOEZPPLRICIM-FQEVSTJZSA-N 0 0 409.486 2.876 50 0 HFAARN COc1ccc(OCC(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064990979 569146648 /nfs/dbraw/zinc/14/66/48/569146648.db2.gz NELJMQZGFRETTM-UHFFFAOYSA-N 0 0 416.434 2.633 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000064988722 569147091 /nfs/dbraw/zinc/14/70/91/569147091.db2.gz NDRFWMFMNUUAAR-IBGZPJMESA-N 0 0 417.487 2.509 50 0 HFAARN O=C(Cc1noc(C(=O)NCc2ccccn2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000036353104 569147538 /nfs/dbraw/zinc/14/75/38/569147538.db2.gz PXVXQOCSXIGGTC-UHFFFAOYSA-N 0 0 405.336 2.595 50 0 HFAARN O=C(Cc1ccc2c(c1)OCCCO2)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000036353223 569147662 /nfs/dbraw/zinc/14/76/62/569147662.db2.gz HTQXTFWEIFKHQS-UHFFFAOYSA-N 0 0 419.481 2.856 50 0 HFAARN Cc1cc(OCC(=O)N2CCN(Cc3ccncc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000036354286 569148070 /nfs/dbraw/zinc/14/80/70/569148070.db2.gz GKBHPUXPGYYFDZ-UHFFFAOYSA-N 0 0 407.470 2.528 50 0 HFAARN O=C(Nc1ccc(F)cc1F)c1nnc(CNS(=O)(=O)c2ccccc2)s1 ZINC000064991805 569148174 /nfs/dbraw/zinc/14/81/74/569148174.db2.gz SWZAZRAOLDAOAF-UHFFFAOYSA-N 0 0 410.427 2.547 50 0 HFAARN Cc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000064991588 569149044 /nfs/dbraw/zinc/14/90/44/569149044.db2.gz RWZPZVZQJVBNQM-UHFFFAOYSA-N 0 0 402.501 2.886 50 0 HFAARN O=C(Nc1ccccc1F)c1nnc(CNS(=O)(=O)c2ccc(F)cc2)s1 ZINC000064991745 569149063 /nfs/dbraw/zinc/14/90/63/569149063.db2.gz OXWBYBYEUQIVSQ-UHFFFAOYSA-N 0 0 410.427 2.547 50 0 HFAARN O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000036358502 569149778 /nfs/dbraw/zinc/14/97/78/569149778.db2.gz APKBHTPOGMYHPH-UHFFFAOYSA-N 0 0 408.527 2.501 50 0 HFAARN COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000036359065 569150383 /nfs/dbraw/zinc/15/03/83/569150383.db2.gz LUPPPMZHWWPLML-ZDUSSCGKSA-N 0 0 408.414 2.528 50 0 HFAARN COCCN(Cc1ccco1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006841190 569151853 /nfs/dbraw/zinc/15/18/53/569151853.db2.gz FXDRAWLUSAXKAW-UHFFFAOYSA-N 0 0 401.488 2.985 50 0 HFAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)N2 ZINC000036366725 569152649 /nfs/dbraw/zinc/15/26/49/569152649.db2.gz LWJOEKICDMTAMY-GFCCVEGCSA-N 0 0 423.864 2.938 50 0 HFAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)N2 ZINC000036366727 569152658 /nfs/dbraw/zinc/15/26/58/569152658.db2.gz LWJOEKICDMTAMY-LBPRGKRZSA-N 0 0 423.864 2.938 50 0 HFAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c2cc(C)ccc2O1 ZINC000006846924 569153878 /nfs/dbraw/zinc/15/38/78/569153878.db2.gz NHEQLIQJSAWSQY-SFHVURJKSA-N 0 0 401.507 2.663 50 0 HFAARN CS(=O)(=O)Nc1ccc(C2(C(=O)N3CCC4(CC3)OCCO4)CCCCC2)cc1 ZINC000065029476 569156756 /nfs/dbraw/zinc/15/67/56/569156756.db2.gz SHCUXTBEMRDWBJ-UHFFFAOYSA-N 0 0 422.547 2.626 50 0 biogenic HFAARN COC(=O)c1cc(OCC(=O)NC2CCCCC2)c2cc(OC)c(OC)cc2n1 ZINC000065033437 569157765 /nfs/dbraw/zinc/15/77/65/569157765.db2.gz USTIYSWTABSXSM-UHFFFAOYSA-N 0 0 402.447 2.866 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(n3cnc4ccc(F)cc4c3=O)CC2)cc1 ZINC000065034592 569158262 /nfs/dbraw/zinc/15/82/62/569158262.db2.gz PUSZRCBSTUOEGN-UHFFFAOYSA-N 0 0 417.462 2.570 50 0 HFAARN Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c1 ZINC000006868701 569159509 /nfs/dbraw/zinc/15/95/09/569159509.db2.gz AMDDIMMYHQCWGJ-UHFFFAOYSA-N 0 0 416.474 2.655 50 0 HFAARN CC1CCN(C(=O)Cn2cc(SCC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000006867484 569159935 /nfs/dbraw/zinc/15/99/35/569159935.db2.gz HOXKQWBVHFUSQF-UHFFFAOYSA-N 0 0 415.559 2.851 50 0 HFAARN Cc1c2cc(Br)ccc2oc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000036389533 569161054 /nfs/dbraw/zinc/16/10/54/569161054.db2.gz PKATYFBJUIHBAI-UHFFFAOYSA-N 0 0 420.307 2.540 50 0 HFAARN Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cc(F)ccc3F)C3=C2C(=O)OC3)cc1 ZINC000169757957 569161294 /nfs/dbraw/zinc/16/12/94/569161294.db2.gz ZVQUTKQIRGPLIG-IBGZPJMESA-N 0 0 413.380 2.789 50 0 HFAARN Cc1ccc([C@H]2NC(=O)N(CC(=O)N(C)c3cccc(C)c3)C3=C2C(=O)OC3)cc1 ZINC000169757974 569161458 /nfs/dbraw/zinc/16/14/58/569161458.db2.gz QSVADMFHWQLGQO-OAQYLSRUSA-N 0 0 405.454 2.844 50 0 HFAARN CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000169758539 569161676 /nfs/dbraw/zinc/16/16/76/569161676.db2.gz IQEZHDATBVKAQC-HXUWFJFHSA-N 0 0 410.518 2.779 50 0 HFAARN CS(=O)(=O)CC[C@H](C(=O)Nc1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC000006875108 569162073 /nfs/dbraw/zinc/16/20/73/569162073.db2.gz VWIFIQOIXMOKJW-QGZVFWFLSA-N 0 0 406.891 2.738 50 0 HFAARN Cc1ccc(C2=NO[C@H](C(=O)NCC(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000006874129 569162574 /nfs/dbraw/zinc/16/25/74/569162574.db2.gz HPNYOFUFSLDSEO-SFHVURJKSA-N 0 0 419.403 2.939 50 0 HFAARN COc1ccc(CNC(=O)[C@@]2(C)CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000065059212 569164451 /nfs/dbraw/zinc/16/44/51/569164451.db2.gz ZIXOHLPLUMKWBR-NRFANRHFSA-N 0 0 420.506 2.942 50 0 HFAARN CC(C)OCCCNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061838 569165951 /nfs/dbraw/zinc/16/59/51/569165951.db2.gz GERWHGDRYHHOFD-HNNXBMFYSA-N 0 0 402.582 2.716 50 0 HFAARN O=C1c2ccc(N3CCCC3)cc2N(CN2CCN(Cc3ccsc3)CC2)C1=O ZINC000036391095 569166148 /nfs/dbraw/zinc/16/61/48/569166148.db2.gz UATMRVUIKDVSDW-UHFFFAOYSA-N 0 0 410.543 2.653 50 0 HFAARN O=C(Nc1ccc(-n2cccc(C(=O)NC[C@H]3CCCO3)c2=O)cc1)c1ccccc1 ZINC000065062662 569166458 /nfs/dbraw/zinc/16/64/58/569166458.db2.gz OADAGBUUXQEGQG-HXUWFJFHSA-N 0 0 417.465 2.999 50 0 HFAARN O=C(CNC(=O)c1ccc(Br)o1)NCCOc1cccc(Cl)c1 ZINC000036391427 569166536 /nfs/dbraw/zinc/16/65/36/569166536.db2.gz LNAKELJLBKJYIM-UHFFFAOYSA-N 0 0 401.644 2.621 50 0 HFAARN CC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000065062365 569166625 /nfs/dbraw/zinc/16/66/25/569166625.db2.gz AKUSPPYZWUNMLE-UHFFFAOYSA-N 0 0 409.371 2.826 50 0 HFAARN COC(=O)c1cccc(S(=O)(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)c1 ZINC000036390934 569166631 /nfs/dbraw/zinc/16/66/31/569166631.db2.gz ZQXBXWGJDDVVCE-UHFFFAOYSA-N 0 0 416.407 2.858 50 0 HFAARN O=C(Cc1cccs1)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000169770467 569167537 /nfs/dbraw/zinc/16/75/37/569167537.db2.gz GGJXTNRIPWRRBR-UHFFFAOYSA-N 0 0 400.479 2.769 50 0 HFAARN O=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000036394934 569168604 /nfs/dbraw/zinc/16/86/04/569168604.db2.gz KOQDHDAUSXRRMV-OAHLLOKOSA-N 0 0 424.284 2.737 50 0 HFAARN NC(=O)[C@H]1CC(C(=O)Nc2ccccc2OCC(F)(F)F)=NN1c1ccccc1 ZINC000036395944 569168900 /nfs/dbraw/zinc/16/89/00/569168900.db2.gz FPOWPMQHTYPGHS-OAHLLOKOSA-N 0 0 406.364 2.686 50 0 HFAARN O=C(CCn1nnc2cc(-c3noc(C4CCCCC4)n3)ccc21)N1CCOCC1 ZINC000065076060 569169195 /nfs/dbraw/zinc/16/91/95/569169195.db2.gz SJJVWCKPQWAERC-UHFFFAOYSA-N 0 0 410.478 2.778 50 0 HFAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc4c(c3)OCCO4)sc2c1 ZINC000006886742 569170302 /nfs/dbraw/zinc/17/03/02/569170302.db2.gz IMZVWSZYBYMINV-UHFFFAOYSA-N 0 0 404.469 2.652 50 0 HFAARN Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000036397779 569171030 /nfs/dbraw/zinc/17/10/30/569171030.db2.gz FJMQEZAJTLMNAY-UHFFFAOYSA-N 0 0 408.546 2.823 50 0 HFAARN Cn1ccnc1[C@@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000036397739 569171072 /nfs/dbraw/zinc/17/10/72/569171072.db2.gz MVLWYYCCLWXLEP-QFIPXVFZSA-N 0 0 419.529 2.841 50 0 HFAARN O=C(CN1CCN(C(=O)CCOc2ccccc2)CC1)Nc1ccccc1Cl ZINC000036398805 569171697 /nfs/dbraw/zinc/17/16/97/569171697.db2.gz QEFFMLKMCPQCCN-UHFFFAOYSA-N 0 0 401.894 2.892 50 0 HFAARN CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccsc4)ccn3n2)cc1 ZINC000169775887 569172199 /nfs/dbraw/zinc/17/21/99/569172199.db2.gz KVNSNKJCJSXQHO-UHFFFAOYSA-N 0 0 422.510 2.982 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)cc4)ccn3n2)cc1 ZINC000169775867 569172244 /nfs/dbraw/zinc/17/22/44/569172244.db2.gz BTNVDQCUZZHDCY-UHFFFAOYSA-N 0 0 402.454 2.910 50 0 HFAARN CCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2cc(Cl)ccc2OC)n1 ZINC000169776166 569172676 /nfs/dbraw/zinc/17/26/76/569172676.db2.gz QRKAOSIXGBUIQC-UHFFFAOYSA-N 0 0 412.837 2.934 50 0 HFAARN COc1cccc(CNC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)c1OC ZINC000169778356 569173493 /nfs/dbraw/zinc/17/34/93/569173493.db2.gz UTWIPCRWFIBIJH-UHFFFAOYSA-N 0 0 424.501 2.566 50 0 HFAARN COc1ccc(C(=O)N2CCC(n3cc(-c4nc(C5CC5)no4)nn3)CC2)c(C)c1 ZINC000169777439 569173846 /nfs/dbraw/zinc/17/38/46/569173846.db2.gz DPFOOIJVQJPNSM-UHFFFAOYSA-N 0 0 408.462 3.000 50 0 HFAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1 ZINC000065098778 569176882 /nfs/dbraw/zinc/17/68/82/569176882.db2.gz RXRZCDSEBBJNCG-CQSZACIVSA-N 0 0 424.548 2.987 50 0 HFAARN O=C(c1nnc(-c2csc(S(=O)(=O)NC3CCCC3)c2)o1)N1CCCCC1 ZINC000065098917 569176904 /nfs/dbraw/zinc/17/69/04/569176904.db2.gz YUOABKLOGGNTPS-UHFFFAOYSA-N 0 0 410.521 2.645 50 0 HFAARN COc1ccc(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1 ZINC000065115135 569179203 /nfs/dbraw/zinc/17/92/03/569179203.db2.gz ZSIHMXUKEHPKOV-UHFFFAOYSA-N 0 0 415.471 2.551 50 0 HFAARN O=C(c1noc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc21)N1CCCC1 ZINC000065115147 569179222 /nfs/dbraw/zinc/17/92/22/569179222.db2.gz JBJLMLZAXMAZNL-UHFFFAOYSA-N 0 0 411.483 2.811 50 0 HFAARN C[C@H](CNC(=O)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1)c1ccccc1 ZINC000065117531 569180317 /nfs/dbraw/zinc/18/03/17/569180317.db2.gz VYQOBBOAMMUPDH-CQSZACIVSA-N 0 0 417.462 2.759 50 0 HFAARN Cn1nccc1-c1csc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000065112371 569180641 /nfs/dbraw/zinc/18/06/41/569180641.db2.gz ZWQCVYWQGXJLAR-UHFFFAOYSA-N 0 0 406.508 2.799 50 0 HFAARN COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccco3)c2c1=O ZINC000065113571 569180840 /nfs/dbraw/zinc/18/08/40/569180840.db2.gz GCSOJVYPSHATAD-UHFFFAOYSA-N 0 0 420.469 2.811 50 0 HFAARN C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006916641 569181124 /nfs/dbraw/zinc/18/11/24/569181124.db2.gz GHRJWEXKAVLTKG-SNVBAGLBSA-N 0 0 407.220 2.799 50 0 HFAARN COc1cccc(CNC(=O)c2nsc(C(=O)NCc3ccc(F)cc3)c2N)c1 ZINC000065118361 569182014 /nfs/dbraw/zinc/18/20/14/569182014.db2.gz VTDDTGGXBOWCHH-UHFFFAOYSA-N 0 0 414.462 2.733 50 0 HFAARN COCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000065130747 569182386 /nfs/dbraw/zinc/18/23/86/569182386.db2.gz KIHPTCHXWUITKF-UHFFFAOYSA-N 0 0 407.474 2.778 50 0 HFAARN Cc1nc(-c2cc(S(=O)(=O)NC3CC3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137502 569183629 /nfs/dbraw/zinc/18/36/29/569183629.db2.gz DGFKOUFYJHDUMC-UHFFFAOYSA-N 0 0 408.549 2.524 50 0 HFAARN CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006931302 569184384 /nfs/dbraw/zinc/18/43/84/569184384.db2.gz WHIIZSDNYYACDN-UHFFFAOYSA-N 0 0 401.488 2.577 50 0 HFAARN CCn1c(CSc2nnc(C)n2C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006934706 569184875 /nfs/dbraw/zinc/18/48/75/569184875.db2.gz UCESSHIGSQHNET-UHFFFAOYSA-N 0 0 420.564 2.834 50 0 HFAARN COc1ccc(C)cc1NC(=O)Cn1nc2c(Oc3ccccc3C)nccn2c1=O ZINC000065150783 569185943 /nfs/dbraw/zinc/18/59/43/569185943.db2.gz RAEXWXFQRLVEGD-UHFFFAOYSA-N 0 0 419.441 2.947 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1 ZINC000065150814 569185964 /nfs/dbraw/zinc/18/59/64/569185964.db2.gz GDGSKXRRKLFRJD-UHFFFAOYSA-N 0 0 419.441 2.947 50 0 HFAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCc1cccs1)nc2C ZINC000006943741 569186912 /nfs/dbraw/zinc/18/69/12/569186912.db2.gz SRIJFCIIUHGMEJ-UHFFFAOYSA-N 0 0 407.499 2.619 50 0 HFAARN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000006946139 569187342 /nfs/dbraw/zinc/18/73/42/569187342.db2.gz MINLFNMSEHXPCM-INIZCTEOSA-N 0 0 407.422 2.967 50 0 HFAARN CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006950005 569189244 /nfs/dbraw/zinc/18/92/44/569189244.db2.gz QLJUVFDXXDIDRZ-UHFFFAOYSA-N 0 0 416.971 2.968 50 0 HFAARN NC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2Oc2ccc(F)cc2)CCO1 ZINC000065174790 569190210 /nfs/dbraw/zinc/19/02/10/569190210.db2.gz OTYHMJGKFSNEME-INIZCTEOSA-N 0 0 423.238 2.707 50 0 HFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)c1ccc(F)c(F)c1 ZINC000006977032 569192460 /nfs/dbraw/zinc/19/24/60/569192460.db2.gz FGHPHSMCLXQJNV-UHFFFAOYSA-N 0 0 411.455 2.957 50 0 HFAARN COc1ccccc1NC(=O)Cn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O ZINC000065197524 569193006 /nfs/dbraw/zinc/19/30/06/569193006.db2.gz DYRHDTKBJYXBDA-UHFFFAOYSA-N 0 0 421.388 2.747 50 0 HFAARN Cc1ccc(CNC(=O)Cn2nc(-c3nc(-c4ccccc4)no3)ccc2=O)cc1 ZINC000065197646 569193117 /nfs/dbraw/zinc/19/31/17/569193117.db2.gz OTHBTFSSWSPIAO-UHFFFAOYSA-N 0 0 401.426 2.585 50 0 HFAARN COc1ccccc1N1CCN(C(=O)c2csc(C(=O)NC3CCCC3)n2)CC1 ZINC000065199817 569193562 /nfs/dbraw/zinc/19/35/62/569193562.db2.gz BVCHRAOMHURNRV-UHFFFAOYSA-N 0 0 414.531 2.787 50 0 HFAARN COc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1 ZINC000065195287 569194101 /nfs/dbraw/zinc/19/41/01/569194101.db2.gz NRPBOMPZOKOGCJ-DNVCBOLYSA-N 0 0 421.497 2.835 50 0 HFAARN COc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1 ZINC000065195288 569194114 /nfs/dbraw/zinc/19/41/14/569194114.db2.gz NRPBOMPZOKOGCJ-KXBFYZLASA-N 0 0 421.497 2.835 50 0 HFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)Nc4ccc(OC)cc4)CC3=O)ccc21 ZINC000065195325 569194115 /nfs/dbraw/zinc/19/41/15/569194115.db2.gz FYJDYPIIGHURPI-INIZCTEOSA-N 0 0 407.470 2.986 50 0 HFAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)NCc4ccccc4F)CC3=O)ccc21 ZINC000065195419 569194141 /nfs/dbraw/zinc/19/41/41/569194141.db2.gz HXTRGSOJWFARLZ-KRWDZBQOSA-N 0 0 409.461 2.794 50 0 HFAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)Nc4ccccc4OC)CC3=O)ccc21 ZINC000065195450 569194242 /nfs/dbraw/zinc/19/42/42/569194242.db2.gz RQMMSBZLEXIUMH-MRXNPFEDSA-N 0 0 407.470 2.986 50 0 HFAARN Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195573 569194349 /nfs/dbraw/zinc/19/43/49/569194349.db2.gz PGVCMEFOLFBNRE-FQEVSTJZSA-N 0 0 417.509 2.963 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2nc3cc(C)nc(-c4ccccc4)n3c2=O)cc1 ZINC000065196482 569194685 /nfs/dbraw/zinc/19/46/85/569194685.db2.gz HUBRIFLIWGTNFI-UHFFFAOYSA-N 0 0 401.426 2.708 50 0 HFAARN O=C(CN1N=C(c2nc(-c3cccc(F)c3)no2)CCC1=O)Nc1cccc(F)c1 ZINC000065197190 569195082 /nfs/dbraw/zinc/19/50/82/569195082.db2.gz DXGSDBYAWQZZKL-UHFFFAOYSA-N 0 0 411.368 2.980 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000065202327 569195229 /nfs/dbraw/zinc/19/52/29/569195229.db2.gz LQYUCFDLTVAGBD-UHFFFAOYSA-N 0 0 401.426 2.784 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCC2 ZINC000006984251 569195766 /nfs/dbraw/zinc/19/57/66/569195766.db2.gz AMLMCXQWNKQGNJ-HNNXBMFYSA-N 0 0 407.561 2.682 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000065212584 569197325 /nfs/dbraw/zinc/19/73/25/569197325.db2.gz TVBZNAWYSQEVSE-UHFFFAOYSA-N 0 0 411.483 2.905 50 0 HFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc(-c2nnco2)cc1 ZINC000007006339 569199348 /nfs/dbraw/zinc/19/93/48/569199348.db2.gz YBHWJROXDSLMFH-UHFFFAOYSA-N 0 0 400.822 2.866 50 0 HFAARN CC(=O)Nc1ncncc1N1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000065226944 569200064 /nfs/dbraw/zinc/20/00/64/569200064.db2.gz UIPGPOFUOXLVBW-UHFFFAOYSA-N 0 0 421.423 2.987 50 0 HFAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F ZINC000036569648 569200840 /nfs/dbraw/zinc/20/08/40/569200840.db2.gz PDDDBRXNJCXHCA-CRAIPNDOSA-N 0 0 406.433 2.933 50 0 HFAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007012933 569201385 /nfs/dbraw/zinc/20/13/85/569201385.db2.gz ZQXRMSZHZLFYSN-UHFFFAOYSA-N 0 0 412.490 2.739 50 0 HFAARN COc1cc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)cc(OC)c1OC ZINC000036597378 569201546 /nfs/dbraw/zinc/20/15/46/569201546.db2.gz UCQOQWYXVZZKTF-OAHLLOKOSA-N 0 0 413.430 2.831 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)CC[C@H]1NC(=O)c3ccccc3NC1=O)CC2 ZINC000036596669 569201579 /nfs/dbraw/zinc/20/15/79/569201579.db2.gz IOQVSVYBVUHHKS-GOSISDBHSA-N 0 0 423.469 2.769 50 0 HFAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCC5)n4)ccn3n2)c(C)c1 ZINC000065235874 569202521 /nfs/dbraw/zinc/20/25/21/569202521.db2.gz IVGXEQKCZJWJMA-UHFFFAOYSA-N 0 0 404.474 2.807 50 0 HFAARN C[C@@H]1CCCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)C1 ZINC000065235929 569202552 /nfs/dbraw/zinc/20/25/52/569202552.db2.gz KOXMAVXXKHOBNA-MRXNPFEDSA-N 0 0 404.474 2.826 50 0 HFAARN O=C(NCc1ccc(Cl)cc1)c1cn(-c2cc(N3CCSCC3)ncn2)cn1 ZINC000065239997 569203629 /nfs/dbraw/zinc/20/36/29/569203629.db2.gz XKDUAOYAVRZNPO-UHFFFAOYSA-N 0 0 414.922 2.799 50 0 HFAARN Cc1ccc(N2CN(CC(=O)NC3CCCC3)S(=O)(=O)c3cccnc32)cc1 ZINC000065240167 569203759 /nfs/dbraw/zinc/20/37/59/569203759.db2.gz UBEVESVXSICPSF-UHFFFAOYSA-N 0 0 400.504 2.549 50 0 HFAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(Cl)cc3)C1)C(=O)N2C ZINC000065249398 569205868 /nfs/dbraw/zinc/20/58/68/569205868.db2.gz IWDYSOVTRUARCH-LJQANCHMSA-N 0 0 406.891 2.657 50 0 biogenic HFAARN COC(=O)[C@H]1CCCN1C(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000036615368 569206947 /nfs/dbraw/zinc/20/69/47/569206947.db2.gz XNCYZNLWQKCRIS-CQSZACIVSA-N 0 0 410.396 2.800 50 0 HFAARN Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000036616591 569207588 /nfs/dbraw/zinc/20/75/88/569207588.db2.gz OWWAOTBWDUBJKY-UHFFFAOYSA-N 0 0 407.455 2.535 50 0 HFAARN Cc1nn(CCCNC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c32)cc1Cl ZINC000036619492 569210706 /nfs/dbraw/zinc/21/07/06/569210706.db2.gz UYNNOJMVJKCBEZ-UHFFFAOYSA-N 0 0 413.869 2.910 50 0 HFAARN COc1cc([C@H](CC(=O)NCCc2ccccn2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524732069 569212606 /nfs/dbraw/zinc/21/26/06/569212606.db2.gz VYEKCJNJMWYYFE-KRWDZBQOSA-N 0 0 424.453 2.644 50 0 biogenic HFAARN Cn1cc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cn1 ZINC000524733350 569212951 /nfs/dbraw/zinc/21/29/51/569212951.db2.gz JWDNCMUWFLROJS-HXUWFJFHSA-N 0 0 401.426 2.564 50 0 HFAARN O=C(C1CCC1)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CCCCC2)CC3)CC1 ZINC000065273812 569214700 /nfs/dbraw/zinc/21/47/00/569214700.db2.gz YAVXAEFONKRKRD-QGZVFWFLSA-N 0 0 416.591 2.709 50 0 HFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CCCCCC2)CC3)CC1 ZINC000065273796 569214739 /nfs/dbraw/zinc/21/47/39/569214739.db2.gz DEWQVLBRRBGISR-QGZVFWFLSA-N 0 0 418.607 2.955 50 0 HFAARN CCNc1cc(N2CCC(CCC(=O)N3CCC(C(=O)OCC)CC3)CC2)ncn1 ZINC000065274262 569215125 /nfs/dbraw/zinc/21/51/25/569215125.db2.gz ZTDSLWIRLOBQAQ-UHFFFAOYSA-N 0 0 417.554 2.707 50 0 HFAARN O=C(NCc1cccc(F)c1)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272791 569215868 /nfs/dbraw/zinc/21/58/68/569215868.db2.gz JMAXPZIOEYWVOI-HNNXBMFYSA-N 0 0 402.491 2.781 50 0 HFAARN O=C(NCc1cccc(F)c1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272790 569215889 /nfs/dbraw/zinc/21/58/89/569215889.db2.gz JMAXPZIOEYWVOI-OAHLLOKOSA-N 0 0 402.491 2.781 50 0 HFAARN Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272955 569215962 /nfs/dbraw/zinc/21/59/62/569215962.db2.gz QVHSIALVPUWUTI-HNNXBMFYSA-N 0 0 400.548 2.756 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1OC ZINC000065273090 569215997 /nfs/dbraw/zinc/21/59/97/569215997.db2.gz OEZHKFMMBUYQGY-AWEZNQCLSA-N 0 0 402.516 2.888 50 0 HFAARN Cc1scc2nc(C(=O)Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)c12 ZINC000065283276 569216548 /nfs/dbraw/zinc/21/65/48/569216548.db2.gz CHEZLBGSWNGPLC-UHFFFAOYSA-N 0 0 412.471 2.860 50 0 HFAARN CCC(CC)NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000007073272 569217696 /nfs/dbraw/zinc/21/76/96/569217696.db2.gz DEFYHFIYNHBBQB-UHFFFAOYSA-N 0 0 403.552 2.560 50 0 HFAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1)NC1CCCCC1 ZINC000065295461 569218683 /nfs/dbraw/zinc/21/86/83/569218683.db2.gz PGBSDIPWUPRYNY-UHFFFAOYSA-N 0 0 419.533 2.602 50 0 HFAARN O=C(Cn1ncc2c1ncnc2N1CCCCCC1)N1CCN(c2ccccc2)CC1 ZINC000065295234 569218768 /nfs/dbraw/zinc/21/87/68/569218768.db2.gz ZNGOZOKBFCEKQP-UHFFFAOYSA-N 0 0 419.533 2.556 50 0 HFAARN Cc1cc2nn(CC(=O)NCc3ccccc3)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307874 569219968 /nfs/dbraw/zinc/21/99/68/569219968.db2.gz IPEFRPIULJECHR-UHFFFAOYSA-N 0 0 416.485 2.876 50 0 HFAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 ZINC000007104781 569220041 /nfs/dbraw/zinc/22/00/41/569220041.db2.gz HPGJHGSEEVGRBQ-AWEZNQCLSA-N 0 0 402.524 2.502 50 0 HFAARN Cc1ccc(Nc2ccn3c(nn(CC(=O)Nc4cc(F)cc(F)c4)c3=O)n2)cc1 ZINC000065308093 569220190 /nfs/dbraw/zinc/22/01/90/569220190.db2.gz IWMQVVIIJVSKIM-UHFFFAOYSA-N 0 0 410.384 2.860 50 0 HFAARN O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)c1ccccc1 ZINC000036685863 569220285 /nfs/dbraw/zinc/22/02/85/569220285.db2.gz GOGQEEDITLHNDJ-UHFFFAOYSA-N 0 0 422.466 2.833 50 0 HFAARN 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557550445 /nfs/dbraw/zinc/55/04/45/557550445.db2.gz UZOUIJDBRRQJGW-UHFFFAOYSA-N 0 0 404.514 2.962 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004504092 557561033 /nfs/dbraw/zinc/56/10/33/557561033.db2.gz CSEFCIQHXUMLTM-QPRVAFDKSA-N 0 0 416.543 2.760 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 ZINC000004524219 557563699 /nfs/dbraw/zinc/56/36/99/557563699.db2.gz CYKJKTTXKDPZQA-UHFFFAOYSA-N 0 0 410.426 2.748 50 0 HFAARN COc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc1OC ZINC000004611416 557572223 /nfs/dbraw/zinc/57/22/23/557572223.db2.gz FETGRKAVUQFQII-UHFFFAOYSA-N 0 0 406.486 2.811 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1c(Cl)cccc1Cl ZINC000004655616 557576475 /nfs/dbraw/zinc/57/64/75/557576475.db2.gz KNTBYRLZKNFFCS-CYBMUJFWSA-N 0 0 412.225 2.697 50 0 biogenic,in-vitro HFAARN CCCCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCCOC)cc1OC ZINC000004680214 557580590 /nfs/dbraw/zinc/58/05/90/557580590.db2.gz PZOAPZUZQXZZSX-SFHVURJKSA-N 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/nfs/dbraw/zinc/71/61/21/557716121.db2.gz WCLNXUYJPJOIAB-UHFFFAOYSA-N 0 0 401.488 2.844 50 0 HFAARN CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000006726379 557717658 /nfs/dbraw/zinc/71/76/58/557717658.db2.gz WIVDOOSKDYWCFM-UHFFFAOYSA-N 0 0 403.504 2.796 50 0 HFAARN COC(=O)COc1cccc2c1ccn(CC(=O)N1CCCc3ccccc31)c2=O ZINC000002712364 557745900 /nfs/dbraw/zinc/74/59/00/557745900.db2.gz DKJOHZODBDTQOA-UHFFFAOYSA-N 0 0 406.438 2.533 50 0 HFAARN COc1ccc(OC)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000002723954 557748906 /nfs/dbraw/zinc/74/89/06/557748906.db2.gz CETAWUIIIKZGLB-UHFFFAOYSA-N 0 0 421.500 2.816 50 0 HFAARN CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1 ZINC000002724031 557750053 /nfs/dbraw/zinc/75/00/53/557750053.db2.gz GARJSKTXSMQKFR-UHFFFAOYSA-N 0 0 416.528 2.973 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(OC)c4)ccn3n2)cc1 ZINC000007615960 557752023 /nfs/dbraw/zinc/75/20/23/557752023.db2.gz IMHBZDNHVZAMII-UHFFFAOYSA-N 0 0 404.426 2.819 50 0 HFAARN COc1ccc(CNC(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1OC ZINC000022679309 557762543 /nfs/dbraw/zinc/76/25/43/557762543.db2.gz IZVUTHOOZNXSJG-QGZVFWFLSA-N 0 0 405.520 2.638 50 0 HFAARN COc1ccc(CNC(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1OC ZINC000022679313 557762550 /nfs/dbraw/zinc/76/25/50/557762550.db2.gz IZVUTHOOZNXSJG-KRWDZBQOSA-N 0 0 405.520 2.638 50 0 HFAARN O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc2ncc(Br)cn2n1 ZINC000002793499 557764872 /nfs/dbraw/zinc/76/48/72/557764872.db2.gz JQOSXKOWBDVIKE-UHFFFAOYSA-N 0 0 416.214 2.523 50 0 HFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000002855315 557768563 /nfs/dbraw/zinc/76/85/63/557768563.db2.gz UXIMPTAWCJJGQK-OAHLLOKOSA-N 0 0 421.906 2.768 50 0 biogenic HFAARN Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1Cl ZINC000008218765 557776510 /nfs/dbraw/zinc/77/65/10/557776510.db2.gz ZSCIIBRDGAIXLU-OAHLLOKOSA-N 0 0 415.877 2.579 50 0 HFAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CS(=O)(=O)C3)cc1 ZINC000003009384 557779188 /nfs/dbraw/zinc/77/91/88/557779188.db2.gz NGDVRJQEPKPSMG-UHFFFAOYSA-N 0 0 401.419 2.701 50 0 HFAARN CCOC(=O)N1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697180 557784065 /nfs/dbraw/zinc/78/40/65/557784065.db2.gz BCUGMHMJCIGUMB-FQEVSTJZSA-N 0 0 417.481 2.885 50 0 HFAARN CCOC(=O)N1CCN([C@@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697565 557784320 /nfs/dbraw/zinc/78/43/20/557784320.db2.gz REMCURTZLYVUFF-SFHVURJKSA-N 0 0 405.520 2.807 50 0 HFAARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1OC ZINC000008910867 557813956 /nfs/dbraw/zinc/81/39/56/557813956.db2.gz LYISGXDFSFLVFD-OAHLLOKOSA-N 0 0 410.426 2.731 50 0 HFAARN CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 ZINC000022766662 557814686 /nfs/dbraw/zinc/81/46/86/557814686.db2.gz NVIRHESGVASBAX-IBGZPJMESA-N 0 0 401.532 3.000 50 0 HFAARN CCN1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1 ZINC000022767593 557815257 /nfs/dbraw/zinc/81/52/57/557815257.db2.gz QKMRMNOOSMWUOD-UHFFFAOYSA-N 0 0 411.527 2.638 50 0 HFAARN Cc1ccc(-n2ncc3c2c(=O)n(CC(=O)NCc2ccco2)nc3C2CC2)cc1C ZINC000022768188 557818354 /nfs/dbraw/zinc/81/83/54/557818354.db2.gz QESDXGWZRARTSM-UHFFFAOYSA-N 0 0 417.469 2.986 50 0 HFAARN COc1cc(C)c(CN2CCN(Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1OC ZINC000022783030 557819648 /nfs/dbraw/zinc/81/96/48/557819648.db2.gz XMHQZPMGOBGLSD-UHFFFAOYSA-N 0 0 422.529 2.646 50 0 HFAARN NS(=O)(=O)c1ccc(NC(=O)[C@@H](SC2=NCCS2)c2ccccc2)cc1 ZINC000009026975 557819877 /nfs/dbraw/zinc/81/98/77/557819877.db2.gz JMILVZCEBSAQTL-HNNXBMFYSA-N 0 0 407.542 2.850 50 0 HFAARN Cc1cc(CN2CCN(CC(=O)Nc3ccc(Br)cc3F)CC2)no1 ZINC000022798924 557824538 /nfs/dbraw/zinc/82/45/38/557824538.db2.gz UXFUFLYZKJVPNM-UHFFFAOYSA-N 0 0 411.275 2.641 50 0 HFAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000009238706 557831948 /nfs/dbraw/zinc/83/19/48/557831948.db2.gz HJVCRIZDOKQAHE-MOPGFXCFSA-N 0 0 409.515 2.979 50 0 HFAARN CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1O[C@@H](C)C(=O)NCCO ZINC000009242653 557832315 /nfs/dbraw/zinc/83/23/15/557832315.db2.gz VUQGYUOBAQQVKK-LBPRGKRZSA-N 0 0 416.503 2.652 50 0 HFAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(Br)c1O ZINC000009262485 557833635 /nfs/dbraw/zinc/83/36/35/557833635.db2.gz BQZNGDMQPHAKCK-IZZDOVSWSA-N 0 0 416.249 2.763 50 0 HFAARN CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000009268946 557834071 /nfs/dbraw/zinc/83/40/71/557834071.db2.gz FJKQFIUUNACKFL-GOSISDBHSA-N 0 0 404.488 2.795 50 0 HFAARN COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C ZINC000009303807 557835538 /nfs/dbraw/zinc/83/55/38/557835538.db2.gz XAJMCJNRPNZWGJ-UHFFFAOYSA-N 0 0 420.520 2.602 50 0 HFAARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O ZINC000009322167 557837074 /nfs/dbraw/zinc/83/70/74/557837074.db2.gz XKNDMZNLJWHLHF-LFYBBSHMSA-N 0 0 416.249 2.763 50 0 HFAARN O=C1C[C@@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000022848413 557838494 /nfs/dbraw/zinc/83/84/94/557838494.db2.gz NCCFQGWGAZKFCB-QGZVFWFLSA-N 0 0 407.898 2.990 50 0 HFAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022853717 557840456 /nfs/dbraw/zinc/84/04/56/557840456.db2.gz GTZRFXAMIBYTLU-HNNXBMFYSA-N 0 0 419.938 2.999 50 0 HFAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCCCn2ccnc2)cc1)c1ccccc1 ZINC000009668802 557848046 /nfs/dbraw/zinc/84/80/46/557848046.db2.gz XCWAFUJNHOPLAY-UHFFFAOYSA-N 0 0 412.515 2.669 50 0 HFAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000022906648 557852519 /nfs/dbraw/zinc/85/25/19/557852519.db2.gz VHXXRSIXUBIBAI-HSZRJFAPSA-N 0 0 414.509 2.614 50 0 HFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2cccc(OC)c2)n2nnnc2N3)c1 ZINC000010296795 557858525 /nfs/dbraw/zinc/85/85/25/557858525.db2.gz VGULTEWDDIJIOX-SFHVURJKSA-N 0 0 403.402 2.548 50 0 HFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccccc2)n2nnnc2N3)cc1OC ZINC000010297073 557858779 /nfs/dbraw/zinc/85/87/79/557858779.db2.gz KHXJNKGELTWXPV-GOSISDBHSA-N 0 0 403.402 2.548 50 0 HFAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1OC ZINC000010313211 557859090 /nfs/dbraw/zinc/85/90/90/557859090.db2.gz JJHRZEQENQRULH-UHFFFAOYSA-N 0 0 408.458 2.973 50 0 HFAARN O=C(Nc1ncccn1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000010462438 558258013 /nfs/dbraw/zinc/25/80/13/558258013.db2.gz DPZGNNPTJHRCSA-INIZCTEOSA-N 0 0 401.426 2.721 50 0 HFAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1=O ZINC000010462115 558258042 /nfs/dbraw/zinc/25/80/42/558258042.db2.gz CCOHENXVVRCDJN-QGZVFWFLSA-N 0 0 422.485 2.625 50 0 HFAARN CCn1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nnc1-c1ccncc1 ZINC000010477588 558258249 /nfs/dbraw/zinc/25/82/49/558258249.db2.gz GRLBUGREXRRPPM-UHFFFAOYSA-N 0 0 415.426 2.961 50 0 HFAARN O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000004331060 558262908 /nfs/dbraw/zinc/26/29/08/558262908.db2.gz HHCFEUZEHNNKAM-UHFFFAOYSA-N 0 0 413.890 2.922 50 0 HFAARN CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCCCC1 ZINC000011413604 558263878 /nfs/dbraw/zinc/26/38/78/558263878.db2.gz ZBAGBYLVPRGENI-UHFFFAOYSA-N 0 0 405.499 2.723 50 0 HFAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCC(C)CC1 ZINC000011403571 558263880 /nfs/dbraw/zinc/26/38/80/558263880.db2.gz DTGZLORYCFNIGE-UHFFFAOYSA-N 0 0 419.526 2.718 50 0 HFAARN COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000019745067 558265720 /nfs/dbraw/zinc/26/57/20/558265720.db2.gz DTLBIAJGKWMVLH-SFHVURJKSA-N 0 0 404.507 2.683 50 0 HFAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1 ZINC000004335269 558273110 /nfs/dbraw/zinc/27/31/10/558273110.db2.gz DDCKCUPTJXBJPJ-UHFFFAOYSA-N 0 0 416.474 2.655 50 0 HFAARN CCN(CC)C(=O)Cn1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)nn1 ZINC000011764253 558273650 /nfs/dbraw/zinc/27/36/50/558273650.db2.gz RNCQCZILTAGYPG-INIZCTEOSA-N 0 0 412.519 2.734 50 0 HFAARN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)CCNC(C)=O)cc1 ZINC000011773425 558274603 /nfs/dbraw/zinc/27/46/03/558274603.db2.gz KNBILJWRHGACDZ-NRFANRHFSA-N 0 0 409.486 2.818 50 0 HFAARN CC[C@@H](C)CNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c21 ZINC000011786217 558276273 /nfs/dbraw/zinc/27/62/73/558276273.db2.gz DMTHGMBNVSHWJI-CQSZACIVSA-N 0 0 409.490 2.996 50 0 HFAARN COc1cccc(CN2C[C@H](C(=O)NCCOc3ccccc3F)CCC2=O)c1 ZINC000011816283 558279786 /nfs/dbraw/zinc/27/97/86/558279786.db2.gz SWZRVJJAMKTTMM-QGZVFWFLSA-N 0 0 400.450 2.768 50 0 HFAARN COc1ccc(OC)c(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)c1 ZINC000019773637 558280525 /nfs/dbraw/zinc/28/05/25/558280525.db2.gz CPBBBBYYMKVBLP-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN COc1ccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1OC ZINC000019773737 558280623 /nfs/dbraw/zinc/28/06/23/558280623.db2.gz SFSXXQBABAJQSJ-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN CS(=O)(=O)c1ncc(CN2CCN(C3CCCC3)CC2)n1CC1CCCCC1 ZINC000019774461 558280887 /nfs/dbraw/zinc/28/08/87/558280887.db2.gz RVNWCNRKDGBUKS-UHFFFAOYSA-N 0 0 408.612 2.927 50 0 HFAARN Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)ccc1Br ZINC000010666789 558281079 /nfs/dbraw/zinc/28/10/79/558281079.db2.gz QTDYYXPVFFLBRV-UHFFFAOYSA-N 0 0 415.353 2.781 50 0 HFAARN C[C@@H]1CCO[C@@]2(O1)c1ccccc1N(CN1CCN(c3ccccc3F)CC1)C2=O ZINC000019809023 558286089 /nfs/dbraw/zinc/28/60/89/558286089.db2.gz LBQXLIVUYMIKEB-UZUQRXQVSA-N 0 0 411.477 2.930 50 0 HFAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)CCC(=O)N(C)C)C2 ZINC000011870847 558290154 /nfs/dbraw/zinc/29/01/54/558290154.db2.gz KWAUQIQPFRDCKO-KRWDZBQOSA-N 0 0 424.497 2.737 50 0 HFAARN O=S(=O)(C[C@H]1CSc2ncnc3ncn1c32)c1ccc(Br)cc1 ZINC000019829257 558291419 /nfs/dbraw/zinc/29/14/19/558291419.db2.gz VELGRGGTPUKGPE-SNVBAGLBSA-N 0 0 411.306 2.710 50 0 HFAARN O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl ZINC000019834776 558292383 /nfs/dbraw/zinc/29/23/83/558292383.db2.gz PJMDRZUZWJWLJO-UHFFFAOYSA-N 0 0 400.331 2.984 50 0 HFAARN CCS(=O)(=O)c1ncc(CN(C)CCN2CCCCC2)n1Cc1ccccc1 ZINC000019836828 558293015 /nfs/dbraw/zinc/29/30/15/558293015.db2.gz BJAAWWKYEBIBGO-UHFFFAOYSA-N 0 0 404.580 2.643 50 0 HFAARN COc1ccc(OC)c(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019841024 558293961 /nfs/dbraw/zinc/29/39/61/558293961.db2.gz GNSJGDDYAYURLS-UHFFFAOYSA-N 0 0 415.515 2.947 50 0 HFAARN O=C(NC[C@H]1CCC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)O1)C1CCCCC1 ZINC000011880418 558294669 /nfs/dbraw/zinc/29/46/69/558294669.db2.gz NTHWNUTXPRALDP-GOSISDBHSA-N 0 0 401.507 2.638 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c(OC)c1 ZINC000019857135 558296349 /nfs/dbraw/zinc/29/63/49/558296349.db2.gz QJMHVYAHACOWLK-QGZVFWFLSA-N 0 0 418.515 2.884 50 0 HFAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000019861570 558298176 /nfs/dbraw/zinc/29/81/76/558298176.db2.gz WKGFPUCPLHCBLH-OAQYLSRUSA-N 0 0 420.465 2.679 50 0 HFAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCOCC2)C3=O)c1 ZINC000019890790 558303048 /nfs/dbraw/zinc/30/30/48/558303048.db2.gz QYAOSMVZYQOFCM-HSZRJFAPSA-N 0 0 423.538 2.873 50 0 HFAARN O[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019924806 558307649 /nfs/dbraw/zinc/30/76/49/558307649.db2.gz XMQLESRIPICZMY-MRXNPFEDSA-N 0 0 409.408 2.727 50 0 HFAARN CN(C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)[C@@H]1CCOC1 ZINC000012000893 558308061 /nfs/dbraw/zinc/30/80/61/558308061.db2.gz GXRHGSODNWLWJW-UZLBHIALSA-N 0 0 424.419 2.502 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)CC[C@]1(Cc2ccc(OC)cc2F)CCC(=O)N1)C(=O)OC ZINC000012039125 558312418 /nfs/dbraw/zinc/31/24/18/558312418.db2.gz ALOBEHQVRDUZEP-PRPYNDMISA-N 0 0 422.497 2.510 50 0 HFAARN COc1ccc(OC)c(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)c1 ZINC000019942559 558314110 /nfs/dbraw/zinc/31/41/10/558314110.db2.gz MLYWZXNHOKNDHO-UHFFFAOYSA-N 0 0 405.501 2.743 50 0 HFAARN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(Br)c2)Oc2ccccc21 ZINC000020112120 558336322 /nfs/dbraw/zinc/33/63/22/558336322.db2.gz JMFSJXFRGKRVQX-HNNXBMFYSA-N 0 0 411.277 2.615 50 0 HFAARN CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O ZINC000012158482 558341007 /nfs/dbraw/zinc/34/10/07/558341007.db2.gz YXAWNALQSURKRS-ZHRRBRCNSA-N 0 0 404.482 2.650 50 0 HFAARN CSc1ccc(C[C@@]2(CCC(=O)NCc3cn(C)nc3C)CCC(=O)N2)cc1 ZINC000012158341 558341016 /nfs/dbraw/zinc/34/10/16/558341016.db2.gz VJEILKIMFUOFRU-OAQYLSRUSA-N 0 0 400.548 2.738 50 0 HFAARN COc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C ZINC000020166318 558342910 /nfs/dbraw/zinc/34/29/10/558342910.db2.gz CYRJBFFIKVNUNV-SFHVURJKSA-N 0 0 404.580 2.595 50 0 HFAARN COc1ccc(F)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020210768 558347469 /nfs/dbraw/zinc/34/74/69/558347469.db2.gz PZDUSVDCVSXEHO-AWEZNQCLSA-N 0 0 413.453 2.568 50 0 HFAARN Cc1ccc(CN2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)cc1C ZINC000012191355 558347540 /nfs/dbraw/zinc/34/75/40/558347540.db2.gz WTBMVBFSFJRGEM-UHFFFAOYSA-N 0 0 400.544 2.812 50 0 HFAARN O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020223622 558349066 /nfs/dbraw/zinc/34/90/66/558349066.db2.gz XNQXZWITIISZJA-UHFFFAOYSA-N 0 0 408.907 2.716 50 0 HFAARN CN(Cc1cccs1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000012206500 558353033 /nfs/dbraw/zinc/35/30/33/558353033.db2.gz WAVOXIXPHWDRJB-QGZVFWFLSA-N 0 0 409.577 2.939 50 0 HFAARN COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)cc(OC)c1 ZINC000012209208 558353490 /nfs/dbraw/zinc/35/34/90/558353490.db2.gz AJGKAOHRAUNGAV-KRWDZBQOSA-N 0 0 419.522 2.689 50 0 HFAARN CCOC(=O)C1C(CN2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283970 558353677 /nfs/dbraw/zinc/35/36/77/558353677.db2.gz LKEWSKKVWDIGFR-QFIPXVFZSA-N 0 0 420.513 2.680 50 0 HFAARN CCN1CCN(C2(C(=O)NCCc3cccc(OC)c3)Cc3ccccc3C2)CC1 ZINC000020321400 558355306 /nfs/dbraw/zinc/35/53/06/558355306.db2.gz RSUCWQKQCJKFBS-UHFFFAOYSA-N 0 0 407.558 2.529 50 0 HFAARN CCS(=O)(=O)c1ncc(CN2CCC[C@H]2c2nonc2C)n1Cc1ccccc1 ZINC000020406458 558360106 /nfs/dbraw/zinc/36/01/06/558360106.db2.gz VCIGTSHCQYAPTM-SFHVURJKSA-N 0 0 415.519 2.754 50 0 HFAARN Cc1ccc2c(CN3CCN(CC(=O)Nc4ccccc4F)CC3)cc(=O)oc2c1 ZINC000020407870 558360586 /nfs/dbraw/zinc/36/05/86/558360586.db2.gz DRMFDXZQYWRAKM-UHFFFAOYSA-N 0 0 409.461 2.997 50 0 HFAARN Cc1cccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)cc3)n2)c1 ZINC000020417623 558361024 /nfs/dbraw/zinc/36/10/24/558361024.db2.gz HUQWCOUAEDVADQ-UHFFFAOYSA-N 0 0 414.849 2.623 50 0 HFAARN CCS(=O)(=O)c1ncc(CN(C)CCC2CCOCC2)n1Cc1ccccc1 ZINC000012301285 558371001 /nfs/dbraw/zinc/37/10/01/558371001.db2.gz FFOPHEHBEDSHLW-UHFFFAOYSA-N 0 0 405.564 2.974 50 0 HFAARN Cc1nccn1CCCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012302842 558372334 /nfs/dbraw/zinc/37/23/34/558372334.db2.gz OTBXJNOWTRGXLG-UHFFFAOYSA-N 0 0 410.518 2.791 50 0 HFAARN COc1ccc(CCN2C[C@H](C(=O)NCc3nc4ccccc4n3C)CCC2=O)cc1 ZINC000012305106 558374092 /nfs/dbraw/zinc/37/40/92/558374092.db2.gz XLYICLRMRWSBKZ-GOSISDBHSA-N 0 0 420.513 2.679 50 0 HFAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000012307230 558375848 /nfs/dbraw/zinc/37/58/48/558375848.db2.gz PMDGMXVXLUPTJH-MRXNPFEDSA-N 0 0 406.552 2.732 50 0 HFAARN O=C(NCc1ccccn1)c1cccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000012307709 558376149 /nfs/dbraw/zinc/37/61/49/558376149.db2.gz IXYCTTQMRAJJSF-NRFANRHFSA-N 0 0 409.486 2.560 50 0 HFAARN CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CCCCC1 ZINC000012315299 558378630 /nfs/dbraw/zinc/37/86/30/558378630.db2.gz XQGHFDFPPPRPBO-GOSISDBHSA-N 0 0 415.534 2.635 50 0 HFAARN COc1ccc(OCc2cc(C(=O)N3CCN(CC4CC4)CC3)n[nH]2)c(Cl)c1 ZINC000012316328 558379664 /nfs/dbraw/zinc/37/96/64/558379664.db2.gz VXNPNFRMVYFUTD-UHFFFAOYSA-N 0 0 404.898 2.819 50 0 HFAARN CCc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020512008 558382278 /nfs/dbraw/zinc/38/22/78/558382278.db2.gz ANXHORQGJRMNBM-UHFFFAOYSA-N 0 0 415.559 2.527 50 0 HFAARN COc1cc([C@@H]2N=C(N3CCc4ccccc43)Nc3nc(C)cc(=O)n32)ccc1O ZINC000012324484 558382935 /nfs/dbraw/zinc/38/29/35/558382935.db2.gz GFADSBREXMALGT-HXUWFJFHSA-N 0 0 403.442 2.657 50 0 HFAARN O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(I)o1 ZINC000012375075 558391503 /nfs/dbraw/zinc/39/15/03/558391503.db2.gz NAIWBFVBSNSBAC-POHAHGRESA-N 0 0 409.135 2.957 50 0 HFAARN O=C(Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000012377132 558392266 /nfs/dbraw/zinc/39/22/66/558392266.db2.gz RUSDJVIANAEGLZ-UHFFFAOYSA-N 0 0 424.819 2.979 50 0 HFAARN Cc1cc2c(nc(C)n(NC(=O)[C@@H](C)n3ncc(Br)c3C)c2=O)s1 ZINC000020616391 558392936 /nfs/dbraw/zinc/39/29/36/558392936.db2.gz ZGUAMVFQTUAWJB-SECBINFHSA-N 0 0 410.297 2.674 50 0 HFAARN C[C@H](NC(=O)c1ccccc1F)c1nnc(S[C@@H](C)C(=O)NC(C)(C)C)n1C ZINC000012383978 558393741 /nfs/dbraw/zinc/39/37/41/558393741.db2.gz GMCQIHWGPLSJIU-RYUDHWBXSA-N 0 0 407.515 2.841 50 0 HFAARN C[C@@H](NC(=O)c1ccccc1F)c1nnc(S[C@@H](C)C(=O)NC(C)(C)C)n1C ZINC000012383979 558393745 /nfs/dbraw/zinc/39/37/45/558393745.db2.gz GMCQIHWGPLSJIU-NEPJUHHUSA-N 0 0 407.515 2.841 50 0 HFAARN O=C(Cn1cncn1)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012385961 558394786 /nfs/dbraw/zinc/39/47/86/558394786.db2.gz UGXLCMMEZIXWDF-SFHVURJKSA-N 0 0 403.486 2.614 50 0 HFAARN COc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 ZINC000012410017 558400528 /nfs/dbraw/zinc/40/05/28/558400528.db2.gz LUWFOSXLKGXEDS-GOSISDBHSA-N 0 0 421.497 2.925 50 0 HFAARN CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 ZINC000012411548 558400995 /nfs/dbraw/zinc/40/09/95/558400995.db2.gz ZFHGCDKLDQMIKO-UHFFFAOYSA-N 0 0 421.453 2.851 50 0 biogenic,in-vitro HFAARN CCc1c(-c2ccccc2)n(-c2cccc(O)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012413157 558401458 /nfs/dbraw/zinc/40/14/58/558401458.db2.gz KUNSHXUCCLGEEQ-UHFFFAOYSA-N 0 0 415.453 2.611 50 0 HFAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@]32c3ccccc3N(CC(N)=O)C2=O)c(C)c1 ZINC000020721270 558402990 /nfs/dbraw/zinc/40/29/90/558402990.db2.gz LPNBFBKSTVEXEP-QHCPKHFHSA-N 0 0 415.453 2.599 50 0 HFAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)c1 ZINC000020721513 558403014 /nfs/dbraw/zinc/40/30/14/558403014.db2.gz IAWBYDKLZGQHKN-UHFFFAOYSA-N 0 0 407.470 2.794 50 0 HFAARN COc1cc(C(=O)N[C@H](C)Cc2ccccn2)ccc1OC1CCN(C(C)=O)CC1 ZINC000012431671 558406075 /nfs/dbraw/zinc/40/60/75/558406075.db2.gz BJVKSHXJUPJAMX-MRXNPFEDSA-N 0 0 411.502 2.841 50 0 HFAARN 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COCc1nc2scc(-c3ccccc3)c2c(N2CCCN(CC(N)=O)CC2)n1 ZINC000060277701 558806354 /nfs/dbraw/zinc/80/63/54/558806354.db2.gz RCHSHWJKWDWRRK-UHFFFAOYSA-N 0 0 411.531 2.502 50 0 HFAARN COc1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccco3)s2)cc1 ZINC000032986985 558806946 /nfs/dbraw/zinc/80/69/46/558806946.db2.gz VECASORNGVVCGO-UHFFFAOYSA-N 0 0 418.500 2.942 50 0 HFAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000032987861 558807771 /nfs/dbraw/zinc/80/77/71/558807771.db2.gz SCXYKPMBDLDUMK-INIZCTEOSA-N 0 0 422.938 2.805 50 0 HFAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccco2)c1 ZINC000032988095 558808213 /nfs/dbraw/zinc/80/82/13/558808213.db2.gz YKYUOUFKXWYQLB-UHFFFAOYSA-N 0 0 409.475 2.848 50 0 HFAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000017088793 558817471 /nfs/dbraw/zinc/81/74/71/558817471.db2.gz LRKPSXLQCNEMRL-UHFFFAOYSA-N 0 0 411.343 2.752 50 0 HFAARN Cc1c2ccccc2[nH]c1CN(C)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000039359935 558820373 /nfs/dbraw/zinc/82/03/73/558820373.db2.gz 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COc1ccc(C)cc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000054274393 558867249 /nfs/dbraw/zinc/86/72/49/558867249.db2.gz AISYIQGVADELBJ-UHFFFAOYSA-N 0 0 423.496 2.976 50 0 HFAARN COCCCN([C@H](C)c1ccccn1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000033077187 558868417 /nfs/dbraw/zinc/86/84/17/558868417.db2.gz NEHKIMCJRMSRFK-OAHLLOKOSA-N 0 0 401.488 2.712 50 0 HFAARN CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@H]4C)CC3)c2c1 ZINC000033088052 558869893 /nfs/dbraw/zinc/86/98/93/558869893.db2.gz ARKLZVJEMCSHBO-GOSISDBHSA-N 0 0 411.546 2.874 50 0 HFAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NCCCc1ccccc1 ZINC000055035891 558870149 /nfs/dbraw/zinc/87/01/49/558870149.db2.gz DHDQVUCVCGTWOJ-MKGTUJQCSA-N 0 0 421.541 2.648 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc2ccccc21 ZINC000055041911 558870380 /nfs/dbraw/zinc/87/03/80/558870380.db2.gz PNIASGHPYNDAGP-OAQYLSRUSA-N 0 0 407.539 2.951 50 0 HFAARN Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)n1 ZINC000055042212 558870463 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O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000019356850 558875727 /nfs/dbraw/zinc/87/57/27/558875727.db2.gz OQBGFGYYWFPXNZ-LLVKDONJSA-N 0 0 423.416 2.904 50 0 HFAARN CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)n(C)n1 ZINC000055342414 558879717 /nfs/dbraw/zinc/87/97/17/558879717.db2.gz YWIAHWZNHUKPOU-LJQANCHMSA-N 0 0 413.541 2.939 50 0 HFAARN CCn1ncc(NC(=O)Cn2ncc3cc(-c4ccc(C(=O)N(C)C)cc4)ccc32)n1 ZINC000055368877 558880186 /nfs/dbraw/zinc/88/01/86/558880186.db2.gz BFPDTCLFCNIWDM-UHFFFAOYSA-N 0 0 417.473 2.655 50 0 HFAARN Cc1cc(C)c(CN2CCN(CC(=O)Nc3ccc(F)cc3F)S2(=O)=O)c(C)c1 ZINC000033045437 558882554 /nfs/dbraw/zinc/88/25/54/558882554.db2.gz VOKQAGUWCCHOOB-UHFFFAOYSA-N 0 0 423.485 2.891 50 0 HFAARN O=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000013799439 558883315 /nfs/dbraw/zinc/88/33/15/558883315.db2.gz MKQWLPUPDLFVCN-UHFFFAOYSA-N 0 0 405.426 2.557 50 0 HFAARN COc1cc(C(=O)NCCC(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000004674819 558886612 /nfs/dbraw/zinc/88/66/12/558886612.db2.gz HQXPWPVFKCHRNC-MRXNPFEDSA-N 0 0 414.502 2.970 50 0 biogenic HFAARN COc1ccc(CCC(=O)NCCNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000013854508 558887085 /nfs/dbraw/zinc/88/70/85/558887085.db2.gz HYRSNQPXUDXLDM-UHFFFAOYSA-N 0 0 411.502 2.769 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)s1 ZINC000011225091 558891771 /nfs/dbraw/zinc/89/17/71/558891771.db2.gz PPHWPIJYOHZHPU-UHFFFAOYSA-N 0 0 403.323 2.691 50 0 HFAARN Cn1ccnc1[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(F)cc1 ZINC000010656619 558894564 /nfs/dbraw/zinc/89/45/64/558894564.db2.gz AEEMSDYKDYYMQA-GOSISDBHSA-N 0 0 413.478 2.591 50 0 HFAARN COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1Cl ZINC000058081856 558898044 /nfs/dbraw/zinc/89/80/44/558898044.db2.gz QRAUUGJVYPCTOF-CRAIPNDOSA-N 0 0 421.925 2.988 50 0 HFAARN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000058089098 558898488 /nfs/dbraw/zinc/89/84/88/558898488.db2.gz LRDRBLISEBLMEG-OAHLLOKOSA-N 0 0 423.560 2.738 50 0 HFAARN COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)cc1OC ZINC000033169818 558903093 /nfs/dbraw/zinc/90/30/93/558903093.db2.gz FGBMAVQFJYUSJT-AWEZNQCLSA-N 0 0 408.414 2.860 50 0 HFAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000033170579 558903742 /nfs/dbraw/zinc/90/37/42/558903742.db2.gz UAUOBETYUMZTNU-XZVRFQMRSA-N 0 0 419.503 2.878 50 0 HFAARN O=S1(=O)CC[C@@H](N2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)C1 ZINC000058160446 558905114 /nfs/dbraw/zinc/90/51/14/558905114.db2.gz ARZQKPPTUMWVIZ-MRXNPFEDSA-N 0 0 414.556 2.667 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)NCc3noc(-c4ccccc4)n3)cc2C[C@H]1C ZINC000058166601 558906939 /nfs/dbraw/zinc/90/69/39/558906939.db2.gz YKUMHNYGRYIMPE-CYBMUJFWSA-N 0 0 412.471 2.513 50 0 HFAARN CNC(=O)c1ccn(-c2ccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)cc2)n1 ZINC000058174875 558909065 /nfs/dbraw/zinc/90/90/65/558909065.db2.gz ZKAQZZHLKAGMBD-GOSISDBHSA-N 0 0 421.482 2.674 50 0 HFAARN O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000058193959 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COc1cccc(CNC(=O)CCn2c(=O)c3sccc3nc2N2CCCC2)c1 ZINC000033308849 559052883 /nfs/dbraw/zinc/05/28/83/559052883.db2.gz BOZPDFKMZRIQRL-UHFFFAOYSA-N 0 0 412.515 2.773 50 0 HFAARN CS(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)cc1 ZINC000004760619 559053364 /nfs/dbraw/zinc/05/33/64/559053364.db2.gz MWZUPFUYGOXDRE-IBGZPJMESA-N 0 0 407.463 2.986 50 0 HFAARN O=C(c1cccc(F)c1)N1CCC[C@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310638 559054269 /nfs/dbraw/zinc/05/42/69/559054269.db2.gz DJBGDZCSSBUUOU-FQEVSTJZSA-N 0 0 412.461 2.982 50 0 HFAARN COC(=O)CNC(=O)Cc1csc(-n2nc(C)c(Cc3cccc(F)c3)c2C)n1 ZINC000033320734 559057774 /nfs/dbraw/zinc/05/77/74/559057774.db2.gz GLQZEUMBYQFHOK-UHFFFAOYSA-N 0 0 416.478 2.507 50 0 HFAARN Cc1ccc(-c2cc(C(=O)NCc3ccncc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325544 559058888 /nfs/dbraw/zinc/05/88/88/559058888.db2.gz BOKWKGMXNCBPPN-SFHVURJKSA-N 0 0 410.499 2.543 50 0 HFAARN COc1cccc(-c2nc3n(c2C(=O)N[C@@H](C)c2ccccc2)CCS3(=O)=O)c1 ZINC000086069355 559059192 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COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCCCC3)c1 ZINC000096274706 560848156 /nfs/dbraw/zinc/84/81/56/560848156.db2.gz KMQHOMDDAAOOFD-FQEVSTJZSA-N 0 0 409.486 2.908 50 0 HFAARN O=C(Cn1c(=O)[nH]c2c(-c3ccccc3)c[nH]c2c1=O)NCc1ccccc1Cl ZINC000102434766 560852675 /nfs/dbraw/zinc/85/26/75/560852675.db2.gz FWEYCMTUFRTKLC-UHFFFAOYSA-N 0 0 408.845 2.655 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1 ZINC000085690423 560853058 /nfs/dbraw/zinc/85/30/58/560853058.db2.gz GAZBDVLYGNILTO-MRXNPFEDSA-N 0 0 405.458 2.971 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)cc1 ZINC000085690476 560853068 /nfs/dbraw/zinc/85/30/68/560853068.db2.gz NAXPHFFOKMSFNX-SFHVURJKSA-N 0 0 419.485 2.649 50 0 HFAARN CCCCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000014823240 560853083 /nfs/dbraw/zinc/85/30/83/560853083.db2.gz QBUBVZFRVKPXIT-CYBMUJFWSA-N 0 0 422.913 2.783 50 0 HFAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000245258131 560854966 /nfs/dbraw/zinc/85/49/66/560854966.db2.gz KQUABBHSKHMQQL-ILXRZTDVSA-N 0 0 422.576 2.787 50 0 HFAARN CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000245258165 560854969 /nfs/dbraw/zinc/85/49/69/560854969.db2.gz LZBGTMPVXFKPEY-SXGZJXTBSA-N 0 0 401.507 2.844 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)c2nnn(-c3cc(Cl)ccc3OC)c2C)CC1 ZINC000051317599 560857985 /nfs/dbraw/zinc/85/79/85/560857985.db2.gz BOVKAQQGTVZJDV-UHFFFAOYSA-N 0 0 421.885 2.588 50 0 HFAARN COCCCNS(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000105050329 560860806 /nfs/dbraw/zinc/86/08/06/560860806.db2.gz PUMHCLSMSXWLLH-LEWJYISDSA-N 0 0 420.531 2.508 50 0 HFAARN C[C@H](C(=O)Nc1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cc1)n1cncn1 ZINC000046875888 560878636 /nfs/dbraw/zinc/87/86/36/560878636.db2.gz UWWCSIWONFBOLS-RDTXWAMCSA-N 0 0 406.446 2.603 50 0 HFAARN CC[C@@H](C)NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc(OC)cc3)no2)c1N ZINC000046915272 560879418 /nfs/dbraw/zinc/87/94/18/560879418.db2.gz UJQKIUMRCLOAOI-LLVKDONJSA-N 0 0 416.507 2.828 50 0 HFAARN COc1cccc(Cn2c(CNC(=O)[C@@H](C)Cn3ccnc3C)nc3cccnc32)c1 ZINC000047145825 560882244 /nfs/dbraw/zinc/88/22/44/560882244.db2.gz FQPZLRKWXYPIMJ-INIZCTEOSA-N 0 0 418.501 2.946 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000047173923 560883590 /nfs/dbraw/zinc/88/35/90/560883590.db2.gz AHEDXJBELHVBEV-XOBRGWDASA-N 0 0 404.474 2.962 50 0 HFAARN COc1ccc(C=CC(=O)Nc2cc(C3CC3)nn2-c2nc(C)cc(=O)[nH]2)cc1OC ZINC000012123368 560889445 /nfs/dbraw/zinc/88/94/45/560889445.db2.gz ZIVBVYXDNGLGGB-UITAMQMPSA-N 0 0 421.457 2.811 50 0 HFAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000012166410 560890471 /nfs/dbraw/zinc/89/04/71/560890471.db2.gz ZKFFSPYPOUATMD-UHFFFAOYSA-N 0 0 410.401 2.762 50 0 HFAARN O=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCN(c2ccccc2)CC1 ZINC000025184088 560891314 /nfs/dbraw/zinc/89/13/14/560891314.db2.gz RUFCFRYQHHQYRE-UHFFFAOYSA-N 0 0 414.535 2.955 50 0 HFAARN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2sccc2C1 ZINC000012214728 560892433 /nfs/dbraw/zinc/89/24/33/560892433.db2.gz PARYDVFTZZUECR-UHFFFAOYSA-N 0 0 408.520 2.873 50 0 HFAARN O=C(NCCn1nc(-c2ccco2)n(C2CC2)c1=O)c1cc(-c2cccs2)on1 ZINC000211075705 560894386 /nfs/dbraw/zinc/89/43/86/560894386.db2.gz PGPZZEHHFDISRJ-UHFFFAOYSA-N 0 0 411.443 2.786 50 0 HFAARN O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000211095941 560894677 /nfs/dbraw/zinc/89/46/77/560894677.db2.gz WQODGDDICHHPPE-UHFFFAOYSA-N 0 0 416.425 2.844 50 0 HFAARN Cc1ccccc1-n1ncc2c1c(=O)n(CC(=O)NCc1ccc(F)cc1)nc2C ZINC000012228557 560895706 /nfs/dbraw/zinc/89/57/06/560895706.db2.gz ACBOSKHINZWOHW-UHFFFAOYSA-N 0 0 405.433 2.655 50 0 HFAARN O=C(N=c1[nH]c2ccccc2[nH]1)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000005207574 568417425 /nfs/dbraw/zinc/41/74/25/568417425.db2.gz RURAKXHEOJGMKH-UHFFFAOYSA-N 0 0 402.458 2.535 50 0 HFAARN Cc1nn(CCC(=O)N2c3ccccc3C[C@H]2C)c(C)c1S(=O)(=O)N1CCCC1 ZINC000045998032 568423193 /nfs/dbraw/zinc/42/31/93/568423193.db2.gz LDQTWVGAGWFADZ-OAHLLOKOSA-N 0 0 416.547 2.652 50 0 HFAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)c1 ZINC000005756564 568423499 /nfs/dbraw/zinc/42/34/99/568423499.db2.gz YTVFPYAANYHKIP-UHFFFAOYSA-N 0 0 400.460 2.936 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)N[C@H](C)CC)CC2)c1C ZINC000046046133 568425256 /nfs/dbraw/zinc/42/52/56/568425256.db2.gz NTZDCBAKPIIQRJ-CQSZACIVSA-N 0 0 405.539 2.894 50 0 HFAARN C[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)NCc1cccs1 ZINC000046047388 568425707 /nfs/dbraw/zinc/42/57/07/568425707.db2.gz QSQSLEQUYXTXMX-CYBMUJFWSA-N 0 0 411.512 2.739 50 0 HFAARN CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000046073921 568426608 /nfs/dbraw/zinc/42/66/08/568426608.db2.gz RHPKIGFYCVMBJW-SNVBAGLBSA-N 0 0 412.393 2.965 50 0 HFAARN CC(C)CC(=O)Nc1cc2c(cc1S(=O)(=O)C1CCCCC1)n(C)c(=O)n2C ZINC000046145708 568430652 /nfs/dbraw/zinc/43/06/52/568430652.db2.gz IDAQXTVZCVGPTG-UHFFFAOYSA-N 0 0 407.536 2.968 50 0 HFAARN C[C@H]1CN(S(=O)(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@H](C)O1 ZINC000048234392 568432592 /nfs/dbraw/zinc/43/25/92/568432592.db2.gz INXUQCMXHIXWSF-UWVGGRQHSA-N 0 0 401.838 2.605 50 0 HFAARN O=C(c1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c[nH]1)N1CCCC1 ZINC000048237490 568433074 /nfs/dbraw/zinc/43/30/74/568433074.db2.gz SDLUGUGAZIHHGA-UHFFFAOYSA-N 0 0 421.423 2.627 50 0 HFAARN Cc1ccc([C@@H](CC(=O)OC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000048237765 568433224 /nfs/dbraw/zinc/43/32/24/568433224.db2.gz KPASBSWIQROIBQ-QGZVFWFLSA-N 0 0 417.487 2.526 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000048230479 568433383 /nfs/dbraw/zinc/43/33/83/568433383.db2.gz QBPCPKSAAQYWFU-KRWDZBQOSA-N 0 0 419.547 2.986 50 0 HFAARN Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)C1 ZINC000048260706 568433615 /nfs/dbraw/zinc/43/36/15/568433615.db2.gz ZYEYCOPQVDQRMM-CABCVRRESA-N 0 0 422.455 2.852 50 0 HFAARN CS(=O)(=O)Nc1ccc(NC(=O)c2nc(N3CCCCC3)ncc2Cl)cc1 ZINC000048288403 568434846 /nfs/dbraw/zinc/43/48/46/568434846.db2.gz JLXKFELQEOZLJI-UHFFFAOYSA-N 0 0 409.899 2.744 50 0 HFAARN O=S(=O)(NCc1ccnc(OCc2ccc3c(c2)OCO3)c1)N1CCCCCC1 ZINC000048312225 568436216 /nfs/dbraw/zinc/43/62/16/568436216.db2.gz WLZQSXOQRZMIAV-UHFFFAOYSA-N 0 0 419.503 2.600 50 0 HFAARN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000048309949 568436520 /nfs/dbraw/zinc/43/65/20/568436520.db2.gz KGHSFLVCQQQMLC-SFHVURJKSA-N 0 0 421.476 2.504 50 0 HFAARN C[C@@H](OC(=O)CCNC(=O)c1cnccn1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000048300049 568437340 /nfs/dbraw/zinc/43/73/40/568437340.db2.gz XCMXFUFZIJXQQV-MRXNPFEDSA-N 0 0 418.453 2.834 50 0 HFAARN CN(C)C(=O)COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 ZINC000048333073 568439441 /nfs/dbraw/zinc/43/94/41/568439441.db2.gz PWEGYOSPVSVYAP-OAQYLSRUSA-N 0 0 413.543 2.882 50 0 HFAARN Cc1ccccc1OCCCC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000048333531 568439634 /nfs/dbraw/zinc/43/96/34/568439634.db2.gz MWQVTIUSRDUDHX-HXUWFJFHSA-N 0 0 401.551 2.699 50 0 HFAARN CC(C)C[C@@H](CNC(=O)Nc1cccc(CN2CCCC2=O)c1)N1CCOCC1 ZINC000048332259 568440004 /nfs/dbraw/zinc/44/00/04/568440004.db2.gz KKOFXUISPPOIGO-FQEVSTJZSA-N 0 0 402.539 2.677 50 0 HFAARN Cc1cc(F)c2c(c1)CCCN2Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S ZINC000048340476 568440240 /nfs/dbraw/zinc/44/02/40/568440240.db2.gz MGQKWOIOEGDENI-CQSZACIVSA-N 0 0 410.540 2.711 50 0 HFAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000048355886 568441514 /nfs/dbraw/zinc/44/15/14/568441514.db2.gz FWFVMYIFMREHSL-YWZLYKJASA-N 0 0 400.504 2.928 50 0 HFAARN O=C(NC1CCCC1)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000049006595 568444817 /nfs/dbraw/zinc/44/48/17/568444817.db2.gz FFDGTTOCPQHSCI-UHFFFAOYSA-N 0 0 420.579 2.531 50 0 HFAARN Cc1ccc(NC(=O)Cn2nc(N3CCOCC3)c3ccccc3c2=O)cc1Cl ZINC000049007223 568444974 /nfs/dbraw/zinc/44/49/74/568444974.db2.gz YBXLGPIEPRUWJU-UHFFFAOYSA-N 0 0 412.877 2.834 50 0 HFAARN O=C(Cn1nc2c(Sc3ccccc3)nccn2c1=O)Nc1cc(F)ccc1F ZINC000049008794 568445364 /nfs/dbraw/zinc/44/53/64/568445364.db2.gz XRJNUBFAPGWMRM-UHFFFAOYSA-N 0 0 413.409 2.959 50 0 HFAARN O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)Nc1cccc(Br)c1 ZINC000049009310 568445385 /nfs/dbraw/zinc/44/53/85/568445385.db2.gz OBAHZBUSHKFOFP-UHFFFAOYSA-N 0 0 424.258 2.959 50 0 HFAARN Cn1c(CN2CCN(CC(=O)NCc3ccccc3Cl)CC2)nc2ccccc21 ZINC000049372156 568447269 /nfs/dbraw/zinc/44/72/69/568447269.db2.gz IHDIIKZZCURGQF-UHFFFAOYSA-N 0 0 411.937 2.661 50 0 HFAARN CCOc1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000049402905 568448226 /nfs/dbraw/zinc/44/82/26/568448226.db2.gz MWADLGNJTFKKKO-OAQYLSRUSA-N 0 0 421.453 2.910 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O ZINC000049407293 568449158 /nfs/dbraw/zinc/44/91/58/568449158.db2.gz PACDHSAZGGFPQB-UHFFFAOYSA-N 0 0 424.848 2.562 50 0 HFAARN O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049408418 568449360 /nfs/dbraw/zinc/44/93/60/568449360.db2.gz UPEAFKUSHPVHBU-UHFFFAOYSA-N 0 0 422.466 2.896 50 0 HFAARN Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)o2)s1 ZINC000049449674 568450809 /nfs/dbraw/zinc/45/08/09/568450809.db2.gz FFLPDCYXZFXUNI-LLVKDONJSA-N 0 0 401.423 2.941 50 0 HFAARN CCCS(=O)(=O)N1CCC(C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000049462037 568450844 /nfs/dbraw/zinc/45/08/44/568450844.db2.gz XTWGWGAMBSKSEV-UHFFFAOYSA-N 0 0 402.538 2.542 50 0 HFAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1OC ZINC000049547206 568451490 /nfs/dbraw/zinc/45/14/90/568451490.db2.gz IYCDARYABIARPI-QFIPXVFZSA-N 0 0 421.497 2.925 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)Nc1nc2ccccc2[nH]1 ZINC000049547441 568451608 /nfs/dbraw/zinc/45/16/08/568451608.db2.gz IQJXALIFLVXYJT-UHFFFAOYSA-N 0 0 412.881 2.687 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)NCC1(c2cccs2)CCOCC1 ZINC000049521416 568452328 /nfs/dbraw/zinc/45/23/28/568452328.db2.gz OGYVATWMUVMJAH-UHFFFAOYSA-N 0 0 401.531 2.623 50 0 HFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2cccs2)s1 ZINC000049580876 568452749 /nfs/dbraw/zinc/45/27/49/568452749.db2.gz OCXCFNAVXZKBRG-UHFFFAOYSA-N 0 0 423.545 2.695 50 0 HFAARN CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)c2sc(C)nc21 ZINC000012232792 568454376 /nfs/dbraw/zinc/45/43/76/568454376.db2.gz GXOAHYIJOQPLBN-UHFFFAOYSA-N 0 0 402.501 2.833 50 0 HFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1nccs1 ZINC000012233231 568454436 /nfs/dbraw/zinc/45/44/36/568454436.db2.gz BSSPTTYRFZHWME-LBPRGKRZSA-N 0 0 410.484 2.714 50 0 HFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccncc1 ZINC000012233212 568454463 /nfs/dbraw/zinc/45/44/63/568454463.db2.gz TUANUTICGJXTOW-HNNXBMFYSA-N 0 0 404.455 2.653 50 0 HFAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 ZINC000005152798 568454550 /nfs/dbraw/zinc/45/45/50/568454550.db2.gz VVEHICPLANMGPU-HXUWFJFHSA-N 0 0 407.445 2.955 50 0 HFAARN CCOC(=O)c1c(C)n(CC)c(C)c1/C=C/C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000024696899 568456846 /nfs/dbraw/zinc/45/68/46/568456846.db2.gz GOEAWGKNOMNXRE-ZHACJKMWSA-N 0 0 408.462 2.929 50 0 HFAARN COc1cccc(CN2C(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000006817290 568459560 /nfs/dbraw/zinc/45/95/60/568459560.db2.gz NNPUMEXVOHMPFY-VQTJNVASSA-N 0 0 400.500 2.920 50 0 HFAARN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1F ZINC000006818516 568459591 /nfs/dbraw/zinc/45/95/91/568459591.db2.gz WFGZCCMCTUAMSW-UHFFFAOYSA-N 0 0 407.286 2.875 50 0 HFAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCC3 ZINC000000680189 568461538 /nfs/dbraw/zinc/46/15/38/568461538.db2.gz FJGLQMQFCIIKSB-UHFFFAOYSA-N 0 0 412.496 2.849 50 0 HFAARN COc1ccc2[nH]c(C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)cc2c1OC ZINC000012296721 568462358 /nfs/dbraw/zinc/46/23/58/568462358.db2.gz ZGFSXEVIOKAEIO-UHFFFAOYSA-N 0 0 420.469 2.755 50 0 biogenic HFAARN COC(=O)c1sc(NC(=O)[C@H](OC(C)=O)c2ccccc2)c(C(=O)OC)c1C ZINC000000706876 568463475 /nfs/dbraw/zinc/46/34/75/568463475.db2.gz FGEFPHLPPONSRV-CQSZACIVSA-N 0 0 405.428 2.873 50 0 HFAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1cc(=O)oc2cc(O)ccc12 ZINC000006933657 568464569 /nfs/dbraw/zinc/46/45/69/568464569.db2.gz PDQGLYSZMJFTIG-UHFFFAOYSA-N 0 0 411.454 2.874 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc(-c3ccccc3)no2)s1 ZINC000022133147 568475802 /nfs/dbraw/zinc/47/58/02/568475802.db2.gz QEWJJQBHBGDQGF-UHFFFAOYSA-N 0 0 406.485 2.852 50 0 HFAARN COc1cccc(Cn2c(Oc3cc(C)cc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000789648 568478926 /nfs/dbraw/zinc/47/89/26/568478926.db2.gz YKNNVLHKDGCNIW-UHFFFAOYSA-N 0 0 420.469 2.900 50 0 biogenic HFAARN CC(C)n1nccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000022292263 568479232 /nfs/dbraw/zinc/47/92/32/568479232.db2.gz UZBHMYNJBSWWOZ-UHFFFAOYSA-N 0 0 422.415 2.776 50 0 HFAARN CCOC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000791226 568480081 /nfs/dbraw/zinc/48/00/81/568480081.db2.gz HKAGBDPEKWFJMI-UHFFFAOYSA-N 0 0 401.444 2.590 50 0 HFAARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000218498279 568481156 /nfs/dbraw/zinc/48/11/56/568481156.db2.gz RSCFZXWHPJDZQA-PZJWPPBQSA-N 0 0 420.513 2.897 50 0 HFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)CCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000007887703 568485792 /nfs/dbraw/zinc/48/57/92/568485792.db2.gz HFEMKFLVCZAKDM-LJQANCHMSA-N 0 0 415.511 2.993 50 0 HFAARN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCC(OC)OC)cc1 ZINC000604405127 568492481 /nfs/dbraw/zinc/49/24/81/568492481.db2.gz KSLKDZPKFNASOK-UHFFFAOYSA-N 0 0 401.415 2.648 50 0 biogenic HFAARN COc1cc(OC)c([C@H]2C3=CNNC3=Nc3c4ccccc4oc(=O)c32)cc1OC ZINC000604418519 568492985 /nfs/dbraw/zinc/49/29/85/568492985.db2.gz JSLKZTKRQKDUKA-SFHVURJKSA-N 0 0 405.410 2.986 50 0 HFAARN COc1ncccc1NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000604418909 568493132 /nfs/dbraw/zinc/49/31/32/568493132.db2.gz OFPIXHPFOUXTGO-OAQYLSRUSA-N 0 0 414.421 2.844 50 0 HFAARN O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000008236949 568493672 /nfs/dbraw/zinc/49/36/72/568493672.db2.gz JYQLHPDJCCCPLA-UHFFFAOYSA-N 0 0 406.454 2.600 50 0 HFAARN CC(C)C(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)C ZINC000000813829 568493981 /nfs/dbraw/zinc/49/39/81/568493981.db2.gz SRYLSDIQLFMSSM-UHFFFAOYSA-N 0 0 402.944 2.771 50 0 HFAARN O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000813725 568493995 /nfs/dbraw/zinc/49/39/95/568493995.db2.gz DAWYFQXXHIPCGB-UHFFFAOYSA-N 0 0 400.928 2.814 50 0 HFAARN O=C(CSc1nnnn1C1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008395424 568499354 /nfs/dbraw/zinc/49/93/54/568499354.db2.gz ZDBIRQHHZBIFGX-UHFFFAOYSA-N 0 0 421.548 2.548 50 0 HFAARN Cc1ccc(C)c(OC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c1C ZINC000022758827 568500128 /nfs/dbraw/zinc/50/01/28/568500128.db2.gz INFUCBSZCXSRLP-UHFFFAOYSA-N 0 0 419.499 2.999 50 0 HFAARN O=C(NCc1cccnc1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000022836597 568500168 /nfs/dbraw/zinc/50/01/68/568500168.db2.gz GYLFNZJBOXNHCH-UHFFFAOYSA-N 0 0 413.524 2.820 50 0 HFAARN CC[C@H](C)NC(=O)c1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000032959290 568510151 /nfs/dbraw/zinc/51/01/51/568510151.db2.gz QXJBMWPUYJVHKP-LBPRGKRZSA-N 0 0 411.483 2.989 50 0 HFAARN CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c3ccccc3)ccc21 ZINC000033023923 568510384 /nfs/dbraw/zinc/51/03/84/568510384.db2.gz CLIQYFOIRKWXOP-HNNXBMFYSA-N 0 0 415.519 2.510 50 0 HFAARN Cc1nn(CC(=O)NCCC(C)C)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267308 568512160 /nfs/dbraw/zinc/51/21/60/568512160.db2.gz VTCCYSCADWNVMK-UHFFFAOYSA-N 0 0 418.501 2.844 50 0 HFAARN O=C(CCc1nc(CSc2n[nH]c(-c3ccccc3)n2)no1)Nc1nncs1 ZINC000033270775 568512358 /nfs/dbraw/zinc/51/23/58/568512358.db2.gz LZNQECSZQVKOFC-UHFFFAOYSA-N 0 0 414.476 2.570 50 0 HFAARN Cc1cccc(Cn2c(SCC(=O)c3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000000839507 568515043 /nfs/dbraw/zinc/51/50/43/568515043.db2.gz AYXNMEBVHNVTOY-UHFFFAOYSA-N 0 0 420.494 2.755 50 0 HFAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(-c2ccccc2Cl)no1 ZINC000024978276 568517748 /nfs/dbraw/zinc/51/77/48/568517748.db2.gz UGXSEJJBTWTOTF-LLVKDONJSA-N 0 0 404.879 2.989 50 0 HFAARN O=C(NCCCN1CCCCCC1=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000051866116 568565515 /nfs/dbraw/zinc/56/55/15/568565515.db2.gz AMGYMMYHJRMYEC-SFHVURJKSA-N 0 0 400.523 2.839 50 0 HFAARN CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000020062138 568586898 /nfs/dbraw/zinc/58/68/98/568586898.db2.gz UYDKCHYYWZHQSU-UHFFFAOYSA-N 0 0 413.971 2.682 50 0 HFAARN CCc1ccc(N2C(=O)N(Cc3cccc(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000020132654 568589686 /nfs/dbraw/zinc/58/96/86/568589686.db2.gz NVODEDMSMXSMQJ-VQTJNVASSA-N 0 0 400.500 2.865 50 0 HFAARN Cc1cccc(Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccco3)c2=O)c1 ZINC000020152876 568590857 /nfs/dbraw/zinc/59/08/57/568590857.db2.gz IKPJWTOQIIJFQM-UHFFFAOYSA-N 0 0 417.465 2.819 50 0 HFAARN CN1c2ccc(NC(=O)c3ccccc3OC(F)(F)F)cc2N(C)S1(=O)=O ZINC000390827182 568591438 /nfs/dbraw/zinc/59/14/38/568591438.db2.gz USMWRCSEDFCQSC-UHFFFAOYSA-N 0 0 401.366 2.968 50 0 HFAARN CS(=O)(=O)c1ccc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)cc1 ZINC000390828992 568591770 /nfs/dbraw/zinc/59/17/70/568591770.db2.gz VQSJXUFGFXKTAP-UHFFFAOYSA-N 0 0 408.483 2.622 50 0 HFAARN NC(=O)COc1ccc(S(=O)(=O)NCc2nc(C3CCCCC3)cs2)cc1 ZINC000390831382 568592303 /nfs/dbraw/zinc/59/23/03/568592303.db2.gz RNILNWPXJXHMSX-UHFFFAOYSA-N 0 0 409.533 2.533 50 0 HFAARN COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)cc(OC)c1OC ZINC000020287513 568597159 /nfs/dbraw/zinc/59/71/59/568597159.db2.gz JPDCAKCGIOMDGP-LIRRHRJNSA-N 0 0 420.531 2.966 50 0 HFAARN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 ZINC000095348704 568600210 /nfs/dbraw/zinc/60/02/10/568600210.db2.gz WJEPAQNRGCVYQV-UHFFFAOYSA-N 0 0 423.538 2.639 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000080338116 568602555 /nfs/dbraw/zinc/60/25/55/568602555.db2.gz SILZUYQNUQFMEG-QGZVFWFLSA-N 0 0 408.502 2.744 50 0 HFAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000095401233 568605054 /nfs/dbraw/zinc/60/50/54/568605054.db2.gz LDIJXQLOHJERGP-SFHVURJKSA-N 0 0 420.985 2.996 50 0 HFAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCN3CCOCC3)c(C)c12 ZINC000020436440 568607245 /nfs/dbraw/zinc/60/72/45/568607245.db2.gz FIGJVXQFWDIQRB-UHFFFAOYSA-N 0 0 421.545 2.727 50 0 HFAARN CN(C)c1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000020442683 568607801 /nfs/dbraw/zinc/60/78/01/568607801.db2.gz JAHOSWLVZARMFD-IZIIKQMZSA-N 0 0 421.497 2.980 50 0 HFAARN CC(C)c1cc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)nn1-c1ccncc1 ZINC000095431973 568609160 /nfs/dbraw/zinc/60/91/60/568609160.db2.gz UKBINMDQQDPLLM-UYAOXDASSA-N 0 0 412.490 2.718 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 ZINC000020466356 568610376 /nfs/dbraw/zinc/61/03/76/568610376.db2.gz RXWVJLZWLDCYII-UHFFFAOYSA-N 0 0 423.860 2.536 50 0 HFAARN CCCN(C(=O)Nc1ccc(Br)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000095446552 568611960 /nfs/dbraw/zinc/61/19/60/568611960.db2.gz UKSNFULUUMZYHC-GFCCVEGCSA-N 0 0 405.314 2.889 50 0 HFAARN CCCN(C(=O)Nc1ccc(Br)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000095446553 568611976 /nfs/dbraw/zinc/61/19/76/568611976.db2.gz UKSNFULUUMZYHC-LBPRGKRZSA-N 0 0 405.314 2.889 50 0 HFAARN Cc1ccc(C(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cc1 ZINC000095453600 568615986 /nfs/dbraw/zinc/61/59/86/568615986.db2.gz WGGBYJOKCRXKQK-MRXNPFEDSA-N 0 0 401.260 2.640 50 0 HFAARN C[C@@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1nnc2n1CCC2 ZINC000095461166 568620490 /nfs/dbraw/zinc/62/04/90/568620490.db2.gz SFXMUKDHUXGUER-CQSZACIVSA-N 0 0 421.505 2.523 50 0 HFAARN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C[C@H]1O ZINC000095464974 568622876 /nfs/dbraw/zinc/62/28/76/568622876.db2.gz VEYOVXYWCIKBNL-HMXCVIKNSA-N 0 0 416.562 2.950 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000095468498 568625126 /nfs/dbraw/zinc/62/51/26/568625126.db2.gz JHBRDQMEVFMCGE-SAHWJRBASA-N 0 0 423.561 2.752 50 0 HFAARN CC(C)C[C@H](C(=O)N1CCN(CCc2ccccn2)CC1)N1Cc2ccccc2C1=O ZINC000095476342 568630321 /nfs/dbraw/zinc/63/03/21/568630321.db2.gz PBXBYDVZBFLPBN-HSZRJFAPSA-N 0 0 420.557 2.839 50 0 HFAARN CCOc1ccc(-c2noc(CNc3ccc(S(=O)(=O)CCO)cc3F)n2)cc1 ZINC000225389037 568633497 /nfs/dbraw/zinc/63/34/97/568633497.db2.gz QFEFQYJIMIOYGH-UHFFFAOYSA-N 0 0 421.450 2.653 50 0 HFAARN Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000095482522 568634683 /nfs/dbraw/zinc/63/46/83/568634683.db2.gz NSBGWBFCIPIQHW-UHFFFAOYSA-N 0 0 405.564 2.551 50 0 HFAARN Cc1ccc(Br)c(CC(=O)N2CCN([C@H](C)c3cccnc3)CC2)n1 ZINC000225414711 568635517 /nfs/dbraw/zinc/63/55/17/568635517.db2.gz DFAJZVFWKMXCGG-OAHLLOKOSA-N 0 0 403.324 2.995 50 0 HFAARN Cc1cc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c(C)n1-c1nccs1 ZINC000225434356 568637833 /nfs/dbraw/zinc/63/78/33/568637833.db2.gz XISRMEFQIZUBIX-UHFFFAOYSA-N 0 0 424.592 2.873 50 0 HFAARN O=C(c1c(F)cccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 ZINC000020614795 568638106 /nfs/dbraw/zinc/63/81/06/568638106.db2.gz ZFIFFJVQLCZKMV-UHFFFAOYSA-N 0 0 422.453 2.618 50 0 HFAARN CC(=O)Oc1ccc(CC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000225504422 568644213 /nfs/dbraw/zinc/64/42/13/568644213.db2.gz XZYXVFWIMGSOHU-UHFFFAOYSA-N 0 0 411.454 2.748 50 0 HFAARN COC(=O)C1=C(CS(=O)(=O)c2cccc(Cl)c2)NC(=O)N[C@H]1c1ccccc1 ZINC000020857993 568645803 /nfs/dbraw/zinc/64/58/03/568645803.db2.gz YTRMKFLEOWEHML-KRWDZBQOSA-N 0 0 420.874 2.595 50 0 HFAARN CS(=O)(=O)CC[C@H](c1nc(-c2ccccc2)no1)N1C(=O)c2ccccc2C1=O ZINC000225525685 568647103 /nfs/dbraw/zinc/64/71/03/568647103.db2.gz YMWHEKIPFFXMHZ-MRXNPFEDSA-N 0 0 411.439 2.509 50 0 HFAARN CCOC(=O)c1n[nH]c(C2CCN(C(=O)CCc3ccccc3OCC)CC2)n1 ZINC000225530764 568647688 /nfs/dbraw/zinc/64/76/88/568647688.db2.gz JBXYBXXAINFJRF-UHFFFAOYSA-N 0 0 400.479 2.719 50 0 HFAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1 ZINC000020893313 568648304 /nfs/dbraw/zinc/64/83/04/568648304.db2.gz VTQSYYPADHKGSD-UHFFFAOYSA-N 0 0 411.462 2.693 50 0 HFAARN C[C@@H]1CCC[C@@H](NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)[C@@H]1C ZINC000020901309 568649822 /nfs/dbraw/zinc/64/98/22/568649822.db2.gz LTIPWZYQUHCXAI-IIAWOOMASA-N 0 0 405.568 2.822 50 0 HFAARN CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)cc21 ZINC000020904556 568650867 /nfs/dbraw/zinc/65/08/67/568650867.db2.gz VIINSMBDDRQUKA-HNNXBMFYSA-N 0 0 423.604 2.783 50 0 HFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cccc(F)c1 ZINC000020921040 568650993 /nfs/dbraw/zinc/65/09/93/568650993.db2.gz JOFFBHOLWVHBPO-QGZVFWFLSA-N 0 0 423.462 2.694 50 0 HFAARN O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000225564420 568651708 /nfs/dbraw/zinc/65/17/08/568651708.db2.gz GYXXAPHROUXCHU-IBGZPJMESA-N 0 0 422.489 2.669 50 0 HFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)N1CCCCCC1 ZINC000020935807 568652366 /nfs/dbraw/zinc/65/23/66/568652366.db2.gz IJYQOSMELUVYTO-UHFFFAOYSA-N 0 0 417.462 2.582 50 0 HFAARN O=C(c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1)N1CCOCC1 ZINC000020938507 568652551 /nfs/dbraw/zinc/65/25/51/568652551.db2.gz FPYRXKTVJVBPFH-UHFFFAOYSA-N 0 0 416.481 2.959 50 0 HFAARN Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000020946602 568653379 /nfs/dbraw/zinc/65/33/79/568653379.db2.gz WTYRNXWIJXXNBW-UHFFFAOYSA-N 0 0 403.398 2.889 50 0 HFAARN O=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977689 568653854 /nfs/dbraw/zinc/65/38/54/568653854.db2.gz YQMYHOXXXBHAQH-UHFFFAOYSA-N 0 0 423.438 2.713 50 0 HFAARN CCOC(=O)c1cn(CC(=O)NCc2ccc(Cl)cc2)c2nc(C)ccc2c1=O ZINC000020986491 568655035 /nfs/dbraw/zinc/65/50/35/568655035.db2.gz DDJCLVVGEDUHEC-UHFFFAOYSA-N 0 0 413.861 2.851 50 0 HFAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)N1CCC2(CC1)OCCO2 ZINC000020993206 568656213 /nfs/dbraw/zinc/65/62/13/568656213.db2.gz KAABKILRSBFHRU-UHFFFAOYSA-N 0 0 411.483 2.559 50 0 HFAARN O=C(NCCc1ccccc1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000021000353 568657314 /nfs/dbraw/zinc/65/73/14/568657314.db2.gz MWZPUQQNCSSOEM-IBGZPJMESA-N 0 0 409.511 2.882 50 0 HFAARN O=C(Nc1ccnc(C(=O)N2CCC(O)CC2)c1)c1ccc(Br)cc1 ZINC000225617473 568657397 /nfs/dbraw/zinc/65/73/97/568657397.db2.gz WSAKDGJHXJGXAO-UHFFFAOYSA-N 0 0 404.264 2.693 50 0 HFAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCCC4=O)s3)C2)cc1 ZINC000021027862 568658880 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CCOc1ccc(CCC2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 ZINC000021073977 568661254 /nfs/dbraw/zinc/66/12/54/568661254.db2.gz GNRQOEOACDGDAH-UHFFFAOYSA-N 0 0 413.518 2.574 50 0 HFAARN COCCOc1ccc(NC(=O)N2CCN(c3cc(Cl)ncn3)CC2)cc1F ZINC000095942652 568662326 /nfs/dbraw/zinc/66/23/26/568662326.db2.gz HWNYNODAUFYICX-UHFFFAOYSA-N 0 0 409.849 2.648 50 0 HFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3([S@](C)=O)CC3)cc2)cc1C ZINC000225673445 568662722 /nfs/dbraw/zinc/66/27/22/568662722.db2.gz XJYWPHJKVUJCFR-MHZLTWQESA-N 0 0 420.556 2.745 50 0 HFAARN CCNc1cc(C(=O)NC[C@@]2(C)CCN(C(=O)c3ccnc(NCC)c3)C2)ccn1 ZINC000225686451 568664429 /nfs/dbraw/zinc/66/44/29/568664429.db2.gz BYRUSPWRYIBNNW-JOCHJYFZSA-N 0 0 410.522 2.622 50 0 HFAARN O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCc1ccc(Cl)cc1 ZINC000021097042 568665147 /nfs/dbraw/zinc/66/51/47/568665147.db2.gz FGULHQUBKPZJFL-UHFFFAOYSA-N 0 0 419.890 2.946 50 0 HFAARN Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000021116839 568668945 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/nfs/dbraw/zinc/70/84/28/568708428.db2.gz JPMOKVDDEUNDCL-KRWDZBQOSA-N 0 0 417.506 2.743 50 0 HFAARN O=C(NCc1cccc(Cl)c1)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021526894 568709465 /nfs/dbraw/zinc/70/94/65/568709465.db2.gz MNOGGXUHXCITHM-LJQANCHMSA-N 0 0 411.889 2.603 50 0 HFAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000018523575 568710410 /nfs/dbraw/zinc/71/04/10/568710410.db2.gz KMVKOIIERMECAH-GFCCVEGCSA-N 0 0 422.890 2.965 50 0 HFAARN CCc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc1 ZINC000021531331 568711054 /nfs/dbraw/zinc/71/10/54/568711054.db2.gz CDZFQWKCCJFRNI-UHFFFAOYSA-N 0 0 405.495 2.779 50 0 HFAARN COCCCNC(=O)CCC(=O)N1CCCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000021533150 568711660 /nfs/dbraw/zinc/71/16/60/568711660.db2.gz NJYXENUHEVOAKU-UHFFFAOYSA-N 0 0 423.517 2.711 50 0 HFAARN C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(=O)[nH]n21 ZINC000021537259 568712305 /nfs/dbraw/zinc/71/23/05/568712305.db2.gz KMRUTIZHJZMEAP-LBPRGKRZSA-N 0 0 401.467 2.717 50 0 HFAARN CCOC(=O)C1=C(COC(=O)C2(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000018531757 568715480 /nfs/dbraw/zinc/71/54/80/568715480.db2.gz FXKYXCJKQYZGTL-GOSISDBHSA-N 0 0 410.426 2.726 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2ccccc2)S1(=O)=O ZINC000012415329 568717577 /nfs/dbraw/zinc/71/75/77/568717577.db2.gz XPKBAXAHCDVWKQ-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN CC(C)(C)C(=O)Cn1cnc2c1c(=O)n(Cc1ccco1)c(=O)n2-c1ccccc1 ZINC000096281329 568718814 /nfs/dbraw/zinc/71/88/14/568718814.db2.gz WGVYEYZZVXBYPV-UHFFFAOYSA-N 0 0 406.442 2.605 50 0 HFAARN CSc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1 ZINC000012440081 568723319 /nfs/dbraw/zinc/72/33/19/568723319.db2.gz ZTWKQWONOBAYGC-UHFFFAOYSA-N 0 0 400.485 2.987 50 0 HFAARN CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000096310513 568724475 /nfs/dbraw/zinc/72/44/75/568724475.db2.gz XEDNRBIVRORRNQ-QGZVFWFLSA-N 0 0 409.534 2.903 50 0 HFAARN Cc1cc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)o2)nn1C ZINC000012443114 568725123 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O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000007982242 568963810 /nfs/dbraw/zinc/96/38/10/568963810.db2.gz DLOULRBDIWXHIB-SFTDATJTSA-N 0 0 416.477 2.984 50 0 HFAARN CCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C ZINC000007985971 568964662 /nfs/dbraw/zinc/96/46/62/568964662.db2.gz FGQKNIDLJNKCDB-UHFFFAOYSA-N 0 0 412.895 2.855 50 0 HFAARN CCOC(=O)C1CCN(C(=O)[C@@H](NC(=O)c2ccc(OCC)cc2)C(C)C)CC1 ZINC000007986691 568964910 /nfs/dbraw/zinc/96/49/10/568964910.db2.gz BWVPOWWBTLMVLZ-IBGZPJMESA-N 0 0 404.507 2.641 50 0 HFAARN O=C(NCCOc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000007987761 568965417 /nfs/dbraw/zinc/96/54/17/568965417.db2.gz USXQMKNZWDDTOW-AWEZNQCLSA-N 0 0 416.861 2.659 50 0 HFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000007990237 568966894 /nfs/dbraw/zinc/96/68/94/568966894.db2.gz RSOVYXXLLJWIFO-MOPGFXCFSA-N 0 0 420.465 2.919 50 0 HFAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000015680870 568967350 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568988952 /nfs/dbraw/zinc/98/89/52/568988952.db2.gz PMLPBFQSZNPOGN-UHFFFAOYSA-N 0 0 403.442 2.862 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)OC ZINC000012815067 568989386 /nfs/dbraw/zinc/98/93/86/568989386.db2.gz SRLGEKUERRKLLH-SGTLLEGYSA-N 0 0 412.417 2.944 50 0 HFAARN CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 ZINC000008313807 568989422 /nfs/dbraw/zinc/98/94/22/568989422.db2.gz PMXRXDZCCDLDKV-UHFFFAOYSA-N 0 0 417.466 2.886 50 0 HFAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC000012815319 568989546 /nfs/dbraw/zinc/98/95/46/568989546.db2.gz XOCAVSRGDWSFQQ-UHFFFAOYSA-N 0 0 422.547 2.536 50 0 HFAARN CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 ZINC000012816222 568989727 /nfs/dbraw/zinc/98/97/27/568989727.db2.gz MPBQGGKFDIZGON-UHFFFAOYSA-N 0 0 403.529 2.595 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC)cc1OC ZINC000008315821 568990059 /nfs/dbraw/zinc/99/00/59/568990059.db2.gz JJIRDGKKXNLDBA-UHFFFAOYSA-N 0 0 405.403 2.769 50 0 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Cn1nc(NC(=O)c2cc(=O)c3ccccc3o2)c2c1NC(=O)C[C@H]2c1ccco1 ZINC000038519865 568998221 /nfs/dbraw/zinc/99/82/21/568998221.db2.gz FHISCMLNPOZUJM-LBPRGKRZSA-N 0 0 404.382 2.846 50 0 HFAARN COc1ccc(C(=O)[C@@H]2[C@@H]3[C@@H](C(=O)[C@@H]4OC[C@H]3O4)[C@@H]3c4ccccc4C=CN32)cc1 ZINC000038573698 569001849 /nfs/dbraw/zinc/00/18/49/569001849.db2.gz BWEZJYRDDFXJQK-UNBWSWHHSA-N 0 0 403.434 2.844 50 0 biogenic HFAARN CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000006103237 569002607 /nfs/dbraw/zinc/00/26/07/569002607.db2.gz GNCOTPVUAZHMAV-UHFFFAOYSA-N 0 0 404.422 2.954 50 0 HFAARN COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2Br)c1 ZINC000067198121 569003167 /nfs/dbraw/zinc/00/31/67/569003167.db2.gz SZDSBZTWLNMTJN-UHFFFAOYSA-N 0 0 406.232 2.709 50 0 HFAARN O=C(Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O)NCCCc1ccccc1 ZINC000067197187 569003177 /nfs/dbraw/zinc/00/31/77/569003177.db2.gz GWNLNRRUZYTYJG-UHFFFAOYSA-N 0 0 417.465 2.554 50 0 HFAARN CC(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccccc2Br)c1 ZINC000067198433 569003278 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HFAARN CC[C@H]1c2ccccc2CCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000089949337 569269786 /nfs/dbraw/zinc/26/97/86/569269786.db2.gz AACNZFSMGCSDSQ-RDPSFJRHSA-N 0 0 421.497 2.998 50 0 HFAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000089980306 569271016 /nfs/dbraw/zinc/27/10/16/569271016.db2.gz CNCYBYXBKPVTAH-LEWJYISDSA-N 0 0 418.515 2.714 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1C ZINC000017010190 569271271 /nfs/dbraw/zinc/27/12/71/569271271.db2.gz ZBBQFFKQRKMSAW-UHFFFAOYSA-N 0 0 415.490 2.953 50 0 HFAARN Cc1cc(C)cc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000017010947 569271310 /nfs/dbraw/zinc/27/13/10/569271310.db2.gz JDJOXKXFLXTDSF-UHFFFAOYSA-N 0 0 401.463 2.645 50 0 HFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)C2=O)cc1 ZINC000017041252 569272289 /nfs/dbraw/zinc/27/22/89/569272289.db2.gz PYFIGAVZRXKEMS-SFHVURJKSA-N 0 0 421.497 2.876 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NC3CC3)c12 ZINC000017051355 569272490 /nfs/dbraw/zinc/27/24/90/569272490.db2.gz ZPOZQWCUJUMOGY-QGZVFWFLSA-N 0 0 424.526 2.967 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(C)cc3)cc(C(=O)NC3CC3)c12 ZINC000017051358 569272502 /nfs/dbraw/zinc/27/25/02/569272502.db2.gz ZPOZQWCUJUMOGY-KRWDZBQOSA-N 0 0 424.526 2.967 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000252007935 569272800 /nfs/dbraw/zinc/27/28/00/569272800.db2.gz QBDJJGBHPUPEBW-SFHLNBCPSA-N 0 0 414.594 2.746 50 0 HFAARN CC(C)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000017113678 569274977 /nfs/dbraw/zinc/27/49/77/569274977.db2.gz WNHNWELGWCZIKS-UHFFFAOYSA-N 0 0 416.543 2.693 50 0 HFAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(F)c2)c1 ZINC000017135600 569275381 /nfs/dbraw/zinc/27/53/81/569275381.db2.gz VJRAPEAGMJICBC-UHFFFAOYSA-N 0 0 423.473 2.975 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000002869364 569278136 /nfs/dbraw/zinc/27/81/36/569278136.db2.gz XGSJJLRRNXQIRF-LLVKDONJSA-N 0 0 413.293 2.763 50 0 HFAARN CCc1cccc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003548704 569278474 /nfs/dbraw/zinc/27/84/74/569278474.db2.gz OYIRSBDBXVMAOI-UHFFFAOYSA-N 0 0 418.515 2.839 50 0 HFAARN CN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170636955 569279612 /nfs/dbraw/zinc/27/96/12/569279612.db2.gz HNXMRFFSBDYNOJ-FCJILENJSA-N 0 0 419.566 2.785 50 0 HFAARN CCOc1ccc(-c2nc3s/c(=C\c4cc(OC)ccc4OC)c(=O)n3n2)cc1 ZINC000006355367 569279865 /nfs/dbraw/zinc/27/98/65/569279865.db2.gz UEXLQEWTJDKWNQ-PDGQHHTCSA-N 0 0 409.467 2.782 50 0 HFAARN CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002087599 569279873 /nfs/dbraw/zinc/27/98/73/569279873.db2.gz UAFNNBQSAKQZKQ-SXLOBPIMSA-N 0 0 407.514 2.639 50 0 biogenic HFAARN CCN(CCC(=O)NCCOc1cccc(C)c1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170638042 569280157 /nfs/dbraw/zinc/28/01/57/569280157.db2.gz WUKRDAFRUHXKOH-UHFFFAOYSA-N 0 0 422.529 2.947 50 0 HFAARN COCCN1CC(=O)N2[C@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002113566 569284205 /nfs/dbraw/zinc/28/42/05/569284205.db2.gz YLBJKRLISOVKMG-WMZHIEFXSA-N 0 0 419.481 2.508 50 0 biogenic HFAARN O=C1CN(CCCO)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N12 ZINC000002116777 569284612 /nfs/dbraw/zinc/28/46/12/569284612.db2.gz OBWWTFNJSPIKTI-UGKGYDQZSA-N 0 0 423.900 2.889 50 0 biogenic HFAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002121459 569285635 /nfs/dbraw/zinc/28/56/35/569285635.db2.gz DUMQOXHYOYEYFW-GGXPGOJBSA-N 0 0 403.523 2.733 50 0 biogenic HFAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000252444161 569286047 /nfs/dbraw/zinc/28/60/47/569286047.db2.gz HDOISSPFFFPQIN-VBKZILBWSA-N 0 0 415.519 2.575 50 0 HFAARN O=C(N[C@H](CO)Cc1ccccc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000252478097 569288738 /nfs/dbraw/zinc/28/87/38/569288738.db2.gz ADGCGQMXNJKKBS-CBNMVNINSA-N 0 0 419.525 2.923 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000004027331 569289062 /nfs/dbraw/zinc/28/90/62/569289062.db2.gz LCLXBNDAOUUZSN-VQTJNVASSA-N 0 0 412.486 2.838 50 0 biogenic HFAARN O=C(c1cc(-c2cccs2)on1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000252490965 569290386 /nfs/dbraw/zinc/29/03/86/569290386.db2.gz LGSLSTUPGJAKNB-UHFFFAOYSA-N 0 0 411.487 2.534 50 0 HFAARN Cc1ccc(C)c(N2CCn3c4c(nc32)n(C)c(=O)n(Cc2ccccc2F)c4=O)c1 ZINC000010104773 569291215 /nfs/dbraw/zinc/29/12/15/569291215.db2.gz BMUSHALGFYRZOD-UHFFFAOYSA-N 0 0 419.460 2.853 50 0 HFAARN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000252513908 569292180 /nfs/dbraw/zinc/29/21/80/569292180.db2.gz ARFBMCCHJDKFLG-XAUMDUMWSA-N 0 0 416.518 2.768 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1F)C(=O)OC ZINC000252517656 569292362 /nfs/dbraw/zinc/29/23/62/569292362.db2.gz ODNIKYXMQGDJFM-LIXBPZJASA-N 0 0 406.433 2.933 50 0 HFAARN CN(C)C(=O)CN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000007607869 569295309 /nfs/dbraw/zinc/29/53/09/569295309.db2.gz FGJYTQOLYZNABB-QGZVFWFLSA-N 0 0 402.882 2.631 50 0 HFAARN CCN1CCN(C(=O)c2ccccc2Cn2ccs/c2=N\C(=O)c2ccco2)CC1 ZINC000037435924 569299242 /nfs/dbraw/zinc/29/92/42/569299242.db2.gz IGWNNJMBIDLYIF-FCQUAONHSA-N 0 0 424.526 2.710 50 0 HFAARN COCCNC(=O)c1ccc(Cn2c(C)cs/c2=N\C(=O)c2cccc(C)c2)o1 ZINC000037437483 569299380 /nfs/dbraw/zinc/29/93/80/569299380.db2.gz VPXKITQJBKNGPB-LNVKXUELSA-N 0 0 413.499 2.925 50 0 HFAARN CCC(=O)N(c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1)C1CC1 ZINC000007672893 569300050 /nfs/dbraw/zinc/30/00/50/569300050.db2.gz ZLNLHEDTVXHOCE-UHFFFAOYSA-N 0 0 406.489 2.903 50 0 HFAARN CN(CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000007689977 569300922 /nfs/dbraw/zinc/30/09/22/569300922.db2.gz SCORIQQXMADXKT-UHFFFAOYSA-N 0 0 401.532 2.727 50 0 HFAARN COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccccc1Br ZINC000007704849 569301502 /nfs/dbraw/zinc/30/15/02/569301502.db2.gz GKGPKYLUAVOGBQ-UHFFFAOYSA-N 0 0 416.293 2.953 50 0 HFAARN CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N(C)C ZINC000007709880 569301654 /nfs/dbraw/zinc/30/16/54/569301654.db2.gz CRGNTANCYREBLK-UHFFFAOYSA-N 0 0 418.924 2.790 50 0 HFAARN COc1cc(OC)cc([C@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccccc2)c1 ZINC000007716651 569301926 /nfs/dbraw/zinc/30/19/26/569301926.db2.gz MUIQCTUWFWAALU-VQTJNVASSA-N 0 0 420.469 2.628 50 0 HFAARN O=C(COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)Nc1ccc2c(c1)CCC2 ZINC000007736611 569305086 /nfs/dbraw/zinc/30/50/86/569305086.db2.gz DJGAHLCWFJLQQM-FQEVSTJZSA-N 0 0 406.482 2.748 50 0 HFAARN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Br)cc2)nc1N ZINC000003153714 569323029 /nfs/dbraw/zinc/32/30/29/569323029.db2.gz ZLERSOGXELUZEO-UHFFFAOYSA-N 0 0 411.281 2.729 50 0 HFAARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c(C)o1 ZINC000007746766 569306337 /nfs/dbraw/zinc/30/63/37/569306337.db2.gz AHINHGXIIOIOLG-AWEZNQCLSA-N 0 0 408.476 2.767 50 0 HFAARN COc1cccc(Cn2cnc3c2c(=O)n(CC2CC2)c(=O)n3-c2ccc(F)cc2)c1 ZINC000037558863 569306550 /nfs/dbraw/zinc/30/65/50/569306550.db2.gz BECZNIJORHZDJE-UHFFFAOYSA-N 0 0 420.444 2.955 50 0 HFAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)OC)cc2)n(-c2ccccc2C)c1=O ZINC000037560617 569307077 /nfs/dbraw/zinc/30/70/77/569307077.db2.gz RYRMGBJXOQIZGU-UHFFFAOYSA-N 0 0 418.453 2.512 50 0 HFAARN CCOc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(OCC)c1OCC ZINC000007758220 569307196 /nfs/dbraw/zinc/30/71/96/569307196.db2.gz XLARLLLIFUPWCS-UHFFFAOYSA-N 0 0 419.478 2.782 50 0 HFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(Cc1cccc(S(=O)(=O)N(C)C)c1)C2=O ZINC000007779300 569309276 /nfs/dbraw/zinc/30/92/76/569309276.db2.gz DYBWCMNCOCLOCX-VLIAUNLRSA-N 0 0 407.536 2.574 50 0 HFAARN C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(Cl)c(Cl)c1 ZINC000007786022 569310378 /nfs/dbraw/zinc/31/03/78/569310378.db2.gz XEDFKBUOJOEEON-JTQLQIEISA-N 0 0 400.287 2.668 50 0 HFAARN Cc1ccc(-c2noc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)n2)cc1 ZINC000007814524 569312575 /nfs/dbraw/zinc/31/25/75/569312575.db2.gz LPRXNZSBHMNHDI-QKKBWIMNSA-N 0 0 412.446 2.589 50 0 HFAARN Cc1ccc(-c2noc(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)n2)cc1 ZINC000007814525 569312577 /nfs/dbraw/zinc/31/25/77/569312577.db2.gz LPRXNZSBHMNHDI-LHSJRXKWSA-N 0 0 412.446 2.589 50 0 HFAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)N1CCOCC1 ZINC000007814703 569312578 /nfs/dbraw/zinc/31/25/78/569312578.db2.gz OKWXUDSZOZDMTO-HNNXBMFYSA-N 0 0 404.488 2.988 50 0 HFAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cc(C)on3)C2=O)cc1 ZINC000007826530 569313315 /nfs/dbraw/zinc/31/33/15/569313315.db2.gz GEKIXEJYSBHCII-UHFFFAOYSA-N 0 0 407.426 2.996 50 0 HFAARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)NC1CC1 ZINC000007830562 569313473 /nfs/dbraw/zinc/31/34/73/569313473.db2.gz CJHWACJUAFYXTC-LBPRGKRZSA-N 0 0 406.529 2.957 50 0 HFAARN C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000007876687 569314991 /nfs/dbraw/zinc/31/49/91/569314991.db2.gz LMDRTUROUNRDMR-JTQLQIEISA-N 0 0 414.516 2.955 50 0 HFAARN CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000196624860 569317303 /nfs/dbraw/zinc/31/73/03/569317303.db2.gz SOEQWLAFMILYLZ-FQEVSTJZSA-N 0 0 411.889 2.997 50 0 HFAARN O=C(CN1CC=C(c2ccccc2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000007913112 569321655 /nfs/dbraw/zinc/32/16/55/569321655.db2.gz VTSVLQKRCHSCDH-NRFANRHFSA-N 0 0 402.560 2.734 50 0 HFAARN COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(N)=O)cc1 ZINC000002706316 569322301 /nfs/dbraw/zinc/32/23/01/569322301.db2.gz LOAJHYAREFOXCX-UHFFFAOYSA-N 0 0 416.532 2.552 50 0 HFAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002249897 569324520 /nfs/dbraw/zinc/32/45/20/569324520.db2.gz DASKTVMHRHOFHY-GOSISDBHSA-N 0 0 421.428 2.607 50 0 HFAARN CCNc1nc(NC(C)C)nc(Oc2ccc(C(=O)O[C@@H](C)C(=O)OC)cc2)n1 ZINC000002266983 569325839 /nfs/dbraw/zinc/32/58/39/569325839.db2.gz XVZFCGXWEAOALL-LBPRGKRZSA-N 0 0 403.439 2.634 50 0 HFAARN COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)ccc1O ZINC000015956880 569357167 /nfs/dbraw/zinc/35/71/67/569357167.db2.gz USKDJLYEQAFBEQ-OFAXGOBFSA-N 0 0 414.502 2.978 50 0 biogenic HFAARN BrC1=C[C@@H]2[C@@H]([C@@H]3C=C[C@@]2(Br)[C@@H]3C2OCCO2)C12OCCO2 ZINC000019909122 569357514 /nfs/dbraw/zinc/35/75/14/569357514.db2.gz UQAUDBBKHNHHEV-ACXKUBNZSA-N 0 0 420.097 2.577 50 0 HFAARN O=C(c1cccnc1O[C@@H]1CCOC1)N1CCN(c2nsc3ccccc32)CC1 ZINC000253408209 569366236 /nfs/dbraw/zinc/36/62/36/569366236.db2.gz XETLQVUGYWKLTD-OAHLLOKOSA-N 0 0 410.499 2.821 50 0 HFAARN O=C(Nc1cc(NC(=O)[C@H]2CCCOC2)nc(-c2ccccc2)n1)[C@H]1CCCOC1 ZINC000253426913 569368275 /nfs/dbraw/zinc/36/82/75/569368275.db2.gz JDBKXBCQENLQQN-IRXDYDNUSA-N 0 0 410.474 2.874 50 0 HFAARN Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000253429580 569368432 /nfs/dbraw/zinc/36/84/32/569368432.db2.gz TTXMPCOYUDPFLC-IRXDYDNUSA-N 0 0 411.506 2.905 50 0 HFAARN CC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)CC1 ZINC000253430846 569369737 /nfs/dbraw/zinc/36/97/37/569369737.db2.gz GCKLUODBYOIHNV-UHFFFAOYSA-N 0 0 408.545 2.932 50 0 HFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCC2(CC1)OCCO2 ZINC000002312391 569373967 /nfs/dbraw/zinc/37/39/67/569373967.db2.gz WBONJYDMRPNPAN-ZDUSSCGKSA-N 0 0 419.453 2.650 50 0 HFAARN COCCOC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002318674 569374357 /nfs/dbraw/zinc/37/43/57/569374357.db2.gz PTSWGISLVNJILB-UHFFFAOYSA-N 0 0 422.441 2.976 50 0 HFAARN COC(=O)c1cc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc(C(=O)OC)c1 ZINC000002334466 569375856 /nfs/dbraw/zinc/37/58/56/569375856.db2.gz GCVCDJDJQNGEHC-QGZVFWFLSA-N 0 0 401.371 2.558 50 0 HFAARN O=S(=O)(N[C@H](Cn1nccn1)c1ccccc1)c1ccccc1Br ZINC000253471476 569381044 /nfs/dbraw/zinc/38/10/44/569381044.db2.gz CSIKBORKOVTTEE-OAHLLOKOSA-N 0 0 407.293 2.760 50 0 HFAARN CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NCc1cccc(Cl)c1 ZINC000007938996 569385204 /nfs/dbraw/zinc/38/52/04/569385204.db2.gz CBVGEOURFZZMFX-UHFFFAOYSA-N 0 0 420.918 2.994 50 0 HFAARN COC(=O)[C@@](NC(=O)c1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002356220 569385340 /nfs/dbraw/zinc/38/53/40/569385340.db2.gz NNTIVMMUUKZIBA-QGZVFWFLSA-N 0 0 414.767 2.931 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1nnc2ccc(OC)nn21 ZINC000252484617 569387564 /nfs/dbraw/zinc/38/75/64/569387564.db2.gz GARLLEHHPHEWOZ-KRWDZBQOSA-N 0 0 420.473 2.749 50 0 HFAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225429229 569396034 /nfs/dbraw/zinc/39/60/34/569396034.db2.gz YECKMWXNBPKWBJ-CVEARBPZSA-N 0 0 405.502 2.821 50 0 biogenic HFAARN COc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000012492191 569401628 /nfs/dbraw/zinc/40/16/28/569401628.db2.gz CUJFWUXYWYNNLM-WJDWOHSUSA-N 0 0 411.439 2.852 50 0 HFAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccnc1 ZINC000037866374 569403233 /nfs/dbraw/zinc/40/32/33/569403233.db2.gz ZXWPSQHMWUTNIF-LJQANCHMSA-N 0 0 417.465 2.662 50 0 HFAARN O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000012914475 569404899 /nfs/dbraw/zinc/40/48/99/569404899.db2.gz RWSMTLINFJFDLP-VAWYXSNFSA-N 0 0 415.497 2.761 50 0 HFAARN CCOc1ccc(C(C)=O)cc1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000013040102 569407829 /nfs/dbraw/zinc/40/78/29/569407829.db2.gz CRUYZDCWADPWSJ-UHFFFAOYSA-N 0 0 420.506 2.934 50 0 HFAARN Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C ZINC000013070394 569408559 /nfs/dbraw/zinc/40/85/59/569408559.db2.gz RHLGJGQTKYMMSY-HNNXBMFYSA-N 0 0 404.488 2.770 50 0 HFAARN O=C1c2ccccc2C(=O)N1CCn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000013148020 569410069 /nfs/dbraw/zinc/41/00/69/569410069.db2.gz OQSSIJUPJROAAT-UHFFFAOYSA-N 0 0 419.828 2.532 50 0 HFAARN O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002456892 569411725 /nfs/dbraw/zinc/41/17/25/569411725.db2.gz FJFOZCNABLHLCM-UHFFFAOYSA-N 0 0 404.473 2.835 50 0 HFAARN O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000078603662 569414471 /nfs/dbraw/zinc/41/44/71/569414471.db2.gz ZVLNOHUQHREKSO-MSOLQXFVSA-N 0 0 410.486 2.956 50 0 HFAARN O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000078603663 569414507 /nfs/dbraw/zinc/41/45/07/569414507.db2.gz ZVLNOHUQHREKSO-QZTJIDSGSA-N 0 0 410.486 2.956 50 0 HFAARN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000078821968 569420640 /nfs/dbraw/zinc/42/06/40/569420640.db2.gz TXHAPOIPEDLPPY-SWLSCSKDSA-N 0 0 405.486 2.593 50 0 HFAARN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000078821955 569420671 /nfs/dbraw/zinc/42/06/71/569420671.db2.gz TXHAPOIPEDLPPY-IUODEOHRSA-N 0 0 405.486 2.593 50 0 HFAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)c(Cl)c1 ZINC000078902703 569421520 /nfs/dbraw/zinc/42/15/20/569421520.db2.gz AIINASKLUANMLR-UHFFFAOYSA-N 0 0 405.867 2.988 50 0 HFAARN C[C@H]1Sc2ccccc2N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H]1C ZINC000079025813 569424899 /nfs/dbraw/zinc/42/48/99/569424899.db2.gz MNSHZVKLIKASQC-UONOGXRCSA-N 0 0 415.544 2.955 50 0 HFAARN Cc1nc(C2(NC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CCCCCC2)no1 ZINC000079046489 569425164 /nfs/dbraw/zinc/42/51/64/569425164.db2.gz BNAXTLLVFSDLFL-UHFFFAOYSA-N 0 0 421.523 3.000 50 0 HFAARN CCC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000079048661 569425460 /nfs/dbraw/zinc/42/54/60/569425460.db2.gz ORAZSNASKSWAIO-QGZVFWFLSA-N 0 0 413.503 2.676 50 0 HFAARN CC(C)[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)N1CCOCC1 ZINC000079059570 569426151 /nfs/dbraw/zinc/42/61/51/569426151.db2.gz HCCRLEXOOBFATE-KRWDZBQOSA-N 0 0 407.559 2.941 50 0 HFAARN O=C(CN1C[C@@H](CO)Oc2ccccc21)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000079106774 569427695 /nfs/dbraw/zinc/42/76/95/569427695.db2.gz QWTVNCSTKHGUHW-KRWDZBQOSA-N 0 0 412.877 2.783 50 0 HFAARN COCc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(C(C)(C)C)n1 ZINC000079106256 569427738 /nfs/dbraw/zinc/42/77/38/569427738.db2.gz ZKBASXMUSIVFKJ-UHFFFAOYSA-N 0 0 422.526 2.571 50 0 HFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(C)c3)C2)cc1 ZINC000079112482 569428269 /nfs/dbraw/zinc/42/82/69/569428269.db2.gz ZGBDSJFSWWXREX-IBGZPJMESA-N 0 0 421.544 2.867 50 0 HFAARN COCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)cc2)n1 ZINC000079474345 569431361 /nfs/dbraw/zinc/43/13/61/569431361.db2.gz ZKIRZWMUXURJPQ-QGZVFWFLSA-N 0 0 421.505 2.880 50 0 HFAARN O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@@H]1COc2ccccc2O1 ZINC000079476375 569431469 /nfs/dbraw/zinc/43/14/69/569431469.db2.gz CWMMEVWXSGNZOE-GFCCVEGCSA-N 0 0 417.263 2.609 50 0 HFAARN O=C(CCc1nc2cc(Br)cnc2[nH]1)NC[C@H]1COc2ccccc2O1 ZINC000079476371 569431527 /nfs/dbraw/zinc/43/15/27/569431527.db2.gz CWMMEVWXSGNZOE-LBPRGKRZSA-N 0 0 417.263 2.609 50 0 HFAARN O=C(Nc1ncc[nH]1)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000079483739 569432028 /nfs/dbraw/zinc/43/20/28/569432028.db2.gz CMEOKTDGXVMYGD-UHFFFAOYSA-N 0 0 415.226 2.962 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 ZINC000079490139 569432522 /nfs/dbraw/zinc/43/25/22/569432522.db2.gz OIBNBSFWDBWQNN-AWEZNQCLSA-N 0 0 403.508 2.511 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC ZINC000004763880 571045187 /nfs/dbraw/zinc/04/51/87/571045187.db2.gz LTJQSTNUVQFFAX-UAGQMJEPSA-N 0 0 410.536 2.738 50 0 HFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1nc(-c2cccs2)oc1=O ZINC000053024561 571046166 /nfs/dbraw/zinc/04/61/66/571046166.db2.gz CXNQGXJJKOQSID-UHFFFAOYSA-N 0 0 403.460 2.631 50 0 HFAARN CC(C)CCNC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O ZINC000067255353 571055879 /nfs/dbraw/zinc/05/58/79/571055879.db2.gz NLCJYNLMHMECDZ-UHFFFAOYSA-N 0 0 419.938 2.999 50 0 HFAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccncc1 ZINC000067261685 571060299 /nfs/dbraw/zinc/06/02/99/571060299.db2.gz DSZQMXVQDIAZKL-UHFFFAOYSA-N 0 0 413.275 2.774 50 0 HFAARN COc1ccc(C)cc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000008491661 571061426 /nfs/dbraw/zinc/06/14/26/571061426.db2.gz OHUIFSDKQCPQPY-UHFFFAOYSA-N 0 0 413.499 2.803 50 0 HFAARN COc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1 ZINC000067300901 571073943 /nfs/dbraw/zinc/07/39/43/571073943.db2.gz FXLOJXQJCPZGFV-UHFFFAOYSA-N 0 0 411.433 2.540 50 0 HFAARN Cc1ccccc1-n1ccn(CC(=O)Nc2cccc(Br)c2)c(=O)c1=O ZINC000067320652 571077235 /nfs/dbraw/zinc/07/72/35/571077235.db2.gz UDUPONAXPICOEM-UHFFFAOYSA-N 0 0 414.259 2.709 50 0 HFAARN CCOc1ccc(S(=O)(=O)C(=CNc2ccc3c(c2)OCO3)C(=O)OC)cc1 ZINC000067340341 571080829 /nfs/dbraw/zinc/08/08/29/571080829.db2.gz NHHDJIDFEIRCBA-WOJGMQOQSA-N 0 0 405.428 2.714 50 0 HFAARN Cc1cccc(CSCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000008590533 571085098 /nfs/dbraw/zinc/08/50/98/571085098.db2.gz MPZZGVHCBKJSPJ-UHFFFAOYSA-N 0 0 421.588 2.657 50 0 HFAARN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Br)cc2)Oc2ccccc21 ZINC000038834030 571085385 /nfs/dbraw/zinc/08/53/85/571085385.db2.gz ALDDMSYJFXGTQS-HNNXBMFYSA-N 0 0 411.277 2.615 50 0 HFAARN Cc1ccccc1CNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038848751 571086717 /nfs/dbraw/zinc/08/67/17/571086717.db2.gz UOBXKEPZQRJSCM-SFHVURJKSA-N 0 0 408.907 2.882 50 0 HFAARN CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000008598807 571088878 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CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1cc2cc(OC)ccc2[nH]c1=O ZINC000071280506 571290627 /nfs/dbraw/zinc/29/06/27/571290627.db2.gz SJFHTZNKOUJJBC-CQSZACIVSA-N 0 0 410.430 2.728 50 0 HFAARN Cn1c(SCC(=O)NC(N)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000009944383 571291267 /nfs/dbraw/zinc/29/12/67/571291267.db2.gz IKYCHIBGAXFMAA-NSHDSACASA-N 0 0 407.565 2.982 50 0 HFAARN COc1ccc([C@@]2(C)NC(=O)N(CCOc3ccccc3C(C)=O)C2=O)cc1OC ZINC000009951216 571291410 /nfs/dbraw/zinc/29/14/10/571291410.db2.gz PCFPDOARHXSUAH-JOCHJYFZSA-N 0 0 412.442 2.752 50 0 HFAARN CCOc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)cc1 ZINC000071327406 571292146 /nfs/dbraw/zinc/29/21/46/571292146.db2.gz ZXWFPRDKDMKJNZ-UHFFFAOYSA-N 0 0 411.437 2.693 50 0 HFAARN COc1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000071327804 571292363 /nfs/dbraw/zinc/29/23/63/571292363.db2.gz IIQNSTVMRNIEFT-UHFFFAOYSA-N 0 0 411.458 2.719 50 0 HFAARN COc1ccc(C2=NC(C)(C)N(CC(=O)N3CCOc4ccc(C)cc43)C2=O)cc1 ZINC000071327831 571292370 /nfs/dbraw/zinc/29/23/70/571292370.db2.gz MBUXCGHSUUGMIZ-UHFFFAOYSA-N 0 0 407.470 2.797 50 0 HFAARN COc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O ZINC000071328271 571292651 /nfs/dbraw/zinc/29/26/51/571292651.db2.gz SDTKSEHQDBBQMO-UHFFFAOYSA-N 0 0 405.414 2.710 50 0 HFAARN Cc1c(C(=O)OCCCn2c(=O)[nH]c3ccccc32)sc2nc3n(c(=O)c12)CCC3 ZINC000009987178 571293745 /nfs/dbraw/zinc/29/37/45/571293745.db2.gz MFMGCIWWDOOUQA-UHFFFAOYSA-N 0 0 424.482 2.603 50 0 HFAARN CC(C)[C@H](NC(=O)CSc1nc2ncccn2n1)c1ccc2c(c1)OCCCO2 ZINC000010076816 571294892 /nfs/dbraw/zinc/29/48/92/571294892.db2.gz RDCCRUIZZVDIRL-SFHVURJKSA-N 0 0 413.503 2.891 50 0 HFAARN Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1C ZINC000010104736 571295043 /nfs/dbraw/zinc/29/50/43/571295043.db2.gz UMNVYUPNWUQDLO-UHFFFAOYSA-N 0 0 401.470 2.714 50 0 HFAARN CCOc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010232616 571297447 /nfs/dbraw/zinc/29/74/47/571297447.db2.gz CSFWWOUYIAPISB-IBGZPJMESA-N 0 0 417.429 2.943 50 0 HFAARN Cc1ccc(-n2ncc3c2ncn(NC(=O)CSCc2ccccc2)c3=O)cc1 ZINC000010251610 571298256 /nfs/dbraw/zinc/29/82/56/571298256.db2.gz DVEMKROIHJCVAS-UHFFFAOYSA-N 0 0 405.483 2.894 50 0 HFAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@H]1CCCCNC1=O ZINC000010258986 571298746 /nfs/dbraw/zinc/29/87/46/571298746.db2.gz KMYUZXIPJJZSCJ-BBRMVZONSA-N 0 0 408.499 2.964 50 0 HFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc(OC)cc2)n2nnnc2N3)cc1 ZINC000010295247 571299546 /nfs/dbraw/zinc/29/95/46/571299546.db2.gz LRMSOGWFIKQCMD-SFHVURJKSA-N 0 0 403.402 2.548 50 0 HFAARN COc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)c(OC)c1 ZINC000071768363 571299836 /nfs/dbraw/zinc/29/98/36/571299836.db2.gz JGMGSBFWKGSFCE-UHFFFAOYSA-N 0 0 420.429 2.573 50 0 HFAARN COc1ccc(CNC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1OC ZINC000071769064 571300043 /nfs/dbraw/zinc/30/00/43/571300043.db2.gz CNEFVUCGKNTWRV-UHFFFAOYSA-N 0 0 413.449 2.527 50 0 HFAARN Cc1cc(NC(=O)CSc2ccc3c(c2)CCC3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000010346277 571301124 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CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1 ZINC000003343287 132265046 /nfs/dbraw/zinc/26/50/46/132265046.db2.gz BTYYCHMKQZWYRV-KRWDZBQOSA-N 0 0 409.486 2.914 50 0 HFAARN O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000004375158 132276132 /nfs/dbraw/zinc/27/61/32/132276132.db2.gz RVWFADUHFHOQPJ-UHFFFAOYSA-N 0 0 402.444 2.696 50 0 HFAARN COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000004904430 132292634 /nfs/dbraw/zinc/29/26/34/132292634.db2.gz DYWSPIFIAADJFA-NRFANRHFSA-N 0 0 413.449 2.685 50 0 HFAARN CCOC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)CC)cc32)CC1 ZINC000004915697 132293968 /nfs/dbraw/zinc/29/39/68/132293968.db2.gz YLXMDRPICSQDFK-UHFFFAOYSA-N 0 0 416.518 2.901 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1C ZINC000005099704 132301301 /nfs/dbraw/zinc/30/13/01/132301301.db2.gz USSLIWGMNOVJSI-UHFFFAOYSA-N 0 0 410.517 2.517 50 0 HFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005263989 132304423 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Cc1nc(Cc2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)cs1 ZINC000007174141 132322691 /nfs/dbraw/zinc/32/26/91/132322691.db2.gz ZXKWVCZYEOKYHC-SNVBAGLBSA-N 0 0 415.500 2.891 50 0 HFAARN COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000007220387 132323009 /nfs/dbraw/zinc/32/30/09/132323009.db2.gz QXOXSHPHXBYZHS-QGZVFWFLSA-N 0 0 413.518 2.999 50 0 HFAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000007251825 132323228 /nfs/dbraw/zinc/32/32/28/132323228.db2.gz KQAOGGOTBZLGDZ-NRFANRHFSA-N 0 0 423.469 2.634 50 0 HFAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccc2)CC1 ZINC000007359581 132324071 /nfs/dbraw/zinc/32/40/71/132324071.db2.gz MPZZALVSGSKFNQ-UHFFFAOYSA-N 0 0 416.407 2.708 50 0 HFAARN O=C(CN1C(=O)COc2ccccc21)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000007460769 132324635 /nfs/dbraw/zinc/32/46/35/132324635.db2.gz WHHJPEHFTSLXEI-UHFFFAOYSA-N 0 0 401.850 2.541 50 0 HFAARN Cc1cc2nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c3ccccc3n2n1 ZINC000007737470 132325617 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2.736 50 0 HFAARN CCCc1cc2c(nc(C)n(NC(=O)c3c(Br)c(C)nn3C)c2=O)s1 ZINC000002778984 557761214 /nfs/dbraw/zinc/76/12/14/557761214.db2.gz SKUOOMJIMITOBA-UHFFFAOYSA-N 0 0 424.324 2.907 50 0 HFAARN CCn1cc(NC(=O)[C@@H](C)n2ncc(Cl)c2C)c(C(=O)NCc2ccco2)n1 ZINC000002800688 557762873 /nfs/dbraw/zinc/76/28/73/557762873.db2.gz PWNIBXQQFANNGX-GFCCVEGCSA-N 0 0 404.858 2.784 50 0 HFAARN COc1ccc(/C=c2/sc3nc4cc(Br)cnc4n3c2=O)c(OC)c1 ZINC000002916240 557769834 /nfs/dbraw/zinc/76/98/34/557769834.db2.gz VOOIYZWVVKKMMC-LHHJGKSTSA-N 0 0 418.272 2.632 50 0 HFAARN CCOC(=O)N1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697128 557783983 /nfs/dbraw/zinc/78/39/83/557783983.db2.gz WGZJHROVOZHOJH-FQEVSTJZSA-N 0 0 417.481 2.885 50 0 HFAARN CC(=O)c1cccc(NC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)c1 ZINC000008587771 557795862 /nfs/dbraw/zinc/79/58/62/557795862.db2.gz RRYJQFQEGVACJY-UHFFFAOYSA-N 0 0 401.419 2.530 50 0 HFAARN O=C(Cn1cnc2sccc2c1=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008745066 557804565 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HFAARN COc1ccc(NC(=O)CN2CCN(Cc3cccc(C)c3)S2(=O)=O)cc1Cl ZINC000009224603 557829794 /nfs/dbraw/zinc/82/97/94/557829794.db2.gz REJBOVCLBHMNQH-UHFFFAOYSA-N 0 0 423.922 2.658 50 0 HFAARN CS(=O)(=O)N(CCCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000009226355 557830300 /nfs/dbraw/zinc/83/03/00/557830300.db2.gz NKILVTVQOLJIKV-UHFFFAOYSA-N 0 0 424.906 2.931 50 0 HFAARN COc1cc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc(OC)c1 ZINC000009321027 557836574 /nfs/dbraw/zinc/83/65/74/557836574.db2.gz DLYGXROQBGNWSN-UHFFFAOYSA-N 0 0 404.426 2.819 50 0 HFAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ccn3n2)cc1 ZINC000009321093 557836799 /nfs/dbraw/zinc/83/67/99/557836799.db2.gz DNLUSMHPPFWZRW-UHFFFAOYSA-N 0 0 402.410 2.839 50 0 HFAARN COC(=O)c1sc2ncccc2c1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000009482445 557844016 /nfs/dbraw/zinc/84/40/16/557844016.db2.gz FZOUKAWWCRMTEL-UHFFFAOYSA-N 0 0 404.469 2.804 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C(=O)N1CCOCC1 ZINC000009526112 557845081 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COc1ccc([C@@H]2c3c(-c4cccc(OC)c4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010296777 557858483 /nfs/dbraw/zinc/85/84/83/557858483.db2.gz FKFOYXYTDWPNMX-GOSISDBHSA-N 0 0 403.402 2.548 50 0 HFAARN O=c1[nH]nc(-c2ccco2)c2c1Nc1nnnn1[C@H]2c1ccc(Br)cc1 ZINC000010297496 557858689 /nfs/dbraw/zinc/85/86/89/557858689.db2.gz DIZTXMJPAWDHAM-AWEZNQCLSA-N 0 0 412.207 2.886 50 0 HFAARN COc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2cccc(F)c2)n2nnnc2N3)cc1OC ZINC000010297185 557858768 /nfs/dbraw/zinc/85/87/68/557858768.db2.gz WJAFXOWYCJSBBN-SFHVURJKSA-N 0 0 421.392 2.687 50 0 HFAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc2c(c1)OCO2 ZINC000004328067 558260093 /nfs/dbraw/zinc/26/00/93/558260093.db2.gz QDUAEHPCWNUSMZ-UHFFFAOYSA-N 0 0 406.427 2.646 50 0 HFAARN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CN2CCC(O)CC2)C1 ZINC000011662821 558266479 /nfs/dbraw/zinc/26/64/79/558266479.db2.gz XWPKUAIHSCYGNM-LJQANCHMSA-N 0 0 400.498 2.598 50 0 HFAARN Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CCn3c(C)nc4ccccc43)C2)no1 ZINC000011665348 558268720 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CC[C@]1(C)NC(=O)N(CC(=O)NC2(c3cccc(Br)c3)CCC2)C1=O ZINC000059919792 558939864 /nfs/dbraw/zinc/93/98/64/558939864.db2.gz ICNKAJHMOBGCIW-KRWDZBQOSA-N 0 0 408.296 2.665 50 0 HFAARN Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccccc2Br)c1 ZINC000060376668 558942330 /nfs/dbraw/zinc/94/23/30/558942330.db2.gz YWHFVXYLFHPTCG-UHFFFAOYSA-N 0 0 412.244 2.673 50 0 HFAARN O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000061720902 558946650 /nfs/dbraw/zinc/94/66/50/558946650.db2.gz WRXWKDIDKZWFTN-UHFFFAOYSA-N 0 0 400.910 2.514 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000019620092 558947027 /nfs/dbraw/zinc/94/70/27/558947027.db2.gz YNZOLACATJHMAX-UHFFFAOYSA-N 0 0 422.934 2.812 50 0 HFAARN COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000097943869 558950795 /nfs/dbraw/zinc/95/07/95/558950795.db2.gz SKWDXHJXNCGNSQ-QHCPKHFHSA-N 0 0 407.470 2.730 50 0 HFAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021808014 558951756 /nfs/dbraw/zinc/95/17/56/558951756.db2.gz RSEUEHJLTHMIAK-OAHLLOKOSA-N 0 0 419.938 2.646 50 0 HFAARN COc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000021806356 558952184 /nfs/dbraw/zinc/95/21/84/558952184.db2.gz KRZLWMNTBROHGW-ZFWWWQNUSA-N 0 0 420.535 2.644 50 0 HFAARN COc1ccc(CCNC(=O)c2nnc(C(=O)Nc3ccccc3)s2)cc1OC ZINC000033061125 558954894 /nfs/dbraw/zinc/95/48/94/558954894.db2.gz OSZVARYVWNOFHN-UHFFFAOYSA-N 0 0 412.471 2.780 50 0 biogenic HFAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)NCCN1CCOCC1 ZINC000019681479 558956911 /nfs/dbraw/zinc/95/69/11/558956911.db2.gz WYNMZIUNZGANRV-UHFFFAOYSA-N 0 0 408.527 2.837 50 0 HFAARN CC(=O)N1CCc2cc(S(=O)(=O)[C@H](C)CC(=O)Nc3ccccc3F)ccc21 ZINC000021871845 558960030 /nfs/dbraw/zinc/96/00/30/558960030.db2.gz ODFCSYBCXGRYQG-CYBMUJFWSA-N 0 0 404.463 2.926 50 0 HFAARN COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 ZINC000064591339 558964512 /nfs/dbraw/zinc/96/45/12/558964512.db2.gz PNEJEAJBBFUJNL-UHFFFAOYSA-N 0 0 418.409 2.539 50 0 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/nfs/dbraw/zinc/97/61/54/558976154.db2.gz NUUQBCUKJHAFBI-UHFFFAOYSA-N 0 0 421.505 2.950 50 0 HFAARN COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C ZINC000072446635 558982143 /nfs/dbraw/zinc/98/21/43/558982143.db2.gz KUFUSEYCWPJDMF-UHFFFAOYSA-N 0 0 417.531 2.500 50 0 HFAARN CC(C)=CCn1c(=O)c2nc(C(=O)NCCO)cn2cc1-c1ccccc1Cl ZINC000072456966 558983159 /nfs/dbraw/zinc/98/31/59/558983159.db2.gz KKIYTCLTDSSDIN-UHFFFAOYSA-N 0 0 400.866 2.505 50 0 HFAARN O=C(Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c21)c1cc[nH]n1 ZINC000072469119 558983306 /nfs/dbraw/zinc/98/33/06/558983306.db2.gz MXSDUSBRWMFCFV-UHFFFAOYSA-N 0 0 402.458 2.897 50 0 HFAARN COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000022024945 558984940 /nfs/dbraw/zinc/98/49/40/558984940.db2.gz UWRIMHBRZLHAMA-QGZVFWFLSA-N 0 0 401.482 2.858 50 0 HFAARN Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccccc3Br)nn2)n1 ZINC000067614083 558989297 /nfs/dbraw/zinc/98/92/97/558989297.db2.gz NHCJHSKZIXIHQG-UHFFFAOYSA-N 0 0 415.295 2.884 50 0 HFAARN Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nn2)n1 ZINC000067620615 558989538 /nfs/dbraw/zinc/98/95/38/558989538.db2.gz MKFDHKOCNFXWCP-UHFFFAOYSA-N 0 0 413.432 2.911 50 0 HFAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)o3)CC2=O)cc1 ZINC000033268331 558990871 /nfs/dbraw/zinc/99/08/71/558990871.db2.gz KOPXLSJZAXRLGX-AWEZNQCLSA-N 0 0 406.398 2.880 50 0 HFAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)NCc3ccccc3F)n2)cc1 ZINC000033268438 558991661 /nfs/dbraw/zinc/99/16/61/558991661.db2.gz XQZPCTZGCWVFTR-UHFFFAOYSA-N 0 0 417.462 2.740 50 0 HFAARN O=C(c1ccc2cc[nH]c2c1)N1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)c1cccs1 ZINC000097097085 558992182 /nfs/dbraw/zinc/99/21/82/558992182.db2.gz USIVLABNDPYOGF-ZOBUZTSGSA-N 0 0 401.513 2.811 50 0 HFAARN C/C=C\c1ccc(OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(OC)c1 ZINC000096837120 558993041 /nfs/dbraw/zinc/99/30/41/558993041.db2.gz PHOGIHNUULQIPE-YVMONPNESA-N 0 0 418.515 2.674 50 0 HFAARN O=C([C@@H]1CNC(=O)C1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067817012 558993307 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559230889 /nfs/dbraw/zinc/23/08/89/559230889.db2.gz LHJGUNFGKAOLTO-LJQANCHMSA-N 0 0 414.483 2.640 50 0 HFAARN Cc1c(NC(=O)COC(=O)c2cc(Cl)ccc2N)c(=O)n(-c2ccccc2)n1C ZINC000005047959 559236906 /nfs/dbraw/zinc/23/69/06/559236906.db2.gz MUWDCWOORHZDCO-UHFFFAOYSA-N 0 0 414.849 2.516 50 0 HFAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000005068241 559240330 /nfs/dbraw/zinc/24/03/30/559240330.db2.gz FAPAXAGLBKCCNA-IPYPFGDCSA-N 0 0 408.549 2.539 50 0 HFAARN CCOc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 ZINC000005075789 559240860 /nfs/dbraw/zinc/24/08/60/559240860.db2.gz UVFKVOLFJCFGTK-UHFFFAOYSA-N 0 0 410.517 2.734 50 0 HFAARN COc1ccc(N(C(=O)Cc2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000005080603 559242512 /nfs/dbraw/zinc/24/25/12/559242512.db2.gz YSLUKKFGVICSHO-INIZCTEOSA-N 0 0 405.447 2.729 50 0 HFAARN COc1ccc(OCC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 ZINC000005097646 559245186 /nfs/dbraw/zinc/24/51/86/559245186.db2.gz VDNZJHPIQSBVFO-UHFFFAOYSA-N 0 0 410.879 2.906 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559287129 /nfs/dbraw/zinc/28/71/29/559287129.db2.gz VZDCVERDCWWRDN-UHFFFAOYSA-N 0 0 409.427 2.886 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 ZINC000005183221 559290265 /nfs/dbraw/zinc/29/02/65/559290265.db2.gz LIXOJFAINHFJCS-UHFFFAOYSA-N 0 0 412.471 2.547 50 0 HFAARN CCOc1cc(CNC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)ccc1OC ZINC000005191472 559291457 /nfs/dbraw/zinc/29/14/57/559291457.db2.gz BPDWTOCABFWKIF-INIZCTEOSA-N 0 0 413.474 2.707 50 0 HFAARN COc1cccc(N2Cc3nc(=O)n(Cc4cccc(OC(F)(F)F)c4)n3C2=O)c1 ZINC000061718039 559292855 /nfs/dbraw/zinc/29/28/55/559292855.db2.gz YQYVXQFQXYNLMI-UHFFFAOYSA-N 0 0 420.347 2.989 50 0 HFAARN COc1ccc2c(c1)c(CC(=O)OCC(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000807967 560178697 /nfs/dbraw/zinc/17/86/97/560178697.db2.gz BJUOEHKZBXSYNN-UHFFFAOYSA-N 0 0 414.845 2.871 50 0 biogenic,in-vitro HFAARN COc1ccc(N2C[C@H](C(=O)Nc3nnc(C4CCC4)s3)CC2=O)c(OC)c1 ZINC000061719955 560536346 /nfs/dbraw/zinc/53/63/46/560536346.db2.gz QNUCJIXEFHHPTL-GFCCVEGCSA-N 0 0 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HFAARN COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000095994181 568678314 /nfs/dbraw/zinc/67/83/14/568678314.db2.gz YNPHIOBPBYMBDC-HOTGVXAUSA-N 0 0 406.479 2.974 50 0 HFAARN CCOc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)ccc1C ZINC000095998652 568680031 /nfs/dbraw/zinc/68/00/31/568680031.db2.gz FVNOYSSLOUUTOM-OAHLLOKOSA-N 0 0 406.508 2.508 50 0 HFAARN Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)Cc3ccc4c(c3)OCO4)no2)cn1 ZINC000096001861 568681399 /nfs/dbraw/zinc/68/13/99/568681399.db2.gz AXQCEVNNPQRYTI-INIZCTEOSA-N 0 0 409.446 2.885 50 0 HFAARN CN(Cc1ccncc1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000096005137 568682413 /nfs/dbraw/zinc/68/24/13/568682413.db2.gz AUWLYNRPXPIETI-GOSISDBHSA-N 0 0 407.923 2.801 50 0 HFAARN O=C(CNC(=O)COc1ccccc1)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000021209726 568683384 /nfs/dbraw/zinc/68/33/84/568683384.db2.gz SHKZHPGQADQBGW-UHFFFAOYSA-N 0 0 422.441 2.735 50 0 HFAARN COc1ccc(NC(=O)c2cnn(C)c2Br)cc1N1CCCCC1=O ZINC000096012315 568684918 /nfs/dbraw/zinc/68/49/18/568684918.db2.gz QYNSUQAXDUWLOH-UHFFFAOYSA-N 0 0 407.268 2.960 50 0 HFAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3nn(C)c4c3CCCC4)n(C)n2)c1 ZINC000096099162 568690080 /nfs/dbraw/zinc/69/00/80/568690080.db2.gz AFCWFKZJKXUIDB-UHFFFAOYSA-N 0 0 409.490 2.647 50 0 HFAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099914 568690961 /nfs/dbraw/zinc/69/09/61/568690961.db2.gz ZEEHVVIGXPWFRB-UHFFFAOYSA-N 0 0 423.589 2.733 50 0 HFAARN C[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C(=O)c1c[nH]c2ccccc12 ZINC000021374070 568692400 /nfs/dbraw/zinc/69/24/00/568692400.db2.gz VBJIGLRORVGDBY-QLEMLULZSA-N 0 0 411.458 2.783 50 0 HFAARN O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O ZINC000096105609 568693088 /nfs/dbraw/zinc/69/30/88/568693088.db2.gz IGDCXTLQTCWQDO-UHFFFAOYSA-N 0 0 413.424 2.621 50 0 HFAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000096114406 568693841 /nfs/dbraw/zinc/69/38/41/568693841.db2.gz BGTPULUEZUEZCD-HNNXBMFYSA-N 0 0 406.431 2.983 50 0 biogenic HFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1 ZINC000096114704 568694285 /nfs/dbraw/zinc/69/42/85/568694285.db2.gz SFAZVODXQLZLAY-FQEVSTJZSA-N 0 0 418.453 2.735 50 0 biogenic HFAARN CC(C)[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000096116569 568695987 /nfs/dbraw/zinc/69/59/87/568695987.db2.gz LIXIBEIPXUUCRL-QUCCMNQESA-N 0 0 419.485 2.907 50 0 biogenic HFAARN CC(C)C[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn21 ZINC000096116615 568696078 /nfs/dbraw/zinc/69/60/78/568696078.db2.gz JJGCDDXYHRSCIU-INIZCTEOSA-N 0 0 422.514 2.918 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)NCc1ccc(C(=O)c2ccco2)s1 ZINC000096119820 568699119 /nfs/dbraw/zinc/69/91/19/568699119.db2.gz VVBREQIVSSPDMR-UHFFFAOYSA-N 0 0 411.482 2.899 50 0 HFAARN CO[C@@](C)(CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)c1ccccc1F ZINC000096123608 568700271 /nfs/dbraw/zinc/70/02/71/568700271.db2.gz KZNWYSXDYQDEHF-NRFANRHFSA-N 0 0 418.490 2.501 50 0 HFAARN Cn1c(C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCCC4)C3)C2)nc2cccnc21 ZINC000096124897 568701039 /nfs/dbraw/zinc/70/10/39/568701039.db2.gz KWKHXHPKENFIBV-ZWKOTPCHSA-N 0 0 423.561 2.931 50 0 HFAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000021439069 568702384 /nfs/dbraw/zinc/70/23/84/568702384.db2.gz BBRZQMVJFZZRIL-UHFFFAOYSA-N 0 0 406.490 2.985 50 0 HFAARN COC(=O)CN1c2ccc(NC(=O)COc3ccccc3OC)cc2C(C)(C)C1=O ZINC000096182737 568702660 /nfs/dbraw/zinc/70/26/60/568702660.db2.gz YJNXWXUDDBENSW-UHFFFAOYSA-N 0 0 412.442 2.510 50 0 HFAARN CC(C)n1c(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)nc2ccccc21 ZINC000096221254 568704981 /nfs/dbraw/zinc/70/49/81/568704981.db2.gz JBQSNDNNBFKPNA-KNBMTAEXSA-N 0 0 415.563 2.959 50 0 biogenic HFAARN CC[C@H](C(=O)NC)n1nc(Br)c(Br)c1Br ZINC000059949723 568709649 /nfs/dbraw/zinc/70/96/49/568709649.db2.gz QOCDBPLNLLXFLK-SCSAIBSYSA-N 0 0 403.900 2.868 50 0 HFAARN Cc1ccc(NC(=O)c2ccc(CN3CC(=O)N4CSC[C@H]4C3=O)cc2)c(C)c1 ZINC000021530033 568710303 /nfs/dbraw/zinc/71/03/03/568710303.db2.gz JATNGVICONOJTL-IBGZPJMESA-N 0 0 409.511 2.799 50 0 HFAARN Cc1ccc([C@@H](CC(=O)NCCN2CCOCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530737 568710962 /nfs/dbraw/zinc/71/09/62/568710962.db2.gz AEESTSXQIBCDFU-JOCHJYFZSA-N 0 0 407.514 2.531 50 0 HFAARN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)N2CCOCC2)o1 ZINC000041197976 568711297 /nfs/dbraw/zinc/71/12/97/568711297.db2.gz VNEVPKAJIVDNFB-MRXNPFEDSA-N 0 0 409.845 2.509 50 0 HFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C)c1 ZINC000021532156 568711380 /nfs/dbraw/zinc/71/13/80/568711380.db2.gz SWQOEILPUKOBLH-UHFFFAOYSA-N 0 0 415.515 2.837 50 0 HFAARN C[C@H](C(=O)Nc1ccccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000024988914 568711431 /nfs/dbraw/zinc/71/14/31/568711431.db2.gz YXSPZSURVSMUBT-CYBMUJFWSA-N 0 0 411.524 2.657 50 0 HFAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1cccnc1 ZINC000000857008 568713160 /nfs/dbraw/zinc/71/31/60/568713160.db2.gz LIDCKUFPGBEXNR-UHFFFAOYSA-N 0 0 409.511 2.631 50 0 HFAARN COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc3cccnc32)cc1OC ZINC000021552227 568714028 /nfs/dbraw/zinc/71/40/28/568714028.db2.gz ULLKIFLIASYHBB-UHFFFAOYSA-N 0 0 415.471 2.559 50 0 HFAARN O=C(COc1ccc(Cl)cc1)NCCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275917 568714858 /nfs/dbraw/zinc/71/48/58/568714858.db2.gz QZTPQPSMLJLJMM-UHFFFAOYSA-N 0 0 401.806 2.856 50 0 HFAARN COCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1cccs1 ZINC000096292250 568721183 /nfs/dbraw/zinc/72/11/83/568721183.db2.gz FHXWHTXLVYEQEF-UHFFFAOYSA-N 0 0 401.444 2.858 50 0 HFAARN O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccccc1Cl ZINC000012422920 568721428 /nfs/dbraw/zinc/72/14/28/568721428.db2.gz MBPZHUDCXYWAFK-UHFFFAOYSA-N 0 0 402.863 2.596 50 0 HFAARN COc1ccc(C)cc1NC(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000012440206 568723265 /nfs/dbraw/zinc/72/32/65/568723265.db2.gz RJKGOYSGNZZNGU-UHFFFAOYSA-N 0 0 403.442 2.928 50 0 HFAARN COc1cc(C(=O)Oc2ccccc2C(=S)N2CCOCC2)cc(OC)c1OC ZINC000000866328 568723516 /nfs/dbraw/zinc/72/35/16/568723516.db2.gz ADPDZSXHPTZSPW-UHFFFAOYSA-N 0 0 417.483 2.939 50 0 HFAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCc2sccc2C1 ZINC000021629050 568724603 /nfs/dbraw/zinc/72/46/03/568724603.db2.gz RUWXQVUYMHOMSU-UHFFFAOYSA-N 0 0 404.557 2.880 50 0 HFAARN CCOc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2C)S1(=O)=O ZINC000021629191 568724652 /nfs/dbraw/zinc/72/46/52/568724652.db2.gz DHSYHMRILQJBID-UHFFFAOYSA-N 0 0 417.531 2.785 50 0 HFAARN Cc1cccc(-n2c(=O)c3cc(C)ccc3n(CC(=O)NCc3ccco3)c2=O)c1 ZINC000096318105 568727011 /nfs/dbraw/zinc/72/70/11/568727011.db2.gz MMACEDQVXWFWIW-UHFFFAOYSA-N 0 0 403.438 2.679 50 0 HFAARN COc1ccc(NC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000021640543 568727726 /nfs/dbraw/zinc/72/77/26/568727726.db2.gz GAZJLDZAXIOYBC-UHFFFAOYSA-N 0 0 421.432 2.989 50 0 HFAARN CCc1nnc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c[nH]2)o1 ZINC000096321603 568728902 /nfs/dbraw/zinc/72/89/02/568728902.db2.gz MQAUZZXHMRPVLT-UHFFFAOYSA-N 0 0 415.519 2.755 50 0 HFAARN CCN(CC)C(=O)[C@@H](C)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 ZINC000239667194 568729728 /nfs/dbraw/zinc/72/97/28/568729728.db2.gz BPHVFFABIFIOBQ-CQSZACIVSA-N 0 0 420.355 2.704 50 0 HFAARN O=c1oc2cc(S(=O)(=O)NC3CCCCC3)ccc2n1Cc1noc(C2CC2)n1 ZINC000096322143 568729814 /nfs/dbraw/zinc/72/98/14/568729814.db2.gz NHHSUKIWPMNSSI-UHFFFAOYSA-N 0 0 418.475 2.514 50 0 HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3cccc(OC)c3OC)cc2)c1N ZINC000021652132 568730076 /nfs/dbraw/zinc/73/00/76/568730076.db2.gz GHJVYVAIWHRLOP-UHFFFAOYSA-N 0 0 424.457 2.578 50 0 HFAARN Cc1cc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)c2c(c1)[C@@H](C)CCN2 ZINC000241470618 568731208 /nfs/dbraw/zinc/73/12/08/568731208.db2.gz NWNMSQQPCQEBOM-ZDUSSCGKSA-N 0 0 402.472 2.601 50 0 HFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000096323374 568731894 /nfs/dbraw/zinc/73/18/94/568731894.db2.gz IIKSEYSBQBTUAK-UHFFFAOYSA-N 0 0 418.563 2.844 50 0 HFAARN O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324587 568733891 /nfs/dbraw/zinc/73/38/91/568733891.db2.gz QKCVVZLEOLKWOL-UHFFFAOYSA-N 0 0 403.486 2.683 50 0 HFAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000096324571 568733945 /nfs/dbraw/zinc/73/39/45/568733945.db2.gz RNKTZVUORILGNN-UHFFFAOYSA-N 0 0 419.485 2.649 50 0 HFAARN COc1ccccc1NC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324712 568734204 /nfs/dbraw/zinc/73/42/04/568734204.db2.gz CZDSCYWHMLIKTQ-UHFFFAOYSA-N 0 0 405.458 2.971 50 0 HFAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000005798003 568734518 /nfs/dbraw/zinc/73/45/18/568734518.db2.gz KXPHHAPOHCQHJS-QFIPXVFZSA-N 0 0 409.442 2.944 50 0 HFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000096324953 568734557 /nfs/dbraw/zinc/73/45/57/568734557.db2.gz TZRJDHFDUDPCTR-UHFFFAOYSA-N 0 0 413.840 2.862 50 0 HFAARN Cc1cc(NC(=O)CN2CCc3nc(NC(=O)c4ccsc4)sc3C2)no1 ZINC000096334186 568736652 /nfs/dbraw/zinc/73/66/52/568736652.db2.gz QRZOTOWGEFSPLZ-UHFFFAOYSA-N 0 0 403.489 2.750 50 0 HFAARN C[C@H]1Sc2ccc(C(=O)N3CCN(CCOc4ccccc4)CC3)cc2NC1=O ZINC000018826808 568741535 /nfs/dbraw/zinc/74/15/35/568741535.db2.gz HDDZFMISUATTPP-MRXNPFEDSA-N 0 0 411.527 2.956 50 0 HFAARN COc1ccc(-n2c(=O)n(CC(=O)NCc3cc(F)cc(F)c3)c3cccnc32)cc1 ZINC000096385646 568741964 /nfs/dbraw/zinc/74/19/64/568741964.db2.gz PGKALNMAMDREAJ-UHFFFAOYSA-N 0 0 424.407 2.790 50 0 HFAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000096385640 568742031 /nfs/dbraw/zinc/74/20/31/568742031.db2.gz OJGTYQUNHXVFOX-UHFFFAOYSA-N 0 0 418.453 2.521 50 0 HFAARN O=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1)NC1CCCC1 ZINC000021702685 568742062 /nfs/dbraw/zinc/74/20/62/568742062.db2.gz CUJOJJQNWSPGLH-UHFFFAOYSA-N 0 0 418.519 2.513 50 0 HFAARN COc1ccc(N2C[C@@H](C(=O)Nc3cccnc3N3CCSCC3)CC2=O)cc1 ZINC000051988651 568742281 /nfs/dbraw/zinc/74/22/81/568742281.db2.gz XYXZTDYAMRAWCN-HNNXBMFYSA-N 0 0 412.515 2.635 50 0 HFAARN CCCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000018947596 568743789 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O=C(COC(=O)c1ccc(CSc2nc[nH]n2)cc1)Nc1cccnc1Cl ZINC000012622338 568877621 /nfs/dbraw/zinc/87/76/21/568877621.db2.gz SYFZFVOIJOTEPE-UHFFFAOYSA-N 0 0 403.851 2.941 50 0 HFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)COc3ccc(Cl)cc3)cc12 ZINC000004032778 568878980 /nfs/dbraw/zinc/87/89/80/568878980.db2.gz FBZCNNOBQSYCSG-UHFFFAOYSA-N 0 0 416.861 2.936 50 0 HFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000004034865 568879448 /nfs/dbraw/zinc/87/94/48/568879448.db2.gz YNERUENKSBMOLQ-FQEVSTJZSA-N 0 0 400.519 2.660 50 0 HFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)CC)[C@H](c3ccccc3)C2)cc1 ZINC000004036201 568879689 /nfs/dbraw/zinc/87/96/89/568879689.db2.gz MWOLWINUXIZEST-IBGZPJMESA-N 0 0 421.544 2.949 50 0 HFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1 ZINC000003320206 568880043 /nfs/dbraw/zinc/88/00/43/568880043.db2.gz JOTGHCRVFHWOII-UHFFFAOYSA-N 0 0 411.476 2.714 50 0 HFAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000004046665 568880183 /nfs/dbraw/zinc/88/01/83/568880183.db2.gz FAAUXXYWLWQKSP-SIKLNZKXSA-N 0 0 403.438 2.687 50 0 biogenic HFAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000003327049 568881305 /nfs/dbraw/zinc/88/13/05/568881305.db2.gz QOXICWPXAUVDQF-KUHUBIRLSA-N 0 0 402.454 2.609 50 0 HFAARN Cc1c(C)[n+]([O-])c([C@H](c2ccco2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 ZINC000263587025 568882137 /nfs/dbraw/zinc/88/21/37/568882137.db2.gz BEZNPJVOGHXZRJ-GOSISDBHSA-N 0 0 424.453 2.964 50 0 HFAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1O ZINC000003332510 568882209 /nfs/dbraw/zinc/88/22/09/568882209.db2.gz TWMXLFFIGBQZJN-XVNBXDOJSA-N 0 0 407.325 2.917 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000004073292 568882450 /nfs/dbraw/zinc/88/24/50/568882450.db2.gz DOXGTYOKQASTKL-NRFANRHFSA-N 0 0 409.467 2.901 50 0 biogenic HFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)OCc1c(F)cccc1Cl ZINC000003341714 568883810 /nfs/dbraw/zinc/88/38/10/568883810.db2.gz HTZYXROBJSGSAC-HXUWFJFHSA-N 0 0 402.809 2.916 50 0 HFAARN COc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)no2)cc1 ZINC000012638192 568884103 /nfs/dbraw/zinc/88/41/03/568884103.db2.gz UETKVSCRXJPZFO-UHFFFAOYSA-N 0 0 415.471 2.531 50 0 HFAARN Cc1c(C(=O)N2CCNC(=O)[C@H]2C(C)C)cnn1-c1ccc(Br)cc1 ZINC000078452809 568884982 /nfs/dbraw/zinc/88/49/82/568884982.db2.gz GREOYHIIAAAELR-MRXNPFEDSA-N 0 0 405.296 2.540 50 0 HFAARN CNS(=O)(=O)c1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)ccc1Cl ZINC000003364874 568888932 /nfs/dbraw/zinc/88/89/32/568888932.db2.gz STANBVDDBVJQHS-UHFFFAOYSA-N 0 0 407.831 2.882 50 0 HFAARN CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2SCC(N)=O)C1 ZINC000058130251 568889321 /nfs/dbraw/zinc/88/93/21/568889321.db2.gz OGYDTABNSLHZMK-AWEZNQCLSA-N 0 0 407.536 2.641 50 0 HFAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)C(=O)NC(N)=O ZINC000003370254 568889757 /nfs/dbraw/zinc/88/97/57/568889757.db2.gz UEJJRYDJALWYAX-SNVBAGLBSA-N 0 0 403.414 2.888 50 0 HFAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000003370658 568890565 /nfs/dbraw/zinc/89/05/65/568890565.db2.gz CPRKCGWJDAYBMK-CQSZACIVSA-N 0 0 420.535 2.538 50 0 HFAARN CC[C@H](C)NC(=O)c1cccc(CNC(=O)CCn2cnc3c(C)cccc3c2=O)c1 ZINC000058160325 568894286 /nfs/dbraw/zinc/89/42/86/568894286.db2.gz UCXVAZRTGVDDCK-KRWDZBQOSA-N 0 0 420.513 2.940 50 0 HFAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000003401951 568896681 /nfs/dbraw/zinc/89/66/81/568896681.db2.gz WYWOYNFXRMXDRN-UHFFFAOYSA-N 0 0 410.451 2.797 50 0 HFAARN COc1cccc(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000003422597 568900223 /nfs/dbraw/zinc/90/02/23/568900223.db2.gz IGHXIRSXEUSWKH-UHFFFAOYSA-N 0 0 400.456 2.948 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003437888 568903008 /nfs/dbraw/zinc/90/30/08/568903008.db2.gz GLABLZWRUHHOEU-UHFFFAOYSA-N 0 0 414.439 2.782 50 0 HFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000003450122 568905359 /nfs/dbraw/zinc/90/53/59/568905359.db2.gz RYNUNVARNSXRRP-INIZCTEOSA-N 0 0 410.373 2.817 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000003455031 568906380 /nfs/dbraw/zinc/90/63/80/568906380.db2.gz MXPVQGJOCZIDHO-UHFFFAOYSA-N 0 0 422.503 2.995 50 0 HFAARN CC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000003459635 568906839 /nfs/dbraw/zinc/90/68/39/568906839.db2.gz DFOIWLQEPRCPME-UHFFFAOYSA-N 0 0 412.467 2.769 50 0 HFAARN COc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1S(=O)(=O)N(C)C ZINC000012688668 568908063 /nfs/dbraw/zinc/90/80/63/568908063.db2.gz XHYVPUZXUJHVMR-CYBMUJFWSA-N 0 0 424.906 2.789 50 0 HFAARN CC(C)(C)C(=O)NCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000031031852 568909937 /nfs/dbraw/zinc/90/99/37/568909937.db2.gz MNFXIHPJVFRUJM-UHFFFAOYSA-N 0 0 416.518 2.822 50 0 HFAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(OC)c(OC)c4)c3CO2)cc1 ZINC000263617892 568911675 /nfs/dbraw/zinc/91/16/75/568911675.db2.gz QFSYGOSOQLOTHW-HXUWFJFHSA-N 0 0 424.457 2.505 50 0 HFAARN CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000003518031 568911925 /nfs/dbraw/zinc/91/19/25/568911925.db2.gz NZVKZJXPFZRITG-UHFFFAOYSA-N 0 0 420.853 2.726 50 0 HFAARN COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(OC)c(OC)c4)ccn3n2)c1 ZINC000263619475 568912641 /nfs/dbraw/zinc/91/26/41/568912641.db2.gz YVHRYEYIPBTNLC-FQEVSTJZSA-N 0 0 421.453 2.922 50 0 HFAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)NC2CCCCC2)C1=O ZINC000003563498 568915963 /nfs/dbraw/zinc/91/59/63/568915963.db2.gz XCADOSWUYONDHK-SFHVURJKSA-N 0 0 408.296 2.665 50 0 HFAARN C[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc2c(c1)OCCCO2 ZINC000248383187 568918030 /nfs/dbraw/zinc/91/80/30/568918030.db2.gz ZLBJPGMCEGOCFA-USXIJHARSA-N 0 0 400.475 2.590 50 0 HFAARN COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(OC)c1 ZINC000003593448 568918296 /nfs/dbraw/zinc/91/82/96/568918296.db2.gz JBGITPPPRUHYFC-FQEVSTJZSA-N 0 0 417.849 2.763 50 0 HFAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)NCc2cccs2)C1=O ZINC000003594280 568918363 /nfs/dbraw/zinc/91/83/63/568918363.db2.gz PXFOGIJRXUSPCO-KRWDZBQOSA-N 0 0 422.304 2.594 50 0 HFAARN O=C(C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1)O[C@H]1CCOC1=O ZINC000019175280 568918399 /nfs/dbraw/zinc/91/83/99/568918399.db2.gz YUCFTYWVOUFJHM-SJORKVTESA-N 0 0 423.874 2.608 50 0 HFAARN COc1ccc(C)cc1CN1CCN(C(=O)CCc2nc(C(C)(C)C)no2)CC1 ZINC000031219040 568919709 /nfs/dbraw/zinc/91/97/09/568919709.db2.gz YFPGVKXSHJLZDL-UHFFFAOYSA-N 0 0 400.523 2.961 50 0 HFAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000003621104 568920702 /nfs/dbraw/zinc/92/07/02/568920702.db2.gz MHHKCDUAVUOMMB-UHFFFAOYSA-N 0 0 413.861 2.813 50 0 HFAARN CNC(=O)Cn1ccc2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc21 ZINC000083881849 568922208 /nfs/dbraw/zinc/92/22/08/568922208.db2.gz LUVSEXNMLSSFTD-UHFFFAOYSA-N 0 0 420.469 2.753 50 0 HFAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000031333753 568923926 /nfs/dbraw/zinc/92/39/26/568923926.db2.gz PFYISNOEDVGITD-ZDUSSCGKSA-N 0 0 405.907 2.988 50 0 HFAARN CCOC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000001392456 568924880 /nfs/dbraw/zinc/92/48/80/568924880.db2.gz ULXHZJVSAGTCSX-UHFFFAOYSA-N 0 0 414.462 2.992 50 0 HFAARN CCCn1cnnc1CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)cs1 ZINC000670451130 568927125 /nfs/dbraw/zinc/92/71/25/568927125.db2.gz ZIWDJOBFAFFXMC-UHFFFAOYSA-N 0 0 421.426 2.902 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N(C)Cc2cc(C)on2)ccc1C ZINC000031655782 568928905 /nfs/dbraw/zinc/92/89/05/568928905.db2.gz VOHVJMJCBHKHLZ-INIZCTEOSA-N 0 0 422.551 2.781 50 0 HFAARN O=C(Nc1nc2c(s1)CCCCC2)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000031660114 568928987 /nfs/dbraw/zinc/92/89/87/568928987.db2.gz ACTCVZBOQHLYHJ-UHFFFAOYSA-N 0 0 420.560 2.846 50 0 HFAARN CCCc1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)n4cccc(C)c4n3)C2=O)cc1 ZINC000031744976 568929998 /nfs/dbraw/zinc/92/99/98/568929998.db2.gz YTLLQANEQMEQGT-QHCPKHFHSA-N 0 0 404.470 2.923 50 0 HFAARN Cc1ccc(C)c(C(=O)CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 ZINC000031753872 568930383 /nfs/dbraw/zinc/93/03/83/568930383.db2.gz KIAKYFVEXPZGEU-UHFFFAOYSA-N 0 0 419.572 2.610 50 0 HFAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000031810637 568932406 /nfs/dbraw/zinc/93/24/06/568932406.db2.gz WVJPJBOGNQBUIA-OAHLLOKOSA-N 0 0 413.413 2.900 50 0 HFAARN O=C(CCSc1nnc(N2CCCCC2)n1C1CC1)NC(=O)NC1CCCC1 ZINC000012746561 568932591 /nfs/dbraw/zinc/93/25/91/568932591.db2.gz HVBLFNOMZBFZFA-UHFFFAOYSA-N 0 0 406.556 2.854 50 0 HFAARN Cc1sc2c(c1C)c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)N1CCCCC1 ZINC000031820426 568933172 /nfs/dbraw/zinc/93/31/72/568933172.db2.gz AABHKDPDCZKUQO-UHFFFAOYSA-N 0 0 422.514 2.797 50 0 HFAARN CC(C)(C)C(=O)OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O ZINC000004031757 568934717 /nfs/dbraw/zinc/93/47/17/568934717.db2.gz SPLQRAQGNAZKHY-UHFFFAOYSA-N 0 0 410.470 2.862 50 0 HFAARN COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c1OC ZINC000004036257 568935419 /nfs/dbraw/zinc/93/54/19/568935419.db2.gz LMXNMHUVOCJBSK-SFHVURJKSA-N 0 0 417.487 2.773 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN(CC)c2cccc(C)c2)C1 ZINC000004057163 568936846 /nfs/dbraw/zinc/93/68/46/568936846.db2.gz DGWNGMNNSCTLCW-LJQANCHMSA-N 0 0 409.596 2.779 50 0 HFAARN C[C@H](NC(=O)CCC(=O)Nc1cccnc1)C(=O)c1ccc(Br)cc1 ZINC000084099232 568937761 /nfs/dbraw/zinc/93/77/61/568937761.db2.gz CENIXFHVUNSOKE-LBPRGKRZSA-N 0 0 404.264 2.950 50 0 HFAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(Cc1ccc3c(c1)OCO3)C2=O ZINC000004073504 568937971 /nfs/dbraw/zinc/93/79/71/568937971.db2.gz WZNFQFNSXSGNSH-QHCPKHFHSA-N 0 0 403.438 2.539 50 0 biogenic HFAARN COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)CC1=O ZINC000012750689 568940391 /nfs/dbraw/zinc/94/03/91/568940391.db2.gz AHMJIHLGXKZOSB-HOTGVXAUSA-N 0 0 402.491 2.771 50 0 HFAARN COc1cc(OC)cc(C(=O)NCC(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000012751186 568940467 /nfs/dbraw/zinc/94/04/67/568940467.db2.gz YBSPAJVFGUHYKX-UHFFFAOYSA-N 0 0 408.454 2.782 50 0 HFAARN CC(C)N1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1 ZINC000004087258 568940786 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COc1ccc(N(Cc2nnc(C)o2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008231393 568984083 /nfs/dbraw/zinc/98/40/83/568984083.db2.gz JADGTTOFQVJFML-UHFFFAOYSA-N 0 0 417.443 2.553 50 0 HFAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008231744 568984296 /nfs/dbraw/zinc/98/42/96/568984296.db2.gz GHYQIXCVUNGMCJ-UHFFFAOYSA-N 0 0 413.499 2.616 50 0 HFAARN O=C(CSc1nnnn1C1CCCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000008231828 568984300 /nfs/dbraw/zinc/98/43/00/568984300.db2.gz QSANVAOXSUJXJL-UHFFFAOYSA-N 0 0 404.887 2.753 50 0 HFAARN CC=C1C(NCC(=O)NCc2ccccc2F)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000015735797 568984530 /nfs/dbraw/zinc/98/45/30/568984530.db2.gz CGRUFKMWFXMRPC-UHFFFAOYSA-N 0 0 415.490 2.903 50 0 HFAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000012810838 568985157 /nfs/dbraw/zinc/98/51/57/568985157.db2.gz SEOVLTKHRZOSFQ-QWHCGFSZSA-N 0 0 407.565 2.669 50 0 HFAARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1OC ZINC000005993763 568985632 /nfs/dbraw/zinc/98/56/32/568985632.db2.gz GAODAPKAQSNQSK-VAWYXSNFSA-N 0 0 409.398 2.949 50 0 HFAARN COc1cc(-c2c3cnn(C(C)C)c3[nH]c3nc(=O)n(C)c2-3)c(OC)c2c1OCO2 ZINC000085412547 568986519 /nfs/dbraw/zinc/98/65/19/568986519.db2.gz QTKZODCLTDEPCO-UHFFFAOYSA-N 0 0 411.418 2.605 50 0 HFAARN CCn1c2ccc(S(=O)(=O)N3CCCCC[C@@H]3c3ccn(C)n3)cc2oc1=O ZINC000012159570 568988039 /nfs/dbraw/zinc/98/80/39/568988039.db2.gz JFWKEZICGYLNKD-MRXNPFEDSA-N 0 0 404.492 2.654 50 0 HFAARN COc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(OC)c(OC)c2)C1=O ZINC000006051622 568988128 /nfs/dbraw/zinc/98/81/28/568988128.db2.gz SYXMQALBUHELLT-QFIPXVFZSA-N 0 0 412.442 2.882 50 0 HFAARN CN(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008304239 568988294 /nfs/dbraw/zinc/98/82/94/568988294.db2.gz ZMNCVQRNOVAULK-UHFFFAOYSA-N 0 0 400.475 2.958 50 0 HFAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)OC ZINC000012815053 568989337 /nfs/dbraw/zinc/98/93/37/568989337.db2.gz SRLGEKUERRKLLH-KZULUSFZSA-N 0 0 412.417 2.944 50 0 HFAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000008313753 568989455 /nfs/dbraw/zinc/98/94/55/568989455.db2.gz NVRCIHUAYBAPSD-UHFFFAOYSA-N 0 0 407.445 2.735 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)NCCc3cccs3)CC2)c(C)c1 ZINC000012815206 568989554 /nfs/dbraw/zinc/98/95/54/568989554.db2.gz HAACPKFOLLOSTI-UHFFFAOYSA-N 0 0 421.588 2.932 50 0 HFAARN C[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2S1 ZINC000008313960 568989630 /nfs/dbraw/zinc/98/96/30/568989630.db2.gz RUOMBVTWYAJMFN-CYBMUJFWSA-N 0 0 402.497 2.749 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000008326487 568991804 /nfs/dbraw/zinc/99/18/04/568991804.db2.gz QZBYRHKJNBIILF-KRWDZBQOSA-N 0 0 414.531 2.542 50 0 HFAARN Cc1cc(NC(=O)CSc2nnnn2Cc2ccccc2)n(-c2ccccc2)n1 ZINC000008327078 568992029 /nfs/dbraw/zinc/99/20/29/568992029.db2.gz CMSPQIZVHAAFSK-UHFFFAOYSA-N 0 0 405.487 2.946 50 0 HFAARN O=C(Cn1cnc2cc(F)ccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008328818 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/nfs/dbraw/zinc/00/41/70/569004170.db2.gz BKBBCZPDFQHXFC-GFCCVEGCSA-N 0 0 401.467 2.867 50 0 HFAARN C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4F)c(=O)c3s2)C1 ZINC000067226190 569004180 /nfs/dbraw/zinc/00/41/80/569004180.db2.gz OQGFXDHMLGPTEO-LBPRGKRZSA-N 0 0 401.467 2.867 50 0 HFAARN CCOC(=O)C1CCN(C(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)CC1 ZINC000067236101 569004568 /nfs/dbraw/zinc/00/45/68/569004568.db2.gz ZMDHSFQXQCTANG-UHFFFAOYSA-N 0 0 420.535 2.508 50 0 HFAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)cc1 ZINC000006112888 569004931 /nfs/dbraw/zinc/00/49/31/569004931.db2.gz NLRPMDQRFCWLPY-INIZCTEOSA-N 0 0 415.515 2.545 50 0 HFAARN CCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000085643565 569005281 /nfs/dbraw/zinc/00/52/81/569005281.db2.gz PQPNZAMSOHJTBG-UHFFFAOYSA-N 0 0 407.561 2.789 50 0 HFAARN Cc1cccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1C ZINC000085645555 569005505 /nfs/dbraw/zinc/00/55/05/569005505.db2.gz UMDMGMQIUQNZQE-UHFFFAOYSA-N 0 0 415.519 2.717 50 0 HFAARN CC(=O)c1sc2[nH]c(SCC(=O)NCCc3ccccc3)nc(=O)c2c1C ZINC000017968891 569006040 /nfs/dbraw/zinc/00/60/40/569006040.db2.gz QHSJTWOZCBBIHA-UHFFFAOYSA-N 0 0 401.513 2.947 50 0 HFAARN Cc1cccc(NC(=O)CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1C ZINC000012821977 569006047 /nfs/dbraw/zinc/00/60/47/569006047.db2.gz SBRBFJJFFUBSGB-UHFFFAOYSA-N 0 0 408.433 2.665 50 0 HFAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCN1CCOCC1 ZINC000020707704 569008115 /nfs/dbraw/zinc/00/81/15/569008115.db2.gz RQJCGBVQMKKBDD-UHFFFAOYSA-N 0 0 401.894 2.583 50 0 HFAARN COc1ccc(CNC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)cc1OC ZINC000085879222 569009822 /nfs/dbraw/zinc/00/98/22/569009822.db2.gz UPGCURBLRYLBQL-UHFFFAOYSA-N 0 0 409.486 2.929 50 0 biogenic HFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1C ZINC000086131634 569010261 /nfs/dbraw/zinc/01/02/61/569010261.db2.gz ASYWTPXIRCGRDC-UHFFFAOYSA-N 0 0 419.522 2.696 50 0 HFAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCC4)c2)C[C@H](C)O1 ZINC000012855382 569010979 /nfs/dbraw/zinc/01/09/79/569010979.db2.gz JUXSWOOPIBLAAJ-STQMWFEESA-N 0 0 421.544 2.682 50 0 HFAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000015824126 569011171 /nfs/dbraw/zinc/01/11/71/569011171.db2.gz RGGXTQPXTKMCHC-UHFFFAOYSA-N 0 0 414.491 2.540 50 0 HFAARN C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012867694 569012260 /nfs/dbraw/zinc/01/22/60/569012260.db2.gz KSAOGZFNWNQMPA-MRXNPFEDSA-N 0 0 421.950 2.815 50 0 HFAARN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccc(Cl)cc1 ZINC000043191165 569012884 /nfs/dbraw/zinc/01/28/84/569012884.db2.gz ZTGJOFZDWOHVRU-MANSERQUSA-N 0 0 407.857 2.917 50 0 HFAARN CCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000249703408 569013395 /nfs/dbraw/zinc/01/33/95/569013395.db2.gz ZTGJOFZDWOHVRU-ZSYWTGECSA-N 0 0 407.857 2.917 50 0 HFAARN O=C(Nc1ccccc1Br)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000015842632 569013846 /nfs/dbraw/zinc/01/38/46/569013846.db2.gz BVZXSHXBFFWHTB-UHFFFAOYSA-N 0 0 409.261 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NS(=O)(=O)c1ccc(CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000012940745 569028620 /nfs/dbraw/zinc/02/86/20/569028620.db2.gz JMOFXBZTBHATDW-UHFFFAOYSA-N 0 0 413.499 2.814 50 0 HFAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000012949030 569029340 /nfs/dbraw/zinc/02/93/40/569029340.db2.gz OGKTWJNTAPEXIY-KRWDZBQOSA-N 0 0 409.877 2.649 50 0 HFAARN CC(C)c1ccc(N2CCN(CC(=O)N3CCC[C@H](Oc4ccncn4)C3)C2=O)cc1 ZINC000575607190 569032128 /nfs/dbraw/zinc/03/21/28/569032128.db2.gz AUZJOGMLACCVHG-FQEVSTJZSA-N 0 0 423.517 2.912 50 0 HFAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000575611436 569032476 /nfs/dbraw/zinc/03/24/76/569032476.db2.gz VGHITDQKTLDEAM-GOSISDBHSA-N 0 0 424.478 2.975 50 0 HFAARN O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575613472 569032681 /nfs/dbraw/zinc/03/26/81/569032681.db2.gz QYXSTWRFGAPAAP-GFCCVEGCSA-N 0 0 418.700 2.735 50 0 HFAARN CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000006205081 569032985 /nfs/dbraw/zinc/03/29/85/569032985.db2.gz PACYVLZISDJDSK-UHFFFAOYSA-N 0 0 400.508 2.506 50 0 HFAARN Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1C[C@H]1CCCO1 ZINC000035361697 569033662 /nfs/dbraw/zinc/03/36/62/569033662.db2.gz NUKJNIGJQWNMMZ-QGZVFWFLSA-N 0 0 408.502 2.835 50 0 HFAARN Cc1ccc(NC(=O)Cn2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2=O)cc1 ZINC000035375712 569034035 /nfs/dbraw/zinc/03/40/35/569034035.db2.gz JXXCLDLXWPWZPG-UHFFFAOYSA-N 0 0 421.476 2.656 50 0 HFAARN O=C(Cc1ccccc1)NCC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000035375765 569034037 /nfs/dbraw/zinc/03/40/37/569034037.db2.gz RMZOVZHALCLJFN-UHFFFAOYSA-N 0 0 404.470 2.802 50 0 HFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)C4CCCCC4)CC3)C(=O)C2=O)cc1 ZINC000035376506 569034185 /nfs/dbraw/zinc/03/41/85/569034185.db2.gz HROHPVOAMRJDIL-UHFFFAOYSA-N 0 0 411.546 2.737 50 0 HFAARN COc1ccc(CNC(=O)CN2c3cc(-c4ccccc4C)nn3CCC2=O)cc1 ZINC000035374578 569034323 /nfs/dbraw/zinc/03/43/23/569034323.db2.gz ITRACWYGJRQNTD-UHFFFAOYSA-N 0 0 404.470 2.920 50 0 HFAARN Cc1cc(C)cc(NC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCC4)cc32)c1 ZINC000035376805 569034421 /nfs/dbraw/zinc/03/44/21/569034421.db2.gz YABABYWRMQIJTA-UHFFFAOYSA-N 0 0 407.470 2.904 50 0 HFAARN Cc1noc(C)c1CCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035397000 569034790 /nfs/dbraw/zinc/03/47/90/569034790.db2.gz RXSUKLUWBOUFMN-UHFFFAOYSA-N 0 0 407.474 2.632 50 0 HFAARN COc1cc2c(cc1OC)-c1cc(NCCCCCCNC(C)=O)nc(=O)n1CC2 ZINC000006262357 569036075 /nfs/dbraw/zinc/03/60/75/569036075.db2.gz GKAGDJGSCNMTEX-UHFFFAOYSA-N 0 0 414.506 2.592 50 0 biogenic HFAARN CC(C)NC(=O)CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000035446080 569037191 /nfs/dbraw/zinc/03/71/91/569037191.db2.gz KBGUBTGPZZELCD-IBGZPJMESA-N 0 0 412.534 2.543 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCc3c[nH]c4ccccc34)n2C)c1 ZINC000035446560 569037237 /nfs/dbraw/zinc/03/72/37/569037237.db2.gz CYNPDZTVLGEHPG-UHFFFAOYSA-N 0 0 424.526 2.882 50 0 HFAARN CCc1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000006286095 569037538 /nfs/dbraw/zinc/03/75/38/569037538.db2.gz TYDZSSDBTBUCRB-UHFFFAOYSA-N 0 0 418.515 2.596 50 0 HFAARN Cc1ccc(NC(=O)CCCOc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000006286105 569037545 /nfs/dbraw/zinc/03/75/45/569037545.db2.gz UPKDICPUFXREFQ-UHFFFAOYSA-N 0 0 418.515 2.814 50 0 HFAARN COc1ccc(N2C(=O)c3cc(C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000035477336 569038429 /nfs/dbraw/zinc/03/84/29/569038429.db2.gz PVEPYMRYNBBMCL-QHCPKHFHSA-N 0 0 404.470 2.936 50 0 HFAARN CN(CCc1noc(COc2ccccc2F)n1)S(=O)(=O)c1ccccc1F ZINC000035479568 569038629 /nfs/dbraw/zinc/03/86/29/569038629.db2.gz XPQHVORANJTSKC-UHFFFAOYSA-N 0 0 409.414 2.790 50 0 HFAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000228763843 569040309 /nfs/dbraw/zinc/04/03/09/569040309.db2.gz VZNDQIRDQSINJJ-RTBURBONSA-N 0 0 417.937 2.550 50 0 HFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000035508295 569041017 /nfs/dbraw/zinc/04/10/17/569041017.db2.gz LRGXIBRKWUUWPS-IBGZPJMESA-N 0 0 415.497 2.909 50 0 HFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000035508229 569041030 /nfs/dbraw/zinc/04/10/30/569041030.db2.gz ULIKSARTLNDUJS-QGZVFWFLSA-N 0 0 407.449 2.779 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1 ZINC000006724907 569041462 /nfs/dbraw/zinc/04/14/62/569041462.db2.gz DJVMIZMHSPEIHB-CYBMUJFWSA-N 0 0 405.451 2.538 50 0 HFAARN Cn1ccnc1SCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000090608194 569042246 /nfs/dbraw/zinc/04/22/46/569042246.db2.gz WUIRSCOICOZOCI-MRXNPFEDSA-N 0 0 416.522 2.943 50 0 HFAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccccn3)CC2)cc1 ZINC000006328291 569043397 /nfs/dbraw/zinc/04/33/97/569043397.db2.gz DNGLOFXQUIMSFK-UHFFFAOYSA-N 0 0 401.532 2.791 50 0 HFAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)NCCCN1CCOCC1 ZINC000035536670 569043617 /nfs/dbraw/zinc/04/36/17/569043617.db2.gz XHERPWFGVGOQFW-UHFFFAOYSA-N 0 0 408.296 2.865 50 0 HFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N[C@@H](C)C(C)C ZINC000006346636 569044537 /nfs/dbraw/zinc/04/45/37/569044537.db2.gz YCWRDLMZZZCJLJ-ZDUSSCGKSA-N 0 0 412.581 2.737 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000006356883 569045257 /nfs/dbraw/zinc/04/52/57/569045257.db2.gz MAHGQKGLKRUAET-UHFFFAOYSA-N 0 0 413.451 2.751 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1 ZINC000035590050 569045360 /nfs/dbraw/zinc/04/53/60/569045360.db2.gz FYHFONNGAYPEBF-JXMROGBWSA-N 0 0 404.473 2.700 50 0 HFAARN COc1ccccc1-n1ncc2c1c(SCC(=O)NC[C@H]1CCCO1)nnc2C ZINC000035596839 569045555 /nfs/dbraw/zinc/04/55/55/569045555.db2.gz NSRRHJBXWKCPKG-CQSZACIVSA-N 0 0 413.503 2.520 50 0 HFAARN COc1ccc(C(C)=O)cc1COC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000006361170 569045951 /nfs/dbraw/zinc/04/59/51/569045951.db2.gz DTYDCOZDUIUGRZ-ZDUSSCGKSA-N 0 0 406.460 2.998 50 0 HFAARN Cn1nc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)c2ccccc2c1=O ZINC000006363797 569045968 /nfs/dbraw/zinc/04/59/68/569045968.db2.gz GXUVJFGLJPTFAZ-UHFFFAOYSA-N 0 0 407.470 2.918 50 0 HFAARN CCS(=O)(=O)N1CCC(NC(=O)N(C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000012981191 569046857 /nfs/dbraw/zinc/04/68/57/569046857.db2.gz IPQOYKLESLPIDA-UHFFFAOYSA-N 0 0 408.351 2.949 50 0 HFAARN CCc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2=O)cc1 ZINC000017913804 569047083 /nfs/dbraw/zinc/04/70/83/569047083.db2.gz JTCKJPWFDSPYKB-AWEZNQCLSA-N 0 0 401.413 2.635 50 0 HFAARN CCOCCCNC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC000012987699 569047492 /nfs/dbraw/zinc/04/74/92/569047492.db2.gz ZZCPAASMMMBOMR-UHFFFAOYSA-N 0 0 410.474 2.818 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2c[nH]c3ccccc32)cc1 ZINC000006426882 569048741 /nfs/dbraw/zinc/04/87/41/569048741.db2.gz QYBJOUYGAUBLNT-UHFFFAOYSA-N 0 0 400.456 2.523 50 0 HFAARN CN(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000013008395 569049837 /nfs/dbraw/zinc/04/98/37/569049837.db2.gz VVHOICLHLJYYPN-OAHLLOKOSA-N 0 0 408.296 2.581 50 0 HFAARN CCOC(=O)c1ccsc1NC(=O)CN(Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000013010432 569050057 /nfs/dbraw/zinc/05/00/57/569050057.db2.gz WRGUNNVAARRTDH-UHFFFAOYSA-N 0 0 415.515 2.888 50 0 HFAARN O[C@@H](COc1ccc(Oc2ccccc2)cc1)CN1CCN(c2ncccn2)CC1 ZINC000013013118 569050668 /nfs/dbraw/zinc/05/06/68/569050668.db2.gz RGNARYFLBDPMNC-LJQANCHMSA-N 0 0 406.486 2.831 50 0 HFAARN O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000013013362 569050918 /nfs/dbraw/zinc/05/09/18/569050918.db2.gz JGQUEPRNLMEJSB-OAHLLOKOSA-N 0 0 413.293 2.512 50 0 HFAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4)CC3)n2)cc1OC ZINC000013019056 569051009 /nfs/dbraw/zinc/05/10/09/569051009.db2.gz ABWYUPCHLSDXIS-UHFFFAOYSA-N 0 0 408.458 2.712 50 0 HFAARN CCc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc(C)c(F)c3)CC2=O)c1 ZINC000013017949 569051052 /nfs/dbraw/zinc/05/10/52/569051052.db2.gz XXXDDLCFMQBRRN-GOSISDBHSA-N 0 0 411.477 2.596 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000013022291 569051255 /nfs/dbraw/zinc/05/12/55/569051255.db2.gz MSMDKCIUDKLNJQ-OAQYLSRUSA-N 0 0 414.527 2.900 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)CC2 ZINC000524729065 569051507 /nfs/dbraw/zinc/05/15/07/569051507.db2.gz BHVCPZVCYWBAQO-OFVDUGFESA-N 0 0 419.547 2.533 50 0 biogenic HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000239402599 569054292 /nfs/dbraw/zinc/05/42/92/569054292.db2.gz QVFPOBYRKSJEMP-FRQCXROJSA-N 0 0 424.563 2.815 50 0 HFAARN COCCCN1C(=O)[C@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000247889832 569057613 /nfs/dbraw/zinc/05/76/13/569057613.db2.gz SUTNMNSFISDCJM-GTAWCEEGSA-N 0 0 422.506 2.853 50 0 HFAARN COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1OC ZINC000000894942 569060256 /nfs/dbraw/zinc/06/02/56/569060256.db2.gz HVIMPSAVGIWBBB-GOSISDBHSA-N 0 0 406.232 2.879 50 0 biogenic HFAARN COc1ccccc1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000035807269 569060812 /nfs/dbraw/zinc/06/08/12/569060812.db2.gz ZDCGAEULNLJTAZ-NHCUHLMSSA-N 0 0 409.530 2.557 50 0 HFAARN CCOc1ccc2nc(SCC(=O)NCCN3C(=O)CSC3=O)sc2c1 ZINC000006507826 569061773 /nfs/dbraw/zinc/06/17/73/569061773.db2.gz HQZIHIQYUYNDBW-UHFFFAOYSA-N 0 0 411.530 2.599 50 0 HFAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)Cc3cccc4ccccc43)C2=O)c1 ZINC000006510314 569062087 /nfs/dbraw/zinc/06/20/87/569062087.db2.gz ZAOLSAVRUCVMGY-HSZRJFAPSA-N 0 0 403.438 2.889 50 0 HFAARN CCCCNC(=O)Cn1cnc2sc(-c3nc(-c4ccncc4)no3)c(C)c2c1=O ZINC000064439272 569062220 /nfs/dbraw/zinc/06/22/20/569062220.db2.gz OALDOCOKDIWZGT-UHFFFAOYSA-N 0 0 424.486 2.795 50 0 HFAARN Nn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F ZINC000006532903 569064235 /nfs/dbraw/zinc/06/42/35/569064235.db2.gz MTVYCYMWOGDFFX-UHFFFAOYSA-N 0 0 401.511 2.975 50 0 HFAARN CC(=O)N1CCN(Cc2ccc(C(=O)OCc3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000064495750 569064549 /nfs/dbraw/zinc/06/45/49/569064549.db2.gz DSUAABLBZWMIAU-UHFFFAOYSA-N 0 0 418.497 2.893 50 0 HFAARN CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000006549373 569064854 /nfs/dbraw/zinc/06/48/54/569064854.db2.gz VQCAZGIGIKBBEA-OLZOCXBDSA-N 0 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CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)c1ccccc1OC)CC2 ZINC000064567149 569067273 /nfs/dbraw/zinc/06/72/73/569067273.db2.gz RSYJECCAYZPNFO-UHFFFAOYSA-N 0 0 412.519 2.628 50 0 HFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccn1C)C(=O)C1CC1 ZINC000035948784 569067610 /nfs/dbraw/zinc/06/76/10/569067610.db2.gz RATNVNWPBUDQKE-GOSISDBHSA-N 0 0 414.531 2.649 50 0 HFAARN CN(CCOc1ccc(Br)cc1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000006589430 569068087 /nfs/dbraw/zinc/06/80/87/569068087.db2.gz DKUZOZOWAPEINV-UHFFFAOYSA-N 0 0 405.248 2.894 50 0 HFAARN Cc1nc2ccccc2c(C)c1CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000006588965 569068175 /nfs/dbraw/zinc/06/81/75/569068175.db2.gz HEFVBZKHEKHGBN-QHCPKHFHSA-N 0 0 402.454 2.893 50 0 HFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000006599043 569069217 /nfs/dbraw/zinc/06/92/17/569069217.db2.gz HUDBDMRBIUWLRE-UHFFFAOYSA-N 0 0 414.574 2.567 50 0 HFAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000006600273 569069339 /nfs/dbraw/zinc/06/93/39/569069339.db2.gz JNPQBDMXTKNCER-HXUWFJFHSA-N 0 0 403.841 2.905 50 0 HFAARN O=C(CSc1nncn1Cc1ccco1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000054326836 569071188 /nfs/dbraw/zinc/07/11/88/569071188.db2.gz DVFKJZVKXZANKC-UHFFFAOYSA-N 0 0 408.386 2.570 50 0 HFAARN Cc1sc2[nH]c(SCC(=O)N3CCOCC3)nc(=O)c2c1-c1ccccc1 ZINC000005009534 569071569 /nfs/dbraw/zinc/07/15/69/569071569.db2.gz LQBLWIPGDLKUNL-UHFFFAOYSA-N 0 0 401.513 2.911 50 0 HFAARN C[C@H](C(=O)N(C)CC(=O)N1CCC(c2nc3ccccc3s2)CC1)n1cccn1 ZINC000054361870 569072432 /nfs/dbraw/zinc/07/24/32/569072432.db2.gz HULKKBJVROXQDF-OAHLLOKOSA-N 0 0 411.531 2.918 50 0 HFAARN CCc1nc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)no1 ZINC000426379612 569072532 /nfs/dbraw/zinc/07/25/32/569072532.db2.gz DGIPDVUULBCNFW-UHFFFAOYSA-N 0 0 401.492 2.787 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H](C)CC(N)=O)csc3C2)nc1 ZINC000426693774 569073925 /nfs/dbraw/zinc/07/39/25/569073925.db2.gz OLHUESRKRVQMEI-AWEZNQCLSA-N 0 0 400.548 2.600 50 0 HFAARN COc1cccc(-c2noc(CCCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 ZINC000426739125 569074112 /nfs/dbraw/zinc/07/41/12/569074112.db2.gz WUMIXIXGETXCCT-UHFFFAOYSA-N 0 0 407.474 2.812 50 0 HFAARN Cc1cccc(-c2ncc(C(=O)NCCN3CCOCC3)c(N3CCC(C)CC3)n2)c1 ZINC000035988635 569074321 /nfs/dbraw/zinc/07/43/21/569074321.db2.gz MXZTTXIANDPRDC-UHFFFAOYSA-N 0 0 423.561 2.750 50 0 HFAARN CCC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)c(C(=O)N2CCCC2)c1 ZINC000035992525 569074771 /nfs/dbraw/zinc/07/47/71/569074771.db2.gz GCKAETDMSJLAKT-UHFFFAOYSA-N 0 0 415.538 2.511 50 0 HFAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)C(=O)c2ccco2)c1C ZINC000036000763 569074999 /nfs/dbraw/zinc/07/49/99/569074999.db2.gz FHAUQONUXYXGJJ-UHFFFAOYSA-N 0 0 409.442 2.974 50 0 HFAARN CC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000006628296 569076076 /nfs/dbraw/zinc/07/60/76/569076076.db2.gz RJMPGDPTQQHFJG-UHFFFAOYSA-N 0 0 402.472 2.691 50 0 HFAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(NCCNC(=O)C2CCC2)n1 ZINC000036024910 569077628 /nfs/dbraw/zinc/07/76/28/569077628.db2.gz WLPOAOIYUHRBSG-UHFFFAOYSA-N 0 0 408.506 2.907 50 0 HFAARN O=C(COC(=O)C1CCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006639759 569078078 /nfs/dbraw/zinc/07/80/78/569078078.db2.gz JGKGQZGUMLBZCG-UHFFFAOYSA-N 0 0 414.911 2.796 50 0 HFAARN O=C(NCc1ccccn1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000064665398 569078181 /nfs/dbraw/zinc/07/81/81/569078181.db2.gz PKHWNWZZEUJIJK-UHFFFAOYSA-N 0 0 409.877 2.908 50 0 HFAARN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000006647904 569080731 /nfs/dbraw/zinc/08/07/31/569080731.db2.gz VZKXZABSZBSKCE-NSHDSACASA-N 0 0 414.428 2.521 50 0 HFAARN CCCCn1c2nc(COC(=O)c3sccc3C)n(CCC)c2c(=O)[nH]c1=O ZINC000006648078 569080753 /nfs/dbraw/zinc/08/07/53/569080753.db2.gz OQVMXPKIYAXDHC-UHFFFAOYSA-N 0 0 404.492 2.823 50 0 HFAARN CCCNC(=O)[C@H]1CN(C(=O)NC(C)(C)C)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044645 569081793 /nfs/dbraw/zinc/08/17/93/569081793.db2.gz OJPLFMSWYLOTSX-HOTGVXAUSA-N 0 0 421.538 2.762 50 0 HFAARN COc1ccc([C@@H]2CN(C(=O)C3CC3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000036041570 569082224 /nfs/dbraw/zinc/08/22/24/569082224.db2.gz GINVHVMRXWEWNT-PMACEKPBSA-N 0 0 422.481 2.692 50 0 HFAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000036041806 569082343 /nfs/dbraw/zinc/08/23/43/569082343.db2.gz MZVYBYFCQBCJPK-FGZHOGPDSA-N 0 0 408.498 2.718 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 ZINC000006659013 569083599 /nfs/dbraw/zinc/08/35/99/569083599.db2.gz XNWLTKVOGIEZJX-NDONDOTQSA-N 0 0 415.559 2.846 50 0 HFAARN CC[C@@H](C)N(Cc1nc(C(=O)NCCOC)co1)Cc1ccc(OC)cc1OC ZINC000036082579 569087092 /nfs/dbraw/zinc/08/70/92/569087092.db2.gz TZPNYPNSKNOKRR-OAHLLOKOSA-N 0 0 405.495 2.869 50 0 HFAARN CCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036086321 569087958 /nfs/dbraw/zinc/08/79/58/569087958.db2.gz RWPNAWXUFJFGGL-UHFFFAOYSA-N 0 0 406.486 2.508 50 0 HFAARN CCN(CC)C(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036086974 569088268 /nfs/dbraw/zinc/08/82/68/569088268.db2.gz ATFAQIKPDPWRIO-UHFFFAOYSA-N 0 0 406.486 2.541 50 0 HFAARN CCN(C)C(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n([C@@H](C)c2ccccc2)c1=O ZINC000036089039 569088956 /nfs/dbraw/zinc/08/89/56/569088956.db2.gz ISPKPBFJFCKOOY-HNNXBMFYSA-N 0 0 410.449 2.543 50 0 HFAARN CCNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000064759399 569090734 /nfs/dbraw/zinc/09/07/34/569090734.db2.gz VYFLZEZCTYHHND-UHFFFAOYSA-N 0 0 412.396 2.577 50 0 HFAARN CCc1ccc(NC(=O)Cn2c(=O)c(C(=O)NC)cnc2-c2ccc(F)cc2)cc1 ZINC000064759436 569090821 /nfs/dbraw/zinc/09/08/21/569090821.db2.gz FSEDJWMBCYWNCN-UHFFFAOYSA-N 0 0 408.433 2.610 50 0 HFAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(C)=O ZINC000036120310 569094919 /nfs/dbraw/zinc/09/49/19/569094919.db2.gz YCGHNDCPNRYJCT-GOSISDBHSA-N 0 0 420.506 2.887 50 0 HFAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 ZINC000006729037 569102182 /nfs/dbraw/zinc/10/21/82/569102182.db2.gz BSYLZRSIAQBATL-UHFFFAOYSA-N 0 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CCC(=O)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](C)C(C)C)CC1 ZINC000036210533 569111143 /nfs/dbraw/zinc/11/11/43/569111143.db2.gz CBFSQJUHDCMROX-HRAATJIYSA-N 0 0 417.550 2.603 50 0 HFAARN Cc1ccc(N2C[C@@H](c3nc(Cn4c(C)nc5ccccc5c4=O)no3)CC2=O)cc1 ZINC000064867411 569111215 /nfs/dbraw/zinc/11/12/15/569111215.db2.gz OPKIHTQRCFUJOK-INIZCTEOSA-N 0 0 415.453 2.965 50 0 HFAARN COc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC ZINC000006753189 569111720 /nfs/dbraw/zinc/11/17/20/569111720.db2.gz UJMHJWBPLUOZTC-OAQYLSRUSA-N 0 0 409.442 2.645 50 0 HFAARN COc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1OC ZINC000006753190 569111754 /nfs/dbraw/zinc/11/17/54/569111754.db2.gz UJMHJWBPLUOZTC-NRFANRHFSA-N 0 0 409.442 2.645 50 0 HFAARN CCNC(=O)N1CCC([C@@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](C)C(C)C)CC1 ZINC000036214199 569112625 /nfs/dbraw/zinc/11/26/25/569112625.db2.gz SOKHDLMDEOTKMS-FXAWDEMLSA-N 0 0 416.566 2.696 50 0 HFAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@H](C)CC)CC1 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569214005 /nfs/dbraw/zinc/21/40/05/569214005.db2.gz WQRPMAXOPOPYFA-UHFFFAOYSA-N 0 0 415.519 2.760 50 0 HFAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000524735472 569214195 /nfs/dbraw/zinc/21/41/95/569214195.db2.gz DRFKOKFJFPKYJF-IBGZPJMESA-N 0 0 424.888 2.991 50 0 HFAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000036638492 569214619 /nfs/dbraw/zinc/21/46/19/569214619.db2.gz PMGYDXJRBYQMMP-UHFFFAOYSA-N 0 0 420.252 2.930 50 0 HFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CCCCCC2)CC3)CC1 ZINC000065273776 569214767 /nfs/dbraw/zinc/21/47/67/569214767.db2.gz JXINOQSPCBNUDJ-MRXNPFEDSA-N 0 0 404.580 2.709 50 0 HFAARN C=C1C(N2CCC(NC(=O)NCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271855 569215381 /nfs/dbraw/zinc/21/53/81/569215381.db2.gz WQQLIWBMWKCZOW-UHFFFAOYSA-N 0 0 422.526 2.718 50 0 HFAARN C=C1C(N2CCCN(C(=O)N[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271961 569215392 /nfs/dbraw/zinc/21/53/92/569215392.db2.gz LKQHSZPVMGKSJY-AWEZNQCLSA-N 0 0 422.526 2.814 50 0 HFAARN C=C1C(N2CCC(NC(=O)NCCC)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271867 569215399 /nfs/dbraw/zinc/21/53/99/569215399.db2.gz FEKCLTYWDDWHMI-UHFFFAOYSA-N 0 0 418.563 2.896 50 0 HFAARN C=C1C(N2CCCN(C(=O)NCCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271972 569215432 /nfs/dbraw/zinc/21/54/32/569215432.db2.gz NXFAPZOAWYMLFP-UHFFFAOYSA-N 0 0 418.563 2.904 50 0 HFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272733 569215860 /nfs/dbraw/zinc/21/58/60/569215860.db2.gz YPUQFFMLXARPND-ZDUSSCGKSA-N 0 0 414.483 2.693 50 0 HFAARN COc1cccc(NC(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272755 569215871 /nfs/dbraw/zinc/21/58/71/569215871.db2.gz GKMSKUOELSQLAL-AWEZNQCLSA-N 0 0 400.500 2.973 50 0 HFAARN COc1cccc(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272730 569215887 /nfs/dbraw/zinc/21/58/87/569215887.db2.gz ABUQBYFMOYBZHZ-MRXNPFEDSA-N 0 0 414.527 2.650 50 0 HFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CCCCCC2)CC3)CC1 ZINC000065273298 569216064 /nfs/dbraw/zinc/21/60/64/569216064.db2.gz JDZJLDHZDUDGCL-MRXNPFEDSA-N 0 0 404.580 2.756 50 0 HFAARN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)cc1 ZINC000065273293 569216099 /nfs/dbraw/zinc/21/60/99/569216099.db2.gz YMIFNRMLZQHUAL-HNNXBMFYSA-N 0 0 414.531 2.564 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 ZINC000036650473 569216531 /nfs/dbraw/zinc/21/65/31/569216531.db2.gz WDRIGWQUACDYGT-YWZLYKJASA-N 0 0 418.515 2.562 50 0 HFAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3C[C@@H]3C)C2=O)cc(OC)c1OC ZINC000007061735 569216966 /nfs/dbraw/zinc/21/69/66/569216966.db2.gz MQSBRRYKZXDKEO-KKUNFNHNSA-N 0 0 420.487 2.521 50 0 HFAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C(=O)[C@@H]2C)cc1 ZINC000007082733 569217394 /nfs/dbraw/zinc/21/73/94/569217394.db2.gz ZQYONLPBQAHUBT-INIZCTEOSA-N 0 0 420.469 2.918 50 0 HFAARN COc1cccc(C(=O)NCC(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000007084462 569217549 /nfs/dbraw/zinc/21/75/49/569217549.db2.gz 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Cc1cc2nn(CC(=O)N3CCC(C)CC3)c(=O)n2c(Nc2ccc(C)c(C)c2)n1 ZINC000065307848 569219954 /nfs/dbraw/zinc/21/99/54/569219954.db2.gz XYIAEVRFSIKWGJ-UHFFFAOYSA-N 0 0 408.506 2.818 50 0 HFAARN C[C@@H]1CCCN(c2ccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc3n2)C1 ZINC000065307997 569220042 /nfs/dbraw/zinc/22/00/42/569220042.db2.gz VTOGPINWUZCIPI-GFCCVEGCSA-N 0 0 418.860 2.559 50 0 HFAARN CC1CCN(C(=O)c2cc(NC(=O)COc3ccc(Cl)cc3)c(=O)n(C)c2)CC1 ZINC000036685884 569220289 /nfs/dbraw/zinc/22/02/89/569220289.db2.gz CSLNGSJAUKIWNB-UHFFFAOYSA-N 0 0 417.893 2.928 50 0 HFAARN COc1cccc(C(=O)Nc2cc(C(=O)N3CCC(C)CC3)cn(C)c2=O)c1OC ZINC000036685878 569220321 /nfs/dbraw/zinc/22/03/21/569220321.db2.gz AEXPTBZNEANDAC-UHFFFAOYSA-N 0 0 413.474 2.527 50 0 HFAARN CC(=O)c1cccc(NC(=O)CN2CCCN(Cc3ccccc3C)S2(=O)=O)c1 ZINC000065304968 569220405 /nfs/dbraw/zinc/22/04/05/569220405.db2.gz RAGHSENAQDEFSJ-UHFFFAOYSA-N 0 0 415.515 2.589 50 0 HFAARN CCOc1ccccc1CNC(=O)CN1c2c(C)cccc2C(=O)N2CCC[C@H]2C1=O ZINC000065306918 569220770 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COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)ccc1OCC(N)=O ZINC000065331577 569225877 /nfs/dbraw/zinc/22/58/77/569225877.db2.gz BJRSLPSQAPPWCJ-MRXNPFEDSA-N 0 0 406.442 2.528 50 0 HFAARN Cc1ccccc1-c1noc(CCC(=O)NCCN2Cc3ccccc3OCC2=O)n1 ZINC000238947534 569228780 /nfs/dbraw/zinc/22/87/80/569228780.db2.gz WOIDQVPMOUYUFF-UHFFFAOYSA-N 0 0 420.469 2.515 50 0 HFAARN Nn1c(Cc2cccc3ccccc32)nnc1SCn1nnc2ccccc2c1=O ZINC000007238823 569230204 /nfs/dbraw/zinc/23/02/04/569230204.db2.gz AQUTVKRVPVYJCH-UHFFFAOYSA-N 0 0 415.482 2.591 50 0 aggregator HFAARN Cc1cc(=O)c(C(=O)NCCCn2cnc3ccccc32)nn1-c1ccccc1F ZINC000007256694 569230585 /nfs/dbraw/zinc/23/05/85/569230585.db2.gz YYSNOLONQKNRBW-UHFFFAOYSA-N 0 0 405.433 2.850 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000007263831 569230818 /nfs/dbraw/zinc/23/08/18/569230818.db2.gz MZKYOPBKRBWGLD-UHFFFAOYSA-N 0 0 402.394 2.973 50 0 HFAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000007285675 569231981 /nfs/dbraw/zinc/23/19/81/569231981.db2.gz DKAXKQVMXNUPKK-UHFFFAOYSA-N 0 0 410.543 2.720 50 0 HFAARN O=C(CSc1nncn1-c1cccc(Cl)c1)NC[C@@H]1COc2ccccc2O1 ZINC000007319101 569233391 /nfs/dbraw/zinc/23/33/91/569233391.db2.gz JJPJKJKNTVJDFL-OAHLLOKOSA-N 0 0 416.890 2.969 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007364407 569235603 /nfs/dbraw/zinc/23/56/03/569235603.db2.gz LVRDUYKEZQNMGU-BEFAXECRSA-N 0 0 400.504 2.588 50 0 HFAARN COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(N3CCOC3=O)cc2)c1 ZINC000065578991 569236221 /nfs/dbraw/zinc/23/62/21/569236221.db2.gz OOFDAIUTMKSTGV-KRWDZBQOSA-N 0 0 401.419 2.516 50 0 HFAARN CC(C)c1ccc(-c2nnn(CC(=O)N(C)C[C@@H]3COc4ccccc4O3)n2)cc1 ZINC000007414358 569237199 /nfs/dbraw/zinc/23/71/99/569237199.db2.gz RUTIPYIWMLHXEO-GOSISDBHSA-N 0 0 407.474 2.762 50 0 HFAARN CC(C)c1ccc(-c2nnn(CC(=O)N(C)C[C@H]3COc4ccccc4O3)n2)cc1 ZINC000007414362 569237201 /nfs/dbraw/zinc/23/72/01/569237201.db2.gz RUTIPYIWMLHXEO-SFHVURJKSA-N 0 0 407.474 2.762 50 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569369680 /nfs/dbraw/zinc/36/96/80/569369680.db2.gz STGSMKLAKTWIFK-SUMWQHHRSA-N 0 0 403.276 2.916 50 0 HFAARN COCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002338632 569376140 /nfs/dbraw/zinc/37/61/40/569376140.db2.gz KJSDIPYAMZYZPW-UHFFFAOYSA-N 0 0 406.398 2.688 50 0 HFAARN COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)N1CCOCC1 ZINC000002344079 569376493 /nfs/dbraw/zinc/37/64/93/569376493.db2.gz XIANZZSNZUONAI-HKWRFOASSA-N 0 0 419.481 2.817 50 0 HFAARN COc1cccc(-c2cc(C(=O)NCc3cc(-c4cccnc4)nn3C)n(C)n2)c1 ZINC000253471205 569381182 /nfs/dbraw/zinc/38/11/82/569381182.db2.gz BMDVIMPQWWOSPY-UHFFFAOYSA-N 0 0 402.458 2.821 50 0 HFAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472637 569381624 /nfs/dbraw/zinc/38/16/24/569381624.db2.gz OAGKCZAVYYJNBZ-OAHLLOKOSA-N 0 0 404.850 2.863 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1OC ZINC000253487681 569381764 /nfs/dbraw/zinc/38/17/64/569381764.db2.gz NYRGXQKQJYLSSV-AQKFKSFVSA-N 0 0 409.530 2.557 50 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569399319 /nfs/dbraw/zinc/39/93/19/569399319.db2.gz YVBKAHRBBICCLR-UHFFFAOYSA-N 0 0 404.370 2.932 50 0 HFAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000012390330 569400752 /nfs/dbraw/zinc/40/07/52/569400752.db2.gz CVJFNDBPEJNQER-UHFFFAOYSA-N 0 0 407.470 2.786 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012663025 569402730 /nfs/dbraw/zinc/40/27/30/569402730.db2.gz DUMQOXHYOYEYFW-JEWRLFTDSA-N 0 0 403.523 2.733 50 0 biogenic HFAARN COc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000007949036 569403098 /nfs/dbraw/zinc/40/30/98/569403098.db2.gz MGXPOFVTTBGHSC-UHFFFAOYSA-N 0 0 414.487 2.998 50 0 HFAARN O=C(CC1CCCCC1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000013036872 569407625 /nfs/dbraw/zinc/40/76/25/569407625.db2.gz OEHXUTSGRODPOX-UHFFFAOYSA-N 0 0 423.496 2.969 50 0 HFAARN CCc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000013040705 569407968 /nfs/dbraw/zinc/40/79/68/569407968.db2.gz 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CCn1c(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)nc2ccccc21 ZINC000045847223 523194088 /nfs/dbraw/zinc/19/40/88/523194088.db2.gz LPYLBAZZTCJFQM-UHFFFAOYSA-N 0 0 412.515 2.675 50 0 HFAARN COc1ccc(-c2nc(CSc3nc(C)c(CCO)c(=O)[nH]3)c(C)o2)cc1OC ZINC000045924920 523213489 /nfs/dbraw/zinc/21/34/89/523213489.db2.gz VLPPSGFEFNKELY-UHFFFAOYSA-N 0 0 417.487 2.886 50 0 HFAARN CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ncccc2c1=O ZINC000032876462 523226231 /nfs/dbraw/zinc/22/62/31/523226231.db2.gz DXIWMSOJNHGDBA-UHFFFAOYSA-N 0 0 400.460 2.559 50 0 HFAARN COCc1nn2c(nnc3c2ccn(C[C@H]2CCCO2)c3=O)c1-c1ccc(F)cc1 ZINC000040392308 523250487 /nfs/dbraw/zinc/25/04/87/523250487.db2.gz QRSSFXBSFRSYMS-OAHLLOKOSA-N 0 0 409.421 2.571 50 0 HFAARN CCn1cc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCCO4)n2C)cn1 ZINC000032647794 523302801 /nfs/dbraw/zinc/30/28/01/523302801.db2.gz XFBAVKJCZRDYRO-UHFFFAOYSA-N 0 0 414.491 2.591 50 0 HFAARN COc1ccc(/C=C/C(=O)N[C@@H](C(=O)NCCCn2nc(C)cc2C)C(C)C)cc1 ZINC000040160396 523394801 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CCc1ccc(CN(Cc2cccnc2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000032678910 523922359 /nfs/dbraw/zinc/92/23/59/523922359.db2.gz DQTIDDHOWZZSED-XMMPIXPASA-N 0 0 420.513 2.893 50 0 HFAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000032850813 523959975 /nfs/dbraw/zinc/95/99/75/523959975.db2.gz CEXNUUSOJRSENR-GOSISDBHSA-N 0 0 408.907 2.682 50 0 HFAARN COc1ccc(CCNC(=O)NCCn2nc(-c3cnccn3)cc2C2CC2)cc1 ZINC000238876361 523963268 /nfs/dbraw/zinc/96/32/68/523963268.db2.gz ODFZUXQERKZJEO-UHFFFAOYSA-N 0 0 406.490 2.768 50 0 HFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1 ZINC000032103871 523966027 /nfs/dbraw/zinc/96/60/27/523966027.db2.gz CJJXTFHFLRJXQF-GOSISDBHSA-N 0 0 422.533 2.832 50 0 HFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)cc1 ZINC000032103873 523967142 /nfs/dbraw/zinc/96/71/42/523967142.db2.gz CJJXTFHFLRJXQF-SFHVURJKSA-N 0 0 422.533 2.832 50 0 HFAARN CCc1ccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)cc1 ZINC000032933603 523971974 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419.481 2.899 50 0 HFAARN O=C(CCn1cnnn1)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000012438142 558409757 /nfs/dbraw/zinc/40/97/57/558409757.db2.gz FLCKSYZQRQIYGC-GOSISDBHSA-N 0 0 422.464 2.747 50 0 HFAARN Cc1ccc(C)c(-n2ncc3c2NC(=O)C[C@@]32c3ccccc3N(CC(N)=O)C2=O)c1 ZINC000020745389 558410153 /nfs/dbraw/zinc/41/01/53/558410153.db2.gz AZTVHKCMLILEGF-HSZRJFAPSA-N 0 0 415.453 2.599 50 0 HFAARN COCCCn1c(CN2CCC(Cc3ccccc3)CC2)cnc1S(C)(=O)=O ZINC000012439125 558410506 /nfs/dbraw/zinc/41/05/06/558410506.db2.gz HHFXKWAWTFSZIA-UHFFFAOYSA-N 0 0 405.564 2.778 50 0 HFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)c(OC)c1 ZINC000020746117 558411187 /nfs/dbraw/zinc/41/11/87/558411187.db2.gz CPZZBKLMFIZNQU-AWEZNQCLSA-N 0 0 408.410 2.802 50 0 HFAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCOCC4)c3C3CC3)n2)c1 ZINC000012457233 558417759 /nfs/dbraw/zinc/41/77/59/558417759.db2.gz NZVOVDLCIWQYHE-UHFFFAOYSA-N 0 0 405.458 2.688 50 0 HFAARN CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C1(C(N)=O)CC1 ZINC000012457912 558418005 /nfs/dbraw/zinc/41/80/05/558418005.db2.gz DHPXRMUUWWXZCZ-QGZVFWFLSA-N 0 0 407.518 2.508 50 0 HFAARN CCCS(=O)(=O)c1ncc(CN(C)CCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000020877776 558419755 /nfs/dbraw/zinc/41/97/55/558419755.db2.gz BJJFPAGFUZAMNK-FQEVSTJZSA-N 0 0 405.564 2.920 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cc(OC)c(OC)cc2Br)C1 ZINC000020902649 558420698 /nfs/dbraw/zinc/42/06/98/558420698.db2.gz HDYKXZIVUWCHPN-GFCCVEGCSA-N 0 0 414.296 2.811 50 0 HFAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1 ZINC000020902826 558420758 /nfs/dbraw/zinc/42/07/58/558420758.db2.gz OLSVFJKZDFTKRW-UHFFFAOYSA-N 0 0 404.514 2.969 50 0 HFAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN2CCOCC2)cc1 ZINC000020902885 558420815 /nfs/dbraw/zinc/42/08/15/558420815.db2.gz OLPHIKLPFPONBM-UHFFFAOYSA-N 0 0 420.513 2.669 50 0 HFAARN CN1CCN(C(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020939681 558424585 /nfs/dbraw/zinc/42/45/85/558424585.db2.gz FEFKXXYIJDUTEO-UHFFFAOYSA-N 0 0 411.531 2.542 50 0 HFAARN O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000010704891 558425391 /nfs/dbraw/zinc/42/53/91/558425391.db2.gz ODNAENOFFOLIMP-UHFFFAOYSA-N 0 0 402.560 2.707 50 0 HFAARN CCN(Cc1ccccc1)C(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000021023871 558429602 /nfs/dbraw/zinc/42/96/02/558429602.db2.gz MAQZVWYHAHXBOK-UHFFFAOYSA-N 0 0 405.433 2.746 50 0 HFAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CSc1cccc[n+]1[O-] ZINC000021120040 558431448 /nfs/dbraw/zinc/43/14/48/558431448.db2.gz KAGCOULAEQOBAU-UHFFFAOYSA-N 0 0 404.488 2.900 50 0 HFAARN CN(C)C(=O)c1cccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 ZINC000021138983 558432158 /nfs/dbraw/zinc/43/21/58/558432158.db2.gz RQCUAXIQHJXTBJ-UHFFFAOYSA-N 0 0 401.772 2.861 50 0 HFAARN Cc1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3cccnc32)cc1C ZINC000021158008 558432722 /nfs/dbraw/zinc/43/27/22/558432722.db2.gz TWJVQXRLQGGVLT-UHFFFAOYSA-N 0 0 420.494 2.924 50 0 HFAARN Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000012582500 558432890 /nfs/dbraw/zinc/43/28/90/558432890.db2.gz QKUYWMGXYMYAGH-HSZRJFAPSA-N 0 0 416.525 2.892 50 0 HFAARN Cc1nc2ccccc2n1CCNC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O ZINC000010737299 558433391 /nfs/dbraw/zinc/43/33/91/558433391.db2.gz FNJDJTLVQKBCIX-UHFFFAOYSA-N 0 0 404.470 2.846 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)c2csc3c2CC[C@H](C)C3)cc1S(N)(=O)=O ZINC000021258537 558434432 /nfs/dbraw/zinc/43/44/32/558434432.db2.gz XSRMBEIADNSIRY-NSHDSACASA-N 0 0 422.528 2.624 50 0 HFAARN CNS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000010745265 558435773 /nfs/dbraw/zinc/43/57/73/558435773.db2.gz REDAXSTYXYQUGN-UHFFFAOYSA-N 0 0 423.343 2.521 50 0 HFAARN CNS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010745085 558435833 /nfs/dbraw/zinc/43/58/33/558435833.db2.gz SPQHGWJJHBCEND-UHFFFAOYSA-N 0 0 423.343 2.521 50 0 HFAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)CCC2CCOCC2)CC1 ZINC000012594022 558436884 /nfs/dbraw/zinc/43/68/84/558436884.db2.gz QBXGYJNGMGSZQG-UHFFFAOYSA-N 0 0 418.534 2.592 50 0 HFAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000004354472 558439979 /nfs/dbraw/zinc/43/99/79/558439979.db2.gz FMQBFHHHHYLGHM-HNNXBMFYSA-N 0 0 413.524 2.692 50 0 HFAARN COc1cc2ncn(CCCC(=O)NCc3ccc(C)c(F)c3)c(=O)c2cc1OC ZINC000010765731 558441375 /nfs/dbraw/zinc/44/13/75/558441375.db2.gz QCZLZOQFCCAJAM-UHFFFAOYSA-N 0 0 413.449 2.958 50 0 HFAARN Cc1ccc(C)c(C(=O)COC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010762221 558442209 /nfs/dbraw/zinc/44/22/09/558442209.db2.gz YEGWDNHYDJHCMB-UHFFFAOYSA-N 0 0 418.467 2.665 50 0 HFAARN CC(=O)Nc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000010767798 558443914 /nfs/dbraw/zinc/44/39/14/558443914.db2.gz GJFARTGLNWMHCB-UHFFFAOYSA-N 0 0 421.544 2.811 50 0 HFAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccccc1 ZINC000012654755 558444495 /nfs/dbraw/zinc/44/44/95/558444495.db2.gz IWOHVTFUBZVHJG-UHFFFAOYSA-N 0 0 403.460 2.965 50 0 HFAARN CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3cccc(OC)c3)nn2)CC1 ZINC000004356507 558444756 /nfs/dbraw/zinc/44/47/56/558444756.db2.gz AYMPEQNUZOASAW-UHFFFAOYSA-N 0 0 416.503 2.545 50 0 HFAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O ZINC000021702846 558446241 /nfs/dbraw/zinc/44/62/41/558446241.db2.gz DYPSVIJYCGUNRQ-YWZLYKJASA-N 0 0 424.831 2.963 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Br)s1 ZINC000021707564 558446464 /nfs/dbraw/zinc/44/64/64/558446464.db2.gz NGDHUJAXJMHEQU-UHFFFAOYSA-N 0 0 415.334 2.964 50 0 HFAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)ccc1O ZINC000021726540 558447143 /nfs/dbraw/zinc/44/71/43/558447143.db2.gz ROHJZBZCGZSOIR-CYBMUJFWSA-N 0 0 405.418 2.765 50 0 HFAARN COc1ccc(CCCN2C(=O)O[C@@H]3CN(c4ccnc(SC)n4)C[C@@H]32)cc1 ZINC000012703018 558448406 /nfs/dbraw/zinc/44/84/06/558448406.db2.gz HWDJPLWHRSHFPR-DLBZAZTESA-N 0 0 400.504 2.849 50 0 HFAARN CN1C(=O)c2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2C1=O ZINC000021834513 558451419 /nfs/dbraw/zinc/45/14/19/558451419.db2.gz YAQCOSCGLWITCI-UHFFFAOYSA-N 0 0 422.466 2.611 50 0 HFAARN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000021847547 558452239 /nfs/dbraw/zinc/45/22/39/558452239.db2.gz GBCIJKJMIQSGAX-INIZCTEOSA-N 0 0 409.486 2.763 50 0 HFAARN Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3C)cc1Cl ZINC000021873412 558453324 /nfs/dbraw/zinc/45/33/24/558453324.db2.gz OTAHVRCWQGGTCM-UHFFFAOYSA-N 0 0 401.902 2.813 50 0 HFAARN CCCCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000021900424 558454794 /nfs/dbraw/zinc/45/47/94/558454794.db2.gz SWSVPMRECGFUAZ-LBPRGKRZSA-N 0 0 411.351 2.983 50 0 HFAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000012745193 558458154 /nfs/dbraw/zinc/45/81/54/558458154.db2.gz ZGQKLHDBKVNTBR-QFIPXVFZSA-N 0 0 401.482 2.906 50 0 HFAARN CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)CSc2nncn2C)CC1 ZINC000012763344 558461448 /nfs/dbraw/zinc/46/14/48/558461448.db2.gz WRDLJYHITWKTKM-UHFFFAOYSA-N 0 0 415.563 2.585 50 0 HFAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)c1 ZINC000005241433 558463954 /nfs/dbraw/zinc/46/39/54/558463954.db2.gz AZULPRZKUDAISA-UHFFFAOYSA-N 0 0 417.443 2.800 50 0 HFAARN COc1ccc(NC(=O)c2occc2COc2ccccc2)cc1S(N)(=O)=O ZINC000012788767 558464204 /nfs/dbraw/zinc/46/42/04/558464204.db2.gz RVJIRVGPNYNSNH-UHFFFAOYSA-N 0 0 402.428 2.767 50 0 HFAARN O=C(CN1c2ccccc2OCCC1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012791714 558465974 /nfs/dbraw/zinc/46/59/74/558465974.db2.gz BFOSESPRRKWKHS-UHFFFAOYSA-N 0 0 421.497 2.745 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H]1CCCCNC1=O)n2CC ZINC000022202050 558466621 /nfs/dbraw/zinc/46/66/21/558466621.db2.gz DGTKXZVVNYWKMU-QGZVFWFLSA-N 0 0 424.592 2.848 50 0 HFAARN O=c1[nH]nc(SC[C@@H]2CN(Cc3ccccc3)CCO2)n1CCc1ccccc1 ZINC000012796923 558469580 /nfs/dbraw/zinc/46/95/80/558469580.db2.gz SYGBLZBVJVSMOB-FQEVSTJZSA-N 0 0 410.543 2.807 50 0 HFAARN NC(=O)CCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C1CC1 ZINC000012804989 558473205 /nfs/dbraw/zinc/47/32/05/558473205.db2.gz XDOSQWAFMZGMPA-UHFFFAOYSA-N 0 0 413.425 2.781 50 0 HFAARN COc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3Cl)CC2=O)cc1OC ZINC000004374595 558475296 /nfs/dbraw/zinc/47/52/96/558475296.db2.gz VZPYSZPIYBAUIP-AWEZNQCLSA-N 0 0 403.866 2.962 50 0 HFAARN O=C(NCCc1c[nH]c2ccccc12)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004374531 558475308 /nfs/dbraw/zinc/47/53/08/558475308.db2.gz IOQXLTBHPDUSOG-INIZCTEOSA-N 0 0 420.469 2.586 50 0 HFAARN CCc1[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1C(=O)OC ZINC000022312799 558477693 /nfs/dbraw/zinc/47/76/93/558477693.db2.gz IZUXUFYGMXLPOI-GFCCVEGCSA-N 0 0 416.430 2.627 50 0 HFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(C)ccc2C)n(C)c1=O ZINC000004370524 558479716 /nfs/dbraw/zinc/47/97/16/558479716.db2.gz DDPUXEPRDDTOMI-HNNXBMFYSA-N 0 0 407.474 2.522 50 0 HFAARN Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(C(N)=O)cc4)CC3=O)c2c1 ZINC000012866524 558481763 /nfs/dbraw/zinc/48/17/63/558481763.db2.gz QTCCNBSIOSGOIK-KRWDZBQOSA-N 0 0 404.470 2.605 50 0 HFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n3C)n1C ZINC000004386564 558487501 /nfs/dbraw/zinc/48/75/01/558487501.db2.gz JQAHXRFCPKSLRX-UHFFFAOYSA-N 0 0 406.273 2.658 50 0 HFAARN Cc1c(Cl)cnn1[C@H](C)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 ZINC000022438442 558489712 /nfs/dbraw/zinc/48/97/12/558489712.db2.gz XHZQFQMIQLTKJN-OAHLLOKOSA-N 0 0 416.913 2.727 50 0 HFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000012973734 558490242 /nfs/dbraw/zinc/49/02/42/558490242.db2.gz UKJQEXNVGOZPHA-UHFFFAOYSA-N 0 0 402.520 2.622 50 0 HFAARN CC(C)c1ccccc1OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012975708 558491205 /nfs/dbraw/zinc/49/12/05/558491205.db2.gz KMBUDEVCAZEFMD-UHFFFAOYSA-N 0 0 416.543 2.863 50 0 HFAARN CC(C)[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000012975525 558491252 /nfs/dbraw/zinc/49/12/52/558491252.db2.gz FEXNNGVSRFBPIQ-SFHVURJKSA-N 0 0 405.476 2.624 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCOc3ccccc32)c(C)c1NS(C)(=O)=O ZINC000059773462 558492409 /nfs/dbraw/zinc/49/24/09/558492409.db2.gz SBTSTDGPUXKZRS-UHFFFAOYSA-N 0 0 410.517 2.571 50 0 HFAARN Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)c1 ZINC000012978878 558492746 /nfs/dbraw/zinc/49/27/46/558492746.db2.gz QLFLJHFLOYLQHW-VFNWGFHPSA-N 0 0 404.413 2.789 50 0 HFAARN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1F)C2=O ZINC000022522863 558495013 /nfs/dbraw/zinc/49/50/13/558495013.db2.gz OQRMVLUAOJVISI-LLVKDONJSA-N 0 0 418.808 2.954 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000012994304 558497916 /nfs/dbraw/zinc/49/79/16/558497916.db2.gz FAOKNFLLZUQBOD-UHFFFAOYSA-N 0 0 412.515 2.985 50 0 HFAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCN(C)CC1)CCC2 ZINC000022576972 558499690 /nfs/dbraw/zinc/49/96/90/558499690.db2.gz CISXNPSOYFONRF-UHFFFAOYSA-N 0 0 412.559 2.983 50 0 HFAARN COCCN1C(=O)N[C@H](c2ccc(F)c(Br)c2)C(C(=O)OC)=C1C ZINC000013005660 558501790 /nfs/dbraw/zinc/50/17/90/558501790.db2.gz UXCNOUXVMSDIJA-CQSZACIVSA-N 0 0 401.232 2.748 50 0 HFAARN CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000013040758 558506954 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/nfs/dbraw/zinc/90/32/71/558903271.db2.gz OHBOHYGAZCDZAM-UHFFFAOYSA-N 0 0 418.519 2.974 50 0 HFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c(C)o1 ZINC000058157741 558903383 /nfs/dbraw/zinc/90/33/83/558903383.db2.gz ZYIVWPGOQQFFRY-CQSZACIVSA-N 0 0 412.446 2.606 50 0 HFAARN CCCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000058161288 558905433 /nfs/dbraw/zinc/90/54/33/558905433.db2.gz NFVRIGVCTHVSHM-KRWDZBQOSA-N 0 0 421.540 2.909 50 0 HFAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000004696345 558905910 /nfs/dbraw/zinc/90/59/10/558905910.db2.gz OFQVEQHZFWRPSZ-SFHVURJKSA-N 0 0 404.488 2.795 50 0 HFAARN C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1 ZINC000058166727 558907044 /nfs/dbraw/zinc/90/70/44/558907044.db2.gz UXCJGVCQHPDYKS-OAHLLOKOSA-N 0 0 412.465 2.888 50 0 HFAARN Cc1cnc(CNC(=O)C[C@@]2(Cc3ccccc3)c3ccccc3N(C)C2=O)cn1 ZINC000071759115 558909883 /nfs/dbraw/zinc/90/98/83/558909883.db2.gz PBDQVNPFOHJDLV-DEOSSOPVSA-N 0 0 400.482 2.948 50 0 HFAARN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000058180677 558910303 /nfs/dbraw/zinc/91/03/03/558910303.db2.gz VMJKLGBPMUSACL-YJBOKZPZSA-N 0 0 407.555 2.929 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000019533654 558913194 /nfs/dbraw/zinc/91/31/94/558913194.db2.gz VLFCJAFIEOTCCQ-UHFFFAOYSA-N 0 0 418.515 2.629 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000019538977 558914204 /nfs/dbraw/zinc/91/42/04/558914204.db2.gz SGMPLUPZNXXVPJ-AZUAARDMSA-N 0 0 400.567 2.500 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000058244265 558914323 /nfs/dbraw/zinc/91/43/23/558914323.db2.gz NDSQODWCJSUDMR-ROUUACIJSA-N 0 0 422.572 2.776 50 0 HFAARN Cc1n[nH]c(C)c1CNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000058314131 558919226 /nfs/dbraw/zinc/91/92/26/558919226.db2.gz ZJVCHZKRIAKBLI-UHFFFAOYSA-N 0 0 405.380 2.830 50 0 HFAARN Cc1ccc(Br)cc1S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000058357949 558921688 /nfs/dbraw/zinc/92/16/88/558921688.db2.gz NTDSJDQEWYLEBQ-UHFFFAOYSA-N 0 0 407.330 2.903 50 0 HFAARN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cccnc1-n1cccn1 ZINC000058369293 558922640 /nfs/dbraw/zinc/92/26/40/558922640.db2.gz WNPVBPBQKCPDIY-DYESRHJHSA-N 0 0 417.513 2.883 50 0 HFAARN Cc1nc2ccccc2c(=O)n1Cc1noc(C(=O)NCCc2ccc(Cl)cc2)n1 ZINC000033255799 558923566 /nfs/dbraw/zinc/92/35/66/558923566.db2.gz ZVCUPSSZMBFQKG-UHFFFAOYSA-N 0 0 423.860 2.762 50 0 HFAARN Cc1nnc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2)n1C ZINC000058403467 558924142 /nfs/dbraw/zinc/92/41/42/558924142.db2.gz YPGLLBSGURWHLO-OXJNMPFZSA-N 0 0 407.449 2.521 50 0 HFAARN CCn1c(=O)c(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)nc2cccnc21 ZINC000033258931 558925945 /nfs/dbraw/zinc/92/59/45/558925945.db2.gz VEQYUQVZFLDMLD-INIZCTEOSA-N 0 0 405.502 2.905 50 0 HFAARN Cc1ccn(-c2ccc(NCCNC(=O)c3ccc(Br)cc3)nn2)n1 ZINC000072115758 558926757 /nfs/dbraw/zinc/92/67/57/558926757.db2.gz OMCNVYAEUQEURG-UHFFFAOYSA-N 0 0 401.268 2.575 50 0 HFAARN O=C(NCCn1ccc2cc(Br)ccc21)c1ccc(-n2cnnn2)cc1 ZINC000072401242 558935760 /nfs/dbraw/zinc/93/57/60/558935760.db2.gz JEQPJZDLEKWWLK-UHFFFAOYSA-N 0 0 411.263 2.810 50 0 HFAARN CCS(=O)(=O)c1ccccc1C(=O)NC1CCN(Cc2ccccc2OC)CC1 ZINC000059921243 558939947 /nfs/dbraw/zinc/93/99/47/558939947.db2.gz JFCRURVMQNEHLV-UHFFFAOYSA-N 0 0 416.543 2.883 50 0 HFAARN CC(C)NC(=O)COC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000060094598 558941095 /nfs/dbraw/zinc/94/10/95/558941095.db2.gz QHLYOMLLSQGIFQ-UHFFFAOYSA-N 0 0 401.488 2.956 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(OC)cc3OC)n2)c(F)c1 ZINC000061718520 558946268 /nfs/dbraw/zinc/94/62/68/558946268.db2.gz XTFOOSWJOQLTSL-UHFFFAOYSA-N 0 0 413.405 2.714 50 0 HFAARN O=C(NCc1nnc2n1CCCCC2)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019661455 558952451 /nfs/dbraw/zinc/95/24/51/558952451.db2.gz DJSDXEHAHTVBAS-UHFFFAOYSA-N 0 0 422.455 2.951 50 0 HFAARN O=C(CN1CCN(Cc2c(F)cccc2Cl)CC1)Nc1cccc2nonc21 ZINC000096465818 558952927 /nfs/dbraw/zinc/95/29/27/558952927.db2.gz IPZVGULYEXSXQP-UHFFFAOYSA-N 0 0 403.845 2.772 50 0 HFAARN Cc1ccc2c(c1)N(C(=O)Cn1cnc3nc4c(cc3c1=O)C[C@@H](C)CC4)CCO2 ZINC000033059770 558954003 /nfs/dbraw/zinc/95/40/03/558954003.db2.gz IUEUOGZZKXEGFW-AWEZNQCLSA-N 0 0 404.470 2.650 50 0 HFAARN CCN(Cc1nccn1C)C(=O)c1cc(-c2cnc(N)nc2)nc2c(C)cccc12 ZINC000063855656 558959622 /nfs/dbraw/zinc/95/96/22/558959622.db2.gz GHPRLJYEQGQKRG-UHFFFAOYSA-N 0 0 401.474 2.978 50 0 HFAARN CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2cc(OC)cc(OC)c2)nc1N ZINC000021871713 558959982 /nfs/dbraw/zinc/95/99/82/558959982.db2.gz SKJKNMZZTBXXFN-HNNXBMFYSA-N 0 0 420.491 2.762 50 0 HFAARN CCOC(=O)c1cnc(S[C@H](CC)C(=O)Nc2cc(OC)ccc2OC)nc1N ZINC000021871565 558959985 /nfs/dbraw/zinc/95/99/85/558959985.db2.gz ZZEDFFDHQIOPDX-OAHLLOKOSA-N 0 0 420.491 2.762 50 0 HFAARN CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2cc(OC)ccc2OC)nc1N ZINC000021871561 558959987 /nfs/dbraw/zinc/95/99/87/558959987.db2.gz ZZEDFFDHQIOPDX-HNNXBMFYSA-N 0 0 420.491 2.762 50 0 HFAARN CCc1noc2ncnc(N3CCC[C@@H](C(=O)NCCc4ccccc4OC)C3)c12 ZINC000021881601 558962684 /nfs/dbraw/zinc/96/26/84/558962684.db2.gz DHWMNAVKMPQRNZ-MRXNPFEDSA-N 0 0 409.490 2.764 50 0 HFAARN Cc1cccc(CNC(=O)c2nn(C)c3c2CN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000064892979 558966628 /nfs/dbraw/zinc/96/66/28/558966628.db2.gz RZSSFCRERDXXPS-UHFFFAOYSA-N 0 0 406.461 2.996 50 0 HFAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)Nc1ccc(F)cc1F)C2 ZINC000064893668 558966959 /nfs/dbraw/zinc/96/69/59/558966959.db2.gz NHZRCJOVLRUVTR-UHFFFAOYSA-N 0 0 403.433 2.915 50 0 HFAARN COc1cccc(-c2ccc(=O)n(CN3CCc4cc(OC)c(OC)cc4C3)n2)c1 ZINC000072403966 558968023 /nfs/dbraw/zinc/96/80/23/558968023.db2.gz RRKIFNIXTFPDCS-UHFFFAOYSA-N 0 0 407.470 2.952 50 0 HFAARN COc1ccccc1NC(=O)CCCc1nnc2ccc(-n3nc(C)cc3C)nn21 ZINC000072403974 558968225 /nfs/dbraw/zinc/96/82/25/558968225.db2.gz CEQHIGPSKCYSMP-UHFFFAOYSA-N 0 0 405.462 2.897 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N[C@H]2COc3ccc(Br)cc3C2)cc1 ZINC000065330399 558971360 /nfs/dbraw/zinc/97/13/60/558971360.db2.gz PMDVTHWADRMLOF-OAHLLOKOSA-N 0 0 410.289 2.934 50 0 HFAARN CCOC(=O)c1cccc(NC(=O)c2cc3c(ccn(CCOC)c3=O)nc2C)c1 ZINC000021916958 558972337 /nfs/dbraw/zinc/97/23/37/558972337.db2.gz TZQBKGMVYHBNSE-UHFFFAOYSA-N 0 0 409.442 2.780 50 0 HFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000065362747 558973675 /nfs/dbraw/zinc/97/36/75/558973675.db2.gz GWDOQPSOATWOCS-MRXNPFEDSA-N 0 0 424.892 2.935 50 0 HFAARN COc1ccccc1CNC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1 ZINC000021940944 558978777 /nfs/dbraw/zinc/97/87/77/558978777.db2.gz SKIICYRFBGURHY-UHFFFAOYSA-N 0 0 419.485 2.649 50 0 HFAARN CCN1CCN(C(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)CC1 ZINC000021945125 558978789 /nfs/dbraw/zinc/97/87/89/558978789.db2.gz WOEMHZJKFCPXNM-UHFFFAOYSA-N 0 0 403.914 2.771 50 0 HFAARN CCCCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000021942320 558979422 /nfs/dbraw/zinc/97/94/22/558979422.db2.gz JJWDTBVZZHOMNO-IBGZPJMESA-N 0 0 412.534 2.544 50 0 HFAARN Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)nn2)n1 ZINC000072437272 558980556 /nfs/dbraw/zinc/98/05/56/558980556.db2.gz NDVTVGQTAJOXMF-UHFFFAOYSA-N 0 0 400.845 2.726 50 0 HFAARN Cc1cccc([C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)c1 ZINC000072442047 558981961 /nfs/dbraw/zinc/98/19/61/558981961.db2.gz CHPVSHKIHVAWGP-LEWJYISDSA-N 0 0 415.559 2.719 50 0 HFAARN CCOc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1 ZINC000072442533 558982194 /nfs/dbraw/zinc/98/21/94/558982194.db2.gz PLBWJBHHIFNLJL-UHFFFAOYSA-N 0 0 420.517 2.949 50 0 HFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3ccccc3C)c(C)s2)no1 ZINC000033263978 558982944 /nfs/dbraw/zinc/98/29/44/558982944.db2.gz TWTCEDMIJIZPGV-UHFFFAOYSA-N 0 0 420.516 2.894 50 0 HFAARN COc1ccc(C2=N/C(=C/c3ccc(N4CCOCC4)s3)C(=O)O2)cc1OC ZINC000096634987 558982971 /nfs/dbraw/zinc/98/29/71/558982971.db2.gz DSVVQNLCKVOPGQ-NTCAYCPXSA-N 0 0 400.456 2.946 50 0 HFAARN CC1=NO[C@@H](C(=O)Nc2nn(CC(F)(F)F)c3cccc(N4CCOCC4)c32)C1 ZINC000072469239 558983311 /nfs/dbraw/zinc/98/33/11/558983311.db2.gz FHBUHBOWLVLVPW-CQSZACIVSA-N 0 0 411.384 2.539 50 0 HFAARN COCCN(C)C(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 ZINC000072475104 558983691 /nfs/dbraw/zinc/98/36/91/558983691.db2.gz WJIWGEREEPHZOH-UHFFFAOYSA-N 0 0 412.465 2.987 50 0 HFAARN CC(C)=CCn1c(=O)c2nc(C(=O)NCCCO)cn2cc1-c1ccccc1Cl ZINC000072475420 558983765 /nfs/dbraw/zinc/98/37/65/558983765.db2.gz WYOWOUDBOOISGI-UHFFFAOYSA-N 0 0 414.893 2.895 50 0 HFAARN O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022037181 558985558 /nfs/dbraw/zinc/98/55/58/558985558.db2.gz MWVZBFVGSJDJHC-GOSISDBHSA-N 0 0 404.894 2.626 50 0 HFAARN COc1ccc2ccc(OCc3nc(C(=O)N4CC[C@H](NC(C)=O)C4)co3)cc2c1 ZINC000067604064 558988379 /nfs/dbraw/zinc/98/83/79/558988379.db2.gz ICJXRBNPZOHMAZ-KRWDZBQOSA-N 0 0 409.442 2.766 50 0 HFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc(C)n2)n1 ZINC000067630169 558990437 /nfs/dbraw/zinc/99/04/37/558990437.db2.gz MHLNXGSQZLCFQI-UHFFFAOYSA-N 0 0 412.444 2.828 50 0 HFAARN CC(C)c1nnc(-c2cccnc2N2CCN(S(=O)(=O)c3cccs3)CC2)o1 ZINC000097096606 558992143 /nfs/dbraw/zinc/99/21/43/558992143.db2.gz NIPKAKJVZUTTLV-UHFFFAOYSA-N 0 0 419.532 2.827 50 0 HFAARN C[C@H](C(=O)NC1CCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000096833030 558993500 /nfs/dbraw/zinc/99/35/00/558993500.db2.gz OQFAJESUAYKIOZ-MRXNPFEDSA-N 0 0 406.958 2.734 50 0 HFAARN CCN1C[C@H](NC(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CC1=O ZINC000067834300 558993520 /nfs/dbraw/zinc/99/35/20/558993520.db2.gz UOYRKUVJWLOSQM-MRXNPFEDSA-N 0 0 409.442 2.766 50 0 HFAARN CN(C(=O)C(=O)NCc1ccc(F)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000097102745 558993596 /nfs/dbraw/zinc/99/35/96/558993596.db2.gz URTBLXDEPWQQIV-DLBZAZTESA-N 0 0 411.260 2.865 50 0 HFAARN CN(C(=O)C(=O)NCc1ccc(F)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000097102746 558993599 /nfs/dbraw/zinc/99/35/99/558993599.db2.gz URTBLXDEPWQQIV-IRXDYDNUSA-N 0 0 411.260 2.865 50 0 HFAARN COc1ccccc1OCCNC(=O)c1ccc2c(c1)N(C)[C@H]1CCCCN1C2=O ZINC000097124667 558995793 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CCCn1c(=O)[nH]nc1SCc1cc(=O)oc2cc(NC(=O)OCC)ccc12 ZINC000049585910 568452881 /nfs/dbraw/zinc/45/28/81/568452881.db2.gz SOSXGTFYKFGWGQ-UHFFFAOYSA-N 0 0 404.448 2.949 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)n2C(C)C)n1 ZINC000012231518 568453313 /nfs/dbraw/zinc/45/33/13/568453313.db2.gz RWXBKQXFELJVND-UHFFFAOYSA-N 0 0 420.517 2.945 50 0 HFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@H](c2ccco2)N(C)C)CC1=O ZINC000049944261 568453582 /nfs/dbraw/zinc/45/35/82/568453582.db2.gz OHQKDLHGYKQQOH-CZUORRHYSA-N 0 0 405.882 2.714 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCc2ccccc2)n1 ZINC000012231824 568453836 /nfs/dbraw/zinc/45/38/36/568453836.db2.gz CRTLJUYSQFKVDN-UHFFFAOYSA-N 0 0 420.517 2.598 50 0 HFAARN Cc1cccnc1NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 ZINC000012233221 568454478 /nfs/dbraw/zinc/45/44/78/568454478.db2.gz FFTCEDCYIBNYCK-OAHLLOKOSA-N 0 0 418.482 2.961 50 0 HFAARN CCOC(=O)CCCNC(=O)COC(=O)c1ccc(OCC(C)C)c(OCC)c1 ZINC000020890938 568460535 /nfs/dbraw/zinc/46/05/35/568460535.db2.gz VNYRKYCFTYVQTQ-UHFFFAOYSA-N 0 0 409.479 2.736 50 0 HFAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1 ZINC000021009783 568460991 /nfs/dbraw/zinc/46/09/91/568460991.db2.gz PAUHKXCMSMLQFI-UHFFFAOYSA-N 0 0 413.499 2.706 50 0 HFAARN C[C@H](c1nc(C2CC2)no1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000051562648 568461360 /nfs/dbraw/zinc/46/13/60/568461360.db2.gz CJNWRJMIIAUBRQ-SNVBAGLBSA-N 0 0 402.929 2.729 50 0 HFAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000024765215 568461759 /nfs/dbraw/zinc/46/17/59/568461759.db2.gz AHCNFSBBYOINLD-LBPRGKRZSA-N 0 0 418.906 2.973 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)CC2=O)cc1 ZINC000012296516 568462704 /nfs/dbraw/zinc/46/27/04/568462704.db2.gz VNDZZSFNGDGJPG-QGZVFWFLSA-N 0 0 410.470 2.650 50 0 biogenic HFAARN COc1ccc(OC)c(NC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000012296660 568462766 /nfs/dbraw/zinc/46/27/66/568462766.db2.gz YNLMNQCSOHWECF-UHFFFAOYSA-N 0 0 408.458 2.892 50 0 biogenic HFAARN COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCC[C@H]4CO)cc3)cc2c1 ZINC000012296680 568462809 /nfs/dbraw/zinc/46/28/09/568462809.db2.gz FKGOZWYPIDELJV-KRWDZBQOSA-N 0 0 409.438 2.831 50 0 biogenic HFAARN CC(=O)Nc1cccc(NC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000012296643 568462841 /nfs/dbraw/zinc/46/28/41/568462841.db2.gz CFWJIWALSZEXAE-UHFFFAOYSA-N 0 0 405.458 2.833 50 0 biogenic HFAARN COC(=O)c1ccc(OC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000006999701 568466661 /nfs/dbraw/zinc/46/66/61/568466661.db2.gz FFRWVBGHIKSEMC-ZSEKCTLFSA-N 0 0 402.447 2.515 50 0 HFAARN O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N[C@@H]1CCS(=O)(=O)C1 ZINC000012323588 568471484 /nfs/dbraw/zinc/47/14/84/568471484.db2.gz OXODGQGEFIXSDA-LLVKDONJSA-N 0 0 420.434 2.555 50 0 HFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccc(F)cc2)cc1 ZINC000000780804 568474792 /nfs/dbraw/zinc/47/47/92/568474792.db2.gz FHBJHOZBOYOSAP-IBGZPJMESA-N 0 0 420.506 2.620 50 0 HFAARN Cc1csc(NC(=O)CCC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)n1 ZINC000218157938 568475935 /nfs/dbraw/zinc/47/59/35/568475935.db2.gz OUSIKWOBXOKTQW-UHFFFAOYSA-N 0 0 422.532 2.739 50 0 HFAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000000785293 568476929 /nfs/dbraw/zinc/47/69/29/568476929.db2.gz KTXSJBNYVOWVIK-UHFFFAOYSA-N 0 0 410.879 2.824 50 0 HFAARN O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000000793002 568480440 /nfs/dbraw/zinc/48/04/40/568480440.db2.gz HMRQHLSUCRKQHP-UHFFFAOYSA-N 0 0 419.286 2.537 50 0 HFAARN COc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000007560852 568482675 /nfs/dbraw/zinc/48/26/75/568482675.db2.gz NEPUCKTWDIASML-UHFFFAOYSA-N 0 0 405.545 2.707 50 0 HFAARN COc1ccc(CCn2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1OC ZINC000000801312 568484792 /nfs/dbraw/zinc/48/47/92/568484792.db2.gz HJHHILNSDHXIDR-UHFFFAOYSA-N 0 0 419.481 2.966 50 0 HFAARN O=C(NCC(F)(F)F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000024925610 568487773 /nfs/dbraw/zinc/48/77/73/568487773.db2.gz PLEWVLPGMQQZKI-UHFFFAOYSA-N 0 0 400.422 2.919 50 0 HFAARN COc1ccc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000008059947 568490661 /nfs/dbraw/zinc/49/06/61/568490661.db2.gz RUIJAKXMRBPXGI-UHFFFAOYSA-N 0 0 401.488 2.985 50 0 HFAARN COCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604405503 568492657 /nfs/dbraw/zinc/49/26/57/568492657.db2.gz OZBZTAJUQUQTON-NRFANRHFSA-N 0 0 407.470 2.734 50 0 biogenic HFAARN CC(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)[nH]1 ZINC000604419080 568493124 /nfs/dbraw/zinc/49/31/24/568493124.db2.gz YGXRXIGLBRTZPW-LJQANCHMSA-N 0 0 416.441 2.682 50 0 HFAARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(Cl)cc3)cc2N)cc1 ZINC000000812575 568495110 /nfs/dbraw/zinc/49/51/10/568495110.db2.gz GKWGPYIEHFYUJA-UHFFFAOYSA-N 0 0 407.835 2.584 50 0 HFAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008325433 568497920 /nfs/dbraw/zinc/49/79/20/568497920.db2.gz MDJFAVOCFVPVQW-FQEVSTJZSA-N 0 0 417.531 2.898 50 0 HFAARN Cc1ccc(Cl)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000000821252 568498309 /nfs/dbraw/zinc/49/83/09/568498309.db2.gz HTEZYAPAQODVOB-UHFFFAOYSA-N 0 0 408.907 2.703 50 0 HFAARN CC(C)N(C)S(=O)(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000057992050 568498503 /nfs/dbraw/zinc/49/85/03/568498503.db2.gz NGBAFUWPXJVSHM-HNNXBMFYSA-N 0 0 407.458 2.544 50 0 HFAARN COc1ccccc1NC(=O)[C@@H](C)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000022784060 568499636 /nfs/dbraw/zinc/49/96/36/568499636.db2.gz UBUKWMZONJTVGZ-LJQANCHMSA-N 0 0 424.545 2.895 50 0 HFAARN Cn1cc(-c2nc(-c3cccnc3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255973 568512688 /nfs/dbraw/zinc/51/26/88/568512688.db2.gz JBEOXYMUCIFLKG-UHFFFAOYSA-N 0 0 407.405 2.626 50 0 HFAARN C[C@@H](NC(=O)CCN1C(=O)C[C@@](C)(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000223229875 568541711 /nfs/dbraw/zinc/54/17/11/568541711.db2.gz HEHJEGCOFXYSTK-CMJOXMDJSA-N 0 0 404.470 2.847 50 0 HFAARN Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020137356 568590166 /nfs/dbraw/zinc/59/01/66/568590166.db2.gz REWSHMZWJQQWRN-UHFFFAOYSA-N 0 0 414.509 2.988 50 0 HFAARN O=C(NC[C@](O)(c1ccoc1)c1ccco1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000390826584 568591188 /nfs/dbraw/zinc/59/11/88/568591188.db2.gz NNOYRFJYNDMRGL-SFHVURJKSA-N 0 0 424.331 2.762 50 0 HFAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cn(C[C@@H](O)c2cccs2)nn1 ZINC000390829494 568591966 /nfs/dbraw/zinc/59/19/66/568591966.db2.gz ZJRWMKAQEDCFAC-CQSZACIVSA-N 0 0 412.393 2.902 50 0 HFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000390830820 568592120 /nfs/dbraw/zinc/59/21/20/568592120.db2.gz NRUMQIAXQIOIAO-INIZCTEOSA-N 0 0 415.515 2.646 50 0 HFAARN COc1ccc(CC(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1OC ZINC000390831923 568592457 /nfs/dbraw/zinc/59/24/57/568592457.db2.gz VZZTZSNTHSKUKQ-GOSISDBHSA-N 0 0 409.529 2.696 50 0 HFAARN COc1cc2c(cc(C(=O)N[C@H](C)C(=O)Nc3ncc(C)s3)n2C)c(OC)c1 ZINC000094992914 568593431 /nfs/dbraw/zinc/59/34/31/568593431.db2.gz UIRXPAOLPYUDJU-LLVKDONJSA-N 0 0 402.476 2.717 50 0 HFAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccn2)N1CCCN1CCOCC1 ZINC000020308118 568598147 /nfs/dbraw/zinc/59/81/47/568598147.db2.gz OETQWCCGONCNCX-FQEVSTJZSA-N 0 0 423.444 2.595 50 0 HFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccco2)N1CCN1CCOCC1 ZINC000020308162 568598218 /nfs/dbraw/zinc/59/82/18/568598218.db2.gz BPCHWFYVGFDBIW-SFHVURJKSA-N 0 0 414.845 2.917 50 0 HFAARN COC(=O)C1=NO[C@@H](CSc2nnc(N3CCCCC3)n2-c2ccccc2)C1 ZINC000095369291 568602253 /nfs/dbraw/zinc/60/22/53/568602253.db2.gz BTLUSPKAGPBGAY-OAHLLOKOSA-N 0 0 401.492 2.668 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000095381661 568603574 /nfs/dbraw/zinc/60/35/74/568603574.db2.gz BRHFGJFCQPEXBH-FQEVSTJZSA-N 0 0 408.546 2.771 50 0 HFAARN CCc1sc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C ZINC000095392690 568604174 /nfs/dbraw/zinc/60/41/74/568604174.db2.gz VQUUNHLDHGKBMH-UHFFFAOYSA-N 0 0 407.561 2.807 50 0 HFAARN COC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)c[nH]3)[C@H](C)C2)cc1 ZINC000095393580 568604236 /nfs/dbraw/zinc/60/42/36/568604236.db2.gz BMQMXGMHCAIHOA-GFCCVEGCSA-N 0 0 406.280 2.915 50 0 HFAARN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cnc1Cl ZINC000095398135 568604602 /nfs/dbraw/zinc/60/46/02/568604602.db2.gz ZNYKGSYZAGEYMO-CQSZACIVSA-N 0 0 409.943 2.930 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC000020405017 568604691 /nfs/dbraw/zinc/60/46/91/568604691.db2.gz AFGNAHLMBLNHFW-UHFFFAOYSA-N 0 0 401.410 2.620 50 0 HFAARN Nc1nc(CN2CCC(C(=O)Nc3ccccc3O)CC2)nc(Nc2ccccc2)n1 ZINC000095401356 568605219 /nfs/dbraw/zinc/60/52/19/568605219.db2.gz VXAUWBYSYAZVGC-UHFFFAOYSA-N 0 0 419.489 2.754 50 0 HFAARN CCN1CCN(C(=O)[C@@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1 ZINC000020416897 568606379 /nfs/dbraw/zinc/60/63/79/568606379.db2.gz YFHAJWKJKDKBPW-GOSISDBHSA-N 0 0 407.518 2.529 50 0 HFAARN C[C@](O)(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(F)cc1 ZINC000095444139 568611388 /nfs/dbraw/zinc/61/13/88/568611388.db2.gz SGCIBEDDIPWLIG-CVDCTZTESA-N 0 0 410.445 2.784 50 0 HFAARN C[C@H]1CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CCN1CC(F)(F)F ZINC000095447618 568612491 /nfs/dbraw/zinc/61/24/91/568612491.db2.gz ILTHRVINCHYAOC-ZDUSSCGKSA-N 0 0 405.848 2.945 50 0 HFAARN COc1ccc(CCC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c(OC)c1OC ZINC000095454044 568616139 /nfs/dbraw/zinc/61/61/39/568616139.db2.gz BHEYBRQOOASVOJ-UHFFFAOYSA-N 0 0 410.511 2.970 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c2ccccc12 ZINC000095458985 568619186 /nfs/dbraw/zinc/61/91/86/568619186.db2.gz JJJCPXHXPZEIIF-GOSISDBHSA-N 0 0 415.515 2.961 50 0 HFAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000095463828 568622179 /nfs/dbraw/zinc/62/21/79/568622179.db2.gz BRWXZHPCMCIDBB-YLJYHZDGSA-N 0 0 416.543 2.847 50 0 HFAARN CS(=O)(=O)CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1Cc2ccccc2C1=O ZINC000020531470 568627195 /nfs/dbraw/zinc/62/71/95/568627195.db2.gz OULGTROOVLGTJB-QGZVFWFLSA-N 0 0 424.881 2.877 50 0 HFAARN O=C(NCCc1ccco1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095472599 568627904 /nfs/dbraw/zinc/62/79/04/568627904.db2.gz DJDSQXMGQSQUQW-LLVKDONJSA-N 0 0 417.263 2.630 50 0 HFAARN CC(C)Cn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O ZINC000095473572 568628831 /nfs/dbraw/zinc/62/88/31/568628831.db2.gz YGKNYIMMGLQCEX-HNNXBMFYSA-N 0 0 408.458 2.633 50 0 HFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000095474728 568629469 /nfs/dbraw/zinc/62/94/69/568629469.db2.gz XIMPZOAHXLCNMN-RTWAWAEBSA-N 0 0 421.497 2.898 50 0 HFAARN COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)[nH]2)cc1 ZINC000095476176 568630306 /nfs/dbraw/zinc/63/03/06/568630306.db2.gz ILSULGJLRXZEGQ-INIZCTEOSA-N 0 0 405.458 2.590 50 0 HFAARN COc1ccccc1-c1ccc(=O)n(CC(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000095476067 568630351 /nfs/dbraw/zinc/63/03/51/568630351.db2.gz OGMOEZALDAOBEB-UHFFFAOYSA-N 0 0 402.454 2.759 50 0 HFAARN COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCO[C@H](c3ccccc3)C2)n1 ZINC000095476589 568630411 /nfs/dbraw/zinc/63/04/11/568630411.db2.gz OGEMBLDEJFXNMG-NRFANRHFSA-N 0 0 405.454 2.519 50 0 HFAARN CC(C)Cc1nnc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)[nH]1 ZINC000095477846 568631215 /nfs/dbraw/zinc/63/12/15/568631215.db2.gz VDCHPZKDCWPCEH-UHFFFAOYSA-N 0 0 411.915 2.839 50 0 HFAARN C[C@H](C(=O)NCCc1nc(-c2ccccc2)cs1)n1nnc2ccccc2c1=O ZINC000095478100 568631433 /nfs/dbraw/zinc/63/14/33/568631433.db2.gz SUBPJOPJXNIQSN-CQSZACIVSA-N 0 0 405.483 2.835 50 0 HFAARN CN1C(=O)C[C@H](C(=O)N2CCC(c3nnc4ccccn43)CC2)[C@@H]1c1ccccc1 ZINC000095478275 568631700 /nfs/dbraw/zinc/63/17/00/568631700.db2.gz GRKXXPGSGIMSAB-RXVVDRJESA-N 0 0 403.486 2.655 50 0 HFAARN Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095479260 568632597 /nfs/dbraw/zinc/63/25/97/568632597.db2.gz OOLBBIVSEBAKLU-AWEZNQCLSA-N 0 0 419.894 2.847 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C2CCCCC2)CC3)cc1 ZINC000020605147 568636224 /nfs/dbraw/zinc/63/62/24/568636224.db2.gz GFMCQGNSNBTGAD-UHFFFAOYSA-N 0 0 422.547 2.615 50 0 HFAARN CN(C)c1nc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)ns1 ZINC000225423765 568636987 /nfs/dbraw/zinc/63/69/87/568636987.db2.gz VALANDMAKIRCFB-UHFFFAOYSA-N 0 0 402.442 2.986 50 0 HFAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000020614555 568637693 /nfs/dbraw/zinc/63/76/93/568637693.db2.gz QASPWXCNGMNHQK-FQEVSTJZSA-N 0 0 411.477 2.944 50 0 HFAARN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000225446963 568638790 /nfs/dbraw/zinc/63/87/90/568638790.db2.gz XJGKFGBBUBQQJU-GREBRCKQSA-N 0 0 402.510 2.664 50 0 HFAARN CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2C ZINC000020677398 568639836 /nfs/dbraw/zinc/63/98/36/568639836.db2.gz OIWICBLPKGYICW-UHFFFAOYSA-N 0 0 409.490 2.719 50 0 HFAARN CC(C)C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)N1CCCCC1=O ZINC000225470416 568640867 /nfs/dbraw/zinc/64/08/67/568640867.db2.gz JCCRZVRPZVBITI-KSZLIROESA-N 0 0 407.555 2.739 50 0 HFAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCN1CCOCC1)oc1c3CCCC1 ZINC000020757484 568641824 /nfs/dbraw/zinc/64/18/24/568641824.db2.gz CMGXDILCCYWIDW-UHFFFAOYSA-N 0 0 424.497 2.717 50 0 biogenic HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cnc4ccccc4n3)C2)c(F)c1 ZINC000225505907 568644394 /nfs/dbraw/zinc/64/43/94/568644394.db2.gz ZXJKDMCYQBQVDP-LJQANCHMSA-N 0 0 400.435 2.888 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccc(SC)cc3)sc2n1 ZINC000020866068 568646649 /nfs/dbraw/zinc/64/66/49/568646649.db2.gz CQGBPIIOLSWAAU-UHFFFAOYSA-N 0 0 417.560 2.578 50 0 HFAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccco1 ZINC000020895810 568648835 /nfs/dbraw/zinc/64/88/35/568648835.db2.gz IMQPUDZXXCMYNE-QGZVFWFLSA-N 0 0 417.443 2.899 50 0 HFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccccc1F ZINC000020921047 568651013 /nfs/dbraw/zinc/65/10/13/568651013.db2.gz FOJNXDVRRZPSHE-INIZCTEOSA-N 0 0 423.462 2.694 50 0 HFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)Cc1ccccc1 ZINC000020920996 568651068 /nfs/dbraw/zinc/65/10/68/568651068.db2.gz GQJCYTMIAXPHNR-GOSISDBHSA-N 0 0 419.499 2.696 50 0 HFAARN CC[C@H](C(=O)N1CCOCC1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937633 568652410 /nfs/dbraw/zinc/65/24/10/568652410.db2.gz DBERJMOFUPJKEZ-LJQANCHMSA-N 0 0 419.547 2.626 50 0 HFAARN COC(=O)[C@H](CC(F)(F)F)NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000225609108 568656614 /nfs/dbraw/zinc/65/66/14/568656614.db2.gz IKQMBYQBGKQKLA-AWEZNQCLSA-N 0 0 415.364 2.653 50 0 HFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](CO)c2cccc(Cl)c2F)CC1=O ZINC000225610403 568656822 /nfs/dbraw/zinc/65/68/22/568656822.db2.gz HOQUGNUAMBFEBB-BBRMVZONSA-N 0 0 420.868 2.999 50 0 HFAARN CS(=O)(=O)c1cccnc1CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000225611132 568656841 /nfs/dbraw/zinc/65/68/41/568656841.db2.gz UCDANFWDRSSVFC-UHFFFAOYSA-N 0 0 405.863 2.652 50 0 HFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021005196 568657648 /nfs/dbraw/zinc/65/76/48/568657648.db2.gz IWKZZTZGBGPJLC-NRFANRHFSA-N 0 0 411.571 2.883 50 0 HFAARN Cc1nn2c(nc(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2=O)s1 ZINC000021016716 568657738 /nfs/dbraw/zinc/65/77/38/568657738.db2.gz DPFBSYIKPWRBGE-UHFFFAOYSA-N 0 0 410.411 2.662 50 0 HFAARN CCOCCS(=O)(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000225656723 568660762 /nfs/dbraw/zinc/66/07/62/568660762.db2.gz CBBRJQPWQNHXIS-LLVKDONJSA-N 0 0 402.314 2.856 50 0 HFAARN Cc1nc2cc(N(CC(=O)NCC(=O)N3CCCC3)Cc3cccc(O)c3)ccc2o1 ZINC000225671056 568662498 /nfs/dbraw/zinc/66/24/98/568662498.db2.gz CESVSNOZPBZEEW-UHFFFAOYSA-N 0 0 422.485 2.587 50 0 HFAARN CCC[C@H](NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)C)C(=O)OC(C)(C)C ZINC000095943407 568662658 /nfs/dbraw/zinc/66/26/58/568662658.db2.gz QCJLSHOYQXDKRP-PKOBYXMFSA-N 0 0 406.523 2.833 50 0 HFAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000021089965 568664069 /nfs/dbraw/zinc/66/40/69/568664069.db2.gz LEIDLYKPVGQNCW-HNNXBMFYSA-N 0 0 423.288 2.768 50 0 HFAARN O=C(CN1CCN(Cc2ccccc2Br)CC1)NCc1ccccc1 ZINC000095947123 568664716 /nfs/dbraw/zinc/66/47/16/568664716.db2.gz JNHQXLXASAIHDG-UHFFFAOYSA-N 0 0 402.336 2.883 50 0 HFAARN O=C(C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccccn1 ZINC000021109626 568667965 /nfs/dbraw/zinc/66/79/65/568667965.db2.gz MQWOLJBMKJVYJW-SSEXGKCCSA-N 0 0 419.510 2.623 50 0 HFAARN CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)N3CCC(c4ccncc4)CC3)cc21 ZINC000021114805 568668750 /nfs/dbraw/zinc/66/87/50/568668750.db2.gz DOPKZAJMGRLDRX-OAHLLOKOSA-N 0 0 415.515 2.784 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000095956092 568669232 /nfs/dbraw/zinc/66/92/32/568669232.db2.gz WLNCJZXQWZPXJE-XLIONFOSSA-N 0 0 400.567 2.554 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000095956090 568669398 /nfs/dbraw/zinc/66/93/98/568669398.db2.gz WLNCJZXQWZPXJE-PXNSSMCTSA-N 0 0 400.567 2.554 50 0 HFAARN CCc1c(C(=O)OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)nnn1CC ZINC000095962723 568670239 /nfs/dbraw/zinc/67/02/39/568670239.db2.gz RYXQNFIBYJMJFK-UHFFFAOYSA-N 0 0 420.516 2.744 50 0 HFAARN CN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000095966276 568670772 /nfs/dbraw/zinc/67/07/72/568670772.db2.gz RQNXDVZIFIHIPO-UHFFFAOYSA-N 0 0 424.316 2.962 50 0 HFAARN CCS(=O)(=O)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000096280943 568671468 /nfs/dbraw/zinc/67/14/68/568671468.db2.gz LEGVNJWGWHAMLJ-UHFFFAOYSA-N 0 0 402.520 2.967 50 0 HFAARN CCN(CCCNC(=O)Nc1cc(F)c(Br)cc1F)S(C)(=O)=O ZINC000095973462 568672179 /nfs/dbraw/zinc/67/21/79/568672179.db2.gz FDYPMQNLPCNXQL-UHFFFAOYSA-N 0 0 414.272 2.520 50 0 HFAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c(C)n1C ZINC000021154365 568673135 /nfs/dbraw/zinc/67/31/35/568673135.db2.gz CNOQAEWEHCOPDP-UHFFFAOYSA-N 0 0 411.911 2.569 50 0 HFAARN O=C(CC1CCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)C1 ZINC000021178105 568677552 /nfs/dbraw/zinc/67/75/52/568677552.db2.gz GGFQRTVAGGSIAT-SFHVURJKSA-N 0 0 420.517 2.849 50 0 HFAARN CC(C)Oc1ccccc1C(=O)NCC(O)CNC(=O)c1ccccc1OC(C)C ZINC000095993363 568678077 /nfs/dbraw/zinc/67/80/77/568678077.db2.gz FBNNOAFUMAKVGP-UHFFFAOYSA-N 0 0 414.502 2.782 50 0 HFAARN CC(C)[C@@H](C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000095995511 568678365 /nfs/dbraw/zinc/67/83/65/568678365.db2.gz SWLOFRKQOCEFLW-LFDJNIOPSA-N 0 0 411.587 2.882 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000096000149 568680768 /nfs/dbraw/zinc/68/07/68/568680768.db2.gz OLFUDGOCDIOBKB-CYBMUJFWSA-N 0 0 402.886 2.675 50 0 HFAARN Cn1c(=O)n(Cc2nc(Cl)ccc2Cl)c(=O)c2ccc(C(F)(F)F)nc21 ZINC000096010410 568683695 /nfs/dbraw/zinc/68/36/95/568683695.db2.gz RGRMLGOLEOAEPK-UHFFFAOYSA-N 0 0 405.163 2.864 50 0 HFAARN O=C(CCCNC(=O)c1ccc(F)cc1F)N1CCN(Cc2ccccc2)CC1 ZINC000021298842 568687314 /nfs/dbraw/zinc/68/73/14/568687314.db2.gz BXYOFYURFLPQQV-UHFFFAOYSA-N 0 0 401.457 2.819 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)Nc2nccs2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350432 568687773 /nfs/dbraw/zinc/68/77/73/568687773.db2.gz DUNJRDJDXQQKKF-KRWDZBQOSA-N 0 0 424.486 2.620 50 0 HFAARN O=C(CCC(=O)c1ccccc1)NCCn1nc(-c2cccs2)n(C2CC2)c1=O ZINC000096096612 568689183 /nfs/dbraw/zinc/68/91/83/568689183.db2.gz SBBDPJZERUZEJH-UHFFFAOYSA-N 0 0 410.499 2.888 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)c1 ZINC000096096681 568689407 /nfs/dbraw/zinc/68/94/07/568689407.db2.gz ALLQEMOPAQWSHX-UHFFFAOYSA-N 0 0 418.544 2.704 50 0 HFAARN O=S(=O)(NCCn1ccc(-c2ccccn2)n1)c1ccc(Br)s1 ZINC000096098930 568690129 /nfs/dbraw/zinc/69/01/29/568690129.db2.gz VPNBJPHLDRSGNV-UHFFFAOYSA-N 0 0 413.322 2.748 50 0 HFAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)NCc1cccnc1 ZINC000021365372 568690556 /nfs/dbraw/zinc/69/05/56/568690556.db2.gz BFJYHLIHXFWJEW-UHFFFAOYSA-N 0 0 422.876 2.568 50 0 HFAARN COc1ccc(OC)c(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)c1 ZINC000096114479 568694263 /nfs/dbraw/zinc/69/42/63/568694263.db2.gz CPVVBIYFRBYSJI-UHFFFAOYSA-N 0 0 412.442 2.715 50 0 biogenic HFAARN CC(C)Oc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC(=O)N(C(C)C)C1=O ZINC000012390286 568694606 /nfs/dbraw/zinc/69/46/06/568694606.db2.gz CLWKZTBMCKYNEN-UHFFFAOYSA-N 0 0 423.535 2.825 50 0 HFAARN COc1ccc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)c(OC)c1 ZINC000096116207 568695927 /nfs/dbraw/zinc/69/59/27/568695927.db2.gz BUHBQGUGECIDTK-UHFFFAOYSA-N 0 0 412.442 2.715 50 0 biogenic HFAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)[C@H]1CCCO1 ZINC000012391680 568696040 /nfs/dbraw/zinc/69/60/40/568696040.db2.gz GJZSBIGLZIYRKV-QGZVFWFLSA-N 0 0 406.504 2.702 50 0 HFAARN CS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000033298992 568696744 /nfs/dbraw/zinc/69/67/44/568696744.db2.gz RJUDOWHQKYETFN-UHFFFAOYSA-N 0 0 404.441 2.779 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1C ZINC000096121138 568699566 /nfs/dbraw/zinc/69/95/66/568699566.db2.gz GNWXUBBPSUFGRY-WJDWOHSUSA-N 0 0 413.543 2.860 50 0 HFAARN O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Nc1ccccc1Cl ZINC000096121145 568699571 /nfs/dbraw/zinc/69/95/71/568699571.db2.gz PXBKLIXSVRDVCM-GDNBJRDFSA-N 0 0 419.934 2.897 50 0 HFAARN O=S(=O)(CCOc1ccccc1)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121692 568699809 /nfs/dbraw/zinc/69/98/09/568699809.db2.gz WWDJTOIWBFNPDZ-UHFFFAOYSA-N 0 0 412.515 2.821 50 0 HFAARN Cc1nc2ncnn2c(C)c1CCC(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000021476611 568703303 /nfs/dbraw/zinc/70/33/03/568703303.db2.gz NVPAGLCPLAGIMT-UHFFFAOYSA-N 0 0 402.838 2.937 50 0 HFAARN COCCCNC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccc(OC)cc1OC ZINC000096211846 568704748 /nfs/dbraw/zinc/70/47/48/568704748.db2.gz VQFQTHXGCWQCFE-WOJBJXKFSA-N 0 0 418.534 2.589 50 0 HFAARN C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NCCCc2nc3ccccc3[nH]2)C1=O ZINC000096224120 568706633 /nfs/dbraw/zinc/70/66/33/568706633.db2.gz UQWFGDRFVZJABY-DEOSSOPVSA-N 0 0 418.497 2.719 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCNC(=O)c1cnccn1 ZINC000096231533 568707271 /nfs/dbraw/zinc/70/72/71/568707271.db2.gz NHIWKLUCPCEQQR-GOSISDBHSA-N 0 0 407.474 2.670 50 0 HFAARN COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530527 568710595 /nfs/dbraw/zinc/71/05/95/568710595.db2.gz ZLIDNIOGBKCYRA-HXUWFJFHSA-N 0 0 423.513 2.565 50 0 HFAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000021531421 568710994 /nfs/dbraw/zinc/71/09/94/568710994.db2.gz JTHKWZXESWYIFC-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN CCOc1ccccc1NC(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O ZINC000021531387 568711088 /nfs/dbraw/zinc/71/10/88/568711088.db2.gz IGYSPNBEBMJRQJ-UHFFFAOYSA-N 0 0 417.531 2.785 50 0 HFAARN Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000024996453 568711954 /nfs/dbraw/zinc/71/19/54/568711954.db2.gz YEFPWORNVJRQCY-SWLSCSKDSA-N 0 0 417.307 2.729 50 0 HFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000021537288 568712254 /nfs/dbraw/zinc/71/22/54/568712254.db2.gz YEPUITXVKBNYJL-ZDUSSCGKSA-N 0 0 413.503 2.586 50 0 HFAARN C[C@H]1CCCCN1C(=O)CSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21 ZINC000021537244 568712291 /nfs/dbraw/zinc/71/22/91/568712291.db2.gz JABWCKLKGIPFCV-LBPRGKRZSA-N 0 0 401.467 2.717 50 0 HFAARN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21 ZINC000021537242 568712318 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403.504 2.532 50 0 HFAARN COc1ccccc1CNC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000003555246 568915219 /nfs/dbraw/zinc/91/52/19/568915219.db2.gz FDTXFSGPCUDXEJ-UHFFFAOYSA-N 0 0 405.450 2.791 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3Cl)CC2)cc1C ZINC000003557558 568915506 /nfs/dbraw/zinc/91/55/06/568915506.db2.gz CFOCGPBBYARFBT-UHFFFAOYSA-N 0 0 422.934 2.869 50 0 HFAARN CCCCCCn1nc(C(=O)OCC(=O)NCC(F)(F)F)c2ccccc2c1=O ZINC000003563214 568916059 /nfs/dbraw/zinc/91/60/59/568916059.db2.gz PYXJPCSPFIPGRI-UHFFFAOYSA-N 0 0 413.396 2.812 50 0 HFAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000012695397 568916064 /nfs/dbraw/zinc/91/60/64/568916064.db2.gz NPDNVGPZMJNYFF-CQSZACIVSA-N 0 0 411.458 2.602 50 0 HFAARN C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000012699261 568917046 /nfs/dbraw/zinc/91/70/46/568917046.db2.gz HPUDPSFXQQQASM-GASCZTMLSA-N 0 0 411.458 2.715 50 0 HFAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000031173922 568917127 /nfs/dbraw/zinc/91/71/27/568917127.db2.gz YSJPMACSVZEPCF-INIZCTEOSA-N 0 0 415.440 2.801 50 0 HFAARN CN(CC(=O)N1CCN(Cc2cccs2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000012700280 568917358 /nfs/dbraw/zinc/91/73/58/568917358.db2.gz IQLXXEDGMGQUMO-UHFFFAOYSA-N 0 0 423.586 2.769 50 0 HFAARN COc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000015463878 568917864 /nfs/dbraw/zinc/91/78/64/568917864.db2.gz VVSDULNLOYTACC-UHFFFAOYSA-N 0 0 417.314 2.939 50 0 HFAARN C[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000003593160 568918113 /nfs/dbraw/zinc/91/81/13/568918113.db2.gz OILXJFATXILLIK-KPZWWZAWSA-N 0 0 408.296 2.617 50 0 HFAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccco1 ZINC000045900633 568918327 /nfs/dbraw/zinc/91/83/27/568918327.db2.gz ASRBJILPVIDORC-UHFFFAOYSA-N 0 0 413.499 2.950 50 0 HFAARN CC[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000004163857 568918388 /nfs/dbraw/zinc/91/83/88/568918388.db2.gz WKVQAYWVRBDMIL-ODIFPOPNSA-N 0 0 409.552 2.644 50 0 HFAARN Cn1nc(C(=O)OCCOc2ccc(Br)cc2)c2ccccc2c1=O ZINC000003597522 568918649 /nfs/dbraw/zinc/91/86/49/568918649.db2.gz GCVNIXZMZFLSLD-UHFFFAOYSA-N 0 0 403.232 2.932 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1OC ZINC000004165820 568918946 /nfs/dbraw/zinc/91/89/46/568918946.db2.gz BCVIBISMRUNODM-UHFFFAOYSA-N 0 0 419.441 2.547 50 0 HFAARN COC(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003609602 568919647 /nfs/dbraw/zinc/91/96/47/568919647.db2.gz XJIHJMDWORCGIQ-UHFFFAOYSA-N 0 0 410.879 2.694 50 0 HFAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O ZINC000003610685 568919933 /nfs/dbraw/zinc/91/99/33/568919933.db2.gz TXEABFJLOOCMBH-XMMPIXPASA-N 0 0 401.466 2.966 50 0 HFAARN COc1ccc(Cc2nnc(NC(=O)N(C)[C@@H]3CCC[C@@H]3S(C)(=O)=O)s2)cc1 ZINC000083855561 568920730 /nfs/dbraw/zinc/92/07/30/568920730.db2.gz ZHAAQHDYZFMQEL-CABCVRRESA-N 0 0 424.548 2.567 50 0 HFAARN COCCn1nc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)ccc1=O ZINC000031266015 568921228 /nfs/dbraw/zinc/92/12/28/568921228.db2.gz BLORSLGZJFVRGK-UHFFFAOYSA-N 0 0 407.430 2.786 50 0 HFAARN Cc1occc1-c1nnc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000012733359 568923826 /nfs/dbraw/zinc/92/38/26/568923826.db2.gz RFMDPDJDAHKTGQ-UHFFFAOYSA-N 0 0 422.532 2.805 50 0 HFAARN CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 ZINC000012739983 568926867 /nfs/dbraw/zinc/92/68/67/568926867.db2.gz MXUVGAINBDMBBV-INIZCTEOSA-N 0 0 403.548 2.866 50 0 HFAARN CSc1ccccc1NC(=O)CN(C)C(=O)[C@H](NC(=O)c1ccco1)C(C)C ZINC000031547763 568927843 /nfs/dbraw/zinc/92/78/43/568927843.db2.gz CGRASYUACLECNP-GOSISDBHSA-N 0 0 403.504 2.853 50 0 HFAARN COc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000004189388 568929132 /nfs/dbraw/zinc/92/91/32/568929132.db2.gz BMSQHRQVGYUNDV-HXUWFJFHSA-N 0 0 420.473 2.534 50 0 HFAARN COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3OC)CC2)cc1 ZINC000012741785 568929652 /nfs/dbraw/zinc/92/96/52/568929652.db2.gz CXPGXQXOAHRYSZ-UHFFFAOYSA-N 0 0 410.470 2.555 50 0 HFAARN Cc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C ZINC000031752094 568930344 /nfs/dbraw/zinc/93/03/44/568930344.db2.gz MXGIJVMPQZCNPQ-UHFFFAOYSA-N 0 0 406.529 2.694 50 0 HFAARN CCn1c(SCCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CC1 ZINC000031756289 568930491 /nfs/dbraw/zinc/93/04/91/568930491.db2.gz OOFVSOUXXCVGRK-UHFFFAOYSA-N 0 0 417.491 2.777 50 0 HFAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4nnc(C)s4)cc3C2=O)cc1 ZINC000031810087 568932490 /nfs/dbraw/zinc/93/24/90/568932490.db2.gz KNVWGDJYCSQGGC-UHFFFAOYSA-N 0 0 422.466 2.946 50 0 HFAARN CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O ZINC000004003775 568932791 /nfs/dbraw/zinc/93/27/91/568932791.db2.gz YRSQJPGULPLBJK-UHFFFAOYSA-N 0 0 419.522 2.916 50 0 HFAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)c1 ZINC000031820951 568933181 /nfs/dbraw/zinc/93/31/81/568933181.db2.gz UQWCQLSNRJHLFZ-UHFFFAOYSA-N 0 0 416.437 2.728 50 0 HFAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4ccncc4)ccc3c2=O)c1 ZINC000031820044 568933229 /nfs/dbraw/zinc/93/32/29/568933229.db2.gz KMOYIOXOGOQKQS-UHFFFAOYSA-N 0 0 416.437 2.728 50 0 HFAARN CCCNC(=O)Cn1cnc2sc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)c2c1=O ZINC000004730223 568933243 /nfs/dbraw/zinc/93/32/43/568933243.db2.gz ZVNYKGZHBQXOJQ-VNHYZAJKSA-N 0 0 418.563 2.847 50 0 HFAARN CCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CC)C4=O)c(=O)n3n2)cc1 ZINC000016729670 568937094 /nfs/dbraw/zinc/93/70/94/568937094.db2.gz CMTDEJRTNPVOQZ-ZCXUNETKSA-N 0 0 418.478 2.501 50 0 HFAARN O=C(N[C@H]1CCSC1=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O ZINC000001422938 568938380 /nfs/dbraw/zinc/93/83/80/568938380.db2.gz CTLKQHBUZNPNSZ-HNNXBMFYSA-N 0 0 416.886 2.772 50 0 HFAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000001424667 568938843 /nfs/dbraw/zinc/93/88/43/568938843.db2.gz MBBXYEPIGVZHCE-KRWDZBQOSA-N 0 0 416.455 2.575 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000004086218 568940311 /nfs/dbraw/zinc/94/03/11/568940311.db2.gz CHNVSSCDEGMGJM-PRPYNDMISA-N 0 0 401.466 2.933 50 0 biogenic HFAARN O=C(NC[C@H]1CCCO1)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000004086220 568940380 /nfs/dbraw/zinc/94/03/80/568940380.db2.gz CHNVSSCDEGMGJM-VQUVXCFPSA-N 0 0 401.466 2.933 50 0 biogenic HFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1 ZINC000015498478 568940394 /nfs/dbraw/zinc/94/03/94/568940394.db2.gz ZJIHWVLOKPEJQZ-GASCZTMLSA-N 0 0 415.515 2.704 50 0 HFAARN COC(=O)c1ccccc1NC(=O)Cn1nc(C)c(I)c1C ZINC000001432176 568941155 /nfs/dbraw/zinc/94/11/55/568941155.db2.gz ZHJPAELOGYSPAZ-UHFFFAOYSA-N 0 0 413.215 2.530 50 0 HFAARN COCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000004089138 568941426 /nfs/dbraw/zinc/94/14/26/568941426.db2.gz NOPYZPPSFQUCFI-UHFFFAOYSA-N 0 0 401.459 2.527 50 0 biogenic HFAARN COc1c2c(cc3c1[C@H](C[C@@](C)(NC=O)C(=O)CC1CCCC1)N(C)CC3)OCO2 ZINC000004090638 568942208 /nfs/dbraw/zinc/94/22/08/568942208.db2.gz FPAPHBQBVPMACY-GAJHUEQPSA-N 0 0 416.518 2.997 50 0 biogenic HFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012754471 568942510 /nfs/dbraw/zinc/94/25/10/568942510.db2.gz VEJMYLJZTHFYBJ-GOSISDBHSA-N 0 0 416.499 2.685 50 0 HFAARN CC(C)N=c1ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000254908827 568942584 /nfs/dbraw/zinc/94/25/84/568942584.db2.gz VDARSDCIIHTURJ-UHFFFAOYSA-N 0 0 405.495 2.677 50 0 HFAARN C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012757606 568943197 /nfs/dbraw/zinc/94/31/97/568943197.db2.gz SGQUANQIQUTPBJ-JKSUJKDBSA-N 0 0 408.495 2.957 50 0 HFAARN COCCn1c(SCC(=O)Nc2ccccc2OC)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108087 568943819 /nfs/dbraw/zinc/94/38/19/568943819.db2.gz LPUANAWVGRWRLG-LBPRGKRZSA-N 0 0 421.544 2.666 50 0 HFAARN CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)C1=O ZINC000012760533 568945157 /nfs/dbraw/zinc/94/51/57/568945157.db2.gz FJXILVLMXCFKNP-LJQANCHMSA-N 0 0 402.476 2.786 50 0 HFAARN Cn1c(=O)c2c(SCC(=O)c3ccc(Cl)cc3)nc(C3CC3)nc2n(C)c1=O ZINC000004139100 568946009 /nfs/dbraw/zinc/94/60/09/568946009.db2.gz BFRRSRCOSYIXED-UHFFFAOYSA-N 0 0 416.890 2.533 50 0 HFAARN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)n1C1CC1 ZINC000012762673 568946432 /nfs/dbraw/zinc/94/64/32/568946432.db2.gz REACAZXSQRAEJO-OAQYLSRUSA-N 0 0 409.486 2.564 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012763904 568947088 /nfs/dbraw/zinc/94/70/88/568947088.db2.gz FJPHPAWFJAQUNA-UHFFFAOYSA-N 0 0 418.302 2.745 50 0 HFAARN CC1(C)Cc2c(sc3nc(SCC(N)=O)n(-c4ccccc4)c(=O)c23)CO1 ZINC000004154648 568947144 /nfs/dbraw/zinc/94/71/44/568947144.db2.gz VFAYTBLCKAZFPL-UHFFFAOYSA-N 0 0 401.513 2.876 50 0 HFAARN CC(=O)Nc1ccc(OC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000015544510 568948070 /nfs/dbraw/zinc/94/80/70/568948070.db2.gz FVBMCWZZAVGZBV-UHFFFAOYSA-N 0 0 414.439 2.936 50 0 HFAARN Cc1cc(F)ccc1S(=O)(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000012766181 568948372 /nfs/dbraw/zinc/94/83/72/568948372.db2.gz NGCXRBZYTDTFRV-CQSZACIVSA-N 0 0 403.522 2.574 50 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O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)OCC(=O)c1ccccc1 ZINC000006595202 569068953 /nfs/dbraw/zinc/06/89/53/569068953.db2.gz NFHGMXHLHOKPBJ-UHFFFAOYSA-N 0 0 407.513 2.891 50 0 HFAARN O=C(NCCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000035966847 569069222 /nfs/dbraw/zinc/06/92/22/569069222.db2.gz ZUIWSHRJWJXDJO-JLLPCOHGSA-N 0 0 417.553 2.854 50 0 HFAARN O=C(CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NC1CCCCC1 ZINC000064592955 569069414 /nfs/dbraw/zinc/06/94/14/569069414.db2.gz PYYCBIGMRWILOI-UHFFFAOYSA-N 0 0 401.467 2.560 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(CCc2ccccc2)C1=O)C3 ZINC000100792683 569069855 /nfs/dbraw/zinc/06/98/55/569069855.db2.gz QQWVMJIMADSACO-QFIPXVFZSA-N 0 0 403.482 2.905 50 0 biogenic HFAARN Cc1nn(C)cc1C(=O)OCC(COC(=O)c1cn(C)nc1C)c1cccc(F)c1 ZINC000089544317 569070058 /nfs/dbraw/zinc/07/00/58/569070058.db2.gz KLDFVYXTAXCHPS-UHFFFAOYSA-N 0 0 414.437 2.707 50 0 HFAARN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)cc1 ZINC000030903923 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O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C(=O)N(C3CCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000006624466 569075585 /nfs/dbraw/zinc/07/55/85/569075585.db2.gz JMQHDPGEFRNBMV-CIEVZJJWSA-N 0 0 405.498 2.551 50 0 HFAARN Cc1ccccc1OCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000006627434 569076063 /nfs/dbraw/zinc/07/60/63/569076063.db2.gz PHDIBAUWUDRJLP-UHFFFAOYSA-N 0 0 419.499 2.560 50 0 HFAARN COCCCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)c1cccs1 ZINC000036014375 569076374 /nfs/dbraw/zinc/07/63/74/569076374.db2.gz PBJZPAGUTHLRAE-UHFFFAOYSA-N 0 0 406.504 2.852 50 0 HFAARN CC(C)CCN(C(=O)c1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000006646731 569079271 /nfs/dbraw/zinc/07/92/71/569079271.db2.gz WOXWTFKBXCFDCF-UHFFFAOYSA-N 0 0 424.476 2.999 50 0 HFAARN CCCN1C(=O)[C@@H](C)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027197 569079848 /nfs/dbraw/zinc/07/98/48/569079848.db2.gz BFAUMYHBKAUNEL-GFCCVEGCSA-N 0 0 420.362 2.705 50 0 HFAARN COCCCNC(=O)[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1cc(OC)ccc1OC ZINC000036045425 569082053 /nfs/dbraw/zinc/08/20/53/569082053.db2.gz LGYPOGXVOMTISE-RBUKOAKNSA-N 0 0 420.550 2.835 50 0 HFAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1cccs1 ZINC000006651357 569082337 /nfs/dbraw/zinc/08/23/37/569082337.db2.gz UJXYJVLYRJYXLQ-KRWDZBQOSA-N 0 0 406.529 2.746 50 0 HFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000006654130 569082724 /nfs/dbraw/zinc/08/27/24/569082724.db2.gz GJJJMPXGKRQFGB-XMMPIXPASA-N 0 0 421.497 2.523 50 0 HFAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000006657811 569083355 /nfs/dbraw/zinc/08/33/55/569083355.db2.gz NWLKWGANSIVSJF-INIZCTEOSA-N 0 0 421.453 2.516 50 0 HFAARN COc1cccc([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)NCC(C)C)c1OC ZINC000036054175 569083968 /nfs/dbraw/zinc/08/39/68/569083968.db2.gz ALHUXJAZRMTOLL-SJORKVTESA-N 0 0 400.475 2.925 50 0 HFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 ZINC000036054733 569084387 /nfs/dbraw/zinc/08/43/87/569084387.db2.gz XIOJFKKHRJCEBG-UXHICEINSA-N 0 0 402.441 2.973 50 0 HFAARN Cc1ccc(CNC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)cc1 ZINC000064710203 569084768 /nfs/dbraw/zinc/08/47/68/569084768.db2.gz NNUDTQAWZQDBPX-UHFFFAOYSA-N 0 0 419.510 2.975 50 0 HFAARN CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(O)cc2)NC(=O)N3C)cc1 ZINC000006668390 569086338 /nfs/dbraw/zinc/08/63/38/569086338.db2.gz RXFHATVALCQDFV-LJQANCHMSA-N 0 0 407.426 2.566 50 0 HFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 ZINC000006674771 569087401 /nfs/dbraw/zinc/08/74/01/569087401.db2.gz WQJHKBRAAVCCMC-UHFFFAOYSA-N 0 0 417.535 2.546 50 0 HFAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(F)cc2)c1=O)NC1CCCCC1 ZINC000006679306 569087455 /nfs/dbraw/zinc/08/74/55/569087455.db2.gz YCISERJZLQJBIT-UHFFFAOYSA-N 0 0 415.490 2.861 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000036084215 569087516 /nfs/dbraw/zinc/08/75/16/569087516.db2.gz ZGWUEMOPLYFRCJ-CYBMUJFWSA-N 0 0 418.471 2.866 50 0 HFAARN CCCNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087403 569088043 /nfs/dbraw/zinc/08/80/43/569088043.db2.gz JQUVHBBQINTZER-UHFFFAOYSA-N 0 0 412.877 2.544 50 0 HFAARN Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1 ZINC000036086781 569088201 /nfs/dbraw/zinc/08/82/01/569088201.db2.gz BDFITHJNYDZBPU-UHFFFAOYSA-N 0 0 424.888 2.640 50 0 HFAARN CC(C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036087812 569088598 /nfs/dbraw/zinc/08/85/98/569088598.db2.gz ZUJRBCRNLWRUFD-UHFFFAOYSA-N 0 0 424.476 2.843 50 0 HFAARN CC1CCN(c2ccc(-c3noc(C(=O)N4CCN(C(=O)C5CC5)CC4)n3)cc2)CC1 ZINC000064746652 569088621 /nfs/dbraw/zinc/08/86/21/569088621.db2.gz ZEVHUOLLHQSZHX-UHFFFAOYSA-N 0 0 423.517 2.667 50 0 HFAARN CCc1cccc(NC(=O)Cn2cnc3cc(C(=O)NCC4CC4)ccc3c2=O)c1 ZINC000064755132 569089564 /nfs/dbraw/zinc/08/95/64/569089564.db2.gz QOHPIIUCGLTEEO-UHFFFAOYSA-N 0 0 404.470 2.737 50 0 HFAARN CCNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2cccc(C)c2C)c1=O ZINC000064759397 569090731 /nfs/dbraw/zinc/09/07/31/569090731.db2.gz RBGYMQWISYQUPO-UHFFFAOYSA-N 0 0 404.470 2.916 50 0 HFAARN COc1ccc(OC)c(CNC(=O)Cn2ncc3c2ncnc3N2CCCCCC2)c1 ZINC000064761559 569091343 /nfs/dbraw/zinc/09/13/43/569091343.db2.gz JIXTZFJDRXEKJG-UHFFFAOYSA-N 0 0 424.505 2.540 50 0 HFAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)cc1OS(C)(=O)=O ZINC000006695911 569091771 /nfs/dbraw/zinc/09/17/71/569091771.db2.gz CIRIBZCGXLSGFA-MRXNPFEDSA-N 0 0 413.536 2.977 50 0 HFAARN C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCc3ccc(Cl)cc3)s2)C1 ZINC000064775803 569093701 /nfs/dbraw/zinc/09/37/01/569093701.db2.gz UAZVWPAFLJTHDA-LBPRGKRZSA-N 0 0 417.922 2.971 50 0 HFAARN CCNC(=O)N(CCN1CCOCC1)Cc1csc(COc2cccc(C)c2)n1 ZINC000036115136 569094181 /nfs/dbraw/zinc/09/41/81/569094181.db2.gz JIOGAJYXAIHTTA-UHFFFAOYSA-N 0 0 418.563 2.894 50 0 HFAARN CCOc1ccc(NC(=O)CNc2cc(C)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791101 569094879 /nfs/dbraw/zinc/09/48/79/569094879.db2.gz UXCVONWEPRGOLT-UHFFFAOYSA-N 0 0 403.446 2.944 50 0 HFAARN O=C(CN1c2nnnn2[C@H](c2ccccc2)C=C1c1ccccc1)NCc1cccnc1 ZINC000064792609 569095924 /nfs/dbraw/zinc/09/59/24/569095924.db2.gz XJDGXJFFNSDRJH-QFIPXVFZSA-N 0 0 423.480 2.835 50 0 HFAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCc2ccccc2)c1=O)CCCC3 ZINC000006719692 569097897 /nfs/dbraw/zinc/09/78/97/569097897.db2.gz JQYOUZQOEGTFKV-UHFFFAOYSA-N 0 0 412.511 2.909 50 0 HFAARN CCOc1ccccc1NC(=O)Cc1c(C)n(C)c2nc(-c3ccccc3)nn2c1=O ZINC000064813448 569099877 /nfs/dbraw/zinc/09/98/77/569099877.db2.gz YTUMDCRISMSFBJ-UHFFFAOYSA-N 0 0 417.469 2.983 50 0 HFAARN CCc1nc2cc3c(cc2n1CC(=O)NCc1ccc(OC)c(OC)c1)OCCO3 ZINC000064814340 569100396 /nfs/dbraw/zinc/10/03/96/569100396.db2.gz QQQVAYVCBPAQSP-UHFFFAOYSA-N 0 0 411.458 2.704 50 0 HFAARN CC[C@@H](C)NC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccco1 ZINC000064817507 569100944 /nfs/dbraw/zinc/10/09/44/569100944.db2.gz OAIBPFQKDMITLP-GFCCVEGCSA-N 0 0 403.508 2.569 50 0 HFAARN COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)ccc21 ZINC000064818716 569101459 /nfs/dbraw/zinc/10/14/59/569101459.db2.gz ZYLQIURGPYNHOI-UHFFFAOYSA-N 0 0 410.835 2.530 50 0 HFAARN 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402.539 2.880 50 0 HFAARN CCC(=O)N1CCCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000170608676 569245193 /nfs/dbraw/zinc/24/51/93/569245193.db2.gz OEWVYWDZPIXKFU-UHFFFAOYSA-N 0 0 410.356 2.730 50 0 HFAARN CN(CCN1CCCC1=O)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000170608371 569245220 /nfs/dbraw/zinc/24/52/20/569245220.db2.gz DLALJJVNZQYAIZ-UHFFFAOYSA-N 0 0 415.534 2.717 50 0 HFAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCOCC3)CC2)cc1 ZINC000037276986 569245902 /nfs/dbraw/zinc/24/59/02/569245902.db2.gz VKGJQJHIIYKLRK-UHFFFAOYSA-N 0 0 407.514 2.866 50 0 HFAARN Cc1ccc(C(=O)N2CCC([C@@H](NC(=O)C3CC3)C(=O)N3CCCCC3)CC2)cc1 ZINC000037276287 569245912 /nfs/dbraw/zinc/24/59/12/569245912.db2.gz VZIUSWCCQQCZEX-OAQYLSRUSA-N 0 0 411.546 2.755 50 0 HFAARN COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CN2CCOCC2)c(OC)c1 ZINC000170618233 569247849 /nfs/dbraw/zinc/24/78/49/569247849.db2.gz SALSDLUPGSQPOB-IBGZPJMESA-N 0 0 415.515 2.775 50 0 HFAARN C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C(N)=O ZINC000007551875 569249103 /nfs/dbraw/zinc/24/91/03/569249103.db2.gz DMOITOXNGUDUTE-ONGXEEELSA-N 0 0 408.863 2.622 50 0 HFAARN Cc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 ZINC000009882191 569251334 /nfs/dbraw/zinc/25/13/34/569251334.db2.gz UMGFNKVXLKNAKI-UHFFFAOYSA-N 0 0 422.407 2.939 50 0 HFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009884002 569251632 /nfs/dbraw/zinc/25/16/32/569251632.db2.gz DWGIZZLTSNHAPF-UHFFFAOYSA-N 0 0 414.393 2.730 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[nH]n2C(C)C ZINC000071288756 569252459 /nfs/dbraw/zinc/25/24/59/569252459.db2.gz GXTGGXSAKABBKO-XJKSGUPXSA-N 0 0 423.564 2.816 50 0 HFAARN COc1ccc(-c2nnc3ccc(OCCNC(=O)CC(C)(C)C)nn32)cc1OC ZINC000013527437 569255801 /nfs/dbraw/zinc/25/58/01/569255801.db2.gz OPDNVOMDMASSHF-UHFFFAOYSA-N 0 0 413.478 2.740 50 0 HFAARN Cc1ccccc1CC(=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000013706017 569257404 /nfs/dbraw/zinc/25/74/04/569257404.db2.gz YUXIIKSRIBBIDS-UHFFFAOYSA-N 0 0 405.433 2.977 50 0 HFAARN CS(=O)(=O)N1CCCC[C@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000013793581 569257723 /nfs/dbraw/zinc/25/77/23/569257723.db2.gz KSJMNNMTZDWUBV-HOCLYGCPSA-N 0 0 423.560 2.622 50 0 HFAARN CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(C(=O)OC)cc3)cn2)cc1 ZINC000013809193 569257914 /nfs/dbraw/zinc/25/79/14/569257914.db2.gz OHXAWJIPQHTLIX-UHFFFAOYSA-N 0 0 407.426 2.734 50 0 HFAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1)N1CCOCC1 ZINC000013848934 569258073 /nfs/dbraw/zinc/25/80/73/569258073.db2.gz MFVDNYBGFLJDPG-UHFFFAOYSA-N 0 0 414.527 2.768 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000014098507 569258565 /nfs/dbraw/zinc/25/85/65/569258565.db2.gz UOQPPUNTNBROCW-UHFFFAOYSA-N 0 0 422.572 2.727 50 0 HFAARN C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000014318911 569259439 /nfs/dbraw/zinc/25/94/39/569259439.db2.gz PYDRKTPKCAYCQG-PBHICJAKSA-N 0 0 400.500 2.859 50 0 HFAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)c1 ZINC000014498824 569260112 /nfs/dbraw/zinc/26/01/12/569260112.db2.gz DWECSEKFPHOXOT-KRWDZBQOSA-N 0 0 418.519 2.502 50 0 HFAARN COc1ccc(NC(=O)c2nnc(CN3CCC[C@H]3c3nnc(C)o3)s2)cc1 ZINC000089736299 569263137 /nfs/dbraw/zinc/26/31/37/569263137.db2.gz RIKDBAKPUSEMBA-AWEZNQCLSA-N 0 0 400.464 2.828 50 0 HFAARN COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cccc(F)c3)nn2)cc1 ZINC000016838950 569264227 /nfs/dbraw/zinc/26/42/27/569264227.db2.gz IUUMKKVFPMLIQD-UHFFFAOYSA-N 0 0 403.435 2.649 50 0 HFAARN O=c1c2nccnc2n(Cc2ccc(F)cc2Cl)c(=O)n1Cc1ccc(F)cc1 ZINC000016842659 569264759 /nfs/dbraw/zinc/26/47/59/569264759.db2.gz UTTRWZFBWMCGIO-UHFFFAOYSA-N 0 0 414.799 2.981 50 0 HFAARN O=c1c2nccnc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccc(F)cc1 ZINC000016842657 569264773 /nfs/dbraw/zinc/26/47/73/569264773.db2.gz WRBCHVYLHSXEPY-UHFFFAOYSA-N 0 0 414.799 2.981 50 0 HFAARN O=c1cc(CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)nc2ccccn12 ZINC000016843977 569264952 /nfs/dbraw/zinc/26/49/52/569264952.db2.gz HASYVEKZUXUAPH-UHFFFAOYSA-N 0 0 420.429 2.524 50 0 HFAARN NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1 ZINC000016850210 569265790 /nfs/dbraw/zinc/26/57/90/569265790.db2.gz DUGBYHWYIOECCG-UHFFFAOYSA-N 0 0 420.491 2.532 50 0 HFAARN CCN(CC)c1ccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 ZINC000016850899 569265943 /nfs/dbraw/zinc/26/59/43/569265943.db2.gz NTUBINASKPLLIZ-QGZVFWFLSA-N 0 0 416.547 2.830 50 0 HFAARN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000089802167 569266246 /nfs/dbraw/zinc/26/62/46/569266246.db2.gz OGCOKQSFDWAYCK-NRFANRHFSA-N 0 0 422.529 2.856 50 0 HFAARN CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 ZINC000089821076 569266495 /nfs/dbraw/zinc/26/64/95/569266495.db2.gz PGCZXGBFUBOPFR-LBPRGKRZSA-N 0 0 414.850 2.713 50 0 HFAARN CC(C)c1noc(CCNC(=O)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)n1 ZINC000089893405 569267839 /nfs/dbraw/zinc/26/78/39/569267839.db2.gz XAEJGCLMXGFAPX-UHFFFAOYSA-N 0 0 424.505 2.859 50 0 HFAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000089904947 569268181 /nfs/dbraw/zinc/26/81/81/569268181.db2.gz CUNXXLKYQZLUCJ-MWTRTKDXSA-N 0 0 417.469 2.517 50 0 HFAARN COc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CS(=O)(=O)C3)cc1 ZINC000016954948 569268522 /nfs/dbraw/zinc/26/85/22/569268522.db2.gz FAHGJOOSLCUZGG-GHXNOFRVSA-N 0 0 409.467 2.961 50 0 HFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1OC ZINC000016960022 569269051 /nfs/dbraw/zinc/26/90/51/569269051.db2.gz UBMGQMQSLPVJET-UHFFFAOYSA-N 0 0 415.471 2.518 50 0 HFAARN COc1ccccc1C1(CNC(=O)C(=O)NCCC2=CCCCC2)CCOCC1 ZINC000016975636 569269974 /nfs/dbraw/zinc/26/99/74/569269974.db2.gz ZZIDZYOTSMSALJ-UHFFFAOYSA-N 0 0 400.519 2.866 50 0 HFAARN CCCn1nnnc1CN(CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC000089960672 569270155 /nfs/dbraw/zinc/27/01/55/569270155.db2.gz LVXVGRVDESSHCH-CYBMUJFWSA-N 0 0 410.316 2.972 50 0 HFAARN Cc1ccc2c(c1)NC(SCC(=O)N1CCOc3ccc(C)cc31)=NS2(=O)=O ZINC000017043382 569272235 /nfs/dbraw/zinc/27/22/35/569272235.db2.gz KYSLVCQZZVVQDW-UHFFFAOYSA-N 0 0 417.512 2.932 50 0 HFAARN O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(F)cc1 ZINC000017156610 569275961 /nfs/dbraw/zinc/27/59/61/569275961.db2.gz MPAWISYDHACALN-UHFFFAOYSA-N 0 0 407.854 2.681 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002091882 569280467 /nfs/dbraw/zinc/28/04/67/569280467.db2.gz GZCZCIVJJKVYFL-OAHLLOKOSA-N 0 0 415.467 2.991 50 0 HFAARN COCCN1CC(=O)N2[C@H](c3cccc(C)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002098480 569281146 /nfs/dbraw/zinc/28/11/46/569281146.db2.gz LSCLDHJUDXSUFI-NZQKXSOJSA-N 0 0 403.482 2.808 50 0 biogenic HFAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)CC(=O)N12 ZINC000002102009 569281496 /nfs/dbraw/zinc/28/14/96/569281496.db2.gz MUODXDWXMZYTEY-ACJLOTCBSA-N 0 0 403.438 2.753 50 0 biogenic HFAARN O=C(COc1ccccc1)N1CCC(C(=O)N2CCOC3(CCCCC3)C2)CC1 ZINC000170641031 569283343 /nfs/dbraw/zinc/28/33/43/569283343.db2.gz ZSNVVOODFRUYJG-UHFFFAOYSA-N 0 0 400.519 2.866 50 0 HFAARN Cn1nc2nc(N3CCc4ccccc4C3)nc(-c3ccc4c(c3)OCO4)c2c1N ZINC000037359909 569283420 /nfs/dbraw/zinc/28/34/20/569283420.db2.gz MDJPPVYMQMTAPU-UHFFFAOYSA-N 0 0 400.442 2.904 50 0 HFAARN COCCN(C(=O)CSc1nnnn1-c1ccccc1OC)C1=CCCCC1 ZINC000007591808 569283764 /nfs/dbraw/zinc/28/37/64/569283764.db2.gz RVSAGYWUGVTVKT-UHFFFAOYSA-N 0 0 403.508 2.696 50 0 HFAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000014853095 569285025 /nfs/dbraw/zinc/28/50/25/569285025.db2.gz HCQBJSZHCJUWCE-UHFFFAOYSA-N 0 0 417.535 2.622 50 0 HFAARN CCN1C[C@H](CN(C)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)Oc2ccccc21 ZINC000252444138 569285955 /nfs/dbraw/zinc/28/59/55/569285955.db2.gz AYHQAPLXCHAOCK-JLHGSKIFSA-N 0 0 400.523 2.664 50 0 HFAARN COc1cc2c(cc1OC)-c1cc(OCc3ccc4c(c3)OCO4)nc(=O)n1CC2 ZINC000002127253 569286374 /nfs/dbraw/zinc/28/63/74/569286374.db2.gz DWZWTALGDSXSNA-UHFFFAOYSA-N 0 0 408.410 2.791 50 0 biogenic HFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007597736 569287816 /nfs/dbraw/zinc/28/78/16/569287816.db2.gz AEVKFGFZSAFGDX-QGZVFWFLSA-N 0 0 402.472 2.906 50 0 HFAARN CN(C)CCN(C(=O)Cc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000007599668 569288225 /nfs/dbraw/zinc/28/82/25/569288225.db2.gz KBSBUMAZOMERHG-UHFFFAOYSA-N 0 0 417.556 2.837 50 0 HFAARN CC(C)C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000252482117 569289074 /nfs/dbraw/zinc/28/90/74/569289074.db2.gz CYRWQBFEQRVRQI-GOSISDBHSA-N 0 0 404.474 2.582 50 0 HFAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)C1(O)CCCCC1 ZINC000252485768 569289171 /nfs/dbraw/zinc/28/91/71/569289171.db2.gz HDMFXHLDONLGAJ-KRWDZBQOSA-N 0 0 400.441 2.646 50 0 HFAARN CN(C)C(=O)[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000252486912 569289360 /nfs/dbraw/zinc/28/93/60/569289360.db2.gz OAVXFJLFGPXSRB-QRVBRYPASA-N 0 0 403.429 2.924 50 0 HFAARN CC(C)Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCNC(=O)c1cnccn1 ZINC000252507807 569291285 /nfs/dbraw/zinc/29/12/85/569291285.db2.gz WUEIVRMAGGZMOI-HXUWFJFHSA-N 0 0 420.517 2.966 50 0 HFAARN O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1cccc2ccccc21 ZINC000252507676 569291364 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CC(=O)c1cccc(NC(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000032087736 518427637 /nfs/dbraw/zinc/42/76/37/518427637.db2.gz ZPEKZCJVKTZHTI-INIZCTEOSA-N 0 0 411.433 2.526 50 0 HFAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000041879421 518806625 /nfs/dbraw/zinc/80/66/25/518806625.db2.gz BITUKFJYUNBEHX-AWEZNQCLSA-N 0 0 412.490 2.928 50 0 HFAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@H](c2ccncc2)C1 ZINC000225720001 518808767 /nfs/dbraw/zinc/80/87/67/518808767.db2.gz JKVFALUPIGHNNN-OALUTQOASA-N 0 0 419.522 2.788 50 0 HFAARN CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000390832665 518971445 /nfs/dbraw/zinc/97/14/45/518971445.db2.gz DYQJXDRCRMWMKS-NORZTCDRSA-N 0 0 417.333 2.621 50 0 HFAARN CC(=O)N(c1nnc(SCC(=O)Nc2cccc3nsnc32)s1)C1CC1 ZINC000019079285 519478676 /nfs/dbraw/zinc/47/86/76/519478676.db2.gz MDWLKUVWXZMURM-UHFFFAOYSA-N 0 0 406.518 2.789 50 0 HFAARN CC(C)CCNC(=O)CSc1nc(-c2cccc(Cl)c2)nc2cc(=O)[nH]n21 ZINC000021911301 519656265 /nfs/dbraw/zinc/65/62/65/519656265.db2.gz ARSVRMPBUMOGFV-UHFFFAOYSA-N 0 0 405.911 2.992 50 0 HFAARN CC(C)CNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000032933256 519737294 /nfs/dbraw/zinc/73/72/94/519737294.db2.gz BZXUNIKBOHNEHE-CQSZACIVSA-N 0 0 418.519 2.538 50 0 HFAARN CC(=O)Nc1cccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c1 ZINC000072334015 519738197 /nfs/dbraw/zinc/73/81/97/519738197.db2.gz VZAYVQROBHSYOC-UHFFFAOYSA-N 0 0 405.248 2.881 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)c1 ZINC000032091515 519741597 /nfs/dbraw/zinc/74/15/97/519741597.db2.gz WDQZDQDACSUPOG-UHFFFAOYSA-N 0 0 408.458 2.847 50 0 HFAARN CC(C)COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000032916476 519753029 /nfs/dbraw/zinc/75/30/29/519753029.db2.gz NATLMAVQWFJSTG-UHFFFAOYSA-N 0 0 414.543 2.546 50 0 HFAARN CCCOc1c(Cl)cc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC ZINC000032966985 520294214 /nfs/dbraw/zinc/29/42/14/520294214.db2.gz XODQQFQNIGDFNB-MRXNPFEDSA-N 0 0 410.898 2.601 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3cnccn3)cc2)C1 ZINC000044553284 520524379 /nfs/dbraw/zinc/52/43/79/520524379.db2.gz VPHFIXZHEFSWDI-HNNXBMFYSA-N 0 0 404.492 2.659 50 0 HFAARN CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)c1 ZINC000032695439 520540143 /nfs/dbraw/zinc/54/01/43/520540143.db2.gz ILLGYTDKQPPWBL-IBGZPJMESA-N 0 0 419.547 2.880 50 0 HFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cn1)C(=O)CS2 ZINC000045960762 520558143 /nfs/dbraw/zinc/55/81/43/520558143.db2.gz NLOATLOUWRCOMQ-UHFFFAOYSA-N 0 0 412.515 2.949 50 0 HFAARN CCOc1cc2c(cc1CNC(=O)CCn1ncc(=O)c3ccccc31)O[C@@H](C)C2 ZINC000032820314 520789713 /nfs/dbraw/zinc/78/97/13/520789713.db2.gz WNTSZVWBSCSPRK-HNNXBMFYSA-N 0 0 407.470 2.825 50 0 HFAARN CCOc1cc2c(cc1CNC(=O)CCN1C(=O)c3ccccc3C1=O)O[C@@H](C)C2 ZINC000032741025 520790279 /nfs/dbraw/zinc/79/02/79/520790279.db2.gz MNSDUFRVPSHMCG-AWEZNQCLSA-N 0 0 408.454 2.711 50 0 HFAARN CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(Cc3ccco3)CC2)C(C)C)cc1 ZINC000024096726 520915073 /nfs/dbraw/zinc/91/50/73/520915073.db2.gz RQJFJYLZJIUZPB-NRFANRHFSA-N 0 0 413.518 2.777 50 0 HFAARN CC1CCC(N(C)C(=O)CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000032489504 520930254 /nfs/dbraw/zinc/93/02/54/520930254.db2.gz RBKVDLHOBKDJEZ-UHFFFAOYSA-N 0 0 401.551 2.613 50 0 HFAARN CCOc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn32)cc1 ZINC000045938952 521067806 /nfs/dbraw/zinc/06/78/06/521067806.db2.gz XQBVAPNPSJRGNK-UHFFFAOYSA-N 0 0 411.443 2.807 50 0 HFAARN CCOc1ccc(NC(=O)c2snnc2CC)cc1S(=O)(=O)N1CCCC1 ZINC000032740789 521124045 /nfs/dbraw/zinc/12/40/45/521124045.db2.gz GQFPYXXWPQTSCG-UHFFFAOYSA-N 0 0 410.521 2.536 50 0 HFAARN CCCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCC[C@H]1O ZINC000072437023 521414699 /nfs/dbraw/zinc/41/46/99/521414699.db2.gz SENDCFQKZWPBNH-DLBZAZTESA-N 0 0 414.593 2.691 50 0 HFAARN CCOc1ccccc1-c1nc(CC(=O)Nc2cc(C(=O)OC)c[nH]c2=O)cs1 ZINC000032933495 521439552 /nfs/dbraw/zinc/43/95/52/521439552.db2.gz MMKWGYQUWMJJCU-UHFFFAOYSA-N 0 0 413.455 2.865 50 0 HFAARN CCCn1c2ccccc2n(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1=O ZINC000032873852 521638806 /nfs/dbraw/zinc/63/88/06/521638806.db2.gz FMBJKZWYBWWADO-UHFFFAOYSA-N 0 0 416.522 2.682 50 0 HFAARN CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc4nsnc4c3)o2)cc1 ZINC000042381276 521687744 /nfs/dbraw/zinc/68/77/44/521687744.db2.gz ATGVVRKCMYLSHV-UHFFFAOYSA-N 0 0 415.456 2.787 50 0 HFAARN CCCN1C(=O)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000020595049 521701602 /nfs/dbraw/zinc/70/16/02/521701602.db2.gz XEIWJTLSELUJFO-IBGZPJMESA-N 0 0 412.408 2.736 50 0 HFAARN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000040312535 521703136 /nfs/dbraw/zinc/70/31/36/521703136.db2.gz PVGZIUSQDCNNLD-HSZRJFAPSA-N 0 0 420.469 2.973 50 0 biogenic HFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCc3ccccc3)CC2)c1C ZINC000045973917 521749246 /nfs/dbraw/zinc/74/92/46/521749246.db2.gz XMCNVBMLDZOBHM-UHFFFAOYSA-N 0 0 411.502 2.977 50 0 HFAARN CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000044388948 521809194 /nfs/dbraw/zinc/80/91/94/521809194.db2.gz MZVROAFRZMCXSR-JTSKRJEESA-N 0 0 418.559 2.736 50 0 HFAARN COc1cc(C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc(OC)c1OC ZINC000022765684 522117009 /nfs/dbraw/zinc/11/70/09/522117009.db2.gz DAMWMBQGYQIODY-INIZCTEOSA-N 0 0 406.504 2.577 50 0 HFAARN CN(C)c1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)cc1 ZINC000023310142 522145500 /nfs/dbraw/zinc/14/55/00/522145500.db2.gz XSFVOHMNYJNOLZ-UHFFFAOYSA-N 0 0 419.485 2.955 50 0 HFAARN COC(=O)c1cnc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)s1 ZINC000031893639 522337684 /nfs/dbraw/zinc/33/76/84/522337684.db2.gz WWXCFIYHMDDHRO-UHFFFAOYSA-N 0 0 408.237 2.525 50 0 HFAARN COc1cc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc(OC)c1OC ZINC000032796240 522636154 /nfs/dbraw/zinc/63/61/54/522636154.db2.gz SIJBFVVDSQVNMQ-HNNXBMFYSA-N 0 0 412.442 2.907 50 0 HFAARN COc1cc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc(OC)c1OC ZINC000001071902 522669746 /nfs/dbraw/zinc/66/97/46/522669746.db2.gz VFRPPAGTDQFUGO-UHFFFAOYSA-N 0 0 402.432 2.888 50 0 HFAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC2)c(OC)c1 ZINC000032906423 522790983 /nfs/dbraw/zinc/79/09/83/522790983.db2.gz KKINYVMAAVSIBL-CQSZACIVSA-N 0 0 404.507 2.879 50 0 HFAARN COc1cc(OC)c(N2C[C@H](C(=O)Nc3c(C)nn(C)c3C)CC2=O)cc1Cl ZINC000032675856 522796535 /nfs/dbraw/zinc/79/65/35/522796535.db2.gz CJSMYHRRAVQVNU-GFCCVEGCSA-N 0 0 406.870 2.699 50 0 HFAARN COC(=O)C(C)(C)NC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000032816753 522800139 /nfs/dbraw/zinc/80/01/39/522800139.db2.gz CXAAUENMNQBHRR-UHFFFAOYSA-N 0 0 413.499 2.891 50 0 HFAARN COC(=O)C1=C(C)N(c2ccc(S(C)(=O)=O)cc2)C(=O)N[C@@H]1c1ccccc1 ZINC000032584150 522868012 /nfs/dbraw/zinc/86/80/12/522868012.db2.gz HPGLDZOQIOSCEP-GOSISDBHSA-N 0 0 400.456 2.808 50 0 HFAARN CC[C@@H](O)CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 ZINC000072411279 523007038 /nfs/dbraw/zinc/00/70/38/523007038.db2.gz JRDZPXSHBOMTLY-QGZVFWFLSA-N 0 0 412.465 2.769 50 0 HFAARN COc1cc2ncn(CCC(=O)N[C@H](C)CCc3ccccc3)c(=O)c2cc1OC ZINC000032123939 523069618 /nfs/dbraw/zinc/06/96/18/523069618.db2.gz OPIMDDMHXBAJMF-MRXNPFEDSA-N 0 0 409.486 2.941 50 0 biogenic HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)OCCCO4)n2)cc1OC ZINC000040267731 523128984 /nfs/dbraw/zinc/12/89/84/523128984.db2.gz LXBADDZNGPZTBE-UHFFFAOYSA-N 0 0 422.437 2.972 50 0 HFAARN COC(=O)CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC ZINC000032907893 523199223 /nfs/dbraw/zinc/19/92/23/523199223.db2.gz AHXCWGKVEIKIQJ-XMSQKQJNSA-N 0 0 410.470 2.777 50 0 HFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1noc(CC(C)C)n1 ZINC000045915821 523360233 /nfs/dbraw/zinc/36/02/33/523360233.db2.gz SLQLUSLJQIZIEU-INIZCTEOSA-N 0 0 403.479 2.948 50 0 HFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000044840969 523496566 /nfs/dbraw/zinc/49/65/66/523496566.db2.gz YKQSLAGANLJUKH-UHFFFAOYSA-N 0 0 409.486 2.962 50 0 HFAARN CCc1c(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000032612786 523686214 /nfs/dbraw/zinc/68/62/14/523686214.db2.gz OBLQZYVUGZCREZ-UHFFFAOYSA-N 0 0 417.513 2.831 50 0 HFAARN CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2cn(C)nc2C)c1C ZINC000020602574 523690896 /nfs/dbraw/zinc/69/08/96/523690896.db2.gz PUGKOFVAFGNWDD-UHFFFAOYSA-N 0 0 401.536 2.687 50 0 HFAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(-c2ccco2)n1 ZINC000032753461 523776182 /nfs/dbraw/zinc/77/61/82/523776182.db2.gz SUXMWKUXLZNUFG-UHFFFAOYSA-N 0 0 410.455 2.928 50 0 HFAARN CC[C@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000012210748 523821738 /nfs/dbraw/zinc/82/17/38/523821738.db2.gz GBFTYYBQUVQCRQ-KSSFIOAISA-N 0 0 415.511 2.792 50 0 HFAARN COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC(F)(F)F ZINC000031811431 523882181 /nfs/dbraw/zinc/88/21/81/523882181.db2.gz IPAVPKRJBGQTJI-ZUZCIYMTSA-N 0 0 412.368 2.527 50 0 HFAARN COCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000032759577 523889930 /nfs/dbraw/zinc/88/99/30/523889930.db2.gz GCLJBUPVSZHHIC-UHFFFAOYSA-N 0 0 402.516 2.517 50 0 HFAARN CN1CCN(CC(=O)N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccc(F)cc2)CC1 ZINC000019897370 523891953 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/nfs/dbraw/zinc/07/19/45/537071945.db2.gz DUCBHUXYPMPSCV-UHFFFAOYSA-N 0 0 406.534 2.749 50 0 HFAARN CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl ZINC000000629179 557024914 /nfs/dbraw/zinc/02/49/14/557024914.db2.gz XQDDBLYRQXQRPH-UHFFFAOYSA-N 0 0 409.877 2.761 50 0 HFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(I)cc1 ZINC000000637073 557030200 /nfs/dbraw/zinc/03/02/00/557030200.db2.gz LTCUULFHKSPHAJ-UHFFFAOYSA-N 0 0 420.206 2.916 50 0 HFAARN CCOc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000000637702 557030448 /nfs/dbraw/zinc/03/04/48/557030448.db2.gz SOWXZZAYZYZXPX-UHFFFAOYSA-N 0 0 405.458 2.624 50 0 biogenic HFAARN CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000000655195 557040384 /nfs/dbraw/zinc/04/03/84/557040384.db2.gz UIKCYSZDASASDN-UHFFFAOYSA-N 0 0 423.336 2.982 50 0 HFAARN CCN(CC)c1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 ZINC000000675931 557052568 /nfs/dbraw/zinc/05/25/68/557052568.db2.gz XZRGPHLJYADVAZ-UHFFFAOYSA-N 0 0 417.513 2.840 50 0 HFAARN COC(=O)C1=C(C)NC(=O)C[C@H]1c1cc(OC)c(OC)c(OC)c1Br ZINC000000720134 557069692 /nfs/dbraw/zinc/06/96/92/557069692.db2.gz ALTYBBRPPQNORC-VIFPVBQESA-N 0 0 414.252 2.525 50 0 HFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1I ZINC000000728211 557074133 /nfs/dbraw/zinc/07/41/33/557074133.db2.gz WARCGMRPZFWALK-ZDUSSCGKSA-N 0 0 400.216 2.824 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000792011 557081653 /nfs/dbraw/zinc/08/16/53/557081653.db2.gz TWZMMYWXZFCDPX-UHFFFAOYSA-N 0 0 420.462 2.636 50 0 HFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 ZINC000000791672 557081679 /nfs/dbraw/zinc/08/16/79/557081679.db2.gz SYNORVZKTPOYCB-GOSISDBHSA-N 0 0 402.516 2.721 50 0 HFAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000000816873 557091109 /nfs/dbraw/zinc/09/11/09/557091109.db2.gz WHBJWMKVMPCYMZ-ZDUSSCGKSA-N 0 0 408.476 2.506 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000000821184 557092356 /nfs/dbraw/zinc/09/23/56/557092356.db2.gz VWHKPDDTGBINFC-UHFFFAOYSA-N 0 0 420.487 2.667 50 0 HFAARN Cc1ccc(N(Cc2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000000840197 557097350 /nfs/dbraw/zinc/09/73/50/557097350.db2.gz PUNCWFDSIFLGPQ-UHFFFAOYSA-N 0 0 402.516 2.742 50 0 HFAARN COC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000000842606 557098024 /nfs/dbraw/zinc/09/80/24/557098024.db2.gz YTSWBHAAOASGBG-MRXNPFEDSA-N 0 0 416.430 2.616 50 0 HFAARN CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc3ccccc3c2)S1 ZINC000000859529 557103629 /nfs/dbraw/zinc/10/36/29/557103629.db2.gz VXYYQYLMYACMOO-IBGZPJMESA-N 0 0 419.528 2.722 50 0 HFAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000000881226 557109417 /nfs/dbraw/zinc/10/94/17/557109417.db2.gz XBPIGAILSLKDTM-UHFFFAOYSA-N 0 0 411.483 2.602 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1 ZINC000000882819 557110242 /nfs/dbraw/zinc/11/02/42/557110242.db2.gz MGPYMQGSFKXWAQ-UHFFFAOYSA-N 0 0 413.459 2.578 50 0 HFAARN COc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 ZINC000000885016 557111151 /nfs/dbraw/zinc/11/11/51/557111151.db2.gz DUJLHMWFPRHXIF-UHFFFAOYSA-N 0 0 411.483 2.602 50 0 HFAARN COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000000909935 557116341 /nfs/dbraw/zinc/11/63/41/557116341.db2.gz WEUKNOGVFXDRJE-LJQANCHMSA-N 0 0 413.430 2.685 50 0 HFAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000944718 557122498 /nfs/dbraw/zinc/12/24/98/557122498.db2.gz ZFMHRZGFAOKHNN-LYPXWFNGSA-N 0 0 408.454 2.547 50 0 HFAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000955091 557125805 /nfs/dbraw/zinc/12/58/05/557125805.db2.gz YYKFFLZETZRBRR-UHFFFAOYSA-N 0 0 413.293 2.731 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 ZINC000000972233 557127977 /nfs/dbraw/zinc/12/79/77/557127977.db2.gz NFHIPTOOUYNBKZ-UHFFFAOYSA-N 0 0 404.488 2.830 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000000980842 557130424 /nfs/dbraw/zinc/13/04/24/557130424.db2.gz OPENUFAYDASCCW-UHFFFAOYSA-N 0 0 404.488 2.743 50 0 HFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(Br)o1 ZINC000000997370 557138467 /nfs/dbraw/zinc/13/84/67/557138467.db2.gz GINJVTOLQNFJLE-VIFPVBQESA-N 0 0 408.046 2.996 50 0 HFAARN O=S(=O)(c1ccc(F)cc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000001032375 557147550 /nfs/dbraw/zinc/14/75/50/557147550.db2.gz SPSWRWFBMLIJPS-UHFFFAOYSA-N 0 0 404.389 2.536 50 0 HFAARN CCc1sc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000001054739 557161306 /nfs/dbraw/zinc/16/13/06/557161306.db2.gz HOLZKPQNGDBMMT-UHFFFAOYSA-N 0 0 403.323 2.650 50 0 HFAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn12 ZINC000001059231 557162993 /nfs/dbraw/zinc/16/29/93/557162993.db2.gz KBCOBBQXHZATHS-UHFFFAOYSA-N 0 0 423.498 2.582 50 0 HFAARN COc1cc(OC)c(C2=NO[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1Cl ZINC000001059914 557163405 /nfs/dbraw/zinc/16/34/05/557163405.db2.gz YISKFZSATOWGGN-IBGZPJMESA-N 0 0 418.833 2.895 50 0 HFAARN O=C(Nc1ccccn1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 ZINC000001116154 557187158 /nfs/dbraw/zinc/18/71/58/557187158.db2.gz PAWRFKGWAWOQHL-UHFFFAOYSA-N 0 0 410.293 2.881 50 0 HFAARN CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000001127892 557196419 /nfs/dbraw/zinc/19/64/19/557196419.db2.gz XJOYEIVBZVRFAU-KRWDZBQOSA-N 0 0 407.207 2.728 50 0 HFAARN O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000001129318 557197100 /nfs/dbraw/zinc/19/71/00/557197100.db2.gz RWEMKVDXDFQWGG-UHFFFAOYSA-N 0 0 401.513 2.988 50 0 HFAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)NCC3CCCCC3)cc2oc1=O ZINC000001131919 557198739 /nfs/dbraw/zinc/19/87/39/557198739.db2.gz VMHGRNBDNDYTOJ-UHFFFAOYSA-N 0 0 401.459 2.892 50 0 HFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(I)cc1 ZINC000001141675 557204636 /nfs/dbraw/zinc/20/46/36/557204636.db2.gz CNJBQVCXZLLAMI-GFCCVEGCSA-N 0 0 402.257 2.647 50 0 HFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000001142079 557205063 /nfs/dbraw/zinc/20/50/63/557205063.db2.gz YPQKRQQZTWUOFN-AWEZNQCLSA-N 0 0 421.494 2.759 50 0 HFAARN CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000001147922 557209108 /nfs/dbraw/zinc/20/91/08/557209108.db2.gz OJPZKNCPDWZNFY-UHFFFAOYSA-N 0 0 421.494 2.616 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1OC ZINC000001158442 557216306 /nfs/dbraw/zinc/21/63/06/557216306.db2.gz SNBSPHUMSHZHLI-UHFFFAOYSA-N 0 0 422.478 2.882 50 0 HFAARN COc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001169717 557223033 /nfs/dbraw/zinc/22/30/33/557223033.db2.gz AMFKELNZDHDBQP-UHFFFAOYSA-N 0 0 416.421 2.796 50 0 HFAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000001190425 557235898 /nfs/dbraw/zinc/23/58/98/557235898.db2.gz XRLZKDZVYAVWNB-GFCCVEGCSA-N 0 0 407.637 2.957 50 0 HFAARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(I)cc1 ZINC000001203734 557240204 /nfs/dbraw/zinc/24/02/04/557240204.db2.gz AUORIQZIEXRFKW-UHFFFAOYSA-N 0 0 423.189 2.723 50 0 HFAARN COc1ccc(OC)c(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)c1 ZINC000001218842 557247465 /nfs/dbraw/zinc/24/74/65/557247465.db2.gz SECYBHNBRIGROB-NSHDSACASA-N 0 0 400.715 2.823 50 0 HFAARN CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001422486 557260815 /nfs/dbraw/zinc/26/08/15/557260815.db2.gz OJZQMTWBXHWRFR-HXUWFJFHSA-N 0 0 420.425 2.636 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 ZINC000001426158 557261343 /nfs/dbraw/zinc/26/13/43/557261343.db2.gz VXUDGVMCEVJIOQ-LJQANCHMSA-N 0 0 401.488 2.745 50 0 HFAARN C[C@@H]1Cn2c(nnc2-c2cccc(NC(=O)c3nn(C)c(=O)c4ccccc43)c2)S1 ZINC000001431671 557262698 /nfs/dbraw/zinc/26/26/98/557262698.db2.gz SSOMIQPLJUPZQB-GFCCVEGCSA-N 0 0 418.482 2.939 50 0 HFAARN COc1ccc(C(=O)[C@H]2[C@H]3[C@@H]4CO[C@@H](O4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001445430 557265941 /nfs/dbraw/zinc/26/59/41/557265941.db2.gz ANYSXNGUTHIOFQ-UFWRTUIVSA-N 0 0 403.434 2.719 50 0 HFAARN CCc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1 ZINC000001461428 557268493 /nfs/dbraw/zinc/26/84/93/557268493.db2.gz BPQUMVKTJFZLEH-INIZCTEOSA-N 0 0 406.438 2.861 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000010541017 557271353 /nfs/dbraw/zinc/27/13/53/557271353.db2.gz DZWLJHKUFOFHEQ-UHFFFAOYSA-N 0 0 403.442 2.521 50 0 HFAARN Cn1c2nc(NCCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000002602983 557359409 /nfs/dbraw/zinc/35/94/09/557359409.db2.gz QICRPHYLJLBWSV-UHFFFAOYSA-N 0 0 423.904 2.790 50 0 biogenic HFAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccccc1 ZINC000002648268 557360702 /nfs/dbraw/zinc/36/07/02/557360702.db2.gz BJFYTJCQTUYLIK-UHFFFAOYSA-N 0 0 402.516 2.993 50 0 HFAARN COc1ccccc1-n1c2ncn(Cc3ccc(F)cc3)c2c(=O)n(C2CC2)c1=O ZINC000034693006 557373910 /nfs/dbraw/zinc/37/39/10/557373910.db2.gz DMQIRGVYTFTGHN-UHFFFAOYSA-N 0 0 406.417 2.880 50 0 HFAARN Cc1ccccc1Cn1cnc2c1c(=O)n(C[C@@H]1CCCO1)c(=O)n2-c1ccccc1 ZINC000034693439 557374855 /nfs/dbraw/zinc/37/48/55/557374855.db2.gz QEWNRBGVKOEKIE-FQEVSTJZSA-N 0 0 416.481 2.885 50 0 HFAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(CC(C)C)c(=O)n2-c1ccc(C)cc1C ZINC000034693768 557376348 /nfs/dbraw/zinc/37/63/48/557376348.db2.gz OTUKVOWBQXKREV-MRXNPFEDSA-N 0 0 412.490 2.746 50 0 HFAARN CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000002852731 557405401 /nfs/dbraw/zinc/40/54/01/557405401.db2.gz NCRJBCXFDQPNNH-UHFFFAOYSA-N 0 0 403.504 2.865 50 0 HFAARN Cc1ccc(C(=O)N2CCN(C)CC2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034729543 557432672 /nfs/dbraw/zinc/43/26/72/557432672.db2.gz OKMMHVVACUEWHE-UHFFFAOYSA-N 0 0 424.520 2.937 50 0 HFAARN COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Br ZINC000002980834 557435370 /nfs/dbraw/zinc/43/53/70/557435370.db2.gz HDVDLDIYCNDVRW-UHFFFAOYSA-N 0 0 421.276 2.754 50 0 HFAARN COc1ccc(CCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000002984216 557436334 /nfs/dbraw/zinc/43/63/34/557436334.db2.gz NSHMTAYOGVERSC-UHFFFAOYSA-N 0 0 410.923 2.782 50 0 HFAARN O=C(CNC(=O)c1ccc(C(=O)NCC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000003067606 557444717 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HFAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)COc3ccccc3)C2=O)cc1 ZINC000003462414 557488674 /nfs/dbraw/zinc/48/86/74/557488674.db2.gz NRJKIIVIVAQLSJ-AQTBWJFISA-N 0 0 412.467 2.927 50 0 HFAARN O=C(CCCCC(=O)NCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000003661711 557497371 /nfs/dbraw/zinc/49/73/71/557497371.db2.gz UATYYZRDAHTPND-UHFFFAOYSA-N 0 0 412.442 2.637 50 0 HFAARN O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N(C1=CCCCC1)C1CC1 ZINC000035286819 557499261 /nfs/dbraw/zinc/49/92/61/557499261.db2.gz ICLDIKAMFCEJCX-UHFFFAOYSA-N 0 0 417.575 2.583 50 0 HFAARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1cccnc1 ZINC000003999646 557504570 /nfs/dbraw/zinc/50/45/70/557504570.db2.gz LMKUOKKDOOIZLE-YXTQBTIXSA-N 0 0 405.491 2.520 50 0 biogenic HFAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000004046498 557507725 /nfs/dbraw/zinc/50/77/25/557507725.db2.gz QRZNNXHVRRVPLD-FXAWDEMLSA-N 0 0 408.410 2.662 50 0 biogenic HFAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)c(OC)c1 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CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)ccc21 ZINC000022732692 557807026 /nfs/dbraw/zinc/80/70/26/557807026.db2.gz ISFHGKNFUTWMPM-UHFFFAOYSA-N 0 0 409.486 2.528 50 0 HFAARN COc1ccccc1-c1nc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n[nH]1 ZINC000009287330 557834244 /nfs/dbraw/zinc/83/42/44/557834244.db2.gz RNQGKDPNHSZPKB-UHFFFAOYSA-N 0 0 410.459 2.520 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccs4)ccn3n2)cc1OC ZINC000009327545 557837185 /nfs/dbraw/zinc/83/71/85/557837185.db2.gz MXKLKESYLFEFGB-UHFFFAOYSA-N 0 0 424.482 2.558 50 0 HFAARN CCC(=O)N1C[C@H](C(=O)N2CCCCC2)[C@@H](c2cc(OC)c(OC)c(OC)c2)C1 ZINC000097637690 557838322 /nfs/dbraw/zinc/83/83/22/557838322.db2.gz CJELREWXCJJZMT-SJORKVTESA-N 0 0 404.507 2.677 50 0 HFAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)C1CC1 ZINC000022851572 557839159 /nfs/dbraw/zinc/83/91/59/557839159.db2.gz RXIMBLPRZSVPPM-FQEVSTJZSA-N 0 0 411.477 2.944 50 0 HFAARN CCc1nc2sc([C@@H](c3cccc(Cl)c3)[NH+]3CCC(C(N)=O)CC3)c([O-])n2n1 ZINC000022853720 557840463 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CCN(CCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O)c1ccccc1 ZINC000004669571 558880633 /nfs/dbraw/zinc/88/06/33/558880633.db2.gz YLJFCICMKCWQHT-UHFFFAOYSA-N 0 0 408.502 2.664 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccccc3F)n2)cc1 ZINC000013800643 558882211 /nfs/dbraw/zinc/88/22/11/558882211.db2.gz SWGNIQGMFDXVOY-UHFFFAOYSA-N 0 0 411.433 2.643 50 0 HFAARN CCCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000013854704 558887127 /nfs/dbraw/zinc/88/71/27/558887127.db2.gz IHLVRFGNQCJDJS-UHFFFAOYSA-N 0 0 421.453 2.691 50 0 HFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1 ZINC000072333972 558891854 /nfs/dbraw/zinc/89/18/54/558891854.db2.gz HMBITBFFHLAKPV-UHFFFAOYSA-N 0 0 405.248 2.881 50 0 HFAARN CCn1cc(NC(=O)C2CCN([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)cn1 ZINC000058016586 558895641 /nfs/dbraw/zinc/89/56/41/558895641.db2.gz FFTAEBQCPNHSKR-ZDUSSCGKSA-N 0 0 404.540 2.654 50 0 HFAARN CCn1cc(NC(=O)C2CCN([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)cn1 ZINC000058016588 558895705 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420.517 2.787 50 0 HFAARN O=C(NCc1ccnc(-n2cccn2)c1)Nc1cccc(OCCn2cccn2)c1 ZINC000058210068 558912105 /nfs/dbraw/zinc/91/21/05/558912105.db2.gz HGESTNZDOUYGSX-UHFFFAOYSA-N 0 0 403.446 2.865 50 0 HFAARN C[C@@H](C(=O)N(C)CCCOc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000058215297 558912406 /nfs/dbraw/zinc/91/24/06/558912406.db2.gz JFFCHSHFBWCEBT-AWEZNQCLSA-N 0 0 407.898 2.820 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004704349 558913677 /nfs/dbraw/zinc/91/36/77/558913677.db2.gz SGEWDVYZFAYACW-WNZYQOIOSA-N 0 0 412.530 2.752 50 0 HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004704348 558913687 /nfs/dbraw/zinc/91/36/87/558913687.db2.gz SGEWDVYZFAYACW-LOXVZWDBSA-N 0 0 412.530 2.752 50 0 HFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000058246409 558914741 /nfs/dbraw/zinc/91/47/41/558914741.db2.gz HSPLFSVBBFOXKE-ZDUSSCGKSA-N 0 0 406.451 2.676 50 0 HFAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1 ZINC000019551555 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/nfs/dbraw/zinc/48/15/19/568481519.db2.gz WGPJXJBFTZLUHS-PKNBQFBNSA-N 0 0 409.398 2.949 50 0 HFAARN COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604419272 568493054 /nfs/dbraw/zinc/49/30/54/568493054.db2.gz FNTVDILDEGKLRF-HNNXBMFYSA-N 0 0 417.412 2.801 50 0 HFAARN Cn1cc(CCNC(=O)CCN2C(=O)C[C@](C)(c3ccccc3)C2=O)c2ccccc21 ZINC000604418910 568493129 /nfs/dbraw/zinc/49/31/29/568493129.db2.gz OJKZIVDMGOKOIG-RUZDIDTESA-N 0 0 417.509 2.944 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000000814442 568494172 /nfs/dbraw/zinc/49/41/72/568494172.db2.gz OCEDFTSSCRKWOF-MRXNPFEDSA-N 0 0 422.890 2.975 50 0 HFAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cn2cncn2)cc1 ZINC000024945948 568496014 /nfs/dbraw/zinc/49/60/14/568496014.db2.gz SVODAPATUYBVFD-UHFFFAOYSA-N 0 0 402.458 2.614 50 0 HFAARN Cc1c(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008490494 568501987 /nfs/dbraw/zinc/50/19/87/568501987.db2.gz XMKFNOYZJGWCCR-JLHYYAGUSA-N 0 0 409.417 2.819 50 0 HFAARN CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nnn3[C@@H](C)CC)CC1 ZINC000033023244 568510433 /nfs/dbraw/zinc/51/04/33/568510433.db2.gz HTQHWCDAFQOFCH-HNNXBMFYSA-N 0 0 421.567 2.719 50 0 HFAARN COc1ccc(NC(=O)[C@H](N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1Cl ZINC000033040187 568510756 /nfs/dbraw/zinc/51/07/56/568510756.db2.gz ZIDXEBUWPDLREM-CRAIPNDOSA-N 0 0 408.907 2.805 50 0 HFAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CC3)c2=O)c1C ZINC000033141634 568511466 /nfs/dbraw/zinc/51/14/66/568511466.db2.gz NYSIUFUGSVTYDA-UHFFFAOYSA-N 0 0 418.497 2.863 50 0 HFAARN COc1ccc(CSc2nnc3c(S(=O)(=O)N4CCCC4)cccn23)cc1F ZINC000033300325 568513271 /nfs/dbraw/zinc/51/32/71/568513271.db2.gz LXLHTISJUABJRD-UHFFFAOYSA-N 0 0 422.507 2.954 50 0 HFAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(C/C=C\c2ccccc2)c(=O)n1C ZINC000033542590 568515104 /nfs/dbraw/zinc/51/51/04/568515104.db2.gz CVKNYNNEIPMCFX-WQLSENKSSA-N 0 0 421.501 2.516 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2ccc(C)c(OC)c2)CC1 ZINC000024975235 568516506 /nfs/dbraw/zinc/51/65/06/568516506.db2.gz YPEJOASTSDFSTQ-UHFFFAOYSA-N 0 0 409.530 2.891 50 0 HFAARN O=C(Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O)Nc1ccccc1Cl ZINC000012377140 568545736 /nfs/dbraw/zinc/54/57/36/568545736.db2.gz UHXNBTHENDLMLA-UHFFFAOYSA-N 0 0 406.829 2.840 50 0 HFAARN Cc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCOCC2)C3=O)c1 ZINC000020038486 568586636 /nfs/dbraw/zinc/58/66/36/568586636.db2.gz SAWRWGJVIWTESC-JOCHJYFZSA-N 0 0 409.511 2.564 50 0 HFAARN CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCOCC1 ZINC000020155270 568591108 /nfs/dbraw/zinc/59/11/08/568591108.db2.gz QVKDYPMUKYCCHI-UHFFFAOYSA-N 0 0 414.502 2.973 50 0 HFAARN Cc1c(Cl)cccc1S(=O)(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC000390831040 568592314 /nfs/dbraw/zinc/59/23/14/568592314.db2.gz PGGDRKWHLBWKBO-JTQLQIEISA-N 0 0 408.833 2.843 50 0 HFAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccco2)N1CCN1CCOCC1 ZINC000020308164 568598210 /nfs/dbraw/zinc/59/82/10/568598210.db2.gz BPCHWFYVGFDBIW-GOSISDBHSA-N 0 0 414.845 2.917 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NC[C@H](C)c4ccccc4)C3)sc2n1 ZINC000020416617 568606158 /nfs/dbraw/zinc/60/61/58/568606158.db2.gz ZMTHBPIIVFFEKZ-YOEHRIQHSA-N 0 0 411.531 2.596 50 0 HFAARN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cc(-c3ccco3)nc3ccccc32)C1=O ZINC000095406600 568606322 /nfs/dbraw/zinc/60/63/22/568606322.db2.gz ARFGTOKMVAOZQV-LFVRLGFBSA-N 0 0 418.453 2.945 50 0 HFAARN COc1ccc(NC(=O)CN[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1OC ZINC000095427841 568608112 /nfs/dbraw/zinc/60/81/12/568608112.db2.gz CQGKJZBWPPPLNP-QGZVFWFLSA-N 0 0 400.401 2.886 50 0 HFAARN COCCN(Cc1ccco1)C(=O)Cc1c(C)nn(-c2cncc(Cl)n2)c1C ZINC000095432554 568609264 /nfs/dbraw/zinc/60/92/64/568609264.db2.gz HIQRSEBHFVNDCC-UHFFFAOYSA-N 0 0 403.870 2.743 50 0 HFAARN O=S(=O)(Cc1ccccc1)N1CCC(c2nnnn2-c2ccc(F)cc2)CC1 ZINC000020463462 568610019 /nfs/dbraw/zinc/61/00/19/568610019.db2.gz LQHPSLARMJGKLP-UHFFFAOYSA-N 0 0 401.467 2.511 50 0 HFAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3C[C@H](CO)OC[C@@H]3C)cc2)cc1 ZINC000095443781 568611196 /nfs/dbraw/zinc/61/11/96/568611196.db2.gz OBBSAAAUDXLCMQ-HNAYVOBHSA-N 0 0 407.488 2.648 50 0 HFAARN Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1Br ZINC000095451729 568614961 /nfs/dbraw/zinc/61/49/61/568614961.db2.gz ZFTOPNZNDITSNG-ZDUSSCGKSA-N 0 0 400.298 2.551 50 0 HFAARN Cn1cc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)cn1 ZINC000095452558 568615253 /nfs/dbraw/zinc/61/52/53/568615253.db2.gz GCNQSIVVGZNQRF-UHFFFAOYSA-N 0 0 401.879 2.891 50 0 HFAARN CN(c1cc(Br)cc(F)c1C(N)=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000095455279 568616756 /nfs/dbraw/zinc/61/67/56/568616756.db2.gz YSZISVRUJLOUCK-LBPRGKRZSA-N 0 0 408.275 2.582 50 0 HFAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H](CO)Cc1ccc(O)cc1 ZINC000095456332 568617798 /nfs/dbraw/zinc/61/77/98/568617798.db2.gz MYWFKVZYDAUIMU-HNNXBMFYSA-N 0 0 419.890 2.908 50 0 HFAARN C[C@@]1(CCC(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CCC(=O)N1 ZINC000095457380 568618406 /nfs/dbraw/zinc/61/84/06/568618406.db2.gz YGWKRHLDKXNBBI-IBGZPJMESA-N 0 0 412.317 2.727 50 0 HFAARN O=C1N(CN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2C12OCCCO2 ZINC000020508755 568620236 /nfs/dbraw/zinc/62/02/36/568620236.db2.gz AEWQCAQYRNJVHI-UXBLZVDNSA-N 0 0 419.525 2.911 50 0 HFAARN C[C@H]1Sc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2NC1=O ZINC000020509172 568620697 /nfs/dbraw/zinc/62/06/97/568620697.db2.gz YPMGPWVMCBIQTO-OAHLLOKOSA-N 0 0 417.556 2.626 50 0 HFAARN COC(=O)CCN1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)C[C@@H]1C ZINC000095465415 568623402 /nfs/dbraw/zinc/62/34/02/568623402.db2.gz KBGGEIOFHHIBDU-AWEZNQCLSA-N 0 0 414.506 2.933 50 0 HFAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000040111155 568623699 /nfs/dbraw/zinc/62/36/99/568623699.db2.gz VRFGUQKYKOCNIL-WMZHIEFXSA-N 0 0 418.453 2.644 50 0 HFAARN O=C(CN1CCN(c2ccnc(N3CCCCC3)n2)CC1)Nc1ccccc1Cl ZINC000095467677 568624780 /nfs/dbraw/zinc/62/47/80/568624780.db2.gz UECURWCMXRHXTG-UHFFFAOYSA-N 0 0 414.941 2.881 50 0 HFAARN Cc1nc([C@@H]2CN(C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)CCO2)no1 ZINC000095468240 568625084 /nfs/dbraw/zinc/62/50/84/568625084.db2.gz MOXNTYCAORFGEZ-SFHVURJKSA-N 0 0 410.405 2.983 50 0 HFAARN CS(=O)(=O)CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1Cc2ccccc2C1=O ZINC000020531471 568627200 /nfs/dbraw/zinc/62/72/00/568627200.db2.gz OULGTROOVLGTJB-KRWDZBQOSA-N 0 0 424.881 2.877 50 0 HFAARN CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(Cl)cc1 ZINC000020531877 568627532 /nfs/dbraw/zinc/62/75/32/568627532.db2.gz ZJQJDQKOVPOYKL-UHFFFAOYSA-N 0 0 406.866 2.821 50 0 biogenic HFAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)N5CCN(C)CC5)CC4)sc3n2)cc1 ZINC000020531929 568627730 /nfs/dbraw/zinc/62/77/30/568627730.db2.gz OWZNGGYKNJGZFD-UHFFFAOYSA-N 0 0 424.574 2.757 50 0 HFAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc(-c2cccnc2)cs1 ZINC000095473174 568628675 /nfs/dbraw/zinc/62/86/75/568628675.db2.gz VAWAOXMUVSVDSN-INIZCTEOSA-N 0 0 421.482 2.901 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3c(C)nn(C(C)C)c3C)C2=O)cc1 ZINC000095474367 568629301 /nfs/dbraw/zinc/62/93/01/568629301.db2.gz BHDODIXABBDWHL-KRWDZBQOSA-N 0 0 413.478 2.743 50 0 HFAARN O=C(NCc1cccnc1)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000095476287 568630288 /nfs/dbraw/zinc/63/02/88/568630288.db2.gz QWJMHNVGTBRCBF-UHFFFAOYSA-N 0 0 416.485 2.761 50 0 HFAARN O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095477629 568631105 /nfs/dbraw/zinc/63/11/05/568631105.db2.gz KYMGIXHCZFAVDU-SNVBAGLBSA-N 0 0 400.236 2.712 50 0 HFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1 ZINC000095477814 568631262 /nfs/dbraw/zinc/63/12/62/568631262.db2.gz IYGBBJQQKULABN-UHFFFAOYSA-N 0 0 403.442 2.822 50 0 HFAARN O=C(NCc1ccco1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478605 568631920 /nfs/dbraw/zinc/63/19/20/568631920.db2.gz UWORIIIQGWUJGW-JTQLQIEISA-N 0 0 403.236 2.588 50 0 HFAARN COc1ccc([C@H]2[C@@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1 ZINC000095479284 568632443 /nfs/dbraw/zinc/63/24/43/568632443.db2.gz WNEHNKWMYHWEQZ-SFTDATJTSA-N 0 0 404.470 2.688 50 0 HFAARN COc1ccc(OC)c(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000095482705 568634680 /nfs/dbraw/zinc/63/46/80/568634680.db2.gz LNUXEQIHGUTWGC-MRXNPFEDSA-N 0 0 412.490 2.563 50 0 HFAARN Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611937 568637573 /nfs/dbraw/zinc/63/75/73/568637573.db2.gz QIMRYSYVBQAQQB-HXUWFJFHSA-N 0 0 402.454 2.598 50 0 biogenic HFAARN O=C(CN1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccc(Cl)cc1 ZINC000020766549 568643353 /nfs/dbraw/zinc/64/33/53/568643353.db2.gz CQHPAEJQSATJCE-UHFFFAOYSA-N 0 0 404.873 2.674 50 0 HFAARN COCCCNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000020848854 568644706 /nfs/dbraw/zinc/64/47/06/568644706.db2.gz GAGAWZFMPLHABQ-FQEVSTJZSA-N 0 0 420.506 2.657 50 0 HFAARN COCCNC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020848797 568644764 /nfs/dbraw/zinc/64/47/64/568644764.db2.gz LTRUZDZWWWCVHW-LJQANCHMSA-N 0 0 422.934 2.781 50 0 HFAARN COC(=O)C1=C(OC(=O)c2ccc(F)cc2)c2ccccc2S(=O)(=O)N1C(C)C ZINC000020894172 568648540 /nfs/dbraw/zinc/64/85/40/568648540.db2.gz 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CCCN(CCC)c1nn2c(ncc(C(=O)NCCc3cccs3)c2=O)s1 ZINC000020987579 568655398 /nfs/dbraw/zinc/65/53/98/568655398.db2.gz VLGGXOIYHGZLSB-UHFFFAOYSA-N 0 0 405.549 2.811 50 0 HFAARN CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1 ZINC000225601209 568655902 /nfs/dbraw/zinc/65/59/02/568655902.db2.gz JWJPKJVODSZNPR-QUCCMNQESA-N 0 0 400.500 2.618 50 0 HFAARN O=C(c1[nH]nc2c1COc1ccccc1-2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021018452 568657855 /nfs/dbraw/zinc/65/78/55/568657855.db2.gz TUYRRJSFMPMFNX-UHFFFAOYSA-N 0 0 418.453 2.656 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1Cl ZINC000021019242 568658048 /nfs/dbraw/zinc/65/80/48/568658048.db2.gz GHPIXFDIDOVGBB-UHFFFAOYSA-N 0 0 422.890 2.652 50 0 HFAARN CN(C)Cc1cc(NC(=O)Cc2csc(N3CCCNC3=O)n2)ccc1Cl ZINC000225623657 568658097 /nfs/dbraw/zinc/65/80/97/568658097.db2.gz KBZNFVZZGVRCBU-UHFFFAOYSA-N 0 0 407.927 2.959 50 0 HFAARN CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2nc(C(C)(C)C)no2)CC1 ZINC000225670500 568662464 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HFAARN CCC(CC)(NC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)C(=O)OC ZINC000095962153 568670040 /nfs/dbraw/zinc/67/00/40/568670040.db2.gz MCCYCKBTENSMAS-UHFFFAOYSA-N 0 0 422.503 2.526 50 0 HFAARN Cn1cnnc1SCC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000095966239 568670678 /nfs/dbraw/zinc/67/06/78/568670678.db2.gz XQPSQWJMDYQGEB-UHFFFAOYSA-N 0 0 418.500 2.742 50 0 HFAARN Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000021154029 568672967 /nfs/dbraw/zinc/67/29/67/568672967.db2.gz JGIUQQZDLMNWCF-HXUWFJFHSA-N 0 0 405.564 2.674 50 0 HFAARN Cc1ccccc1Cn1cccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000021156167 568673671 /nfs/dbraw/zinc/67/36/71/568673671.db2.gz LPHDLHGACHBKKY-UHFFFAOYSA-N 0 0 411.483 2.768 50 0 HFAARN CON(C)C(=O)CCSc1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccco1 ZINC000225794623 568675182 /nfs/dbraw/zinc/67/51/82/568675182.db2.gz YYNGLWDMKPDVMN-GASCZTMLSA-N 0 0 407.540 2.904 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2cccnc2OC(C)C)c1 ZINC000096006436 568682955 /nfs/dbraw/zinc/68/29/55/568682955.db2.gz OORRDPXSVQVGPV-UHFFFAOYSA-N 0 0 421.519 2.917 50 0 HFAARN Cn1cccc1CN(Cc1cccs1)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000096025731 568686446 /nfs/dbraw/zinc/68/64/46/568686446.db2.gz XGMSRZKDHROHTK-UHFFFAOYSA-N 0 0 417.512 2.923 50 0 HFAARN CCn1nnc2c1ncnc2N1CC(C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000096096798 568689350 /nfs/dbraw/zinc/68/93/50/568689350.db2.gz FJXQCBFUVYZEMT-UHFFFAOYSA-N 0 0 414.882 2.579 50 0 HFAARN O=S(=O)(NC1CCN(c2nccs2)CC1)c1ccc(Br)s1 ZINC000096099850 568690728 /nfs/dbraw/zinc/69/07/28/568690728.db2.gz AFVBMDRHJHVWAD-UHFFFAOYSA-N 0 0 408.368 2.914 50 0 HFAARN CCn1nc(C)cc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)c(OC)cc1=O ZINC000096100850 568691079 /nfs/dbraw/zinc/69/10/79/568691079.db2.gz XSQHKHJWBCGJID-UHFFFAOYSA-N 0 0 401.854 2.736 50 0 HFAARN COc1ccc(-c2nn([C@@H](C)C(=O)Nc3ncc(C)s3)c(=O)cc2OC)cc1 ZINC000096101056 568691284 /nfs/dbraw/zinc/69/12/84/568691284.db2.gz ZUILDYOUXHKQGC-LBPRGKRZSA-N 0 0 400.460 2.892 50 0 HFAARN COc1cc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1N1CCCC1=O ZINC000096103521 568691719 /nfs/dbraw/zinc/69/17/19/568691719.db2.gz GKYSCALTBBPUDF-QKKBWIMNSA-N 0 0 420.531 2.959 50 0 HFAARN COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1F ZINC000096105413 568692811 /nfs/dbraw/zinc/69/28/11/568692811.db2.gz XBUTYQDFRMBVRZ-UHFFFAOYSA-N 0 0 411.433 2.561 50 0 HFAARN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105418 568692843 /nfs/dbraw/zinc/69/28/43/568692843.db2.gz PTLNBIAVEWQJLB-UHFFFAOYSA-N 0 0 402.454 2.895 50 0 HFAARN O=C(Cc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105619 568693075 /nfs/dbraw/zinc/69/30/75/568693075.db2.gz ZXJBVZUGIUQEKE-UHFFFAOYSA-N 0 0 411.889 2.996 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1 ZINC000096114017 568693517 /nfs/dbraw/zinc/69/35/17/568693517.db2.gz KZHBJIMQSCBHJM-SFHVURJKSA-N 0 0 406.442 2.636 50 0 biogenic HFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000096114954 568694722 /nfs/dbraw/zinc/69/47/22/568694722.db2.gz ZEIBYCOIHJUFRS-FQEVSTJZSA-N 0 0 420.444 2.723 50 0 biogenic HFAARN Cc1nnc2ccc(SCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)nn12 ZINC000096116644 568696113 /nfs/dbraw/zinc/69/61/13/568696113.db2.gz AOUYCVPACGZJFQ-UHFFFAOYSA-N 0 0 417.922 2.688 50 0 HFAARN COc1cc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc(OC)c1OCC(N)=O ZINC000012396163 568696979 /nfs/dbraw/zinc/69/69/79/568696979.db2.gz NIPHKIRLIXIYTP-UHFFFAOYSA-N 0 0 410.470 2.806 50 0 HFAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2cccnn2)CC1 ZINC000096119370 568698890 /nfs/dbraw/zinc/69/88/90/568698890.db2.gz NEIGKYUUNYWKSF-UHFFFAOYSA-N 0 0 403.382 2.607 50 0 HFAARN O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000096119818 568699050 /nfs/dbraw/zinc/69/90/50/568699050.db2.gz BOODSJOTHOGQHQ-UHFFFAOYSA-N 0 0 405.453 2.822 50 0 HFAARN CCOC(=O)c1ccc(CNC(=O)N2CC[C@@H](c3nc4ccncc4n3C)C2)cc1 ZINC000096125180 568701271 /nfs/dbraw/zinc/70/12/71/568701271.db2.gz GDEVJAKEZATPFR-QGZVFWFLSA-N 0 0 407.474 2.844 50 0 HFAARN COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2ccc3ccn(C)c3c2)C1=O ZINC000096231940 568707780 /nfs/dbraw/zinc/70/77/80/568707780.db2.gz KXMDHVYNQGQESS-KRWDZBQOSA-N 0 0 406.442 2.636 50 0 HFAARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cccc(OC(F)F)c2)o1 ZINC000096232269 568708080 /nfs/dbraw/zinc/70/80/80/568708080.db2.gz ATNBKYCRFVJQON-HNNXBMFYSA-N 0 0 409.385 2.636 50 0 HFAARN O=C(CCCCCn1nnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1 ZINC000096232603 568708250 /nfs/dbraw/zinc/70/82/50/568708250.db2.gz ZKOJLUSDUZQNMB-UHFFFAOYSA-N 0 0 404.474 2.587 50 0 HFAARN CC(C)Cn1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21 ZINC000096232715 568708256 /nfs/dbraw/zinc/70/82/56/568708256.db2.gz FMXHNFVGESNIHX-UHFFFAOYSA-N 0 0 407.518 2.834 50 0 HFAARN COc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCN(C)CC2)OCCO4)cc1 ZINC000021522509 568708721 /nfs/dbraw/zinc/70/87/21/568708721.db2.gz HIVWICMNCBLYRT-UHFFFAOYSA-N 0 0 419.481 2.997 50 0 HFAARN C[C@@H](CNC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1)c1ccccc1 ZINC000021527139 568709655 /nfs/dbraw/zinc/70/96/55/568709655.db2.gz IABPTBYNCREUJR-LAUBAEHRSA-N 0 0 405.498 2.553 50 0 HFAARN C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCc4ccccc4Cl)c3=O)s2)C1 ZINC000021537543 568712803 /nfs/dbraw/zinc/71/28/03/568712803.db2.gz BCBHQYBOCWBYIP-LBPRGKRZSA-N 0 0 417.922 2.971 50 0 HFAARN COCCn1ccc2nc(C)c(C(=O)NCCSCc3ccco3)cc2c1=O ZINC000021538729 568713253 /nfs/dbraw/zinc/71/32/53/568713253.db2.gz UUXSFGYDEVBZJS-UHFFFAOYSA-N 0 0 401.488 2.608 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000000861859 568714562 /nfs/dbraw/zinc/71/45/62/568714562.db2.gz SGPVECWDPTYVAE-LVSKKATPSA-N 0 0 420.490 2.504 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(OC)c3)[C@@H](C)C2)cc1 ZINC000229969338 568716402 /nfs/dbraw/zinc/71/64/02/568716402.db2.gz SYAFGTZIZOYBRT-INIZCTEOSA-N 0 0 418.515 2.771 50 0 HFAARN COc1ccccc1-c1cc(C(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)no1 ZINC000096279792 568717623 /nfs/dbraw/zinc/71/76/23/568717623.db2.gz UDBSXOYFQGJZNU-KRWDZBQOSA-N 0 0 420.469 2.914 50 0 HFAARN O=C(CCNC(=O)c1ccc(F)cc1F)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000096288955 568719653 /nfs/dbraw/zinc/71/96/53/568719653.db2.gz SCKHHJUQOCTGAX-DAXSKMNVSA-N 0 0 413.468 2.942 50 0 HFAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1C ZINC000012422695 568721116 /nfs/dbraw/zinc/72/11/16/568721116.db2.gz JCLFTHYPWXUTMZ-UHFFFAOYSA-N 0 0 400.508 2.852 50 0 HFAARN CSc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)c1 ZINC000012422961 568721669 /nfs/dbraw/zinc/72/16/69/568721669.db2.gz JKYIQFATIVTVPY-UHFFFAOYSA-N 0 0 400.485 2.987 50 0 HFAARN COc1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)c1 ZINC000096294879 568722368 /nfs/dbraw/zinc/72/23/68/568722368.db2.gz GJEFEZWLJASYLI-ZDUSSCGKSA-N 0 0 424.906 2.783 50 0 HFAARN COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc21 ZINC000012443843 568725095 /nfs/dbraw/zinc/72/50/95/568725095.db2.gz NMRCQCFPCXNZBX-UHFFFAOYSA-N 0 0 422.894 2.925 50 0 HFAARN O=C(CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O)Nc1ccc(F)cc1F ZINC000021634093 568725136 /nfs/dbraw/zinc/72/51/36/568725136.db2.gz LDGNWFZVDRWMMT-UHFFFAOYSA-N 0 0 415.849 2.619 50 0 HFAARN COc1ccccc1NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000021633893 568725186 /nfs/dbraw/zinc/72/51/86/568725186.db2.gz OCRRWBGFUGTMQS-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN COCC(=O)N1CCN(c2nc(C3CC3)nc(C)c2Cc2cccc(OC)c2)CC1 ZINC000096316904 568726049 /nfs/dbraw/zinc/72/60/49/568726049.db2.gz WBCNINXUUKOIIX-UHFFFAOYSA-N 0 0 410.518 2.557 50 0 HFAARN COc1ccc(-n2nc(C(=O)NCc3cccnc3)c3ccccc3c2=O)c(OC)c1 ZINC000002943006 568726813 /nfs/dbraw/zinc/72/68/13/568726813.db2.gz QTBOWHJOZGZOAF-UHFFFAOYSA-N 0 0 416.437 2.728 50 0 HFAARN CC[C@@H](C)NC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccc(C(C)=O)cc2)c1=O ZINC000096318254 568727101 /nfs/dbraw/zinc/72/71/01/568727101.db2.gz VGKRMDGUAPALJT-OAHLLOKOSA-N 0 0 407.470 2.578 50 0 HFAARN COCc1nc(CN(Cc2ccco2)C(C)=O)[nH]c(=O)c1Cc1cccc(OC)c1 ZINC000096317814 568727143 /nfs/dbraw/zinc/72/71/43/568727143.db2.gz MNDGMFIAHSFQMN-UHFFFAOYSA-N 0 0 411.458 2.657 50 0 HFAARN 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COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000223237137 568927382 /nfs/dbraw/zinc/92/73/82/568927382.db2.gz WZRINXLFQGJNBO-UHFFFAOYSA-N 0 0 415.471 2.660 50 0 HFAARN COc1ccc(COC[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 ZINC000031561369 568928201 /nfs/dbraw/zinc/92/82/01/568928201.db2.gz IYMHNIFEJDGORE-INIZCTEOSA-N 0 0 419.279 2.689 50 0 HFAARN CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccc(N(C)C)cc3)=NC2=N1 ZINC000004189660 568929184 /nfs/dbraw/zinc/92/91/84/568929184.db2.gz RDZVINCIWOLQHZ-SFHVURJKSA-N 0 0 408.893 2.843 50 0 HFAARN Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)s1 ZINC000031752067 568930302 /nfs/dbraw/zinc/93/03/02/568930302.db2.gz KEUGMYHHPJUMFW-UHFFFAOYSA-N 0 0 412.558 2.756 50 0 HFAARN C[C@@H](C(=O)c1ccc(Br)cc1)n1nnc(-c2ccc(C(N)=O)cc2)n1 ZINC000031761736 568930681 /nfs/dbraw/zinc/93/06/81/568930681.db2.gz VMEAZLBPECUJOH-JTQLQIEISA-N 0 0 400.236 2.645 50 0 HFAARN COc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1OC ZINC000031773229 568930878 /nfs/dbraw/zinc/93/08/78/568930878.db2.gz FKFMHIHYGIXATR-UHFFFAOYSA-N 0 0 405.501 2.743 50 0 HFAARN COc1ccc(C[C@@H](CO)CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1O ZINC000084028652 568933227 /nfs/dbraw/zinc/93/32/27/568933227.db2.gz IEWZJQMTHVBMKG-MRXNPFEDSA-N 0 0 412.490 2.616 50 0 HFAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccc1F ZINC000012747303 568933246 /nfs/dbraw/zinc/93/32/46/568933246.db2.gz CJJKLXIHQVYENC-UHFFFAOYSA-N 0 0 405.495 3.000 50 0 HFAARN Cn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1[C@H]1COc2ccccc2O1 ZINC000012747810 568934157 /nfs/dbraw/zinc/93/41/57/568934157.db2.gz SSKRDUNCSQXMGP-QGZVFWFLSA-N 0 0 422.466 2.716 50 0 HFAARN COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(OC)c1OCC(N)=O ZINC000012748111 568934178 /nfs/dbraw/zinc/93/41/78/568934178.db2.gz UCVZFPHSUZKQDA-UHFFFAOYSA-N 0 0 405.476 2.546 50 0 HFAARN CC(C)Cn1cc(C(=O)NCCCN2CCCC2=O)c2c3ccccc3n(C)c2c1=O ZINC000004057518 568936855 /nfs/dbraw/zinc/93/68/55/568936855.db2.gz CTZXONXDWCYGSL-UHFFFAOYSA-N 0 0 422.529 2.892 50 0 HFAARN COc1ccc(CNC(=O)Cc2ccc(-n3c(=O)[nH]c4ccsc4c3=O)cc2)cc1 ZINC000004790307 568937200 /nfs/dbraw/zinc/93/72/00/568937200.db2.gz PEIKYYDCXLBHIC-UHFFFAOYSA-N 0 0 421.478 2.608 50 0 HFAARN O=C(N[C@@H]1CCSC1=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O ZINC000001422939 568938497 /nfs/dbraw/zinc/93/84/97/568938497.db2.gz CTLKQHBUZNPNSZ-OAHLLOKOSA-N 0 0 416.886 2.772 50 0 HFAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cc(C)no3)C2=O)cc1 ZINC000012751657 568940935 /nfs/dbraw/zinc/94/09/35/568940935.db2.gz CTMVXJYIDMNPAR-UHFFFAOYSA-N 0 0 407.426 2.996 50 0 HFAARN COc1ccc2c(C)c(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc2c1OC ZINC000004089525 568941706 /nfs/dbraw/zinc/94/17/06/568941706.db2.gz LHLKQTQDWMSLOU-UHFFFAOYSA-N 0 0 411.410 2.706 50 0 biogenic HFAARN CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012753744 568942120 /nfs/dbraw/zinc/94/21/20/568942120.db2.gz CKTAPAWCFUCJMD-ZCNNSNEGSA-N 0 0 423.513 2.883 50 0 HFAARN COc1c2c(cc3c1[C@@H](C[C@](C)(NC=O)C(=O)CC1CCCC1)N(C)CC3)OCO2 ZINC000004090637 568942266 /nfs/dbraw/zinc/94/22/66/568942266.db2.gz FPAPHBQBVPMACY-HXOBKFHXSA-N 0 0 416.518 2.997 50 0 biogenic HFAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000004100993 568942814 /nfs/dbraw/zinc/94/28/14/568942814.db2.gz JNMKVORZTMLBOZ-UHFFFAOYSA-N 0 0 418.519 2.630 50 0 aggregator HFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C1=Cc2ccccc2OC1 ZINC000012755878 568942850 /nfs/dbraw/zinc/94/28/50/568942850.db2.gz OBVYBKXZIJHXTD-HNNXBMFYSA-N 0 0 405.454 2.685 50 0 HFAARN O=C(Nc1ccccc1O)C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000012757814 568943209 /nfs/dbraw/zinc/94/32/09/568943209.db2.gz ZLZXKOPBWKHOPR-GOSISDBHSA-N 0 0 411.433 2.514 50 0 HFAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NCC(=O)Nc2c(C)cccc2C)c1 ZINC000012757692 568943227 /nfs/dbraw/zinc/94/32/27/568943227.db2.gz AGRDROPKDBDLHX-UHFFFAOYSA-N 0 0 409.515 2.914 50 0 HFAARN Cc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(F)c4)CC3)n2)cc1 ZINC000012760019 568944053 /nfs/dbraw/zinc/94/40/53/568944053.db2.gz OFCLUANJRRFWKF-UHFFFAOYSA-N 0 0 410.449 2.907 50 0 HFAARN CN(CC1CC1)C(=O)C[C@]1(C(=O)N(C)CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC000084200003 568944405 /nfs/dbraw/zinc/94/44/05/568944405.db2.gz QYFKMHLWTVCJHW-JOCHJYFZSA-N 0 0 407.555 2.741 50 0 HFAARN Cc1ccccc1-n1c(SCCCOC(=O)NC(N)=O)nnc1-c1cccnc1 ZINC000084247911 568945073 /nfs/dbraw/zinc/94/50/73/568945073.db2.gz ZNPNNDPMKJFDRV-UHFFFAOYSA-N 0 0 412.475 2.925 50 0 HFAARN COc1cc(OC)cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000012762092 568946299 /nfs/dbraw/zinc/94/62/99/568946299.db2.gz QQORFFPIYKRDIG-UHFFFAOYSA-N 0 0 418.515 2.808 50 0 HFAARN CN(CCOc1ccc(Br)cc1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000015536495 568946778 /nfs/dbraw/zinc/94/67/78/568946778.db2.gz YSQGGHHYGYPLCN-UHFFFAOYSA-N 0 0 417.259 2.583 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000012764944 568947907 /nfs/dbraw/zinc/94/79/07/568947907.db2.gz PSJPTPUXNCKGGO-UHFFFAOYSA-N 0 0 408.433 2.908 50 0 HFAARN Cc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1I ZINC000012768584 568950053 /nfs/dbraw/zinc/95/00/53/568950053.db2.gz LMJRBLISLUUHDI-UHFFFAOYSA-N 0 0 411.243 2.871 50 0 HFAARN NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000084539426 568950732 /nfs/dbraw/zinc/95/07/32/568950732.db2.gz ZZSGNRZSGYRTSJ-FQEVSTJZSA-N 0 0 424.501 2.786 50 0 HFAARN CN(C(=O)CSc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000004195204 568951144 /nfs/dbraw/zinc/95/11/44/568951144.db2.gz GSXHREDHTYHYBH-ZDUSSCGKSA-N 0 0 400.522 2.687 50 0 HFAARN NC(=O)[C@H]1CN(C(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CCO1 ZINC000084603338 568952444 /nfs/dbraw/zinc/95/24/44/568952444.db2.gz HWZUOCKJLOWXDX-MRXNPFEDSA-N 0 0 401.532 2.892 50 0 HFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCOc1ccccc1 ZINC000012772593 568952771 /nfs/dbraw/zinc/95/27/71/568952771.db2.gz RFBWLSBICIWQGI-UHFFFAOYSA-N 0 0 402.516 2.599 50 0 HFAARN O=C(C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1)N1CCOCC1 ZINC000012774010 568953231 /nfs/dbraw/zinc/95/32/31/568953231.db2.gz VBIVXKCVYNCELX-SFHVURJKSA-N 0 0 408.907 2.609 50 0 HFAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H](C)C(=O)OC ZINC000012775931 568954228 /nfs/dbraw/zinc/95/42/28/568954228.db2.gz ZCKRVRFTYCRNOV-ZDUSSCGKSA-N 0 0 411.410 2.600 50 0 HFAARN CCOc1ccccc1NC(=O)CSc1nnc2[nH]c(=O)c(C(C)(C)C)nn21 ZINC000004251436 568955379 /nfs/dbraw/zinc/95/53/79/568955379.db2.gz QYOOBRZMPVNSMW-UHFFFAOYSA-N 0 0 402.480 2.652 50 0 HFAARN O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1cccc2ccccc21 ZINC000004266783 568956247 /nfs/dbraw/zinc/95/62/47/568956247.db2.gz PDSNVYPZUNTLNT-UHFFFAOYSA-N 0 0 414.400 2.908 50 0 HFAARN O=C(NCCc1nnc2ccc(SCc3ccccn3)nn21)c1ccc(F)cc1 ZINC000004272446 568957365 /nfs/dbraw/zinc/95/73/65/568957365.db2.gz GLGXCCJLUKMOKN-UHFFFAOYSA-N 0 0 408.462 2.923 50 0 HFAARN COc1ccc(NC(=O)CN(C)C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000012780988 568957719 /nfs/dbraw/zinc/95/77/19/568957719.db2.gz NIKRVDDAUHOXQR-UHFFFAOYSA-N 0 0 413.865 2.948 50 0 HFAARN O=C(CCNC(=O)Cc1ccccc1)Nc1ccccc1I ZINC000012781526 568958111 /nfs/dbraw/zinc/95/81/11/568958111.db2.gz MZCRIXKWKIAMTM-UHFFFAOYSA-N 0 0 408.239 2.979 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN(C)Cc3cnc(C)s3)nc2c1 ZINC000084774000 568958993 /nfs/dbraw/zinc/95/89/93/568958993.db2.gz MLFVOXJRDWMBMF-UHFFFAOYSA-N 0 0 407.565 2.990 50 0 HFAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012784118 568959112 /nfs/dbraw/zinc/95/91/12/568959112.db2.gz GGANJKZASLXGBO-UHFFFAOYSA-N 0 0 401.463 2.987 50 0 HFAARN Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000004285648 568959200 /nfs/dbraw/zinc/95/92/00/568959200.db2.gz UZSMCXKGBQVGIH-AWEZNQCLSA-N 0 0 400.456 2.700 50 0 HFAARN C[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(-n2ccnc2)cc1 ZINC000012785076 568959534 /nfs/dbraw/zinc/95/95/34/568959534.db2.gz UEUCKYCEUSHGGP-AWEZNQCLSA-N 0 0 407.405 2.706 50 0 HFAARN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)N[C@H]1CCCc2ccccc21 ZINC000015669689 568961164 /nfs/dbraw/zinc/96/11/64/568961164.db2.gz DGSKFISPEAVXBY-FQEVSTJZSA-N 0 0 417.465 2.875 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)cc1 ZINC000015669699 568961221 /nfs/dbraw/zinc/96/12/21/568961221.db2.gz NRCKDDWKLAWGIM-UHFFFAOYSA-N 0 0 405.410 2.523 50 0 HFAARN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)N[C@@H]1CCCc2ccccc21 ZINC000015669688 568961231 /nfs/dbraw/zinc/96/12/31/568961231.db2.gz DGSKFISPEAVXBY-HXUWFJFHSA-N 0 0 417.465 2.875 50 0 HFAARN C[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 ZINC000004314044 568961321 /nfs/dbraw/zinc/96/13/21/568961321.db2.gz FUUMYKUEPMMFHF-JZUUQJBKSA-N 0 0 407.518 2.522 50 0 HFAARN C[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 ZINC000004314045 568961377 /nfs/dbraw/zinc/96/13/77/568961377.db2.gz FUUMYKUEPMMFHF-VEMDQMBVSA-N 0 0 407.518 2.522 50 0 HFAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000015672157 568962574 /nfs/dbraw/zinc/96/25/74/568962574.db2.gz NAAGCOYWPKELQA-AWEZNQCLSA-N 0 0 419.938 2.851 50 0 HFAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000015672155 568962602 /nfs/dbraw/zinc/96/26/02/568962602.db2.gz NAAGCOYWPKELQA-CQSZACIVSA-N 0 0 419.938 2.851 50 0 HFAARN Nn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1Cl ZINC000007977320 568962952 /nfs/dbraw/zinc/96/29/52/568962952.db2.gz OFPLCJCVYQOKOO-UHFFFAOYSA-N 0 0 400.213 2.736 50 0 HFAARN O=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000007980155 568963530 /nfs/dbraw/zinc/96/35/30/568963530.db2.gz PACZXVQDAVULOO-SFHVURJKSA-N 0 0 412.511 2.751 50 0 HFAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000007982239 568963824 /nfs/dbraw/zinc/96/38/24/568963824.db2.gz DLOULRBDIWXHIB-RTWAWAEBSA-N 0 0 416.477 2.984 50 0 HFAARN COc1ccccc1Nc1ncccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 ZINC000007982672 568963893 /nfs/dbraw/zinc/96/38/93/568963893.db2.gz MAVQDWXCRRAIPT-UHFFFAOYSA-N 0 0 419.437 2.876 50 0 HFAARN Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)n3C)n2)cc1 ZINC000007987400 568965187 /nfs/dbraw/zinc/96/51/87/568965187.db2.gz QYRBWQHAPLDZIA-UHFFFAOYSA-N 0 0 405.491 2.989 50 0 HFAARN CCn1c(CCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(S(N)(=O)=O)ccc21 ZINC000007988071 568965524 /nfs/dbraw/zinc/96/55/24/568965524.db2.gz XGCXMJUCTSOTIQ-UHFFFAOYSA-N 0 0 412.515 2.764 50 0 HFAARN Cc1ccc2onc(CNC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000015678479 568966501 /nfs/dbraw/zinc/96/65/01/568966501.db2.gz VMPXNUZLVYLPBA-UHFFFAOYSA-N 0 0 408.458 2.892 50 0 HFAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccccc4C(N)=O)C3)n2)cc1 ZINC000015678999 568966714 /nfs/dbraw/zinc/96/67/14/568966714.db2.gz GULGIVSBILHBKW-OAHLLOKOSA-N 0 0 421.457 2.699 50 0 HFAARN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000007990238 568966776 /nfs/dbraw/zinc/96/67/76/568966776.db2.gz RSOVYXXLLJWIFO-OALUTQOASA-N 0 0 420.465 2.919 50 0 HFAARN Cc1ccc(C)c(NC(=O)Cn2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c1 ZINC000015681213 568967793 /nfs/dbraw/zinc/96/77/93/568967793.db2.gz RRUTWSNKIPHZGV-UHFFFAOYSA-N 0 0 407.409 2.972 50 0 HFAARN CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000008011135 568968138 /nfs/dbraw/zinc/96/81/38/568968138.db2.gz CBDLSVURGBXMEX-UHFFFAOYSA-N 0 0 405.520 2.617 50 0 HFAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008084366 568973259 /nfs/dbraw/zinc/97/32/59/568973259.db2.gz GYZLMTAMDILCCC-OAHLLOKOSA-N 0 0 400.862 2.823 50 0 HFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000008122343 568974458 /nfs/dbraw/zinc/97/44/58/568974458.db2.gz IRSLMEVIZABSNS-UHFFFAOYSA-N 0 0 415.515 2.991 50 0 HFAARN COc1ccc(NC(=O)CCc2c(C)nc(SCC(N)=O)nc2C)cc1Cl ZINC000008118136 568974551 /nfs/dbraw/zinc/97/45/51/568974551.db2.gz RDZWSIUSGRXONS-UHFFFAOYSA-N 0 0 408.911 2.904 50 0 HFAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008129157 568974832 /nfs/dbraw/zinc/97/48/32/568974832.db2.gz NNMGCEWNQIKCCD-GOEBONIOSA-N 0 0 414.535 2.593 50 0 HFAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000008129412 568974898 /nfs/dbraw/zinc/97/48/98/568974898.db2.gz FYKJQCILLCJLBZ-CZUORRHYSA-N 0 0 402.520 2.637 50 0 HFAARN CCCCN(C)C(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000004307125 568977901 /nfs/dbraw/zinc/97/79/01/568977901.db2.gz LXAPDHDINQNNOU-GJZGRUSLSA-N 0 0 415.968 2.892 50 0 HFAARN COc1cccc(OC)c1C(=O)NC(=S)NN1CCCC[C@H]1c1cccnc1 ZINC000001442193 568978029 /nfs/dbraw/zinc/97/80/29/568978029.db2.gz BHLJECARPHWWFW-HNNXBMFYSA-N 0 0 400.504 2.845 50 0 biogenic HFAARN C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)N1CCc2ccccc21 ZINC000015726810 568978195 /nfs/dbraw/zinc/97/81/95/568978195.db2.gz LELZKFZDDYLRCI-CYBMUJFWSA-N 0 0 416.524 2.730 50 0 HFAARN COC(=O)c1ccccc1NC(=O)c1c(C)oc2nc(C)nc(N3CCOCC3)c21 ZINC000015727852 568979052 /nfs/dbraw/zinc/97/90/52/568979052.db2.gz DEMRJDOYGZIZND-UHFFFAOYSA-N 0 0 410.430 2.715 50 0 HFAARN CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000015728484 568979465 /nfs/dbraw/zinc/97/94/65/568979465.db2.gz FIQAQNBATDGYKS-UHFFFAOYSA-N 0 0 421.563 2.811 50 0 HFAARN Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008164984 568979544 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CCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nnc1C1CC1 ZINC000008249216 568985114 /nfs/dbraw/zinc/98/51/14/568985114.db2.gz NKUZREYNPRECOW-OAHLLOKOSA-N 0 0 422.576 2.928 50 0 HFAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 ZINC000012812099 568985891 /nfs/dbraw/zinc/98/58/91/568985891.db2.gz DHOOKCOHYKANBJ-NSHDSACASA-N 0 0 401.394 2.927 50 0 HFAARN CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@H]2CCS(=O)(=O)C2)c1=S ZINC000012813283 568987066 /nfs/dbraw/zinc/98/70/66/568987066.db2.gz FMTFKYGKJABMOT-AWEZNQCLSA-N 0 0 400.957 2.831 50 0 HFAARN Cc1ccccc1[C@H](C)NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000008278871 568987273 /nfs/dbraw/zinc/98/72/73/568987273.db2.gz YPZDNDIIPSWGLL-HNNXBMFYSA-N 0 0 405.433 2.907 50 0 HFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000001463543 568988982 /nfs/dbraw/zinc/98/89/82/568988982.db2.gz MHJWOLOJYCYHIG-HNNXBMFYSA-N 0 0 417.487 2.904 50 0 HFAARN COc1ccc(NC(=O)CN(C)C(=O)CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000008312919 568989093 /nfs/dbraw/zinc/98/90/93/568989093.db2.gz FOPXWSRVTUSBGB-UHFFFAOYSA-N 0 0 419.481 2.604 50 0 HFAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCc1nnc2nc(C)cc(C)n12 ZINC000012814591 568989135 /nfs/dbraw/zinc/98/91/35/568989135.db2.gz FXGNLEZJDGRNNW-UHFFFAOYSA-N 0 0 403.490 2.841 50 0 HFAARN C[C@@H](NC(=O)c1ccccc1NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000012815573 568989545 /nfs/dbraw/zinc/98/95/45/568989545.db2.gz OYAAWIPFOCXZSR-HZPDHXFCSA-N 0 0 400.500 2.941 50 0 HFAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC3)C1=O ZINC000008323835 568990496 /nfs/dbraw/zinc/99/04/96/568990496.db2.gz SOUHRFBULXBJSG-XMMPIXPASA-N 0 0 420.465 2.987 50 0 HFAARN CCn1nc(C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c2ccccc2c1=O ZINC000008324924 568991456 /nfs/dbraw/zinc/99/14/56/568991456.db2.gz IBAQTLVFWJREMJ-UHFFFAOYSA-N 0 0 417.469 2.537 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1C ZINC000008327514 568992223 /nfs/dbraw/zinc/99/22/23/568992223.db2.gz HDMLSSYPKXFXDQ-QGZVFWFLSA-N 0 0 416.499 2.761 50 0 HFAARN Cc1sc2ncn(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)c(=O)c2c1C ZINC000008328708 568992728 /nfs/dbraw/zinc/99/27/28/568992728.db2.gz FGCTURZABOTGPK-UHFFFAOYSA-N 0 0 414.878 2.948 50 0 HFAARN Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)on2)cc1 ZINC000008329075 568992968 /nfs/dbraw/zinc/99/29/68/568992968.db2.gz ZSNXCUIKJZHGGQ-AWEZNQCLSA-N 0 0 400.464 2.546 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006078090 568993252 /nfs/dbraw/zinc/99/32/52/568993252.db2.gz VLTSUHVZWFHCND-OAQYLSRUSA-N 0 0 414.527 2.823 50 0 HFAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1nc2ccsc2c(=O)[nH]1 ZINC000008345403 568994466 /nfs/dbraw/zinc/99/44/66/568994466.db2.gz JZALNMDAJHZCFQ-INIZCTEOSA-N 0 0 415.471 2.979 50 0 HFAARN COc1cccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 ZINC000013009180 568995336 /nfs/dbraw/zinc/99/53/36/568995336.db2.gz CZYBPUICLUPAIF-UHFFFAOYSA-N 0 0 407.478 2.642 50 0 HFAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)OC(C)(C)C)cc2)C1 ZINC000006084832 568997180 /nfs/dbraw/zinc/99/71/80/568997180.db2.gz BLJRGQLETIRITH-HUUCEWRRSA-N 0 0 411.520 2.852 50 0 HFAARN CC(=O)c1ccc(OCCCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000006085201 568997279 /nfs/dbraw/zinc/99/72/79/568997279.db2.gz IWHBXESHLRAYJB-UHFFFAOYSA-N 0 0 413.426 2.637 50 0 HFAARN O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O ZINC000013282459 568999301 /nfs/dbraw/zinc/99/93/01/568999301.db2.gz QJKFNFVWGVFUBU-GOSISDBHSA-N 0 0 412.412 2.869 50 0 HFAARN Cc1nnsc1C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000038554998 569001373 /nfs/dbraw/zinc/00/13/73/569001373.db2.gz JHXSFPCTUWOPRI-HNNXBMFYSA-N 0 0 408.549 2.518 50 0 HFAARN O=S(=O)(c1ccc(N2CCC(Cc3ccccc3)CC2)nc1)N1CCOCC1 ZINC000038556887 569001404 /nfs/dbraw/zinc/00/14/04/569001404.db2.gz YEFZOSFRIFVSED-UHFFFAOYSA-N 0 0 401.532 2.562 50 0 HFAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000008424702 569002045 /nfs/dbraw/zinc/00/20/45/569002045.db2.gz AYUIXNHOQKTCID-UHFFFAOYSA-N 0 0 417.469 2.613 50 0 HFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2)CC3)ccc1F ZINC000015780653 569002225 /nfs/dbraw/zinc/00/22/25/569002225.db2.gz XNYBAVHCIHLCCB-UHFFFAOYSA-N 0 0 418.490 2.788 50 0 HFAARN CC(=O)Nc1cccc(C(=O)OCC(=O)NCc2cccc(Br)c2)c1 ZINC000067198434 569003193 /nfs/dbraw/zinc/00/31/93/569003193.db2.gz VJEUXXSXKDONGB-UHFFFAOYSA-N 0 0 405.248 2.881 50 0 HFAARN COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2-c2ccc(OC)cc2)cc1 ZINC000067198624 569003249 /nfs/dbraw/zinc/00/32/49/569003249.db2.gz FSYFNCVLQIUTAV-UHFFFAOYSA-N 0 0 407.426 2.653 50 0 HFAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCc2cccc(OC)c2OC)cc1 ZINC000067198620 569003273 /nfs/dbraw/zinc/00/32/73/569003273.db2.gz AQUIXVPLHSGQEI-UHFFFAOYSA-N 0 0 423.469 2.561 50 0 HFAARN CCOC(=O)C1=C(CSc2nnc(C)n2-c2ccccc2)NC(=O)N[C@H]1CC ZINC000006110263 569003482 /nfs/dbraw/zinc/00/34/82/569003482.db2.gz JSIJTBSKBFVXKU-AWEZNQCLSA-N 0 0 401.492 2.576 50 0 HFAARN O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000038621938 569003688 /nfs/dbraw/zinc/00/36/88/569003688.db2.gz RIJDFLZSBBAKKT-IBGZPJMESA-N 0 0 412.914 2.972 50 0 HFAARN COc1cccc(CNC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 ZINC000085598100 569003783 /nfs/dbraw/zinc/00/37/83/569003783.db2.gz QAYQNCLIGQANQM-UHFFFAOYSA-N 0 0 419.547 2.991 50 0 HFAARN COc1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O ZINC000067226071 569004079 /nfs/dbraw/zinc/00/40/79/569004079.db2.gz CCTCKZHPNBBDBL-CYBMUJFWSA-N 0 0 413.503 2.737 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1 ZINC000067226131 569004169 /nfs/dbraw/zinc/00/41/69/569004169.db2.gz BBDAQAMTDQCDPR-ZDUSSCGKSA-N 0 0 413.503 2.737 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1 ZINC000085628376 569004971 /nfs/dbraw/zinc/00/49/71/569004971.db2.gz DDZKSNXLRCMCHI-MRXNPFEDSA-N 0 0 420.469 2.955 50 0 HFAARN Cc1ccc2oc(CN3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nc2c1 ZINC000085650007 569005725 /nfs/dbraw/zinc/00/57/25/569005725.db2.gz AGMRVHYWRWROQO-UHFFFAOYSA-N 0 0 407.442 2.921 50 0 HFAARN O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1cccc(Cl)c1Cl ZINC000012821678 569005744 /nfs/dbraw/zinc/00/57/44/569005744.db2.gz YXVGOVFTNZSYLG-UHFFFAOYSA-N 0 0 402.303 2.704 50 0 HFAARN COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c(F)c1 ZINC000104368727 569008573 /nfs/dbraw/zinc/00/85/73/569008573.db2.gz CIQNPFUEESQFMS-GOSISDBHSA-N 0 0 404.482 2.617 50 0 HFAARN CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000012846255 569010112 /nfs/dbraw/zinc/01/01/12/569010112.db2.gz ROBFTEMVCVCTBP-UHFFFAOYSA-N 0 0 406.357 2.984 50 0 HFAARN Cc1cc(=O)oc2cc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc12 ZINC000012848179 569010214 /nfs/dbraw/zinc/01/02/14/569010214.db2.gz RDJYZENVHRYAIF-JOCHJYFZSA-N 0 0 405.410 2.507 50 0 HFAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)CC1 ZINC000012853890 569010859 /nfs/dbraw/zinc/01/08/59/569010859.db2.gz CSRSURVWEPNLHH-UHFFFAOYSA-N 0 0 419.507 2.823 50 0 HFAARN Cc1ccc(N2C(=O)N([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)C(=O)[C@H]2C)cc1 ZINC000012860437 569011632 /nfs/dbraw/zinc/01/16/32/569011632.db2.gz YWMPZOPBPBRAJA-LSDHHAIUSA-N 0 0 409.442 2.586 50 0 HFAARN O=C(Nc1cccc(I)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000012869269 569012389 /nfs/dbraw/zinc/01/23/89/569012389.db2.gz FLJPZFSSZMVYAZ-LLVKDONJSA-N 0 0 410.211 2.871 50 0 HFAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12)c1ccc(Cl)cc1 ZINC000043191140 569012911 /nfs/dbraw/zinc/01/29/11/569012911.db2.gz WJPVALWHXGUUEI-MKXGPGLRSA-N 0 0 405.841 2.937 50 0 HFAARN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@@H]2C(=O)c1ccccc1Cl ZINC000043191193 569012914 /nfs/dbraw/zinc/01/29/14/569012914.db2.gz MWJBSBULFXAXKK-RDGPPVDQSA-N 0 0 407.857 2.917 50 0 HFAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN12)c1ccc(Cl)cc1 ZINC000104272270 569013158 /nfs/dbraw/zinc/01/31/58/569013158.db2.gz WJPVALWHXGUUEI-OKYOBFRVSA-N 0 0 405.841 2.937 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c1 ZINC000012871474 569013316 /nfs/dbraw/zinc/01/33/16/569013316.db2.gz 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CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cccc3ccccc31)c(=O)n2C ZINC000015880373 569017831 /nfs/dbraw/zinc/01/78/31/569017831.db2.gz UOAPTPOCEYDVRZ-UHFFFAOYSA-N 0 0 418.453 2.594 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(C(=O)Nc2ccccc2)ccc1=O ZINC000015884300 569019580 /nfs/dbraw/zinc/01/95/80/569019580.db2.gz TVYHBZLSDRQCQU-UHFFFAOYSA-N 0 0 412.833 2.796 50 0 HFAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1=O ZINC000012892368 569020018 /nfs/dbraw/zinc/02/00/18/569020018.db2.gz WTHUXVXQFDPZHM-SJLPKXTDSA-N 0 0 411.527 2.642 50 0 HFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1coc2c1ccc(C)c2C ZINC000012890750 569020031 /nfs/dbraw/zinc/02/00/31/569020031.db2.gz ADLZPUXQDVBCNG-UHFFFAOYSA-N 0 0 400.500 2.958 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1 ZINC000012901110 569020760 /nfs/dbraw/zinc/02/07/60/569020760.db2.gz OXAWTUWULNJCBS-UHFFFAOYSA-N 0 0 408.495 2.506 50 0 HFAARN CC(=O)N[C@H](CC(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1)c1ccccc1 ZINC000012904405 569021102 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/nfs/dbraw/zinc/09/62/32/569096232.db2.gz SZVUCJSAPFSMME-CQSZACIVSA-N 0 0 409.442 2.846 50 0 HFAARN Cc1ccc(C)c(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)c1 ZINC000006720414 569098224 /nfs/dbraw/zinc/09/82/24/569098224.db2.gz GXGOLALMEIVWNI-GOSISDBHSA-N 0 0 402.516 2.794 50 0 HFAARN COc1cccc(-c2cnn(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)n2)c1 ZINC000064813090 569099734 /nfs/dbraw/zinc/09/97/34/569099734.db2.gz FKPXCRHHVNEXQF-UHFFFAOYSA-N 0 0 400.822 2.615 50 0 HFAARN COc1ccccc1NC(=O)Cc1c(C)n(C)c2nc(-c3ccccc3)nn2c1=O ZINC000064813404 569099797 /nfs/dbraw/zinc/09/97/97/569099797.db2.gz HZEOYOBJAQVRRD-UHFFFAOYSA-N 0 0 403.442 2.593 50 0 HFAARN Cc1c(CC(=O)Nc2cc(F)cc(F)c2)c(=O)n2nc(-c3ccccc3)nc2n1C ZINC000064813478 569099886 /nfs/dbraw/zinc/09/98/86/569099886.db2.gz CJSRIXZBSIPAES-UHFFFAOYSA-N 0 0 409.396 2.863 50 0 HFAARN Cc1ccc(NC(=O)CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000007973325 569100299 /nfs/dbraw/zinc/10/02/99/569100299.db2.gz WQOXNHJOGWDSEO-UHFFFAOYSA-N 0 0 417.531 2.683 50 0 HFAARN CCCC(=O)OC[C@@H](O)CN(CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036158678 569102378 /nfs/dbraw/zinc/10/23/78/569102378.db2.gz DGJGDDSKMGEGOQ-AWEZNQCLSA-N 0 0 421.563 2.780 50 0 HFAARN Cn1c(OCc2ccccc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C ZINC000006732645 569103668 /nfs/dbraw/zinc/10/36/68/569103668.db2.gz MQCRPFVTSUDRSM-UHFFFAOYSA-N 0 0 410.861 2.714 50 0 biogenic HFAARN C[C@H](NC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000006739001 569105694 /nfs/dbraw/zinc/10/56/94/569105694.db2.gz KOPMBZHKROTKNR-KKXDTOCCSA-N 0 0 415.540 2.858 50 0 HFAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)cc1 ZINC000006750906 569109911 /nfs/dbraw/zinc/10/99/11/569109911.db2.gz ZVDVAPYYBFGWRO-QGZVFWFLSA-N 0 0 411.531 2.555 50 0 HFAARN O=C(N[C@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000036208763 569109975 /nfs/dbraw/zinc/10/99/75/569109975.db2.gz MCOPOYCGVFZBOE-NRFANRHFSA-N 0 0 423.488 2.755 50 0 HFAARN CN(Cc1ccccc1)C(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCCC2)cc1 ZINC000006752419 569110364 /nfs/dbraw/zinc/11/03/64/569110364.db2.gz WFWGIQZUUZVBEL-UHFFFAOYSA-N 0 0 403.482 2.767 50 0 HFAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)C(C)C)CC1 ZINC000036210630 569111185 /nfs/dbraw/zinc/11/11/85/569111185.db2.gz SRRIYFIUMYTMRY-YLJYHZDGSA-N 0 0 401.551 2.903 50 0 HFAARN CCc1nc2ccccc2c(=O)n1Cc1noc(CNC(=O)c2ccc(C)cc2)n1 ZINC000064867569 569112618 /nfs/dbraw/zinc/11/26/18/569112618.db2.gz UXTFTTKWDRDLDC-UHFFFAOYSA-N 0 0 403.442 2.629 50 0 HFAARN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)NC(C)C)CC1 ZINC000036214213 569112627 /nfs/dbraw/zinc/11/26/27/569112627.db2.gz KNVCZROOQVOLLJ-FQEVSTJZSA-N 0 0 414.550 2.546 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NC1CCCCCCC1 ZINC000064888967 569115607 /nfs/dbraw/zinc/11/56/07/569115607.db2.gz NGOOGCQHQDUJCR-UHFFFAOYSA-N 0 0 406.552 2.906 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(C)cn1 ZINC000064889021 569115735 /nfs/dbraw/zinc/11/57/35/569115735.db2.gz WOMNTJJSCFKHNK-UHFFFAOYSA-N 0 0 415.519 2.799 50 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/nfs/dbraw/zinc/11/98/09/569119809.db2.gz DAXUEQJHGNYYIB-FQEVSTJZSA-N 0 0 419.566 2.718 50 0 HFAARN Cc1ccc(C(=O)N2CCN([C@H](C(=O)N3CCSCC3)C3CCCC3)CC2)cc1 ZINC000036251155 569119882 /nfs/dbraw/zinc/11/98/82/569119882.db2.gz DVSKHUMDHSEOIA-NRFANRHFSA-N 0 0 415.603 2.887 50 0 HFAARN COc1ccccc1C(=O)N1CCN([C@H](C(=O)NCC(C)C)C2CCCC2)CC1 ZINC000036251523 569119975 /nfs/dbraw/zinc/11/99/75/569119975.db2.gz SFTCEYXQUQYBBV-NRFANRHFSA-N 0 0 401.551 2.784 50 0 HFAARN CC(C)NC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926139 569122946 /nfs/dbraw/zinc/12/29/46/569122946.db2.gz MRWTUFVTIJFQCA-UHFFFAOYSA-N 0 0 405.502 2.685 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000064929808 569123911 /nfs/dbraw/zinc/12/39/11/569123911.db2.gz LROGEXSWVJZVNM-UHFFFAOYSA-N 0 0 416.522 2.625 50 0 HFAARN COCCNC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930496 569124305 /nfs/dbraw/zinc/12/43/05/569124305.db2.gz IBFJKNLMKFZAIO-CYBMUJFWSA-N 0 0 409.899 2.937 50 0 HFAARN 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CCN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000065235247 569202343 /nfs/dbraw/zinc/20/23/43/569202343.db2.gz VSYUGKOMDQTYGS-UHFFFAOYSA-N 0 0 411.433 2.757 50 0 biogenic HFAARN O=c1c2cc(-c3ccccc3)nn2ccn1Cc1noc(CN2CCCCCC2)n1 ZINC000065235946 569202454 /nfs/dbraw/zinc/20/24/54/569202454.db2.gz CCLVBDWZUBTZCX-UHFFFAOYSA-N 0 0 404.474 2.970 50 0 HFAARN C[C@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235927 569202592 /nfs/dbraw/zinc/20/25/92/569202592.db2.gz MVWSQIJDXMNQCD-INIZCTEOSA-N 0 0 404.474 2.969 50 0 HFAARN O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)NCc1cccc(Cl)c1 ZINC000065240296 569203722 /nfs/dbraw/zinc/20/37/22/569203722.db2.gz HHCOPNYBIYJPDG-UHFFFAOYSA-N 0 0 407.861 2.891 50 0 HFAARN CCc1nnc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)o2)o1 ZINC000065246268 569205527 /nfs/dbraw/zinc/20/55/27/569205527.db2.gz FBIBXIANVMOMDW-UHFFFAOYSA-N 0 0 402.476 2.711 50 0 HFAARN CCc1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)o1 ZINC000065246567 569205692 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CC(C)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCCO2 ZINC000007895184 569318917 /nfs/dbraw/zinc/31/89/17/569318917.db2.gz LHGIRWJXLCMQSJ-OAQYLSRUSA-N 0 0 408.454 2.957 50 0 HFAARN COc1ccc(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn32)cc1 ZINC000002233261 569320085 /nfs/dbraw/zinc/32/00/85/569320085.db2.gz PNTLWNBJYQLXIQ-UHFFFAOYSA-N 0 0 405.439 2.700 50 0 HFAARN O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000252694555 569320186 /nfs/dbraw/zinc/32/01/86/569320186.db2.gz MCOZDZJHNKOQRG-ZEVXLENSSA-N 0 0 410.514 2.670 50 0 HFAARN CCc1nnc(NC(=S)NC(=O)COc2ccc(Br)cc2)s1 ZINC000002240354 569323516 /nfs/dbraw/zinc/32/35/16/569323516.db2.gz PBLAAFCUTBOMRC-UHFFFAOYSA-N 0 0 401.311 2.755 50 0 HFAARN COc1ccc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc1OC ZINC000014945263 569357250 /nfs/dbraw/zinc/35/72/50/569357250.db2.gz OFNAHFMPUNUEAG-GDIPYMLUSA-N 0 0 418.449 2.878 50 0 HFAARN O=C(c1cc(Br)ccc1Cl)N1CCC(N2C(=O)COC2=O)CC1 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569388830 /nfs/dbraw/zinc/38/88/30/569388830.db2.gz ZUEQFIZLPIODDJ-KRWDZBQOSA-N 0 0 400.500 2.711 50 0 HFAARN NC(=O)COc1ccc(NC(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)cc1 ZINC000055178261 569392254 /nfs/dbraw/zinc/39/22/54/569392254.db2.gz JVJLDIQHACRSQA-MRXNPFEDSA-N 0 0 408.241 2.989 50 0 HFAARN Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027757526 569393257 /nfs/dbraw/zinc/39/32/57/569393257.db2.gz ANCIIWJJPMGMIC-VFNWGFHPSA-N 0 0 423.494 2.823 50 0 HFAARN CCc1ccc(/C=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1 ZINC000002399251 569394837 /nfs/dbraw/zinc/39/48/37/569394837.db2.gz OVJFKYJCVIIABT-ZDLGFXPLSA-N 0 0 423.494 2.954 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1N ZINC000002415175 569397237 /nfs/dbraw/zinc/39/72/37/569397237.db2.gz XRYMUQDIFRWVMZ-UHFFFAOYSA-N 0 0 404.883 2.755 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000011192221 569397864 /nfs/dbraw/zinc/39/78/64/569397864.db2.gz ILOJLADEJDDOIF-KPKJPENVSA-N 0 0 414.527 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O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccccc1 ZINC000013068797 569408515 /nfs/dbraw/zinc/40/85/15/569408515.db2.gz BFBOKCWVIZBSJT-UHFFFAOYSA-N 0 0 402.394 2.570 50 0 HFAARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002456865 569411573 /nfs/dbraw/zinc/41/15/73/569411573.db2.gz KEYKGOGVKNJRBP-UHFFFAOYSA-N 0 0 416.434 2.913 50 0 HFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CC4)o3)cc2)C1 ZINC000002456975 569412383 /nfs/dbraw/zinc/41/23/83/569412383.db2.gz GYQYSQMRCMENRB-STQMWFEESA-N 0 0 404.492 2.866 50 0 HFAARN COCC[C@@H]1COCCN1C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000328594225 569415712 /nfs/dbraw/zinc/41/57/12/569415712.db2.gz ZQCJBHZTQABWSU-LSDHHAIUSA-N 0 0 401.429 2.581 50 0 HFAARN Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000328594954 569415884 /nfs/dbraw/zinc/41/58/84/569415884.db2.gz GPZUNFDMGAAZIL-IRXDYDNUSA-N 0 0 408.424 2.933 50 0 HFAARN Cc1csc2nc(COC(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)cc(=O)n12 ZINC000019351519 569420081 /nfs/dbraw/zinc/42/00/81/569420081.db2.gz MWUIMMFVILEQHJ-SFHVURJKSA-N 0 0 413.499 2.871 50 0 HFAARN Cc1nc2ccc(C(=O)N3CCN(Cc4noc(C(C)(C)C)n4)CC3)cc2nc1C ZINC000078821126 569420710 /nfs/dbraw/zinc/42/07/10/569420710.db2.gz SGQSTFFBILCASH-UHFFFAOYSA-N 0 0 408.506 2.885 50 0 HFAARN CCn1c(=O)[nH]c2cc(C(=O)N3C[C@@H](c4cc(C)ccc4C)OC[C@H]3C)ccc2c1=O ZINC000078877701 569421290 /nfs/dbraw/zinc/42/12/90/569421290.db2.gz QCCJQHDMJZVMOF-IERDGZPVSA-N 0 0 421.497 2.929 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2cccn2C)n(C)c1 ZINC000078971464 569422642 /nfs/dbraw/zinc/42/26/42/569422642.db2.gz KILJSSYMJAOLQP-SFHVURJKSA-N 0 0 406.552 2.762 50 0 HFAARN COc1ccc2c(c1OC)C(=O)N1c3ccc(Cl)cc3-c3nc(=O)c(C)nn3[C@@H]21 ZINC000079000461 569423345 /nfs/dbraw/zinc/42/33/45/569423345.db2.gz AOTPCTAVYLUOKL-IBGZPJMESA-N 0 0 410.817 2.805 50 0 HFAARN CCN1C(=O)[C@@H]2CN(CC(=O)Nc3ccccc3Sc3ccccc3)CCN2C1=O ZINC000079024462 569424642 /nfs/dbraw/zinc/42/46/42/569424642.db2.gz GYUCBZCIYQPKRC-SFHVURJKSA-N 0 0 424.526 2.745 50 0 HFAARN Cc1nnc2n1CCC[C@H]2NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000079026437 569424847 /nfs/dbraw/zinc/42/48/47/569424847.db2.gz PRZIHGXEYTWETM-IIYDPXPESA-N 0 0 402.474 2.996 50 0 HFAARN C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000019600251 569424994 /nfs/dbraw/zinc/42/49/94/569424994.db2.gz GZRKLLJUUFTQFV-LBPRGKRZSA-N 0 0 411.321 2.907 50 0 HFAARN COCCCN(C(=O)[C@@H](C)n1cccn1)c1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000079061365 569426320 /nfs/dbraw/zinc/42/63/20/569426320.db2.gz AXZHKDIHPXHGAN-QZTJIDSGSA-N 0 0 424.505 2.910 50 0 HFAARN CCS(=O)(=O)c1ccc(Cl)cc1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000079069493 569426733 /nfs/dbraw/zinc/42/67/33/569426733.db2.gz RSSYHBDMHZRLIY-UHFFFAOYSA-N 0 0 404.879 2.644 50 0 HFAARN Cc1c([C@@H](C)NCc2cnn([C@H]3CCS(=O)(=O)C3)c2)cnn1-c1ccc(F)cc1 ZINC000079100176 569427490 /nfs/dbraw/zinc/42/74/90/569427490.db2.gz DEODPEVSOXHLTF-KUHUBIRLSA-N 0 0 417.510 2.727 50 0 HFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(C)c3)C2)cc1 ZINC000079112483 569428228 /nfs/dbraw/zinc/42/82/28/569428228.db2.gz ZGBDSJFSWWXREX-LJQANCHMSA-N 0 0 421.544 2.867 50 0 HFAARN O=C(COc1ccc2c(c1)nc1n(c2=O)CCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000079192051 569429268 /nfs/dbraw/zinc/42/92/68/569429268.db2.gz YALUDSIILSMQIY-UHFFFAOYSA-N 0 0 414.465 2.788 50 0 biogenic HFAARN COc1ccc(CCC(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)cc1OC ZINC000079464742 569431206 /nfs/dbraw/zinc/43/12/06/569431206.db2.gz PAPMILARCZUGAX-UHFFFAOYSA-N 0 0 413.449 2.610 50 0 HFAARN CCOC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)CC1 ZINC000079484539 569432045 /nfs/dbraw/zinc/43/20/45/569432045.db2.gz PIBGHPVHBHZXCN-UHFFFAOYSA-N 0 0 404.492 2.893 50 0 HFAARN CC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000079501486 569432912 /nfs/dbraw/zinc/43/29/12/569432912.db2.gz UTOQGHNYMFKOAC-KRWDZBQOSA-N 0 0 408.502 2.744 50 0 HFAARN CN(C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1 ZINC000028722390 571037756 /nfs/dbraw/zinc/03/77/56/571037756.db2.gz OUKBSDRWSWSMSU-UHFFFAOYSA-N 0 0 406.958 2.687 50 0 HFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C ZINC000010220063 571047409 /nfs/dbraw/zinc/04/74/09/571047409.db2.gz NLDIGKISHOBTCC-ZDUSSCGKSA-N 0 0 408.487 2.733 50 0 HFAARN COC(=O)c1cn(Cc2cc(F)cc(F)c2)nc1S(=O)(=O)N(C)c1ccccc1 ZINC000067245719 571053969 /nfs/dbraw/zinc/05/39/69/571053969.db2.gz PTOPYHKZIDPHFQ-UHFFFAOYSA-N 0 0 421.425 2.821 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cccc3Cl)c(=O)c2=O)cc1 ZINC000067256147 571056131 /nfs/dbraw/zinc/05/61/31/571056131.db2.gz IFDRMTJPQDQIBE-UHFFFAOYSA-N 0 0 413.861 2.998 50 0 HFAARN CCN1CCN(C(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)CC1 ZINC000067262336 571061721 /nfs/dbraw/zinc/06/17/21/571061721.db2.gz RRRWHOWZUWUWAY-UHFFFAOYSA-N 0 0 421.545 2.841 50 0 HFAARN Cc1cc2nc(SCC(=O)NCc3cccc(Br)c3)n(C)c(=O)c2[nH]1 ZINC000067299370 571073327 /nfs/dbraw/zinc/07/33/27/571073327.db2.gz OQNISJQAGRALMT-UHFFFAOYSA-N 0 0 421.320 2.741 50 0 HFAARN Cc1nc(-c2ccccc2)n(CC(=O)NCCCc2ccccc2)c(=O)c1CCO ZINC000067300299 571073722 /nfs/dbraw/zinc/07/37/22/571073722.db2.gz INVFCBWLJQJHJZ-UHFFFAOYSA-N 0 0 405.498 2.503 50 0 HFAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NC2CCCC2)c(=O)c1CCO ZINC000067301221 571074278 /nfs/dbraw/zinc/07/42/78/571074278.db2.gz OUPGTUVUONEVCG-UHFFFAOYSA-N 0 0 423.435 2.831 50 0 HFAARN O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(-n2cnnn2)cc1 ZINC000038739676 571075542 /nfs/dbraw/zinc/07/55/42/571075542.db2.gz IQVZCGFSGNRKBY-UHFFFAOYSA-N 0 0 411.472 2.614 50 0 HFAARN CCOc1ccccc1-n1ccn(CC(=O)N[C@@H](C)c2ccc(C)cc2)c(=O)c1=O ZINC000067319822 571076928 /nfs/dbraw/zinc/07/69/28/571076928.db2.gz YHXRBEHTNOWJRF-KRWDZBQOSA-N 0 0 407.470 2.584 50 0 HFAARN Cc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O ZINC000067320630 571077242 /nfs/dbraw/zinc/07/72/42/571077242.db2.gz FAHJVJLEAQQLEV-UHFFFAOYSA-N 0 0 414.259 2.709 50 0 HFAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnnn1C1CCCC1 ZINC000008544772 571077658 /nfs/dbraw/zinc/07/76/58/571077658.db2.gz ZMMITMMNISSNRQ-OAHLLOKOSA-N 0 0 403.508 2.569 50 0 HFAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000067322478 571078401 /nfs/dbraw/zinc/07/84/01/571078401.db2.gz HOUUOAHNHIGHMZ-UHFFFAOYSA-N 0 0 421.457 2.866 50 0 HFAARN CCOC(=O)Cc1cc(=O)n2nc(-c3ccc(I)cc3)cc2[nH]1 ZINC000008576537 571082312 /nfs/dbraw/zinc/08/23/12/571082312.db2.gz RRFSFBVZNAUYGS-UHFFFAOYSA-N 0 0 423.210 2.812 50 0 HFAARN CS(=O)(=O)N1CC[C@@H](C(=O)NCCc2ccccc2)Oc2ccc(Cl)cc21 ZINC000038832975 571085455 /nfs/dbraw/zinc/08/54/55/571085455.db2.gz OHZAGIJJZPGTTP-SFHVURJKSA-N 0 0 408.907 2.616 50 0 HFAARN COc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000038834216 571085627 /nfs/dbraw/zinc/08/56/27/571085627.db2.gz USNKBEXCQCCROY-QGZVFWFLSA-N 0 0 410.879 2.904 50 0 HFAARN COc1ccccc1CNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038848860 571086688 /nfs/dbraw/zinc/08/66/88/571086688.db2.gz ZMOFCPOSVSBZQL-GOSISDBHSA-N 0 0 424.906 2.582 50 0 HFAARN Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000008598862 571088833 /nfs/dbraw/zinc/08/88/33/571088833.db2.gz WXCBZVPAQODBHM-UHFFFAOYSA-N 0 0 415.515 2.885 50 0 HFAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)sc2[nH]cnc(=O)c12 ZINC000008600229 571089938 /nfs/dbraw/zinc/08/99/38/571089938.db2.gz OMEORMNRHKDURB-UHFFFAOYSA-N 0 0 414.462 2.923 50 0 HFAARN CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(N)=O)o1 ZINC000008602288 571090874 /nfs/dbraw/zinc/09/08/74/571090874.db2.gz JGDUBWRGJJNJAR-CQSZACIVSA-N 0 0 417.491 2.937 50 0 HFAARN COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cn2C)c1 ZINC000008610080 571093988 /nfs/dbraw/zinc/09/39/88/571093988.db2.gz XIDDHXRGXPESGJ-UHFFFAOYSA-N 0 0 405.520 2.528 50 0 HFAARN Cn1nc(-c2ccc(OCC(=O)NCc3cccnc3)cc2)c2ccccc2c1=O ZINC000008642931 571097702 /nfs/dbraw/zinc/09/77/02/571097702.db2.gz DXSCUSYXSQENMJ-UHFFFAOYSA-N 0 0 400.438 2.691 50 0 HFAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000008704171 571102947 /nfs/dbraw/zinc/10/29/47/571102947.db2.gz KQWUYKJRZASIDI-UHFFFAOYSA-N 0 0 424.526 2.636 50 0 HFAARN O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000008708752 571104449 /nfs/dbraw/zinc/10/44/49/571104449.db2.gz BSNAEOGDJUVKAY-UHFFFAOYSA-N 0 0 412.490 2.787 50 0 HFAARN Cc1cc(=O)c(C(=O)NCc2ccc(Cn3cccn3)cc2)nn1-c1ccccc1F ZINC000008724442 571107745 /nfs/dbraw/zinc/10/77/45/571107745.db2.gz HFFZVWHALNKTHW-UHFFFAOYSA-N 0 0 417.444 2.855 50 0 HFAARN CCCCCn1nc(C(=O)NCc2nnc3nc(C)cc(C)n23)c2ccccc2c1=O ZINC000008724682 571107753 /nfs/dbraw/zinc/10/77/53/571107753.db2.gz ANQJXNIJXKJMAM-UHFFFAOYSA-N 0 0 419.489 2.571 50 0 HFAARN COc1cccc(Nc2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)s2)c1 ZINC000008728622 571108868 /nfs/dbraw/zinc/10/88/68/571108868.db2.gz ONVKUNDCFRGWLL-VIFPVBQESA-N 0 0 404.525 2.977 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)sc1C ZINC000008749502 571111797 /nfs/dbraw/zinc/11/17/97/571111797.db2.gz XUEQVARUCCPFQE-UHFFFAOYSA-N 0 0 410.517 2.647 50 0 HFAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCSc3c[nH]nn3)CC2)cc1 ZINC000670474378 571112078 /nfs/dbraw/zinc/11/20/78/571112078.db2.gz SEKYGYLQUTVYFY-UHFFFAOYSA-N 0 0 415.563 2.863 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000008753819 571112652 /nfs/dbraw/zinc/11/26/52/571112652.db2.gz RVSRVYMYEQBOIA-KRWDZBQOSA-N 0 0 419.817 2.864 50 0 HFAARN CCNC(=O)N1c2ccccc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000008764429 571114706 /nfs/dbraw/zinc/11/47/06/571114706.db2.gz CINSMJVZGUPNTA-HSZRJFAPSA-N 0 0 402.454 2.892 50 0 biogenic HFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccccc12 ZINC000008764623 571115064 /nfs/dbraw/zinc/11/50/64/571115064.db2.gz JHRVWOCFJBWBEO-FQEVSTJZSA-N 0 0 404.470 2.932 50 0 biogenic HFAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869904 571130318 /nfs/dbraw/zinc/13/03/18/571130318.db2.gz SIUZWEOUKLGGSF-KXBFYZLASA-N 0 0 409.463 2.834 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H](C(C)C)n3nnc4ccccc4c3=O)c2c1 ZINC000008879386 571131202 /nfs/dbraw/zinc/13/12/02/571131202.db2.gz YDRNQVRUUPFOEQ-OAQYLSRUSA-N 0 0 419.485 2.837 50 0 biogenic HFAARN COc1cc2c(c3oc(=O)c(CCC(=O)N[C@@H](C)CO)c(C)c13)CCC(C)(C)O2 ZINC000008879219 571131210 /nfs/dbraw/zinc/13/12/10/571131210.db2.gz NKNCMHRBFCRKGP-LBPRGKRZSA-N 0 0 403.475 2.643 50 0 biogenic HFAARN Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1 ZINC000039383759 571131776 /nfs/dbraw/zinc/13/17/76/571131776.db2.gz TWBHVPZILCXZBI-UHFFFAOYSA-N 0 0 411.897 2.684 50 0 HFAARN COC(=O)[C@@H]1C[C@H](C(=O)NCc2cccc(C)n2)[C@H](c2cccc(F)c2F)N1C ZINC000039447074 571132032 /nfs/dbraw/zinc/13/20/32/571132032.db2.gz JBVFQKJGDNYEQP-IEZWGBDMSA-N 0 0 403.429 2.519 50 0 HFAARN COc1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000039640491 571133979 /nfs/dbraw/zinc/13/39/79/571133979.db2.gz ZYZZPIKOLXDMSF-UHFFFAOYSA-N 0 0 400.475 2.510 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C ZINC000039655341 571134042 /nfs/dbraw/zinc/13/40/42/571134042.db2.gz BCMFIZVNEJGBFJ-HXUWFJFHSA-N 0 0 424.453 2.881 50 0 HFAARN COC(=O)Cc1csc(NC(=O)CSc2n[nH]c(-c3ccccc3F)n2)n1 ZINC000039964479 571135103 /nfs/dbraw/zinc/13/51/03/571135103.db2.gz WAPQRMWREDAEPD-UHFFFAOYSA-N 0 0 407.452 2.514 50 0 HFAARN CC(=O)N[C@@H](C(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(C)C ZINC000039974812 571135393 /nfs/dbraw/zinc/13/53/93/571135393.db2.gz UQLHYZCHOJPYLA-DNVCBOLYSA-N 0 0 417.487 2.723 50 0 HFAARN CN1CCN(C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040012996 571138317 /nfs/dbraw/zinc/13/83/17/571138317.db2.gz HCKYPAXWOZPWRV-OALUTQOASA-N 0 0 400.910 2.955 50 0 HFAARN O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000008883424 571140816 /nfs/dbraw/zinc/14/08/16/571140816.db2.gz ZZPCESQEOZGFAS-UHFFFAOYSA-N 0 0 422.507 2.834 50 0 HFAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000040033891 571141092 /nfs/dbraw/zinc/14/10/92/571141092.db2.gz YDWJSUANCNFEBI-LJQANCHMSA-N 0 0 416.861 2.741 50 0 HFAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000040034395 571141348 /nfs/dbraw/zinc/14/13/48/571141348.db2.gz SWEZKUHKYYWNTE-UHFFFAOYSA-N 0 0 411.458 2.929 50 0 HFAARN CCOc1ccc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000040040544 571142557 /nfs/dbraw/zinc/14/25/57/571142557.db2.gz YTVDACMYDPGGQH-UHFFFAOYSA-N 0 0 405.502 2.683 50 0 HFAARN Cc1cc(NC(=O)c2csc(-c3ccccc3)n2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000040052032 571145510 /nfs/dbraw/zinc/14/55/10/571145510.db2.gz VCZUIFBTNDUFTH-CQSZACIVSA-N 0 0 402.501 2.927 50 0 HFAARN Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)cc1NS(C)(=O)=O ZINC000040059004 571146282 /nfs/dbraw/zinc/14/62/82/571146282.db2.gz WKZKEWVVLSMOGK-GOSISDBHSA-N 0 0 416.478 2.759 50 0 HFAARN O=C(CNc1cccc(-c2nnnn2C2CC2)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000040061344 571147233 /nfs/dbraw/zinc/14/72/33/571147233.db2.gz SUAWZMIKSZCWNA-UHFFFAOYSA-N 0 0 419.489 2.562 50 0 HFAARN Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)c(Br)c1 ZINC000040061790 571147392 /nfs/dbraw/zinc/14/73/92/571147392.db2.gz GIYOWLWKAOYKQV-UHFFFAOYSA-N 0 0 411.321 2.824 50 0 HFAARN 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/nfs/dbraw/zinc/07/18/30/522071830.db2.gz YMYWDMZSYBZHEN-AWEZNQCLSA-N 0 0 409.442 2.544 50 0 HFAARN CNS(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000008186058 522301273 /nfs/dbraw/zinc/30/12/73/522301273.db2.gz CMDOOBRNHPOIDM-UHFFFAOYSA-N 0 0 407.835 2.655 50 0 HFAARN CN(CC(=O)N[C@H]1CCSc2ccc(Cl)cc21)S(=O)(=O)c1cccnc1 ZINC000032921997 522496230 /nfs/dbraw/zinc/49/62/30/522496230.db2.gz BNVLOFPJCYSAKX-HNNXBMFYSA-N 0 0 411.936 2.709 50 0 HFAARN CN(CC(=O)Nc1cc(Cl)ccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000032947039 522501486 /nfs/dbraw/zinc/50/14/86/522501486.db2.gz QRQKYCFCLROYFP-UHFFFAOYSA-N 0 0 414.842 2.510 50 0 HFAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000032809607 522502298 /nfs/dbraw/zinc/50/22/98/522502298.db2.gz MZDDUNNICQISIH-UHFFFAOYSA-N 0 0 419.272 2.609 50 0 HFAARN COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCCc3ccccn3)cs2)c1 ZINC000040356083 522859728 /nfs/dbraw/zinc/85/97/28/522859728.db2.gz MPYCLVSIIWRMLS-UHFFFAOYSA-N 0 0 412.471 2.780 50 0 HFAARN COc1cc(OC)cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1 ZINC000040288305 522884405 /nfs/dbraw/zinc/88/44/05/522884405.db2.gz FUCMZEJGYUZDPM-OAHLLOKOSA-N 0 0 405.418 2.759 50 0 HFAARN COC(=O)CCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC000032278218 523006932 /nfs/dbraw/zinc/00/69/32/523006932.db2.gz ONEWITJTKAHCKV-INIZCTEOSA-N 0 0 410.536 2.583 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(c3ccc(Cl)nn3)C1)CC2 ZINC000042228335 523029392 /nfs/dbraw/zinc/02/93/92/523029392.db2.gz ZOPDEWISKXITAZ-HNNXBMFYSA-N 0 0 416.909 2.949 50 0 HFAARN COc1cc2ncn(CCC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2cc1OC ZINC000032123938 523069956 /nfs/dbraw/zinc/06/99/56/523069956.db2.gz OPIMDDMHXBAJMF-INIZCTEOSA-N 0 0 409.486 2.941 50 0 biogenic HFAARN CCn1c(C)cc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)c1C ZINC000032946554 523124635 /nfs/dbraw/zinc/12/46/35/523124635.db2.gz SYQXNROETJBCQJ-UHFFFAOYSA-N 0 0 406.533 2.634 50 0 HFAARN COC(=O)CN(C)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355800 523143724 /nfs/dbraw/zinc/14/37/24/523143724.db2.gz GRTZNFQCHIAHHO-UHFFFAOYSA-N 0 0 402.259 2.947 50 0 HFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000020560487 523168966 /nfs/dbraw/zinc/16/89/66/523168966.db2.gz YAOQBQIOJTVHRU-UHFFFAOYSA-N 0 0 420.512 2.716 50 0 HFAARN COc1ccc(-c2n[nH]cc2CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(F)c1 ZINC000020599508 523182078 /nfs/dbraw/zinc/18/20/78/523182078.db2.gz VXCSWMPMRBAYOJ-KRWDZBQOSA-N 0 0 409.465 2.900 50 0 HFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000019799688 523193970 /nfs/dbraw/zinc/19/39/70/523193970.db2.gz VZEPPTAEGDPNTN-UHFFFAOYSA-N 0 0 413.906 2.654 50 0 HFAARN COC(=O)CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC000032907896 523200748 /nfs/dbraw/zinc/20/07/48/523200748.db2.gz AHXCWGKVEIKIQJ-AVRDEDQJSA-N 0 0 410.470 2.777 50 0 HFAARN COC(=O)C[C@@H](NC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccc(C)cc1 ZINC000032821102 523275912 /nfs/dbraw/zinc/27/59/12/523275912.db2.gz SVRKBOLLUDSKSM-LJQANCHMSA-N 0 0 405.454 2.884 50 0 HFAARN COCCCNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565242 523330844 /nfs/dbraw/zinc/33/08/44/523330844.db2.gz RVDCRNHTNZJQLA-UHFFFAOYSA-N 0 0 400.504 2.921 50 0 HFAARN COC(=O)C[C@H](NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(C)cc1 ZINC000040009926 523333284 /nfs/dbraw/zinc/33/32/84/523333284.db2.gz GTOSJVAFEGDASV-HOCLYGCPSA-N 0 0 419.503 2.772 50 0 HFAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1nc(-c2ccccn2)no1 ZINC000032820818 523521415 /nfs/dbraw/zinc/52/14/15/523521415.db2.gz CWOFSECFYWWRFT-UHFFFAOYSA-N 0 0 402.458 2.968 50 0 HFAARN COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)N(C)C ZINC000032744770 523617075 /nfs/dbraw/zinc/61/70/75/523617075.db2.gz BCEPPHNWJSJGBE-UHFFFAOYSA-N 0 0 406.479 2.889 50 0 HFAARN COc1ccc(C(=O)N2CCN([C@@H](C)c3nc(Cc4ccccc4)no3)CC2)cn1 ZINC000032830503 523649158 /nfs/dbraw/zinc/64/91/58/523649158.db2.gz BJQAFNPQAUQMSR-INIZCTEOSA-N 0 0 407.474 2.583 50 0 HFAARN COC(=O)[C@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC(F)(F)F ZINC000031811423 523882114 /nfs/dbraw/zinc/88/21/14/523882114.db2.gz IPAVPKRJBGQTJI-BONVTDFDSA-N 0 0 412.368 2.527 50 0 HFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000032124488 523908558 /nfs/dbraw/zinc/90/85/58/523908558.db2.gz VOHDYHGAMIMRFR-QRWLVFNGSA-N 0 0 423.444 2.560 50 0 biogenic HFAARN CCc1ccc(N(CC)C(=O)Cn2c3ccccc3c(=O)n(CCCOC)c2=O)cc1 ZINC000044841088 523960546 /nfs/dbraw/zinc/96/05/46/523960546.db2.gz PTIHPZUBYZXOCW-UHFFFAOYSA-N 0 0 423.513 2.815 50 0 HFAARN CC[C@H](C)NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1 ZINC000045925143 523975990 /nfs/dbraw/zinc/97/59/90/523975990.db2.gz RWPAQNSDXSGEDN-QMMMGPOBSA-N 0 0 420.969 2.613 50 0 HFAARN COc1ccc(CNC(=O)CCn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1 ZINC000032933610 524048981 /nfs/dbraw/zinc/04/89/81/524048981.db2.gz NSWYMNMNOBSDRZ-UHFFFAOYSA-N 0 0 422.416 2.906 50 0 HFAARN COc1ccc(CNC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1OC ZINC000077099774 524059213 /nfs/dbraw/zinc/05/92/13/524059213.db2.gz LSBZKSONURZULR-UHFFFAOYSA-N 0 0 401.463 2.648 50 0 HFAARN COc1ccc(CNC(=S)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 ZINC000032639079 524068451 /nfs/dbraw/zinc/06/84/51/524068451.db2.gz VCZJEJSCLSKWFT-OAQYLSRUSA-N 0 0 415.559 2.741 50 0 HFAARN C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000041781342 524093547 /nfs/dbraw/zinc/09/35/47/524093547.db2.gz ZPVDYPMDEFMOOZ-HIFRSBDPSA-N 0 0 400.928 2.812 50 0 HFAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)C1 ZINC000245228262 524101314 /nfs/dbraw/zinc/10/13/14/524101314.db2.gz MEQQPYWFGLKNHG-DZGCQCFKSA-N 0 0 400.928 2.669 50 0 HFAARN C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000040149002 524125843 /nfs/dbraw/zinc/12/58/43/524125843.db2.gz ONDKDPUWSQILGW-AWEZNQCLSA-N 0 0 410.898 2.990 50 0 HFAARN Cc1cccc(-n2ncc3c2NC(=O)C[C@]32c3ccccc3N(CC(N)=O)C2=O)c1C ZINC000032073397 524148903 /nfs/dbraw/zinc/14/89/03/524148903.db2.gz KVYIJULDBSFYDB-QHCPKHFHSA-N 0 0 415.453 2.599 50 0 HFAARN C[C@@H](C(=O)Nc1ccccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000032860136 524279287 /nfs/dbraw/zinc/27/92/87/524279287.db2.gz RPPLEUSYIVPCRG-GJZGRUSLSA-N 0 0 412.465 2.848 50 0 HFAARN Cc1cc(C)cc(-c2nnc(SCCC(=O)N3CCN(c4ncccn4)CC3)o2)c1 ZINC000032777192 524354359 /nfs/dbraw/zinc/35/43/59/524354359.db2.gz RHCVTQBOZVMJRE-UHFFFAOYSA-N 0 0 424.530 2.974 50 0 HFAARN Cc1ccc(CNC(=O)CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC000035537103 524503950 /nfs/dbraw/zinc/50/39/50/524503950.db2.gz LOXPLXTWDJLYKE-UHFFFAOYSA-N 0 0 414.893 2.641 50 0 HFAARN COc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 ZINC000000948504 524556411 /nfs/dbraw/zinc/55/64/11/524556411.db2.gz YBEVARNSCIXTOZ-IIBYNOLFSA-N 0 0 406.548 2.542 50 0 HFAARN Cc1ccc(CNC(=O)c2nc(Cn3nc(-c4ccccc4)ccc3=O)no2)cc1 ZINC000040455153 524568017 /nfs/dbraw/zinc/56/80/17/524568017.db2.gz QWQCRHXPUBVJGS-UHFFFAOYSA-N 0 0 401.426 2.580 50 0 HFAARN COc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cn1 ZINC000032059960 524624379 /nfs/dbraw/zinc/62/43/79/524624379.db2.gz HSLUUBJIUCFCEX-UHFFFAOYSA-N 0 0 411.462 2.520 50 0 HFAARN C[C@@H]1CN(C(=O)C2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)C[C@@H](C)O1 ZINC000032926844 524761749 /nfs/dbraw/zinc/76/17/49/524761749.db2.gz ZGHFKNPPGHANJO-HZPDHXFCSA-N 0 0 415.563 2.913 50 0 HFAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(C)cc2Cl)c3=O)cc1 ZINC000040478026 524780144 /nfs/dbraw/zinc/78/01/44/524780144.db2.gz GFNRIZYUTWMFCO-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN COc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000019901847 524932283 /nfs/dbraw/zinc/93/22/83/524932283.db2.gz RGQRUVNBIIWOFE-HXUWFJFHSA-N 0 0 404.894 2.917 50 0 HFAARN Cc1cccc2nc(CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)cn21 ZINC000032778954 524989291 /nfs/dbraw/zinc/98/92/91/524989291.db2.gz FTNYFJODOYCOKD-KRWDZBQOSA-N 0 0 414.535 2.542 50 0 HFAARN Cc1cc(N2CCN(CCO)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000020547510 525079395 /nfs/dbraw/zinc/07/93/95/525079395.db2.gz RJODNVIWCVBCGL-UHFFFAOYSA-N 0 0 405.424 2.838 50 0 HFAARN COc1ccc(S(=O)(=O)Oc2cc(C)ccc2C(N)=O)cc1Br ZINC000032869625 525091804 /nfs/dbraw/zinc/09/18/04/525091804.db2.gz GSPAYJFJBXOFEX-UHFFFAOYSA-N 0 0 400.250 2.633 50 0 HFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1Cl ZINC000040477185 525106089 /nfs/dbraw/zinc/10/60/89/525106089.db2.gz GCBXELVZUBMXJQ-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000044839846 525125887 /nfs/dbraw/zinc/12/58/87/525125887.db2.gz QJWDUMQRKAJBGZ-MRXNPFEDSA-N 0 0 400.504 2.994 50 0 HFAARN Cc1ccccc1CN1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000032914582 525140227 /nfs/dbraw/zinc/14/02/27/525140227.db2.gz IUVNTLHKZBZUAO-UHFFFAOYSA-N 0 0 400.544 2.888 50 0 HFAARN COc1ccc([C@@H](NC(=O)NCc2ccc3c(c2)OCCO3)c2nccn2C)cc1 ZINC000032802571 525197219 /nfs/dbraw/zinc/19/72/19/525197219.db2.gz SMSSISWIANEHHV-HXUWFJFHSA-N 0 0 408.458 2.789 50 0 HFAARN Cc1ccccc1Cn1nnc2c1ncn(CC(=O)Nc1cccc(Cl)c1C)c2=O ZINC000040477214 525213213 /nfs/dbraw/zinc/21/32/13/525213213.db2.gz HOEJFJZTOSAAAY-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN 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558258426 /nfs/dbraw/zinc/25/84/26/558258426.db2.gz QZURKIOOMFTDLM-UHFFFAOYSA-N 0 0 422.573 2.793 50 0 HFAARN CN(CCc1ccccn1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000011663020 558266693 /nfs/dbraw/zinc/26/66/93/558266693.db2.gz XYKDXSQXLNQNRX-UHFFFAOYSA-N 0 0 404.430 2.544 50 0 HFAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000019771880 558280297 /nfs/dbraw/zinc/28/02/97/558280297.db2.gz LBUQIEDFHDJSHV-UHFFFAOYSA-N 0 0 404.532 2.991 50 0 HFAARN Cc1ccccc1C(=O)Nc1c(C(=O)N2CCN(C)CC2)cnn1-c1ccccc1 ZINC000019791102 558282742 /nfs/dbraw/zinc/28/27/42/558282742.db2.gz SUZUQLICOLNVBH-UHFFFAOYSA-N 0 0 403.486 2.821 50 0 HFAARN CCN1CCN(CC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000019794854 558284038 /nfs/dbraw/zinc/28/40/38/558284038.db2.gz LOXSGRKDXXAGQV-KRWDZBQOSA-N 0 0 411.468 2.764 50 0 HFAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 ZINC000011839005 558285585 /nfs/dbraw/zinc/28/55/85/558285585.db2.gz RPQZUTVTFAYBDP-IERDGZPVSA-N 0 0 400.500 2.676 50 0 HFAARN 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558289943 /nfs/dbraw/zinc/28/99/43/558289943.db2.gz KGCWMWKDCHBBCH-UHFFFAOYSA-N 0 0 410.517 2.597 50 0 HFAARN O=C(CS(=O)(=O)c1ccc(Br)cc1)Nc1cccc2nsnc21 ZINC000019823021 558290801 /nfs/dbraw/zinc/29/08/01/558290801.db2.gz QXFUDEILZHHQPO-UHFFFAOYSA-N 0 0 412.290 2.866 50 0 HFAARN COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1 ZINC000019835078 558292534 /nfs/dbraw/zinc/29/25/34/558292534.db2.gz RUOXZWZJXAWYGJ-UHFFFAOYSA-N 0 0 412.490 2.791 50 0 HFAARN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000019837283 558292987 /nfs/dbraw/zinc/29/29/87/558292987.db2.gz YDZBKRUMHRVZPW-UHFFFAOYSA-N 0 0 417.300 2.991 50 0 HFAARN CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019848934 558295149 /nfs/dbraw/zinc/29/51/49/558295149.db2.gz MUQQAMPVUMLYOY-UHFFFAOYSA-N 0 0 406.529 2.644 50 0 HFAARN O=C(CSc1nnc(-c2ccc(Br)cc2)n1C1CC1)Nc1nc[nH]n1 ZINC000019851208 558295607 /nfs/dbraw/zinc/29/56/07/558295607.db2.gz PIJXBGKNVVBPHU-UHFFFAOYSA-N 0 0 420.296 2.891 50 0 HFAARN Cn1ccnc1CN1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000019853388 558296132 /nfs/dbraw/zinc/29/61/32/558296132.db2.gz OFIFJTUYYKEXIM-UHFFFAOYSA-N 0 0 420.439 2.731 50 0 HFAARN O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860261 558297593 /nfs/dbraw/zinc/29/75/93/558297593.db2.gz NIQLZDAOGAQLRJ-QGZVFWFLSA-N 0 0 407.923 2.593 50 0 HFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019862641 558298270 /nfs/dbraw/zinc/29/82/70/558298270.db2.gz RXHFUGSDWZBTFY-LJQANCHMSA-N 0 0 404.507 2.992 50 0 HFAARN CSc1ccc([C@@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1 ZINC000019879798 558300488 /nfs/dbraw/zinc/30/04/88/558300488.db2.gz ALWCFPFPGQEKJQ-SFTDATJTSA-N 0 0 416.543 2.959 50 0 HFAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000019890233 558302965 /nfs/dbraw/zinc/30/29/65/558302965.db2.gz CSRSRGXHZNRMCC-FQEVSTJZSA-N 0 0 407.470 2.770 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccccc3Cl)CC2)cc1 ZINC000019891028 558303198 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Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)nn1C ZINC000055211211 558876000 /nfs/dbraw/zinc/87/60/00/558876000.db2.gz PTDFIGQXVKTLBG-IBGZPJMESA-N 0 0 401.942 2.809 50 0 HFAARN CS(=O)(=O)N1CCC(NC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000055309033 558878882 /nfs/dbraw/zinc/87/88/82/558878882.db2.gz JUGKABYKSYKFNV-FQEVSTJZSA-N 0 0 404.507 2.888 50 0 HFAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000033122482 558879153 /nfs/dbraw/zinc/87/91/53/558879153.db2.gz VBSPULUXUBUKGV-UHFFFAOYSA-N 0 0 401.532 2.690 50 0 HFAARN Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019372222 558879560 /nfs/dbraw/zinc/87/95/60/558879560.db2.gz LDCRRQYCOINPMB-UHFFFAOYSA-N 0 0 406.486 2.961 50 0 HFAARN COCCCn1c(CN(C)[C@H](C)c2ccncn2)cnc1S(=O)(=O)C1CCCC1 ZINC000055358559 558880002 /nfs/dbraw/zinc/88/00/02/558880002.db2.gz ANFAWXFIEXZOKH-MRXNPFEDSA-N 0 0 421.567 2.619 50 0 HFAARN CC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1ccccc1OC ZINC000033124690 558880456 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412.361 2.939 50 0 HFAARN COc1cc(CNC(=O)c2cc3c(cc2O)OCO3)ccc1OC[C@@H]1CCCO1 ZINC000048252821 568434363 /nfs/dbraw/zinc/43/43/63/568434363.db2.gz PEGQTEYHGLJKLC-AWEZNQCLSA-N 0 0 401.415 2.617 50 0 HFAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)Cc3ccco3)cc21 ZINC000048289575 568434936 /nfs/dbraw/zinc/43/49/36/568434936.db2.gz KZOAUVOIGQVZER-UHFFFAOYSA-N 0 0 413.293 2.772 50 0 HFAARN O=C(Nc1cccc(CN2CCOC2=O)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048275677 568435478 /nfs/dbraw/zinc/43/54/78/568435478.db2.gz TYFQLNMQAYSNGL-KRWDZBQOSA-N 0 0 400.479 2.505 50 0 HFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1nc(N2CCCC2)ncc1Cl ZINC000048277069 568435622 /nfs/dbraw/zinc/43/56/22/568435622.db2.gz NLSUDANRJKNMSO-UHFFFAOYSA-N 0 0 421.910 2.522 50 0 HFAARN CCN([C@@H](C)COC)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000048286658 568436132 /nfs/dbraw/zinc/43/61/32/568436132.db2.gz NCYGSJGTTFYPQO-NSHDSACASA-N 0 0 420.318 2.585 50 0 HFAARN O=C(Cc1csc(Cc2ccccn2)n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000048314391 568437922 /nfs/dbraw/zinc/43/79/22/568437922.db2.gz DXQCMEZQFQXRMF-OAQYLSRUSA-N 0 0 422.554 2.689 50 0 HFAARN Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000048323968 568438134 /nfs/dbraw/zinc/43/81/34/568438134.db2.gz AMFMJWXIWSPVOQ-CYBMUJFWSA-N 0 0 410.565 2.597 50 0 HFAARN CC(C)C[C@H](CNC(=O)Nc1cccc(CN2CCCC2=O)c1)N1CCOCC1 ZINC000048332260 568439999 /nfs/dbraw/zinc/43/99/99/568439999.db2.gz KKOFXUISPPOIGO-HXUWFJFHSA-N 0 0 402.539 2.677 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000048332516 568440158 /nfs/dbraw/zinc/44/01/58/568440158.db2.gz OAOWDJQEHAFWRI-DYESRHJHSA-N 0 0 408.564 2.791 50 0 HFAARN C[C@H]1CN(Cc2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000048361309 568441266 /nfs/dbraw/zinc/44/12/66/568441266.db2.gz XYQSEWOBJICULW-ROUUACIJSA-N 0 0 413.562 2.561 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCc2nc(C(C)C)no2)C(C)C)cc1 ZINC000048362600 568441657 /nfs/dbraw/zinc/44/16/57/568441657.db2.gz YERGHJIGPMCTQU-SFHVURJKSA-N 0 0 422.551 2.553 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1 ZINC000085808615 568442197 /nfs/dbraw/zinc/44/21/97/568442197.db2.gz AMCNMMQSLXXDTR-UHFFFAOYSA-N 0 0 415.475 2.516 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 ZINC000049001632 568443872 /nfs/dbraw/zinc/44/38/72/568443872.db2.gz QQQLANSMVIZSBY-UHFFFAOYSA-N 0 0 419.466 2.884 50 0 HFAARN O=c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1Cc1cc(=O)n2ccccc2n1 ZINC000049007436 568444983 /nfs/dbraw/zinc/44/49/83/568444983.db2.gz OQMREOLPGVFHFH-UHFFFAOYSA-N 0 0 415.384 2.761 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1 ZINC000049008588 568445199 /nfs/dbraw/zinc/44/51/99/568445199.db2.gz YOWRWXMOZYPUBR-UHFFFAOYSA-N 0 0 405.414 2.639 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1 ZINC000049008604 568445219 /nfs/dbraw/zinc/44/52/19/568445219.db2.gz IEDQSNOXWPQWPH-UHFFFAOYSA-N 0 0 417.425 2.833 50 0 HFAARN COc1cccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1 ZINC000049008764 568445350 /nfs/dbraw/zinc/44/53/50/568445350.db2.gz RWRNEAKPLRZJBR-UHFFFAOYSA-N 0 0 407.455 2.690 50 0 HFAARN CC(C)c1ccc(N2CCN(CC(=O)N3CCN(Cc4cccnc4)CC3)C2=O)cc1 ZINC000049026392 568445532 /nfs/dbraw/zinc/44/55/32/568445532.db2.gz GTAYCCDCMXALJE-UHFFFAOYSA-N 0 0 421.545 2.791 50 0 HFAARN CCSc1nnc(NC(=O)CSc2nnc(NC(=O)NC3CC3)s2)s1 ZINC000049362180 568447137 /nfs/dbraw/zinc/44/71/37/568447137.db2.gz VGJMEVZOOFQPFX-UHFFFAOYSA-N 0 0 417.567 2.516 50 0 HFAARN CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccccc3C)ncn2)CC1 ZINC000049402031 568447949 /nfs/dbraw/zinc/44/79/49/568447949.db2.gz BATWVNYAILXLBD-UHFFFAOYSA-N 0 0 413.547 2.868 50 0 HFAARN CCOc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(C)cc3)NC2=O)cc1 ZINC000049402911 568448185 /nfs/dbraw/zinc/44/81/85/568448185.db2.gz XZYWQCLBBQMEIF-OAQYLSRUSA-N 0 0 421.453 2.910 50 0 HFAARN O=C(NC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1)c1cccc(Cl)c1 ZINC000049405818 568448812 /nfs/dbraw/zinc/44/88/12/568448812.db2.gz CZZWSENBMFTONE-UHFFFAOYSA-N 0 0 409.877 2.955 50 0 HFAARN CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(Cl)cc3)c2=O)CC1 ZINC000049409140 568449549 /nfs/dbraw/zinc/44/95/49/568449549.db2.gz WIYJKROTRDWBAL-UHFFFAOYSA-N 0 0 423.922 2.561 50 0 HFAARN CCc1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c1 ZINC000049409208 568449570 /nfs/dbraw/zinc/44/95/70/568449570.db2.gz VGQDVELMMDGMPZ-UHFFFAOYSA-N 0 0 417.531 2.614 50 0 HFAARN COc1ccc(CNC(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)cc1 ZINC000049411264 568450033 /nfs/dbraw/zinc/45/00/33/568450033.db2.gz PTQAXUOGPPSCJB-UHFFFAOYSA-N 0 0 406.490 2.837 50 0 HFAARN O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCN(c2ccccc2)CC1 ZINC000049411175 568450053 /nfs/dbraw/zinc/45/00/53/568450053.db2.gz VSSVLJVPZQURRZ-UHFFFAOYSA-N 0 0 417.517 2.615 50 0 HFAARN Cc1ccc(N2CN(CC(=O)N3CCCC[C@H]3C)S(=O)(=O)c3cccnc32)cc1 ZINC000049411429 568450173 /nfs/dbraw/zinc/45/01/73/568450173.db2.gz DHMUGVOREKAQCQ-QGZVFWFLSA-N 0 0 414.531 2.891 50 0 HFAARN COc1ccc(/C=C\C(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1OC ZINC000049422536 568450765 /nfs/dbraw/zinc/45/07/65/568450765.db2.gz ZFLBCDWFTYQJJZ-LUAWRHEFSA-N 0 0 420.513 2.948 50 0 HFAARN Cc1ccc2nc3c(cc2c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1C[C@@H](C)CCN31 ZINC000049749960 568453405 /nfs/dbraw/zinc/45/34/05/568453405.db2.gz XVKSHBHCEWMUKG-KBXCAEBGSA-N 0 0 406.486 2.741 50 0 HFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C(C)C)c(C)c1C ZINC000012232002 568454075 /nfs/dbraw/zinc/45/40/75/568454075.db2.gz WMPGMPVMLMNHHK-UHFFFAOYSA-N 0 0 424.480 2.776 50 0 HFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccccn1 ZINC000012233199 568454378 /nfs/dbraw/zinc/45/43/78/568454378.db2.gz KSYBNJCGKIHZBE-AWEZNQCLSA-N 0 0 404.455 2.653 50 0 HFAARN COc1ccc(-c2noc(CCC(=O)OCCCn3c(=O)[nH]c4ccccc43)n2)cc1 ZINC000012263817 568456927 /nfs/dbraw/zinc/45/69/27/568456927.db2.gz OSCPICQXRQNWOR-UHFFFAOYSA-N 0 0 422.441 2.954 50 0 HFAARN CCCn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O ZINC000000647529 568457269 /nfs/dbraw/zinc/45/72/69/568457269.db2.gz YKWRLNUWJAQBGJ-UHFFFAOYSA-N 0 0 411.687 2.771 50 0 HFAARN CCCc1c(C)c2c(OCC(=O)OCC)cc(OCC(=O)OCC)cc2oc1=O ZINC000000666293 568460622 /nfs/dbraw/zinc/46/06/22/568460622.db2.gz OREWUYGISCRXIO-UHFFFAOYSA-N 0 0 406.431 2.938 50 0 HFAARN CCOc1ccccc1-c1noc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)n1 ZINC000024752004 568461356 /nfs/dbraw/zinc/46/13/56/568461356.db2.gz QAJQLFZZLUYRCY-ZDUSSCGKSA-N 0 0 414.487 2.734 50 0 HFAARN C[C@@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000006893457 568463339 /nfs/dbraw/zinc/46/33/39/568463339.db2.gz XWVYLPRRSZHXJA-CYBMUJFWSA-N 0 0 416.524 2.872 50 0 HFAARN COC(=O)c1sc(NC(=O)[C@@H](OC(C)=O)c2ccccc2)c(C(=O)OC)c1C ZINC000000706877 568463494 /nfs/dbraw/zinc/46/34/94/568463494.db2.gz FGEFPHLPPONSRV-AWEZNQCLSA-N 0 0 405.428 2.873 50 0 HFAARN CC(=O)Nc1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000012324953 568471614 /nfs/dbraw/zinc/47/16/14/568471614.db2.gz ASCAJYHKFIYHOE-UHFFFAOYSA-N 0 0 406.417 2.792 50 0 HFAARN COc1ccc2c(cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2C)c1 ZINC000012324643 568471746 /nfs/dbraw/zinc/47/17/46/568471746.db2.gz QEMGSLHNJXPHON-ZDUSSCGKSA-N 0 0 409.442 2.715 50 0 HFAARN COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328562 568472125 /nfs/dbraw/zinc/47/21/25/568472125.db2.gz OADXKXBTMIMOJY-QGZVFWFLSA-N 0 0 409.486 2.787 50 0 HFAARN COc1ccc(-c2noc(CN3CCC(C(=O)N4CCCC4)CC3)n2)cc1OC ZINC000012332765 568473105 /nfs/dbraw/zinc/47/31/05/568473105.db2.gz FAHRNQCBPRAMTR-UHFFFAOYSA-N 0 0 400.479 2.588 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1 ZINC000000790630 568478993 /nfs/dbraw/zinc/47/89/93/568478993.db2.gz QFNGSSPVKXWOFB-UHFFFAOYSA-N 0 0 402.428 2.681 50 0 biogenic HFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1F ZINC000007626879 568482826 /nfs/dbraw/zinc/48/28/26/568482826.db2.gz CGBBIKCPFICUJZ-UHFFFAOYSA-N 0 0 412.870 2.634 50 0 HFAARN COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000000800582 568483918 /nfs/dbraw/zinc/48/39/18/568483918.db2.gz KCHKXGFPEQNYLQ-UHFFFAOYSA-N 0 0 420.487 2.506 50 0 HFAARN Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000014962167 568487184 /nfs/dbraw/zinc/48/71/84/568487184.db2.gz DOVNUVBDYQKQNI-AWEZNQCLSA-N 0 0 413.590 2.581 50 0 HFAARN O=C([C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008095462 568490548 /nfs/dbraw/zinc/49/05/48/568490548.db2.gz GTCTWQIHUAOBTC-JZXOWHBKSA-N 0 0 401.532 2.639 50 0 HFAARN O=C([C@H]1Cc2ccccc2CO1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390830423 568494889 /nfs/dbraw/zinc/49/48/89/568494889.db2.gz LAIZCVHBTYUWQI-WOJBJXKFSA-N 0 0 403.475 2.655 50 0 HFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)CC)[C@@H](c3ccco3)C2)cc1 ZINC000000812524 568495132 /nfs/dbraw/zinc/49/51/32/568495132.db2.gz GJJJSIRJVNMNJG-MRXNPFEDSA-N 0 0 411.505 2.542 50 0 HFAARN COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000031535127 568504190 /nfs/dbraw/zinc/50/41/90/568504190.db2.gz ZEHYYOHHBMQLOJ-UHFFFAOYSA-N 0 0 408.907 2.633 50 0 HFAARN C[C@H](NC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC000221892015 568511869 /nfs/dbraw/zinc/51/18/69/568511869.db2.gz SQZAUBZSEFMMCS-MPGHIAIKSA-N 0 0 409.502 2.617 50 0 HFAARN COc1ccc(COC2CN(S(=O)(=O)c3cc(C)ccc3NC(C)=O)C2)cc1F ZINC000033267674 568512370 /nfs/dbraw/zinc/51/23/70/568512370.db2.gz QPAXKSBWTVZXHE-UHFFFAOYSA-N 0 0 422.478 2.691 50 0 HFAARN Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)NCCc3ccccc3)n2)cc1 ZINC000033268422 568512388 /nfs/dbraw/zinc/51/23/88/568512388.db2.gz NKZARFGPEZZDAJ-UHFFFAOYSA-N 0 0 413.499 2.643 50 0 HFAARN COc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4cccc(F)c4)o3)CC2=O)cc1 ZINC000033290718 568512993 /nfs/dbraw/zinc/51/29/93/568512993.db2.gz NNWGYNLYERYMNW-CQSZACIVSA-N 0 0 410.405 2.919 50 0 HFAARN CC(C)C[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn21 ZINC000223243407 568542450 /nfs/dbraw/zinc/54/24/50/568542450.db2.gz JJGCDDXYHRSCIU-MRXNPFEDSA-N 0 0 422.514 2.918 50 0 HFAARN CCc1ccc(N2C(=O)N(Cc3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000020132663 568589707 /nfs/dbraw/zinc/58/97/07/568589707.db2.gz NVODEDMSMXSMQJ-UXHICEINSA-N 0 0 400.500 2.865 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)N3CC(N4CCc5sccc5C4)C3)CC2=O)cc1C ZINC000390827525 568591440 /nfs/dbraw/zinc/59/14/40/568591440.db2.gz HHBCDCRPAIYMGC-GOSISDBHSA-N 0 0 409.555 2.987 50 0 HFAARN CS(=O)(=O)Nc1cccc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)c1 ZINC000390829198 568591775 /nfs/dbraw/zinc/59/17/75/568591775.db2.gz XCNUOBMYVZIKAB-UHFFFAOYSA-N 0 0 423.498 2.590 50 0 HFAARN O=C(CSCc1ccccc1)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390832402 568592614 /nfs/dbraw/zinc/59/26/14/568592614.db2.gz ZGYGKUGUWDKOFA-UHFFFAOYSA-N 0 0 410.499 2.594 50 0 HFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccn1)N(CCCN1CCOCC1)C3=O ZINC000020308110 568598142 /nfs/dbraw/zinc/59/81/42/568598142.db2.gz LNOGDENLEVDULI-OAQYLSRUSA-N 0 0 419.481 2.764 50 0 HFAARN COc1ccc(C2=NO[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1OC ZINC000020328219 568599153 /nfs/dbraw/zinc/59/91/53/568599153.db2.gz ZASVYYBZGUJEGQ-QFIPXVFZSA-N 0 0 409.486 2.541 50 0 HFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000095393802 568604417 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CPCWRTZPEGRMNZ-UHFFFAOYSA-N 0 0 406.486 2.726 50 0 HFAARN CCN(CC)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)n(C)c(=O)c(=O)n2C ZINC000064526243 569065822 /nfs/dbraw/zinc/06/58/22/569065822.db2.gz VKPJEWHFHHTLKD-UHFFFAOYSA-N 0 0 414.893 2.989 50 0 HFAARN Cc1ccc(CC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000064526300 569065858 /nfs/dbraw/zinc/06/58/58/569065858.db2.gz CZDFVXNKQKCOKY-UHFFFAOYSA-N 0 0 420.513 2.717 50 0 HFAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)c2cccc(Br)c2)CC3)n1 ZINC000064566065 569067144 /nfs/dbraw/zinc/06/71/44/569067144.db2.gz GPFLKRLUUHYAJA-UHFFFAOYSA-N 0 0 402.252 2.740 50 0 HFAARN COc1ccc([C@H](C)NC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)cc1 ZINC000064567298 569067331 /nfs/dbraw/zinc/06/73/31/569067331.db2.gz QNDZQLMUQXTZHJ-LBPRGKRZSA-N 0 0 411.487 2.609 50 0 HFAARN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C1=O ZINC000006589007 569068173 /nfs/dbraw/zinc/06/81/73/569068173.db2.gz QXZBCXJRPRLEDX-HXUWFJFHSA-N 0 0 409.471 2.966 50 0 HFAARN COc1ccc(OC)c(C(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c1 ZINC000006590854 569068718 /nfs/dbraw/zinc/06/87/18/569068718.db2.gz KLYKXSUXQQGKHF-UHFFFAOYSA-N 0 0 414.458 2.951 50 0 HFAARN COCC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(F)cc1 ZINC000035962321 569068880 /nfs/dbraw/zinc/06/88/80/569068880.db2.gz WCMRXEYDKSQRBL-HXUWFJFHSA-N 0 0 413.449 2.617 50 0 HFAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000006600385 569069372 /nfs/dbraw/zinc/06/93/72/569069372.db2.gz IWRBQRUEQXVNJK-QGZVFWFLSA-N 0 0 422.481 2.744 50 0 HFAARN COc1cccc(C(=O)CSc2nnc3c(=O)n(-c4ccccc4OC)ccn23)c1 ZINC000064593221 569069468 /nfs/dbraw/zinc/06/94/68/569069468.db2.gz DTXLGOUOMRAPNO-UHFFFAOYSA-N 0 0 422.466 2.872 50 0 HFAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000004570464 569071363 /nfs/dbraw/zinc/07/13/63/569071363.db2.gz WNUHIBKAIQSZTJ-CQSZACIVSA-N 0 0 418.540 2.796 50 0 HFAARN Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cn5cccnc5n4)C3)C2=O)c1 ZINC000426374104 569072581 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Cc1nn(C(F)F)c(C)c1S(=O)(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1 ZINC000036615174 569206973 /nfs/dbraw/zinc/20/69/73/569206973.db2.gz FDEWBYNVFVDHAY-MRVPVSSYSA-N 0 0 415.388 2.725 50 0 HFAARN CCOC(=O)CN1C(=O)N(c2cccc(SC)c2)c2ncccc2S1(=O)=O ZINC000065255458 569207710 /nfs/dbraw/zinc/20/77/10/569207710.db2.gz ZDXLZGYTSQONCC-UHFFFAOYSA-N 0 0 407.473 2.629 50 0 HFAARN COc1ccc(-c2cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)o2)cc1 ZINC000065255696 569207960 /nfs/dbraw/zinc/20/79/60/569207960.db2.gz YLSMBQPCCHJDFL-UHFFFAOYSA-N 0 0 411.433 2.605 50 0 HFAARN COc1ccc(NC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)cc1OC ZINC000065257321 569208704 /nfs/dbraw/zinc/20/87/04/569208704.db2.gz AYJUIPPXQLEHPO-UHFFFAOYSA-N 0 0 400.479 2.953 50 0 HFAARN COc1ccc(CNC(=O)N2CCc3c(nc(-c4ccc(OC)cc4)[nH]c3=O)C2)cc1 ZINC000065260324 569209664 /nfs/dbraw/zinc/20/96/64/569209664.db2.gz AIBPWGWZRMVAFZ-UHFFFAOYSA-N 0 0 420.469 2.722 50 0 HFAARN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3cn(C)nc3C(F)(F)F)c12 ZINC000036619347 569210640 /nfs/dbraw/zinc/21/06/40/569210640.db2.gz DDMWVYAFTKEQCH-UHFFFAOYSA-N 0 0 405.340 2.936 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)C3CC3)CC23CCCCC3)cc1 ZINC000065259635 569210730 /nfs/dbraw/zinc/21/07/30/569210730.db2.gz FBIFBAKFGSVVBV-LJQANCHMSA-N 0 0 406.548 2.686 50 0 biogenic HFAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000007046356 569211045 /nfs/dbraw/zinc/21/10/45/569211045.db2.gz VREYNLBZYROFBV-STQMWFEESA-N 0 0 421.544 2.655 50 0 HFAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)Nc1ccc2ccccc2c1 ZINC000007045483 569211057 /nfs/dbraw/zinc/21/10/57/569211057.db2.gz LRORLPKBZQEPSQ-CYBMUJFWSA-N 0 0 417.512 2.931 50 0 HFAARN COc1cc([C@H](CC(=O)NCCc2ccncc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729760 569211849 /nfs/dbraw/zinc/21/18/49/569211849.db2.gz IQVBAMZNVANLGG-KRWDZBQOSA-N 0 0 424.453 2.644 50 0 biogenic HFAARN COc1cc([C@H](CC(=O)NCc2ccccn2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730394 569211958 /nfs/dbraw/zinc/21/19/58/569211958.db2.gz HXRHIGXHLPUTDC-INIZCTEOSA-N 0 0 410.426 2.601 50 0 biogenic HFAARN C[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)=CC2=N1 ZINC000065265473 569212432 /nfs/dbraw/zinc/21/24/32/569212432.db2.gz KVBNOCRYUHIWQL-CYBMUJFWSA-N 0 0 406.412 2.841 50 0 HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000524732926 569212832 /nfs/dbraw/zinc/21/28/32/569212832.db2.gz BHFAEXUWDNERFI-NRFANRHFSA-N 0 0 414.465 2.924 50 0 HFAARN CCn1nccc1C(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NC1CCCC1 ZINC000065265921 569213117 /nfs/dbraw/zinc/21/31/17/569213117.db2.gz ONPMHUYCIGBUEJ-HSZRJFAPSA-N 0 0 406.534 2.853 50 0 HFAARN Cc1nnc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)s1 ZINC000524732648 569213258 /nfs/dbraw/zinc/21/32/58/569213258.db2.gz GKGIUZXSKWNLQI-GOSISDBHSA-N 0 0 419.466 2.990 50 0 HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000524734484 569213685 /nfs/dbraw/zinc/21/36/85/569213685.db2.gz JXMAHBYQVQHOFQ-MOPGFXCFSA-N 0 0 402.454 2.802 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1nnc3ccc(Cl)nn31)CC2 ZINC000524733778 569213889 /nfs/dbraw/zinc/21/38/89/569213889.db2.gz OGAGMXVBOKJHFU-ZDUSSCGKSA-N 0 0 401.854 2.531 50 0 HFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CCCCC2)CC3)CC1 ZINC000065273794 569214678 /nfs/dbraw/zinc/21/46/78/569214678.db2.gz RZUQJBGBAFOBNI-MRXNPFEDSA-N 0 0 404.580 2.565 50 0 HFAARN O=C(c1cn2ccnc(-c3ccccc3)c2n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000065274338 569215106 /nfs/dbraw/zinc/21/51/06/569215106.db2.gz ANIIDDBPQXYKIV-UHFFFAOYSA-N 0 0 401.426 2.588 50 0 HFAARN C=C1C(N2CCC(NC(=O)NC(C)C)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065271857 569215378 /nfs/dbraw/zinc/21/53/78/569215378.db2.gz NUKCPDCZIFSGAG-UHFFFAOYSA-N 0 0 424.954 2.985 50 0 HFAARN C=C1C(N2CCC(NC(=O)N[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271879 569215437 /nfs/dbraw/zinc/21/54/37/569215437.db2.gz VPXJRKPKKGMUIP-AWEZNQCLSA-N 0 0 404.536 2.722 50 0 HFAARN COc1cccc(NC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)c1 ZINC000065272754 569215878 /nfs/dbraw/zinc/21/58/78/569215878.db2.gz GKMSKUOELSQLAL-CQSZACIVSA-N 0 0 400.500 2.973 50 0 HFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NC2CCCCCC2)CC3)CC1 ZINC000065273299 569216069 /nfs/dbraw/zinc/21/60/69/569216069.db2.gz JDZJLDHZDUDGCL-INIZCTEOSA-N 0 0 404.580 2.756 50 0 HFAARN CC(C)CCNC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273696 569216123 /nfs/dbraw/zinc/21/61/23/569216123.db2.gz LKDMPGLYXLOYCV-QGZVFWFLSA-N 0 0 418.607 2.859 50 0 HFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccccc2)CC3)CC1 ZINC000065273479 569216182 /nfs/dbraw/zinc/21/61/82/569216182.db2.gz OBFGSDPPCWJYRF-KRWDZBQOSA-N 0 0 412.559 2.623 50 0 HFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(C)o2)CC3)CC1 ZINC000065273517 569216193 /nfs/dbraw/zinc/21/61/93/569216193.db2.gz ADTMCFZEDAAEAT-HNNXBMFYSA-N 0 0 416.547 2.524 50 0 HFAARN CC(C)Cn1c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)nc2cccnc21 ZINC000065282855 569216406 /nfs/dbraw/zinc/21/64/06/569216406.db2.gz JOKVYFPUQOPNEP-UHFFFAOYSA-N 0 0 409.465 2.549 50 0 HFAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3C[C@H]3C)C2=O)cc(OC)c1OC ZINC000007061733 569217019 /nfs/dbraw/zinc/21/70/19/569217019.db2.gz MQSBRRYKZXDKEO-DORGZDKSSA-N 0 0 420.487 2.521 50 0 HFAARN NS(=O)(=O)c1ccc(OCCOC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000007086464 569217479 /nfs/dbraw/zinc/21/74/79/569217479.db2.gz QLMOCHVMQNJAQR-UHFFFAOYSA-N 0 0 407.463 2.907 50 0 HFAARN COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 ZINC000036678937 569219467 /nfs/dbraw/zinc/21/94/67/569219467.db2.gz UBQHIDDHUXZFKL-NRFANRHFSA-N 0 0 407.470 2.739 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(C)cc4)n3c2=O)cc1 ZINC000065307804 569219847 /nfs/dbraw/zinc/21/98/47/569219847.db2.gz QRKGKPPHWJKFFJ-UHFFFAOYSA-N 0 0 418.457 2.899 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccccc4)n3c2=O)cc1F ZINC000065307773 569219869 /nfs/dbraw/zinc/21/98/69/569219869.db2.gz PBNBBRWYXJLIKU-UHFFFAOYSA-N 0 0 422.420 2.729 50 0 HFAARN Cc1cc2nn(CC(=O)Nc3cc(F)cc(F)c3)c(=O)n2c(Nc2ccccc2)n1 ZINC000065307764 569219875 /nfs/dbraw/zinc/21/98/75/569219875.db2.gz ZREJVRZBMORZNG-UHFFFAOYSA-N 0 0 410.384 2.860 50 0 HFAARN Cc1ccc(Nc2nc(C)cc3nn(CC(=O)NCc4ccc(F)cc4)c(=O)n32)cc1 ZINC000065307823 569219905 /nfs/dbraw/zinc/21/99/05/569219905.db2.gz CTJRFQXIHGWQNW-UHFFFAOYSA-N 0 0 420.448 2.707 50 0 HFAARN O=C(Cn1nc2nc(N3CCCCCC3)ccn2c1=O)Nc1ccc(Cl)cc1 ZINC000065307946 569220003 /nfs/dbraw/zinc/22/00/03/569220003.db2.gz HJCXBXAKWGEEPZ-UHFFFAOYSA-N 0 0 400.870 2.564 50 0 HFAARN COc1c(C)cnc(Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)c1C ZINC000065305614 569220495 /nfs/dbraw/zinc/22/04/95/569220495.db2.gz OMNMYBXKUDGLNP-UHFFFAOYSA-N 0 0 417.469 2.534 50 0 HFAARN Cc1cccc2c1N(CC(=O)NCc1cc(F)cc(F)c1)C(=O)[C@@H]1CCCN1C2=O ZINC000065306903 569220801 /nfs/dbraw/zinc/22/08/01/569220801.db2.gz NJRDDERKYZDQFR-SFHVURJKSA-N 0 0 413.424 2.541 50 0 HFAARN CCCc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc2nnc(CC)n21 ZINC000065312061 569221115 /nfs/dbraw/zinc/22/11/15/569221115.db2.gz LVNIOCDBECRKFG-UHFFFAOYSA-N 0 0 414.460 2.880 50 0 HFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)CC1CCCC1 ZINC000007108213 569221309 /nfs/dbraw/zinc/22/13/09/569221309.db2.gz PDAUAFIGVWDZPP-UHFFFAOYSA-N 0 0 411.296 2.936 50 0 HFAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000036704254 569221749 /nfs/dbraw/zinc/22/17/49/569221749.db2.gz MXPJPDZWQANBFZ-GFCCVEGCSA-N 0 0 421.288 2.547 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nnc4cccc(C)n43)C2)c(OC)c1 ZINC000065312840 569222225 /nfs/dbraw/zinc/22/22/25/569222225.db2.gz RXTVHKVKONOJJR-KRWDZBQOSA-N 0 0 409.490 2.588 50 0 HFAARN Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccccn43)C2)CC1 ZINC000065312658 569222245 /nfs/dbraw/zinc/22/22/45/569222245.db2.gz XQXSOVVEJZDRSJ-LJQANCHMSA-N 0 0 404.518 2.603 50 0 HFAARN Cc1cccc2nnc(N3CCC[C@@H](C(=O)Nc4ccc(N5CCOCC5)cc4)C3)n21 ZINC000065312785 569222248 /nfs/dbraw/zinc/22/22/48/569222248.db2.gz XWHRBUMLPPBEFZ-GOSISDBHSA-N 0 0 420.517 2.729 50 0 HFAARN Cc1noc(C)c1CCC(=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000036700490 569222883 /nfs/dbraw/zinc/22/28/83/569222883.db2.gz PBYTVUZIJMDLER-UHFFFAOYSA-N 0 0 424.436 2.663 50 0 HFAARN O=C(NCc1ccccc1F)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314026 569223086 /nfs/dbraw/zinc/22/30/86/569223086.db2.gz NQHXMLHLHLDWRA-HXUWFJFHSA-N 0 0 420.488 2.964 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C)c(-c3ccccc3)c2C)cc1 ZINC000238824093 569225321 /nfs/dbraw/zinc/22/53/21/569225321.db2.gz DIAJFEWQHPBWJR-UHFFFAOYSA-N 0 0 413.499 2.932 50 0 HFAARN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)c1 ZINC000036728811 569225526 /nfs/dbraw/zinc/22/55/26/569225526.db2.gz FRISEXIZXZHZDI-UHFFFAOYSA-N 0 0 404.470 2.585 50 0 HFAARN COc1ccc(-c2noc(CSc3ccc(S(=O)(=O)N(C)C)cn3)n2)cc1 ZINC000007135126 569225663 /nfs/dbraw/zinc/22/56/63/569225663.db2.gz GAQHVSYVHHXCJR-UHFFFAOYSA-N 0 0 406.489 2.683 50 0 HFAARN O=C(CSc1ccc2c(c1)OCCO2)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000007146045 569226341 /nfs/dbraw/zinc/22/63/41/569226341.db2.gz CLDWJKYDFFUXOB-HNNXBMFYSA-N 0 0 411.545 2.508 50 0 HFAARN 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/nfs/dbraw/zinc/28/03/62/569280362.db2.gz SPJTWLQSMLMFSF-CVEARBPZSA-N 0 0 423.307 2.638 50 0 HFAARN Cc1cc(C)cc(NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000002095691 569280930 /nfs/dbraw/zinc/28/09/30/569280930.db2.gz SCPWBQOBRNGQOO-MSOLQXFVSA-N 0 0 408.502 2.623 50 0 biogenic HFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(OC)c(OC)c1 ZINC000002099556 569281278 /nfs/dbraw/zinc/28/12/78/569281278.db2.gz JNABOFLGMOKHRB-SFHVURJKSA-N 0 0 411.458 2.769 50 0 biogenic HFAARN O=C(COC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCO2 ZINC000007594623 569286974 /nfs/dbraw/zinc/28/69/74/569286974.db2.gz OOGXBHAPCHGQKN-UHFFFAOYSA-N 0 0 401.440 2.755 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007597739 569287804 /nfs/dbraw/zinc/28/78/04/569287804.db2.gz AEVKFGFZSAFGDX-KRWDZBQOSA-N 0 0 402.472 2.906 50 0 HFAARN CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)sc2c1 ZINC000007599548 569288235 /nfs/dbraw/zinc/28/82/35/569288235.db2.gz DXCFPWIHUXXLPL-UHFFFAOYSA-N 0 0 407.542 2.724 50 0 HFAARN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C[C@H]1O ZINC000252512739 569291895 /nfs/dbraw/zinc/29/18/95/569291895.db2.gz VEYOVXYWCIKBNL-CEWLAPEOSA-N 0 0 416.562 2.950 50 0 HFAARN COc1cc(-c2nnc3s/c(=C/c4sccc4C)c(=O)n32)cc(OC)c1OC ZINC000002179528 569293480 /nfs/dbraw/zinc/29/34/80/569293480.db2.gz AKGHWISMPWUHLP-OQLLNIDSSA-N 0 0 415.496 2.761 50 0 HFAARN COc1ccccc1CCN1C(=O)N[C@H](CC(=O)Nc2ccc3[nH]ccc3c2)C1=O ZINC000252571466 569294424 /nfs/dbraw/zinc/29/44/24/569294424.db2.gz XXVSOLCOJKYLKY-GOSISDBHSA-N 0 0 406.442 2.873 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000007604594 569295140 /nfs/dbraw/zinc/29/51/40/569295140.db2.gz OZGVMFSWWPJKCH-CQSZACIVSA-N 0 0 400.928 2.762 50 0 HFAARN Cc1cccc(NC(=O)CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1C ZINC000007606743 569295162 /nfs/dbraw/zinc/29/51/62/569295162.db2.gz XPIPYZVLZNELSE-INIZCTEOSA-N 0 0 408.502 2.938 50 0 HFAARN COc1ccc(S(=O)(=O)NC(C)C)cc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000007636130 569297806 /nfs/dbraw/zinc/29/78/06/569297806.db2.gz AQZRUVGYJACUSH-UHFFFAOYSA-N 0 0 412.533 2.515 50 0 HFAARN O=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000037428534 569298876 /nfs/dbraw/zinc/29/88/76/569298876.db2.gz XTLIURAYPORZRE-DLTPIXJPSA-N 0 0 411.483 2.841 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCOc3cccc(C)c3)CC2)cc1 ZINC000007698944 569301112 /nfs/dbraw/zinc/30/11/12/569301112.db2.gz HHQGMLHRFJQFKJ-UHFFFAOYSA-N 0 0 416.543 2.996 50 0 HFAARN CCOc1ccc(N2C(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000007718561 569302209 /nfs/dbraw/zinc/30/22/09/569302209.db2.gz BQJCFFJDXUTQPQ-OALUTQOASA-N 0 0 402.472 2.706 50 0 HFAARN CC(C)NC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037512306 569302474 /nfs/dbraw/zinc/30/24/74/569302474.db2.gz PVIBQGSWRYQXNP-AWEZNQCLSA-N 0 0 414.433 2.726 50 0 HFAARN CCCCN(C(=O)Cc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000007724674 569302816 /nfs/dbraw/zinc/30/28/16/569302816.db2.gz MLABTTARQALJPE-UHFFFAOYSA-N 0 0 406.914 2.804 50 0 HFAARN COc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)ncc1C(=O)NC1CC1 ZINC000037523654 569303695 /nfs/dbraw/zinc/30/36/95/569303695.db2.gz VPOKIXHMSJIPAF-UHFFFAOYSA-N 0 0 421.423 2.723 50 0 HFAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000007735642 569304533 /nfs/dbraw/zinc/30/45/33/569304533.db2.gz CXCOWLCZXFOQCI-KRWDZBQOSA-N 0 0 414.845 2.891 50 0 HFAARN CCNC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4F)n32)CC1 ZINC000037554496 569306390 /nfs/dbraw/zinc/30/63/90/569306390.db2.gz JPFDWWKSXMENMJ-UHFFFAOYSA-N 0 0 419.464 2.935 50 0 HFAARN CC(C)CC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C2CCCCC2)CC1 ZINC000037575430 569307552 /nfs/dbraw/zinc/30/75/52/569307552.db2.gz HISSGVMLYZAGEK-UHFFFAOYSA-N 0 0 415.538 2.762 50 0 HFAARN Cc1ccc(NC(=O)Cn2cncn2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000007779106 569309024 /nfs/dbraw/zinc/30/90/24/569309024.db2.gz QOQPXOZMSRNYOT-UHFFFAOYSA-N 0 0 405.867 2.679 50 0 HFAARN O=C(CCCOC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000007779603 569309374 /nfs/dbraw/zinc/30/93/74/569309374.db2.gz RUFJGHRXOXUPGL-UHFFFAOYSA-N 0 0 417.483 2.527 50 0 HFAARN COc1ccc(CCN(C)C(=O)CSc2nnc3n2CCCCC3)cc1OC ZINC000007784233 569310208 /nfs/dbraw/zinc/31/02/08/569310208.db2.gz XCPVSBVZONBMHO-UHFFFAOYSA-N 0 0 404.536 2.815 50 0 HFAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12c1ccccc1N(C)C2=O ZINC000002217790 569311628 /nfs/dbraw/zinc/31/16/28/569311628.db2.gz BDVRNZCRYPHGJK-QHCPKHFHSA-N 0 0 404.422 2.505 50 0 HFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)COc2cccc(C)c2C)c(=O)[nH]c1=O ZINC000007803618 569311805 /nfs/dbraw/zinc/31/18/05/569311805.db2.gz ACEQYEAMGIGYFO-UHFFFAOYSA-N 0 0 416.522 2.604 50 0 HFAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)=O)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000002222456 569313249 /nfs/dbraw/zinc/31/32/49/569313249.db2.gz BLDVLSVDADSBRM-MLNNCEHLSA-N 0 0 416.433 2.716 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252675871 569319618 /nfs/dbraw/zinc/31/96/18/569319618.db2.gz VIDXMUZHQADPFJ-KPBFEQQRSA-N 0 0 406.463 2.666 50 0 HFAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1cccc(Br)c1 ZINC000007914319 569321683 /nfs/dbraw/zinc/32/16/83/569321683.db2.gz NHVNIMJNGYOGIU-UHFFFAOYSA-N 0 0 416.275 2.944 50 0 HFAARN CCCc1nc2oc3c(ncnc3NCCOCCO)c2c2c1COC(C)(C)C2 ZINC000002237323 569322153 /nfs/dbraw/zinc/32/21/53/569322153.db2.gz PFDYEVNJCLKRSS-UHFFFAOYSA-N 0 0 400.479 2.996 50 0 HFAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(nc3c(C)cccn3c2=O)n1C ZINC000002917446 569322492 /nfs/dbraw/zinc/32/24/92/569322492.db2.gz BBQJOAFKPCOAIQ-UHFFFAOYSA-N 0 0 419.441 2.714 50 0 HFAARN CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 ZINC000007924535 569327307 /nfs/dbraw/zinc/32/73/07/569327307.db2.gz YDWKJHJSMARDJE-HXUWFJFHSA-N 0 0 420.506 2.974 50 0 HFAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H]3C[C@@]12[C@H](O)O3 ZINC000001318251 569356731 /nfs/dbraw/zinc/35/67/31/569356731.db2.gz JUHQUIOIVOVZQG-ZUELSLJPSA-N 0 0 402.487 2.574 50 0 HFAARN COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc2ccccc2c(=O)c1O ZINC000253396956 569365269 /nfs/dbraw/zinc/36/52/69/569365269.db2.gz BIHDBHLTHCBYIS-ZDUSSCGKSA-N 0 0 400.383 2.916 50 0 biogenic HFAARN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(OCC2CCOCC2)nc1 ZINC000253401813 569365757 /nfs/dbraw/zinc/36/57/57/569365757.db2.gz NNIQDDAPQNXZCL-MRXNPFEDSA-N 0 0 419.522 2.968 50 0 HFAARN CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCCn1c(C)ccc1C ZINC000253413023 569366737 /nfs/dbraw/zinc/36/67/37/569366737.db2.gz SUCIGQDHKPVNFP-IBGZPJMESA-N 0 0 413.518 2.602 50 0 biogenic HFAARN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(-c4nc[nH]n4)ccc3F)cc21 ZINC000253424973 569368055 /nfs/dbraw/zinc/36/80/55/569368055.db2.gz NCHDDJYMLMOHOO-UHFFFAOYSA-N 0 0 415.450 2.711 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)C(=O)COc2cc(C)cc(Cl)c2)cc1 ZINC000002296621 569369421 /nfs/dbraw/zinc/36/94/21/569369421.db2.gz CVAQBEOGJQKQTO-UHFFFAOYSA-N 0 0 410.879 2.833 50 0 HFAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCOCC2)cc1C ZINC000027550255 569372570 /nfs/dbraw/zinc/37/25/70/569372570.db2.gz ABTQBSRACOOSFL-PGMHBOJBSA-N 0 0 411.502 2.506 50 0 HFAARN CCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002334270 569375901 /nfs/dbraw/zinc/37/59/01/569375901.db2.gz WROUQCDTXNJIRD-UHFFFAOYSA-N 0 0 400.504 2.979 50 0 HFAARN O=C(NCCn1cc(-c2ccccc2)cn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000253473026 569381364 /nfs/dbraw/zinc/38/13/64/569381364.db2.gz RBGFZBOCOVMOTQ-UHFFFAOYSA-N 0 0 424.526 2.765 50 0 HFAARN COc1ccc(CCS(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1 ZINC000253473609 569381524 /nfs/dbraw/zinc/38/15/24/569381524.db2.gz WRVRUSNTNJMHSX-IBGZPJMESA-N 0 0 407.513 2.748 50 0 HFAARN O=C1CCN(S(=O)(=O)c2cc(Br)ccc2OC(F)(F)F)CC1 ZINC000230533665 569383744 /nfs/dbraw/zinc/38/37/44/569383744.db2.gz KMEQLBWUDKKAMY-UHFFFAOYSA-N 0 0 402.188 2.701 50 0 HFAARN O=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000252484579 569387561 /nfs/dbraw/zinc/38/75/61/569387561.db2.gz FZPKIBXPEHDUOM-QGZVFWFLSA-N 0 0 408.907 2.733 50 0 HFAARN COc1ccc2[nH]c(=O)c([C@H](CC(N)=O)c3c(Cc4ccccc4)[nH][nH]c3=O)cc2c1 ZINC000252499659 569387845 /nfs/dbraw/zinc/38/78/45/569387845.db2.gz SDRVAFBEDPZQDV-INIZCTEOSA-N 0 0 418.453 2.976 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000027790610 569395432 /nfs/dbraw/zinc/39/54/32/569395432.db2.gz CCOTYFPAVKUZMR-GOSISDBHSA-N 0 0 400.456 2.516 50 0 HFAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000011563693 569398580 /nfs/dbraw/zinc/39/85/80/569398580.db2.gz PRUMWNRVHAHQLE-RTGRKSDTSA-N 0 0 404.470 2.715 50 0 HFAARN CC(C)COC(=O)[C@@H]1[C@H](c2cccc(O)c2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000012661051 569402622 /nfs/dbraw/zinc/40/26/22/569402622.db2.gz ILBYLONDTKJWFO-UGTOYMOASA-N 0 0 420.502 2.830 50 0 biogenic HFAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000012987747 569406054 /nfs/dbraw/zinc/40/60/54/569406054.db2.gz BUTKUDVDLQHQNK-IBGZPJMESA-N 0 0 419.359 2.917 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)/C=C/c1ccc(F)cc1 ZINC000013002843 569406507 /nfs/dbraw/zinc/40/65/07/569406507.db2.gz FZQDZUAZNQWNLR-YRNVUSSQSA-N 0 0 420.462 2.580 50 0 HFAARN Cc1nn(-c2ccc(N3CCN(C(=O)CCc4ccccc4)CC3)nn2)c(C)c1C ZINC000013009007 569407125 /nfs/dbraw/zinc/40/71/25/569407125.db2.gz JOMRTFCCQMGJMM-UHFFFAOYSA-N 0 0 404.518 2.869 50 0 HFAARN Cc1noc(C)c1CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013056463 569408055 /nfs/dbraw/zinc/40/80/55/569408055.db2.gz RBXQHMDNCGPLQS-UHFFFAOYSA-N 0 0 403.426 2.817 50 0 HFAARN Cc1noc(C)c1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000013063621 569408471 /nfs/dbraw/zinc/40/84/71/569408471.db2.gz DRPVTAZQVGJEMZ-UHFFFAOYSA-N 0 0 403.426 2.817 50 0 HFAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)c(OC)c1 ZINC000013125215 569409677 /nfs/dbraw/zinc/40/96/77/569409677.db2.gz LBGRMFZMGCOJOL-IBGZPJMESA-N 0 0 422.445 2.627 50 0 HFAARN COCCn1c2c(cccc2F)s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000013286781 569410506 /nfs/dbraw/zinc/41/05/06/569410506.db2.gz ALUNKWXFKVHSDP-CZIZESTLSA-N 0 0 408.476 2.633 50 0 HFAARN COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCC(C)C)C3)n2)cc1OC ZINC000013367246 569412351 /nfs/dbraw/zinc/41/23/51/569412351.db2.gz NVOGLLCKQVRGAY-MRXNPFEDSA-N 0 0 402.495 2.738 50 0 HFAARN O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000078603658 569414522 /nfs/dbraw/zinc/41/45/22/569414522.db2.gz ZVLNOHUQHREKSO-ROUUACIJSA-N 0 0 410.486 2.956 50 0 HFAARN COc1cccc(OC)c1[C@@H]1CC(c2cccs2)=NN1C(=O)CN1CCOCC1 ZINC000328598594 569416293 /nfs/dbraw/zinc/41/62/93/569416293.db2.gz NLWIGUWUNVSIQR-INIZCTEOSA-N 0 0 415.515 2.775 50 0 HFAARN COc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2S(C)(=O)=O)c(OC)c1 ZINC000328600586 569416314 /nfs/dbraw/zinc/41/63/14/569416314.db2.gz YWFUOYCPHFKTTI-IBGZPJMESA-N 0 0 420.487 2.832 50 0 HFAARN CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)Cc3nc4ccccc4s3)ccc2c1=O ZINC000078714490 569419907 /nfs/dbraw/zinc/41/99/07/569419907.db2.gz KFLIWWMOVBJFMS-GFCCVEGCSA-N 0 0 408.483 2.680 50 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CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cc(Cl)c(Cl)cc1Cl ZINC000001050980 557159733 /nfs/dbraw/zinc/15/97/33/557159733.db2.gz GSQUVYZQWUYUCD-VIFPVBQESA-N 0 0 415.726 2.708 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1C ZINC000001060659 557163681 /nfs/dbraw/zinc/16/36/81/557163681.db2.gz QZVJAKHQLBTWAQ-UHFFFAOYSA-N 0 0 412.895 2.925 50 0 HFAARN CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Br)cc1 ZINC000001064474 557165643 /nfs/dbraw/zinc/16/56/43/557165643.db2.gz CELRBTASROEZGV-UHFFFAOYSA-N 0 0 409.265 2.715 50 0 HFAARN CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Br)cc1 ZINC000001065792 557166270 /nfs/dbraw/zinc/16/62/70/557166270.db2.gz XZOJWWPXJOCSNF-UHFFFAOYSA-N 0 0 409.265 2.715 50 0 HFAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000001070016 557168720 /nfs/dbraw/zinc/16/87/20/557168720.db2.gz WAMWZMVWZCTNJV-UHFFFAOYSA-N 0 0 406.504 2.948 50 0 HFAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCC[C@@H](C)C3)c(C)c2oc1=O ZINC000001111632 557184102 /nfs/dbraw/zinc/18/41/02/557184102.db2.gz 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ZINC000001173682 557226132 /nfs/dbraw/zinc/22/61/32/557226132.db2.gz VSIUVFARQUCQQT-UHFFFAOYSA-N 0 0 401.257 2.993 50 0 HFAARN CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccco4)n3N)sc2c1 ZINC000009723009 557243683 /nfs/dbraw/zinc/24/36/83/557243683.db2.gz CLLAADDWDIZOPC-UHFFFAOYSA-N 0 0 416.488 2.991 50 0 HFAARN CCOC(=O)C1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000001424326 557261274 /nfs/dbraw/zinc/26/12/74/557261274.db2.gz GITQNPFLXSOQIP-UHFFFAOYSA-N 0 0 408.248 2.971 50 0 HFAARN COC(=O)c1cnc(S[C@@H](c2ccccc2)c2nc(OC)cc(OC)n2)n1C ZINC000001742044 557284024 /nfs/dbraw/zinc/28/40/24/557284024.db2.gz IAYQUSQIGOCMTD-INIZCTEOSA-N 0 0 400.460 2.896 50 0 HFAARN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000002163705 557321041 /nfs/dbraw/zinc/32/10/41/557321041.db2.gz GMFRDWWMPKLSCX-LBPRGKRZSA-N 0 0 416.532 2.802 50 0 HFAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCOC ZINC000002201337 557325980 /nfs/dbraw/zinc/32/59/80/557325980.db2.gz IZFCEKSJTGVCQB-QHCPKHFHSA-N 0 0 404.422 2.505 50 0 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558416623 /nfs/dbraw/zinc/41/66/23/558416623.db2.gz ORJQMWHTQMYOEN-KRWDZBQOSA-N 0 0 409.461 2.788 50 0 HFAARN CCOC(=O)N1CCN(C(=O)c2cc(COc3ccc(F)cc3Cl)on2)CC1 ZINC000012457948 558417969 /nfs/dbraw/zinc/41/79/69/558417969.db2.gz WFQCDQJGACXJIZ-UHFFFAOYSA-N 0 0 411.817 2.960 50 0 HFAARN CCCS(=O)(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000020910114 558422025 /nfs/dbraw/zinc/42/20/25/558422025.db2.gz RKAJEFSXZTZVFP-UHFFFAOYSA-N 0 0 420.535 2.667 50 0 HFAARN Cc1nc(C)c(CC(=O)N2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 ZINC000012480016 558423235 /nfs/dbraw/zinc/42/32/35/558423235.db2.gz SYHUSDAOOGFGGS-GOSISDBHSA-N 0 0 421.588 2.661 50 0 HFAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cc(C)on1 ZINC000004341953 558425802 /nfs/dbraw/zinc/42/58/02/558425802.db2.gz OPUUJADUGUVCGX-UHFFFAOYSA-N 0 0 413.459 2.551 50 0 HFAARN Cn1c2nc3n(c2c(=O)n(CCCc2ccccc2)c1=O)CCCN3Cc1ccco1 ZINC000012556912 558427252 /nfs/dbraw/zinc/42/72/52/558427252.db2.gz NLDWUSRXPUEXFJ-UHFFFAOYSA-N 0 0 419.485 2.533 50 0 HFAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)nn1-c1ccccc1F ZINC000021005433 558428581 /nfs/dbraw/zinc/42/85/81/558428581.db2.gz RXXYUJKKROEQTB-UHFFFAOYSA-N 0 0 406.461 2.638 50 0 HFAARN O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(Cl)cc1 ZINC000021024035 558429453 /nfs/dbraw/zinc/42/94/53/558429453.db2.gz HRINMEMGKURDIR-UHFFFAOYSA-N 0 0 411.824 2.667 50 0 HFAARN CCOc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000021023649 558429629 /nfs/dbraw/zinc/42/96/29/558429629.db2.gz OLRAONILYZYWEQ-UHFFFAOYSA-N 0 0 407.405 2.735 50 0 HFAARN O=C(CC[C@@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1F ZINC000012591587 558435988 /nfs/dbraw/zinc/43/59/88/558435988.db2.gz YQMWCVLUITYCKH-INIZCTEOSA-N 0 0 416.497 2.507 50 0 HFAARN Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cnccn3)c2)s1 ZINC000012595759 558437731 /nfs/dbraw/zinc/43/77/31/558437731.db2.gz CLZNRVQTDWIULE-KRWDZBQOSA-N 0 0 408.487 2.937 50 0 HFAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000021496646 558439735 /nfs/dbraw/zinc/43/97/35/558439735.db2.gz BDXCMXVLNCOLHC-QUCCMNQESA-N 0 0 414.527 2.784 50 0 HFAARN C[C@H](NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000021510389 558440135 /nfs/dbraw/zinc/44/01/35/558440135.db2.gz MPEGNZGJKDRJHX-ZDUSSCGKSA-N 0 0 411.389 2.774 50 0 HFAARN Cc1csc(=O)n1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533671 558440853 /nfs/dbraw/zinc/44/08/53/558440853.db2.gz LQOHVRMIHYLPAA-UHFFFAOYSA-N 0 0 414.453 2.761 50 0 HFAARN Cc1ccc(=O)n([C@@H](C(=O)NCc2ccc3c(c2)OCO3)C(=O)c2ccc(F)cc2)c1 ZINC000012629750 558441295 /nfs/dbraw/zinc/44/12/95/558441295.db2.gz VNUDCYXXSZPCQZ-OAQYLSRUSA-N 0 0 422.412 2.765 50 0 HFAARN Cc1ccc(=O)n([C@H](C(=O)NCc2ccc3c(c2)OCO3)C(=O)c2ccc(F)cc2)c1 ZINC000012629753 558441357 /nfs/dbraw/zinc/44/13/57/558441357.db2.gz VNUDCYXXSZPCQZ-NRFANRHFSA-N 0 0 422.412 2.765 50 0 HFAARN CCn1c(CN2C[C@H](C)O[C@@H](C)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000021577907 558442020 /nfs/dbraw/zinc/44/20/20/558442020.db2.gz IJSIZFRQONCEPL-IRXDYDNUSA-N 0 0 420.579 2.840 50 0 HFAARN CC[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012660326 558444750 /nfs/dbraw/zinc/44/47/50/558444750.db2.gz IPHUWOGMOAQEQH-HLLBOEOZSA-N 0 0 403.523 2.815 50 0 HFAARN CC(C)COC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000012660978 558444939 /nfs/dbraw/zinc/44/49/39/558444939.db2.gz FVYWGRKLKFZUCH-SRYPRDQNSA-N 0 0 420.502 2.830 50 0 biogenic HFAARN COc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(C[S@@](C)=O)c2)cc(OC)c1 ZINC000010779392 558446424 /nfs/dbraw/zinc/44/64/24/558446424.db2.gz SIWOOVSWJGUKFR-QYSRSOONSA-N 0 0 405.472 2.766 50 0 HFAARN COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cccc(OCc2cscn2)c1 ZINC000021762788 558447976 /nfs/dbraw/zinc/44/79/76/558447976.db2.gz NARMPVRUPSZIHT-QGZVFWFLSA-N 0 0 420.487 2.583 50 0 HFAARN CC(C)(C)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000004359088 558448160 /nfs/dbraw/zinc/44/81/60/558448160.db2.gz QDVCVCKDKHSMKQ-UHFFFAOYSA-N 0 0 409.417 2.952 50 0 HFAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000021816790 558450800 /nfs/dbraw/zinc/45/08/00/558450800.db2.gz XCDVUMWSGFJXQX-NRFANRHFSA-N 0 0 409.486 2.635 50 0 HFAARN Cc1cc(C(=O)NC[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)no1 ZINC000012710392 558451861 /nfs/dbraw/zinc/45/18/61/558451861.db2.gz KXWDQZVZAUZFIR-AWEZNQCLSA-N 0 0 411.911 2.776 50 0 HFAARN Cc1cc(Cl)ccc1Nc1nc(NCCN2CCOCC2)nc2c1cnn2C ZINC000021873470 558453221 /nfs/dbraw/zinc/45/32/21/558453221.db2.gz OLGIANJYRPKPHF-UHFFFAOYSA-N 0 0 401.902 2.813 50 0 HFAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000012712410 558453386 /nfs/dbraw/zinc/45/33/86/558453386.db2.gz JUUORQLNUKOIPC-NRFANRHFSA-N 0 0 419.547 2.614 50 0 HFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Oc3ccccc3)n2)cc1 ZINC000021885426 558454020 /nfs/dbraw/zinc/45/40/20/558454020.db2.gz CLWIXNMAYVZHOQ-UHFFFAOYSA-N 0 0 408.439 2.791 50 0 HFAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1nnc2ccccn21 ZINC000021927212 558455650 /nfs/dbraw/zinc/45/56/50/558455650.db2.gz OXUMXIBICNXWBN-SXYIGIQMSA-N 0 0 409.534 2.703 50 0 HFAARN C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000021964865 558456689 /nfs/dbraw/zinc/45/66/89/558456689.db2.gz RRPZFMOICZAHGB-AWEZNQCLSA-N 0 0 409.408 2.761 50 0 HFAARN C[C@H]1c2ccsc2CCN1C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000022007830 558457580 /nfs/dbraw/zinc/45/75/80/558457580.db2.gz TVVOHKVEAFBLBU-ZDUSSCGKSA-N 0 0 403.529 2.788 50 0 HFAARN Cc1cc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000022017666 558458121 /nfs/dbraw/zinc/45/81/21/558458121.db2.gz OMJWNCHEKOLGQJ-BLLLJJGKSA-N 0 0 422.330 2.774 50 0 HFAARN Cc1nn2c(nc(N3CCN(CC(=O)NCC(C)C)CC3)c3ccccc32)c1Cl ZINC000022015637 558458125 /nfs/dbraw/zinc/45/81/25/558458125.db2.gz DOIYNHYJASSKMI-UHFFFAOYSA-N 0 0 414.941 2.739 50 0 HFAARN O=C(CN1CCCN(CC(=O)Nc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000022036805 558459230 /nfs/dbraw/zinc/45/92/30/558459230.db2.gz BNOSLQMNBFZDDA-UHFFFAOYSA-N 0 0 402.445 2.550 50 0 HFAARN CC(C)NC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000004363414 558460766 /nfs/dbraw/zinc/46/07/66/558460766.db2.gz CCIXASBUMBLFNX-UHFFFAOYSA-N 0 0 406.442 2.930 50 0 HFAARN Cc1ccc2c(COC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)cc(=O)oc2c1C ZINC000012787345 558463447 /nfs/dbraw/zinc/46/34/47/558463447.db2.gz TWDJKVSPOGTQRX-UHFFFAOYSA-N 0 0 420.421 2.547 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000010824287 558464896 /nfs/dbraw/zinc/46/48/96/558464896.db2.gz BCCCZQCNTMRVMC-UHFFFAOYSA-N 0 0 400.479 2.781 50 0 HFAARN O=C(CSc1nnc(-c2ccccc2)o1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000022185783 558465414 /nfs/dbraw/zinc/46/54/14/558465414.db2.gz OETSKJLTEYPDRE-LJQANCHMSA-N 0 0 424.526 2.846 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000012791125 558465629 /nfs/dbraw/zinc/46/56/29/558465629.db2.gz ATCNVSMEXSMLKM-UHFFFAOYSA-N 0 0 402.520 2.622 50 0 HFAARN O=C(COc1cc(Cl)ccc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000012791372 558465821 /nfs/dbraw/zinc/46/58/21/558465821.db2.gz UIRJNFQKGVOPSC-KGLIPLIRSA-N 0 0 422.330 2.567 50 0 HFAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012792731 558466707 /nfs/dbraw/zinc/46/67/07/558466707.db2.gz WOPOHQWPSMBNKX-AWEZNQCLSA-N 0 0 401.488 2.703 50 0 HFAARN O=C1NC2(CCCCCC2)C(=O)N1Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000012797844 558470018 /nfs/dbraw/zinc/47/00/18/558470018.db2.gz UFFYSGPXSVOTTN-UHFFFAOYSA-N 0 0 400.504 2.780 50 0 HFAARN NC(=O)c1cc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)nc2ccccc21 ZINC000012800315 558471452 /nfs/dbraw/zinc/47/14/52/558471452.db2.gz FVHIJUWSLLNPNY-UHFFFAOYSA-N 0 0 420.494 2.957 50 0 HFAARN CCCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OCC ZINC000012804657 558473017 /nfs/dbraw/zinc/47/30/17/558473017.db2.gz FVTKIJZUBBVYTA-UHFFFAOYSA-N 0 0 413.430 2.839 50 0 HFAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012805854 558473439 /nfs/dbraw/zinc/47/34/39/558473439.db2.gz GMJHJFRLWZPZMH-UHFFFAOYSA-N 0 0 424.526 2.541 50 0 HFAARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c(Br)c1 ZINC000012806554 558473918 /nfs/dbraw/zinc/47/39/18/558473918.db2.gz LHZCKQNFXRVZIA-UHFFFAOYSA-N 0 0 404.673 2.857 50 0 HFAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OC ZINC000022258016 558474670 /nfs/dbraw/zinc/47/46/70/558474670.db2.gz HSBFDZOWUWLSHO-AQTBWJFISA-N 0 0 408.483 2.948 50 0 HFAARN O=C(NC[C@@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004374402 558474799 /nfs/dbraw/zinc/47/47/99/558474799.db2.gz OOEBIYKHRNJYMK-GOEBONIOSA-N 0 0 401.850 2.585 50 0 HFAARN COc1ccc(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 ZINC000012814724 558475061 /nfs/dbraw/zinc/47/50/61/558475061.db2.gz IECQSOWDGIKZHK-LJQANCHMSA-N 0 0 400.475 2.516 50 0 HFAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)n2)C[C@H](C)O1 ZINC000022299073 558477272 /nfs/dbraw/zinc/47/72/72/558477272.db2.gz XDNZXJKWNRBEOF-OKILXGFUSA-N 0 0 423.560 2.549 50 0 HFAARN CCc1[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1C(=O)OC ZINC000022312795 558477709 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CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2C[C@@H]1C ZINC000028687283 558703656 /nfs/dbraw/zinc/70/36/56/558703656.db2.gz SKRXBXZQQOHMPI-NWDGAFQWSA-N 0 0 415.471 2.504 50 0 HFAARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(F)c(Br)c1 ZINC000028924240 558707501 /nfs/dbraw/zinc/70/75/01/558707501.db2.gz KIXOLXFFWBZOPO-QGZVFWFLSA-N 0 0 406.255 2.925 50 0 HFAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CCN2CCCCO2)C1 ZINC000015065181 558708141 /nfs/dbraw/zinc/70/81/41/558708141.db2.gz MGBGSWPDZBIVNC-QFIPXVFZSA-N 0 0 406.498 2.958 50 0 HFAARN CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000028997466 558708161 /nfs/dbraw/zinc/70/81/61/558708161.db2.gz JMGKTSWGGKESCI-UHFFFAOYSA-N 0 0 409.511 2.897 50 0 HFAARN O=C(NCc1[nH]nc2c1CCC2)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000015066969 558709930 /nfs/dbraw/zinc/70/99/30/558709930.db2.gz XHUVOGGACYIHAB-CQSZACIVSA-N 0 0 420.435 2.972 50 0 HFAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cnccn3)cc2)n1 ZINC000015067461 558710165 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558753230 /nfs/dbraw/zinc/75/32/30/558753230.db2.gz JIKIFIBELJMQNJ-UHFFFAOYSA-N 0 0 424.409 2.989 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000097880496 558753525 /nfs/dbraw/zinc/75/35/25/558753525.db2.gz CJNXLDPCRTWETP-HSALFYBXSA-N 0 0 414.594 2.698 50 0 HFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000015826252 558754705 /nfs/dbraw/zinc/75/47/05/558754705.db2.gz GHMBNIMLOKRDOX-KRWDZBQOSA-N 0 0 419.485 2.993 50 0 HFAARN CC[C@@H](C)NC(=O)c1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000032959289 558754827 /nfs/dbraw/zinc/75/48/27/558754827.db2.gz QXJBMWPUYJVHKP-GFCCVEGCSA-N 0 0 411.483 2.989 50 0 HFAARN CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc3nc(C)ccc3o2)cc1 ZINC000015867834 558759527 /nfs/dbraw/zinc/75/95/27/558759527.db2.gz KUTNRMVOWCLXNG-UHFFFAOYSA-N 0 0 406.489 2.560 50 0 HFAARN CC[C@@H]1C[C@@H](C)CN1C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000072305538 558760237 /nfs/dbraw/zinc/76/02/37/558760237.db2.gz 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O=C(CN1CCN(C(=O)c2ccco2)CC1)NCCc1ccc(Cl)cc1Cl ZINC000034857753 558785512 /nfs/dbraw/zinc/78/55/12/558785512.db2.gz DVNNGTPWRBBYOK-UHFFFAOYSA-N 0 0 410.301 2.703 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000034863152 558785675 /nfs/dbraw/zinc/78/56/75/558785675.db2.gz CSDKTUGWHHCWMU-UHFFFAOYSA-N 0 0 415.490 2.805 50 0 HFAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NC(=O)NCc1ccccc1 ZINC000034866197 558785900 /nfs/dbraw/zinc/78/59/00/558785900.db2.gz XAEWSRDXPHHEJK-UHFFFAOYSA-N 0 0 420.435 2.853 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000034892133 558787139 /nfs/dbraw/zinc/78/71/39/558787139.db2.gz XMRFQAFXBTUMJO-HIFRSBDPSA-N 0 0 424.929 2.623 50 0 HFAARN O=C(NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c(F)cccc1F ZINC000035223993 558789171 /nfs/dbraw/zinc/78/91/71/558789171.db2.gz IEFGAYSIUNKTNF-UHFFFAOYSA-N 0 0 419.453 2.526 50 0 HFAARN COc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)cc1 ZINC000035405908 558790970 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ZINC000033325708 558828573 /nfs/dbraw/zinc/82/85/73/558828573.db2.gz TXLNAUIJMRORQF-IBGZPJMESA-N 0 0 424.526 2.852 50 0 HFAARN O=C(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCCCC1 ZINC000018271458 558835209 /nfs/dbraw/zinc/83/52/09/558835209.db2.gz UVPLPHGTFUZTKW-IBGZPJMESA-N 0 0 401.482 2.572 50 0 HFAARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccccc1OC(F)F ZINC000001003573 558836114 /nfs/dbraw/zinc/83/61/14/558836114.db2.gz IIBMAKKBCPWZHE-ZDUSSCGKSA-N 0 0 403.385 2.865 50 0 HFAARN COc1cc(N2C[C@H](C(=O)NCCc3cccc(C)c3)CC2=O)cc(OC)c1OC ZINC000060323404 558836588 /nfs/dbraw/zinc/83/65/88/558836588.db2.gz NEPLVQASHIUDEN-QGZVFWFLSA-N 0 0 412.486 2.733 50 0 HFAARN COc1ccc(NC(=O)CN(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1Cl ZINC000072313486 558840338 /nfs/dbraw/zinc/84/03/38/558840338.db2.gz CERIXEJJFONIBR-QGZVFWFLSA-N 0 0 415.877 2.547 50 0 HFAARN CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000004602814 558846274 /nfs/dbraw/zinc/84/62/74/558846274.db2.gz 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CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000060348024 558859401 /nfs/dbraw/zinc/85/94/01/558859401.db2.gz WCSVZQPSDNSIKF-WFASDCNBSA-N 0 0 409.939 2.509 50 0 HFAARN Cc1ccc(S(=O)(=O)NN[C@H]2C3=C(CCCC3)C(=O)N2CCCOC(C)C)cc1 ZINC000004616204 558860178 /nfs/dbraw/zinc/86/01/78/558860178.db2.gz YUUOEMHBIAXFTI-HXUWFJFHSA-N 0 0 421.563 2.632 50 0 HFAARN CCOC(=O)c1sc2ncn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c(=O)c2c1C ZINC000022154949 558862756 /nfs/dbraw/zinc/86/27/56/558862756.db2.gz RUHFWYXNCONTIP-LBPRGKRZSA-N 0 0 417.462 2.960 50 0 HFAARN C[C@@H]1COCCN1c1cc([C@@H]2C[C@H]2[S@](C)(=N)=O)nc(-c2ccnc3[nH]ccc32)n1 ZINC000514264183 558863222 /nfs/dbraw/zinc/86/32/22/558863222.db2.gz QCMVAPXCVDFKBD-SAQLYINBSA-N 0 0 412.519 2.729 50 0 HFAARN CCc1ccc(CNC(=O)CN2c3cc(F)ccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000065307029 558866804 /nfs/dbraw/zinc/86/68/04/558866804.db2.gz YMFLAKWBLIYGQM-LJQANCHMSA-N 0 0 409.461 2.656 50 0 HFAARN CCOc1ccc(CNS(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1OC ZINC000033086371 558870993 /nfs/dbraw/zinc/87/09/93/558870993.db2.gz KMVXGGZYWHWMIK-UHFFFAOYSA-N 0 0 403.460 2.931 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N(Cc1ccccc1)CC1CC1 ZINC000055072682 558871522 /nfs/dbraw/zinc/87/15/22/558871522.db2.gz MLSNETVZULCWHV-QFIPXVFZSA-N 0 0 409.505 2.955 50 0 HFAARN CC1(C)C(=O)NCCN1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055119224 558873041 /nfs/dbraw/zinc/87/30/41/558873041.db2.gz IULQDHOIDXOSIP-UHFFFAOYSA-N 0 0 404.470 2.978 50 0 HFAARN COc1ccc(NC(=O)NCCN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000055532994 558881833 /nfs/dbraw/zinc/88/18/33/558881833.db2.gz VJKLSCVAAPHNSR-UHFFFAOYSA-N 0 0 402.470 2.787 50 0 HFAARN COc1cccc(NC(=O)CN2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)c1 ZINC000033045379 558882262 /nfs/dbraw/zinc/88/22/62/558882262.db2.gz JZCWBCRVLQMHII-UHFFFAOYSA-N 0 0 417.531 2.622 50 0 HFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000019418977 558885330 /nfs/dbraw/zinc/88/53/30/558885330.db2.gz AKNNEGZIBPJZJG-ROUUACIJSA-N 0 0 413.426 2.882 50 0 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2.520 50 0 HFAARN COc1cccc(COc2cn(C)c(C(=O)NCc3ccc4c(c3)OCO4)cc2=O)c1 ZINC000012167210 560890664 /nfs/dbraw/zinc/89/06/64/560890664.db2.gz DVKLBZYSADQNRG-UHFFFAOYSA-N 0 0 422.437 2.632 50 0 HFAARN O=C(COC(=O)[C@H]1CCCN1C(=O)NC1CCCCC1)NCCc1ccc(F)cc1 ZINC000047574700 560892660 /nfs/dbraw/zinc/89/26/60/560892660.db2.gz RTUIHMQKPUZNQW-LJQANCHMSA-N 0 0 419.497 2.534 50 0 HFAARN COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000211088733 560894740 /nfs/dbraw/zinc/89/47/40/560894740.db2.gz JJUIKYPRZUPSOZ-AWEZNQCLSA-N 0 0 405.394 2.735 50 0 HFAARN C[C@H]1Cc2ccccc2N1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000107083669 560895276 /nfs/dbraw/zinc/89/52/76/560895276.db2.gz PKZLWXRDMNRLGO-RDJZCZTQSA-N 0 0 404.557 2.715 50 0 HFAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cnccc32)cc1OC ZINC000012227752 560895408 /nfs/dbraw/zinc/89/54/08/560895408.db2.gz RSYLCVLJZVHCLQ-UHFFFAOYSA-N 0 0 415.471 2.511 50 0 HFAARN Cc1ccc2c(CN3CCN(C)C[C@H]3CNC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000107364858 560896226 /nfs/dbraw/zinc/89/62/26/560896226.db2.gz OOKLFXWVTSLFRJ-QGZVFWFLSA-N 0 0 401.507 2.742 50 0 HFAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCCN1CCOCC1 ZINC000022852771 568415589 /nfs/dbraw/zinc/41/55/89/568415589.db2.gz MWRVRSWKFOFTLZ-UHFFFAOYSA-N 0 0 402.495 2.583 50 0 HFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000045769035 568420938 /nfs/dbraw/zinc/42/09/38/568420938.db2.gz CPEOGLIUWRFKNN-ZDUSSCGKSA-N 0 0 411.277 2.553 50 0 HFAARN COc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)cc1 ZINC000045961513 568422704 /nfs/dbraw/zinc/42/27/04/568422704.db2.gz CIXSDPWBEIRBNG-UHFFFAOYSA-N 0 0 422.466 2.765 50 0 HFAARN Cc1cccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(F)cc4)c3=O)n2)c1 ZINC000045971011 568423102 /nfs/dbraw/zinc/42/31/02/568423102.db2.gz YHDDIXZZDXGTMK-UHFFFAOYSA-N 0 0 417.404 2.582 50 0 HFAARN CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3nnc(CC)s3)n2)c1=O ZINC000046020544 568423991 /nfs/dbraw/zinc/42/39/91/568423991.db2.gz BOVVQIQRTXOKBJ-UHFFFAOYSA-N 0 0 402.480 2.602 50 0 HFAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)cc(NC(C)=O)c2=O)cc1 ZINC000046079194 568427757 /nfs/dbraw/zinc/42/77/57/568427757.db2.gz KWZSYTQCYKLRNK-UHFFFAOYSA-N 0 0 406.442 2.824 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC(CCNC(=O)NCc3ccco3)CC2)cc1 ZINC000046141556 568430228 /nfs/dbraw/zinc/43/02/28/568430228.db2.gz PAADPBHTDKNENI-UHFFFAOYSA-N 0 0 405.520 2.878 50 0 HFAARN COc1ccc(CCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000046145047 568430374 /nfs/dbraw/zinc/43/03/74/568430374.db2.gz GKJPVGSMSFNSMB-UHFFFAOYSA-N 0 0 416.543 2.906 50 0 HFAARN Cc1cc(NC(=O)[C@@H](c2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)no1 ZINC000047652045 568430397 /nfs/dbraw/zinc/43/03/97/568430397.db2.gz GQFSKQRNFQIKMM-LJQANCHMSA-N 0 0 414.439 2.908 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000046145453 568430538 /nfs/dbraw/zinc/43/05/38/568430538.db2.gz UJOITWLIPLXUDY-UHFFFAOYSA-N 0 0 408.907 2.932 50 0 HFAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCS(C)(=O)=O)cc12 ZINC000047696054 568430902 /nfs/dbraw/zinc/43/09/02/568430902.db2.gz JFBPERITETWTCJ-UHFFFAOYSA-N 0 0 409.508 2.758 50 0 HFAARN C[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000047733933 568431178 /nfs/dbraw/zinc/43/11/78/568431178.db2.gz JAEMIOQCDHWXIP-CQSZACIVSA-N 0 0 419.441 2.505 50 0 HFAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000048132141 568432092 /nfs/dbraw/zinc/43/20/92/568432092.db2.gz AOCZDTDXTATPSX-UHFFFAOYSA-N 0 0 402.462 2.911 50 0 HFAARN COc1ccccc1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000048248549 568433239 /nfs/dbraw/zinc/43/32/39/568433239.db2.gz DQDXYTCXOZFROO-UHFFFAOYSA-N 0 0 410.518 2.907 50 0 HFAARN COC(=O)C[C@@H](NC(=O)c1cc(OC)c2c(c1)OCCO2)c1ccc(OC)cc1 ZINC000048237762 568433247 /nfs/dbraw/zinc/43/32/47/568433247.db2.gz LCJCUOOJUWXJQU-MRXNPFEDSA-N 0 0 401.415 2.509 50 0 HFAARN CC(C)c1noc(CCCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 ZINC000048248812 568433347 /nfs/dbraw/zinc/43/33/47/568433347.db2.gz KIRWPIBXLNJSBZ-UHFFFAOYSA-N 0 0 400.479 2.556 50 0 HFAARN Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)C1 ZINC000048260708 568433604 /nfs/dbraw/zinc/43/36/04/568433604.db2.gz ZYEYCOPQVDQRMM-GJZGRUSLSA-N 0 0 422.455 2.852 50 0 HFAARN O=C(NCCNC(=O)c1ccc(O)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000048273665 568434034 /nfs/dbraw/zinc/43/40/34/568434034.db2.gz GFLJHWASAJQTAB-UHFFFAOYSA-N 0 0 416.437 2.998 50 0 HFAARN O=C(Nc1cc(F)ccc1C(=O)NCc1ccnc(N2CCOCC2)c1)c1ccoc1 ZINC000048250396 568434239 /nfs/dbraw/zinc/43/42/39/568434239.db2.gz IUWWGBCUJFCQIO-UHFFFAOYSA-N 0 0 424.432 2.833 50 0 HFAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)c2)n1 ZINC000048252371 568434296 /nfs/dbraw/zinc/43/42/96/568434296.db2.gz RZLDRMHMIFIJOI-KRWDZBQOSA-N 0 0 423.517 2.866 50 0 HFAARN CCn1cnnc1CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000048286695 568434569 /nfs/dbraw/zinc/43/45/69/568434569.db2.gz RKVIBVQYJKBCAC-UHFFFAOYSA-N 0 0 413.551 2.626 50 0 HFAARN Cc1cc(C)n(-c2ccc(CCNC(=O)Cn3cc(C(N)=O)c4ccccc43)cc2)n1 ZINC000048286485 568436130 /nfs/dbraw/zinc/43/61/30/568436130.db2.gz UVRNNEQSGOCMNV-UHFFFAOYSA-N 0 0 415.497 2.902 50 0 HFAARN CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000048312052 568437170 /nfs/dbraw/zinc/43/71/70/568437170.db2.gz DVPSWFPBKFOCEX-UHFFFAOYSA-N 0 0 415.512 2.794 50 0 HFAARN Cn1ccnc1C(=O)c1ccc(NC(=O)NCc2cccnc2-n2cccn2)cc1 ZINC000048300322 568437474 /nfs/dbraw/zinc/43/74/74/568437474.db2.gz SSQASGVDOFZOII-UHFFFAOYSA-N 0 0 401.430 2.554 50 0 HFAARN CC(=O)c1ccccc1OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000048326283 568438221 /nfs/dbraw/zinc/43/82/21/568438221.db2.gz GRENCIKPJMZAQN-HNNXBMFYSA-N 0 0 412.467 2.656 50 0 HFAARN COCCN(Cc1ccc(Cl)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000048324617 568438475 /nfs/dbraw/zinc/43/84/75/568438475.db2.gz JAOSSNXKTJLVDX-UHFFFAOYSA-N 0 0 420.922 2.535 50 0 HFAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000048312667 568438989 /nfs/dbraw/zinc/43/89/89/568438989.db2.gz SRPGCCMANVQDTC-UHFFFAOYSA-N 0 0 415.406 2.780 50 0 HFAARN CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)ccn1 ZINC000048331572 568439872 /nfs/dbraw/zinc/43/98/72/568439872.db2.gz IXGKWPLRKULKJZ-AWEZNQCLSA-N 0 0 417.307 2.579 50 0 HFAARN C[C@H]1CN(C(=O)C2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)C[C@H](C)O1 ZINC000048341636 568440408 /nfs/dbraw/zinc/44/04/08/568440408.db2.gz MAFTVCDAROBWOY-KBPBESRZSA-N 0 0 407.898 2.553 50 0 HFAARN COCc1ccccc1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000048344544 568440759 /nfs/dbraw/zinc/44/07/59/568440759.db2.gz KOVIYAFANOXISQ-QGZVFWFLSA-N 0 0 408.545 2.754 50 0 HFAARN O=C(COCCOc1ccccc1)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000048362111 568441599 /nfs/dbraw/zinc/44/15/99/568441599.db2.gz YSSOWMNTUQBWCN-UHFFFAOYSA-N 0 0 410.392 2.647 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)c3snc(-c4ccccn4)c3N)CC2)cc1 ZINC000049007632 568445030 /nfs/dbraw/zinc/44/50/30/568445030.db2.gz LNQOCKQDNNNKHR-UHFFFAOYSA-N 0 0 407.499 2.952 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1 ZINC000049008934 568445335 /nfs/dbraw/zinc/44/53/35/568445335.db2.gz ZAIWRQUURAZUTB-UHFFFAOYSA-N 0 0 413.503 2.963 50 0 HFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000049027078 568445582 /nfs/dbraw/zinc/44/55/82/568445582.db2.gz NRUABURDQVLPHD-UHFFFAOYSA-N 0 0 406.573 2.817 50 0 HFAARN Cc1ccc(NC(=O)Cn2ncc(SCC(=O)NC3CC3)c(Cl)c2=O)c(C)c1 ZINC000049401134 568447712 /nfs/dbraw/zinc/44/77/12/568447712.db2.gz XPVROIFGWQQNQT-UHFFFAOYSA-N 0 0 420.922 2.523 50 0 HFAARN Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4cccs4)CC3)nn2)ccc1F ZINC000049406481 568448891 /nfs/dbraw/zinc/44/88/91/568448891.db2.gz GCZQYYSQSVWSFD-UHFFFAOYSA-N 0 0 413.478 2.811 50 0 HFAARN Cc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O ZINC000049409089 568449595 /nfs/dbraw/zinc/44/95/95/568449595.db2.gz GZGXRCSCLPVZRL-UHFFFAOYSA-N 0 0 417.531 2.524 50 0 HFAARN COCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421216 568450599 /nfs/dbraw/zinc/45/05/99/568450599.db2.gz JRTTXIWKJVCBDB-OAHLLOKOSA-N 0 0 412.515 2.631 50 0 HFAARN Cc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)cc1Cl ZINC000049421665 568450680 /nfs/dbraw/zinc/45/06/80/568450680.db2.gz FGNHZLRBDWGAKB-UHFFFAOYSA-N 0 0 417.874 2.677 50 0 HFAARN CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000049547204 568451459 /nfs/dbraw/zinc/45/14/59/568451459.db2.gz IYCDARYABIARPI-JOCHJYFZSA-N 0 0 421.497 2.925 50 0 HFAARN COc1cc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)cc(OC)c1 ZINC000049549024 568451693 /nfs/dbraw/zinc/45/16/93/568451693.db2.gz AJBFMGURTCBJMB-UHFFFAOYSA-N 0 0 402.447 2.660 50 0 HFAARN CC(C)c1nnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCSCC2)s1 ZINC000049549953 568451824 /nfs/dbraw/zinc/45/18/24/568451824.db2.gz LRFBNGXNEKTNBD-HNNXBMFYSA-N 0 0 419.576 2.970 50 0 HFAARN Cc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)c1C ZINC000049580943 568452845 /nfs/dbraw/zinc/45/28/45/568452845.db2.gz MSFAUYXFINQMQW-HXUWFJFHSA-N 0 0 405.498 2.641 50 0 HFAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000012237691 568455179 /nfs/dbraw/zinc/45/51/79/568455179.db2.gz HCXFXXMHIKMLII-UHFFFAOYSA-N 0 0 423.816 2.603 50 0 HFAARN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 ZINC000005210986 568455378 /nfs/dbraw/zinc/45/53/78/568455378.db2.gz BDLYQRVPWURVET-LBPRGKRZSA-N 0 0 417.516 2.547 50 0 HFAARN COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000024669230 568456477 /nfs/dbraw/zinc/45/64/77/568456477.db2.gz JMUZJLATVNRGOO-AWEZNQCLSA-N 0 0 403.504 2.550 50 0 HFAARN O=C(N/C(=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc(Br)o1 ZINC000000657789 568459703 /nfs/dbraw/zinc/45/97/03/568459703.db2.gz JNPAXSLXZBALRY-WYMLVPIESA-N 0 0 405.248 2.672 50 0 HFAARN COc1cc2cc(C(=O)N[C@@H](C)C(=O)Nc3ncc(C)s3)[nH]c2c(OC)c1OC ZINC000012296369 568462715 /nfs/dbraw/zinc/46/27/15/568462715.db2.gz IWCPNNCTNWYQJC-JTQLQIEISA-N 0 0 418.475 2.716 50 0 biogenic HFAARN CCOc1ccc(CCNC(=O)Cn2nc(C)c3ccccc3c2=O)cc1OCC ZINC000000719187 568465970 /nfs/dbraw/zinc/46/59/70/568465970.db2.gz RINYJRXOFMMDRY-UHFFFAOYSA-N 0 0 409.486 2.861 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c(F)c1 ZINC000012321227 568470543 /nfs/dbraw/zinc/47/05/43/568470543.db2.gz RHWVKVYAIUEQIQ-IBGZPJMESA-N 0 0 400.435 2.888 50 0 HFAARN O=C(Nc1nc2ccccc2[nH]1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000012321861 568471063 /nfs/dbraw/zinc/47/10/63/568471063.db2.gz NZHFFUCNXSVGQD-UHFFFAOYSA-N 0 0 406.467 2.716 50 0 HFAARN COc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)c(OC)c1 ZINC000012322275 568471259 /nfs/dbraw/zinc/47/12/59/568471259.db2.gz KQRGRWAACWASPC-UHFFFAOYSA-N 0 0 404.224 2.694 50 0 HFAARN COc1ccc([C@]2(CC(=O)NCCSC)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012333293 568472801 /nfs/dbraw/zinc/47/28/01/568472801.db2.gz QYUIULCHVPWHPU-NRFANRHFSA-N 0 0 404.532 2.504 50 0 HFAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000000785561 568476990 /nfs/dbraw/zinc/47/69/90/568476990.db2.gz VKUSNDUAIYVYPJ-AWEZNQCLSA-N 0 0 420.487 2.650 50 0 HFAARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000218498536 568481108 /nfs/dbraw/zinc/48/11/08/568481108.db2.gz RSCFZXWHPJDZQA-CTNGQTDRSA-N 0 0 420.513 2.897 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000000796777 568482257 /nfs/dbraw/zinc/48/22/57/568482257.db2.gz GEIVLHUVPXNHPY-SFHVURJKSA-N 0 0 402.516 2.721 50 0 HFAARN O=C(CCNC(=O)c1ccccc1Cl)N1CCN(C(=O)c2cccs2)CC1 ZINC000007899749 568486382 /nfs/dbraw/zinc/48/63/82/568486382.db2.gz AIPUVGDXXAKLOE-UHFFFAOYSA-N 0 0 405.907 2.506 50 0 HFAARN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 ZINC000000807270 568487916 /nfs/dbraw/zinc/48/79/16/568487916.db2.gz DEYUIJPHPGUTGW-INIZCTEOSA-N 0 0 402.516 2.727 50 0 HFAARN CN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000008073754 568490103 /nfs/dbraw/zinc/49/01/03/568490103.db2.gz OXJNQDUIICGQEB-UHFFFAOYSA-N 0 0 414.428 2.734 50 0 HFAARN COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604403878 568492165 /nfs/dbraw/zinc/49/21/65/568492165.db2.gz BJUXYJGODRGQTO-GOSISDBHSA-N 0 0 411.458 2.532 50 0 biogenic HFAARN CC[C@H](C)[C@@H](C(=O)NCC1(Cc2nnc3ccccn32)CCCCC1)n1cnnn1 ZINC000604418831 568492999 /nfs/dbraw/zinc/49/29/99/568492999.db2.gz ISDYCGUONRGRIT-LPHOPBHVSA-N 0 0 410.526 2.612 50 0 HFAARN CN(Cc1ccccc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000000816996 568495544 /nfs/dbraw/zinc/49/55/44/568495544.db2.gz JISUOUSRVHDTMG-UHFFFAOYSA-N 0 0 411.321 2.874 50 0 HFAARN COc1ccc(OC)c([C@H](C)NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000008274341 568495768 /nfs/dbraw/zinc/49/57/68/568495768.db2.gz VHBBOIORSBFQRC-AWEZNQCLSA-N 0 0 403.479 2.526 50 0 HFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 ZINC000000831434 568507821 /nfs/dbraw/zinc/50/78/21/568507821.db2.gz CKGJLWLZHHJCOM-HXUWFJFHSA-N 0 0 415.490 2.659 50 0 HFAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000033024098 568510408 /nfs/dbraw/zinc/51/04/08/568510408.db2.gz FQFRKWVGQVISPW-GOSISDBHSA-N 0 0 407.470 2.702 50 0 HFAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCc3cccnc3)s2)cc1 ZINC000032987761 568510503 /nfs/dbraw/zinc/51/05/03/568510503.db2.gz KIEVRQQQZNBTKD-UHFFFAOYSA-N 0 0 411.487 2.833 50 0 HFAARN Cc1ccc(CNC(=O)CCc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)o1 ZINC000033062874 568510954 /nfs/dbraw/zinc/51/09/54/568510954.db2.gz FMSLZSZUJXJOTQ-UHFFFAOYSA-N 0 0 403.460 2.502 50 0 HFAARN Cc1ccc2[nH]c(N3CCC[C@H](C(=O)N4CCN(c5ccccn5)CC4)C3)nc2c1 ZINC000033071957 568511125 /nfs/dbraw/zinc/51/11/25/568511125.db2.gz CTNQKAHANOWKDO-SFHVURJKSA-N 0 0 404.518 2.832 50 0 HFAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1 ZINC000033307518 568514039 /nfs/dbraw/zinc/51/40/39/568514039.db2.gz TUQAQEGHOGKQKS-ZDUSSCGKSA-N 0 0 410.565 2.619 50 0 HFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000033560607 568515447 /nfs/dbraw/zinc/51/54/47/568515447.db2.gz FKVROBWTNNKCDC-UHFFFAOYSA-N 0 0 410.426 2.649 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)N1CCSCC1 ZINC000014979286 568549031 /nfs/dbraw/zinc/54/90/31/568549031.db2.gz KPDWXZUYUQLZSX-NRFANRHFSA-N 0 0 409.555 2.620 50 0 HFAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCOCC2)C3=O)cc1 ZINC000020117771 568589500 /nfs/dbraw/zinc/58/95/00/568589500.db2.gz FVZUNFUJJRDKNF-JOCHJYFZSA-N 0 0 409.511 2.564 50 0 HFAARN O=C(c1cc(-c2cccnc2)on1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390828383 568591598 /nfs/dbraw/zinc/59/15/98/568591598.db2.gz AVHJEJCIBANGEO-UHFFFAOYSA-N 0 0 411.483 2.956 50 0 HFAARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(C[C@H]3CCCCO3)c2)cc1 ZINC000390829098 568591742 /nfs/dbraw/zinc/59/17/42/568591742.db2.gz WRQGDZMVTZGVFA-GOSISDBHSA-N 0 0 405.520 2.816 50 0 HFAARN CN1c2ccccc2O/C(=C\c2ccc(C(=O)NCCCN3CCOCC3)cc2)C1=O ZINC000020179380 568593103 /nfs/dbraw/zinc/59/31/03/568593103.db2.gz FQTPITISBXGLDW-XLNRJJMWSA-N 0 0 421.497 2.535 50 0 HFAARN O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1ccccc1 ZINC000094993007 568593388 /nfs/dbraw/zinc/59/33/88/568593388.db2.gz LTKLUHSGGHXDKR-UHFFFAOYSA-N 0 0 404.470 2.871 50 0 HFAARN C=Cc1ccc(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)cc1 ZINC000020345114 568599452 /nfs/dbraw/zinc/59/94/52/568599452.db2.gz PSLKPKVAMYDAMB-UHFFFAOYSA-N 0 0 418.497 2.721 50 0 HFAARN CC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)n1nc(C)n2c3ccoc3cc2c1=O ZINC000020386201 568603294 /nfs/dbraw/zinc/60/32/94/568603294.db2.gz ZAIKAEMRGMZYDJ-HNNXBMFYSA-N 0 0 424.457 2.835 50 0 HFAARN CC(C)C[C@H](CCO)CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000095407011 568606295 /nfs/dbraw/zinc/60/62/95/568606295.db2.gz YRHKQZSJTXNJIG-HNNXBMFYSA-N 0 0 420.369 2.525 50 0 HFAARN CC(C)C[C@@H](CCO)CNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000095407010 568606323 /nfs/dbraw/zinc/60/63/23/568606323.db2.gz YRHKQZSJTXNJIG-OAHLLOKOSA-N 0 0 420.369 2.525 50 0 HFAARN COc1ccc(NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)c(Br)n1 ZINC000095430747 568608940 /nfs/dbraw/zinc/60/89/40/568608940.db2.gz KVUMOSPMISELDI-UHFFFAOYSA-N 0 0 424.280 2.543 50 0 HFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(Cc3csc4ccccc34)CC1)CS2 ZINC000040013336 568609437 /nfs/dbraw/zinc/60/94/37/568609437.db2.gz VBAUWIYDLOWASR-LAUBAEHRSA-N 0 0 415.584 3.000 50 0 HFAARN COc1ccc(S(=O)(=O)N2CC(Nc3nn4cc(C(C)(C)C)nc4s3)C2)cc1 ZINC000095443226 568611095 /nfs/dbraw/zinc/61/10/95/568611095.db2.gz WEVDVWNNBMEFGM-UHFFFAOYSA-N 0 0 421.548 2.582 50 0 HFAARN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@]1(C)CCCC[C@H]1C(=O)OC ZINC000095443826 568611199 /nfs/dbraw/zinc/61/11/99/568611199.db2.gz AMUOGDQITOEZDH-SUMWQHHRSA-N 0 0 403.884 2.527 50 0 HFAARN Cc1ccc(NC(=O)N2CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)cc1Cl ZINC000095444039 568611316 /nfs/dbraw/zinc/61/13/16/568611316.db2.gz OOXWZUGVDKGFGP-CQSZACIVSA-N 0 0 423.945 2.811 50 0 HFAARN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000095443824 568611325 /nfs/dbraw/zinc/61/13/25/568611325.db2.gz AMUOGDQITOEZDH-CXAGYDPISA-N 0 0 403.884 2.527 50 0 HFAARN COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)c1 ZINC000020486237 568613266 /nfs/dbraw/zinc/61/32/66/568613266.db2.gz FZPIZSLIPHRMST-UHFFFAOYSA-N 0 0 416.484 2.550 50 0 HFAARN O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1ccc(Br)cc1 ZINC000020488814 568613800 /nfs/dbraw/zinc/61/38/00/568613800.db2.gz GRPNJWGPRKPWHD-UHFFFAOYSA-N 0 0 418.222 2.540 50 0 HFAARN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cc1 ZINC000095450726 568614299 /nfs/dbraw/zinc/61/42/99/568614299.db2.gz SEXYTXIXBDLZRT-KRWDZBQOSA-N 0 0 423.517 2.760 50 0 HFAARN Cc1ccc(NC(=O)CSCC(=O)N2C[C@@H](C)NC(=O)c3ccc(F)cc32)cc1 ZINC000095456162 568617491 /nfs/dbraw/zinc/61/74/91/568617491.db2.gz NABJQGOOWSYEAJ-CQSZACIVSA-N 0 0 415.490 2.971 50 0 HFAARN CCNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000095457911 568618771 /nfs/dbraw/zinc/61/87/71/568618771.db2.gz ZIFUWQISZHSIIJ-FQEVSTJZSA-N 0 0 418.515 2.706 50 0 HFAARN C[C@H]1CN(c2ccc(NC(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)cc2)C[C@H](C)O1 ZINC000095461127 568620492 /nfs/dbraw/zinc/62/04/92/568620492.db2.gz CJXOCXBRZUIDHQ-GJZGRUSLSA-N 0 0 420.473 2.663 50 0 HFAARN O=C(NCCCN1CCOCC1)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000020514702 568622488 /nfs/dbraw/zinc/62/24/88/568622488.db2.gz CXBCDSNCAFOJTK-MHZLTWQESA-N 0 0 410.923 2.693 50 0 HFAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)N(C)C ZINC000095464750 568622685 /nfs/dbraw/zinc/62/26/85/568622685.db2.gz BJGQCSSCFDOGEQ-HNNXBMFYSA-N 0 0 417.337 2.525 50 0 HFAARN CCc1cc(=O)c2cc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)ccc2[nH]1 ZINC000095465050 568623110 /nfs/dbraw/zinc/62/31/10/568623110.db2.gz TXISDAPAMHNCRC-UHFFFAOYSA-N 0 0 400.438 2.953 50 0 HFAARN Cc1ccc(-c2nnc(CCC(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)o2)cc1 ZINC000040111177 568623807 /nfs/dbraw/zinc/62/38/07/568623807.db2.gz URPSJAJFTVCLKY-QFIPXVFZSA-N 0 0 419.441 2.671 50 0 HFAARN O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)Nc1ccc(F)c(Cl)c1 ZINC000020530403 568626824 /nfs/dbraw/zinc/62/68/24/568626824.db2.gz XJPKJWFZSKHKLN-UHFFFAOYSA-N 0 0 423.853 2.628 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)n1 ZINC000095472175 568627192 /nfs/dbraw/zinc/62/71/92/568627192.db2.gz QLGWWPXABLABBT-UHFFFAOYSA-N 0 0 414.487 2.721 50 0 HFAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000095478108 568631529 /nfs/dbraw/zinc/63/15/29/568631529.db2.gz SBEBUFMIVRKATG-HRAATJIYSA-N 0 0 401.894 2.717 50 0 HFAARN O=C(Nc1nccs1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095479816 568632872 /nfs/dbraw/zinc/63/28/72/568632872.db2.gz YKZYXXVDMQYKPA-QMMMGPOBSA-N 0 0 406.265 2.774 50 0 HFAARN CC1(CNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)COC1 ZINC000225384775 568633317 /nfs/dbraw/zinc/63/33/17/568633317.db2.gz UWRUHLVZDAPRLA-UHFFFAOYSA-N 0 0 421.346 2.547 50 0 HFAARN O=C(NCCCN1CCOCC1)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000020645368 568638977 /nfs/dbraw/zinc/63/89/77/568638977.db2.gz FMFTVLYCARDBKC-UHFFFAOYSA-N 0 0 424.526 2.500 50 0 HFAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCN3CCOCC3)c(C)c21 ZINC000020757280 568641516 /nfs/dbraw/zinc/64/15/16/568641516.db2.gz KFNFYLMROBMLAO-UHFFFAOYSA-N 0 0 412.486 2.764 50 0 biogenic HFAARN CC(C)CN(C(=O)COc1cnccc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000225500921 568643892 /nfs/dbraw/zinc/64/38/92/568643892.db2.gz UJCHYWFVFDFYCG-SFHVURJKSA-N 0 0 402.516 2.799 50 0 HFAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)NCc1cccs1 ZINC000020807736 568644062 /nfs/dbraw/zinc/64/40/62/568644062.db2.gz KMOFVOVBDOZINS-UHFFFAOYSA-N 0 0 400.529 2.936 50 0 HFAARN CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCC(c3nc(=O)[nH][nH]3)CC2)cc1 ZINC000225523675 568646867 /nfs/dbraw/zinc/64/68/67/568646867.db2.gz YYOMKAVUKWQZLD-UHFFFAOYSA-N 0 0 414.510 2.772 50 0 HFAARN Cc1ccc2c(CN3CCN(C(=O)c4n[nH]c5c4C[C@@H](C)CC5)CC3)cc(=O)oc2c1 ZINC000020869482 568647456 /nfs/dbraw/zinc/64/74/56/568647456.db2.gz UOOLEDWLXHONHM-HNNXBMFYSA-N 0 0 420.513 2.907 50 0 HFAARN CCOc1cc2c(c3[nH]c(C(=O)N(CC)[C@H]4CCS(=O)(=O)C4)cc31)O[C@H](C)C2 ZINC000225534262 568648267 /nfs/dbraw/zinc/64/82/67/568648267.db2.gz SVRCBUKYLNRBSY-OCCSQVGLSA-N 0 0 406.504 2.539 50 0 HFAARN COC(=O)C1=C(OC(=O)Cc2ccccc2)c2ccccc2S(=O)(=O)N1C(C)C ZINC000020894155 568648614 /nfs/dbraw/zinc/64/86/14/568648614.db2.gz BUAGYUYZEDQHDK-UHFFFAOYSA-N 0 0 415.467 2.727 50 0 HFAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccs1 ZINC000020895557 568648755 /nfs/dbraw/zinc/64/87/55/568648755.db2.gz LBBGCTRGOYRBAJ-INIZCTEOSA-N 0 0 419.484 2.977 50 0 HFAARN CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1NCC(=O)Nc1ccc(F)cc1F ZINC000020992455 568655974 /nfs/dbraw/zinc/65/59/74/568655974.db2.gz JOIFGUSMBGSYQK-UHFFFAOYSA-N 0 0 409.389 2.805 50 0 HFAARN COC(=O)c1ccc(OC)c(CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)c1 ZINC000020996742 568657124 /nfs/dbraw/zinc/65/71/24/568657124.db2.gz UITLFAWAWUIOAV-UHFFFAOYSA-N 0 0 422.478 2.574 50 0 HFAARN COc1cccc(CN2CCCN(CC(=O)Nc3cccc(Cl)c3)S2(=O)=O)c1 ZINC000020996726 568657173 /nfs/dbraw/zinc/65/71/73/568657173.db2.gz WJQSWDZQGICOIK-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN Cc1nn(CCC(=O)NCc2cccs2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000021029575 568658954 /nfs/dbraw/zinc/65/89/54/568658954.db2.gz KRRJBEKBVXPNAZ-UHFFFAOYSA-N 0 0 424.592 2.689 50 0 HFAARN Cc1nn(CCC(=O)NC[C@H](C)c2ccccc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029042 568659005 /nfs/dbraw/zinc/65/90/05/568659005.db2.gz FOWPOMDWHBZZEH-INIZCTEOSA-N 0 0 418.563 2.594 50 0 HFAARN O=C(C[NH2+][C@]1(CO)CCCc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000225648830 568660062 /nfs/dbraw/zinc/66/00/62/568660062.db2.gz DLCXMHNXOTUKBT-BWKNWUBXSA-N 0 0 422.525 2.935 50 0 HFAARN CN(Cc1ccccc1Cl)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000095941994 568662368 /nfs/dbraw/zinc/66/23/68/568662368.db2.gz NXQUYZVOVGSEBK-UHFFFAOYSA-N 0 0 406.891 2.788 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)c1ccnn1C)CC2 ZINC000095943162 568662611 /nfs/dbraw/zinc/66/26/11/568662611.db2.gz XOYZULVQOMJRPU-OAQYLSRUSA-N 0 0 413.499 2.774 50 0 HFAARN Cn1c(CCNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccccc1 ZINC000095943983 568662938 /nfs/dbraw/zinc/66/29/38/568662938.db2.gz YEUBEOLLHILRJV-QGZVFWFLSA-N 0 0 413.522 2.788 50 0 HFAARN CCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3cc(F)ccc32)CC1 ZINC000095948806 568665640 /nfs/dbraw/zinc/66/56/40/568665640.db2.gz DPMQIFDWWGHRTK-UHFFFAOYSA-N 0 0 406.405 2.696 50 0 HFAARN Cc1nc(N2CCN(C(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)CC2)sc1C ZINC000225707269 568666372 /nfs/dbraw/zinc/66/63/72/568666372.db2.gz MNDGNZWYVDDGTH-KRWDZBQOSA-N 0 0 416.444 2.964 50 0 HFAARN Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000021152452 568672549 /nfs/dbraw/zinc/67/25/49/568672549.db2.gz WLRYXWUCYGNQBA-QGZVFWFLSA-N 0 0 412.317 2.900 50 0 HFAARN Cc1cc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)n(-c2ccc(C)cc2)n1 ZINC000095977210 568673693 /nfs/dbraw/zinc/67/36/93/568673693.db2.gz RUPJPZULNFULQI-KRWDZBQOSA-N 0 0 414.412 2.556 50 0 HFAARN COCCN(CCNC(=O)c1cccnc1N1CCCCC1)C(=O)OC(C)(C)C ZINC000095981995 568675342 /nfs/dbraw/zinc/67/53/42/568675342.db2.gz DHRFYYMNCIDUQN-UHFFFAOYSA-N 0 0 406.527 2.685 50 0 HFAARN COCCCN(C(=O)Nc1ccc(C)c(OCC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000095983856 568675830 /nfs/dbraw/zinc/67/58/30/568675830.db2.gz WPMVWGJXGRBYDS-OAHLLOKOSA-N 0 0 420.478 2.696 50 0 HFAARN COc1cccc(C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cccn2)C2CC2)c1 ZINC000095985751 568676277 /nfs/dbraw/zinc/67/62/77/568676277.db2.gz YODWAKXIEPIQKH-FQEVSTJZSA-N 0 0 404.470 2.957 50 0 HFAARN COc1ccc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1Br ZINC000095993318 568678038 /nfs/dbraw/zinc/67/80/38/568678038.db2.gz TTXUHWNJLVJYEF-OCCSQVGLSA-N 0 0 406.342 2.875 50 0 HFAARN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cnc(C)cn3)c2C)c1 ZINC000095998542 568679619 /nfs/dbraw/zinc/67/96/19/568679619.db2.gz FVIAPNLMJXJFCB-FQEVSTJZSA-N 0 0 407.474 2.810 50 0 HFAARN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cc(C)nn3C)c2C)c1 ZINC000095998529 568679692 /nfs/dbraw/zinc/67/96/92/568679692.db2.gz JBDMLYVOKZKDFC-HXUWFJFHSA-N 0 0 409.490 2.753 50 0 HFAARN Cc1cc(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c2ccccc2n1 ZINC000096001784 568681415 /nfs/dbraw/zinc/68/14/15/568681415.db2.gz IXNDJVIMXHTTQK-SFHVURJKSA-N 0 0 404.430 2.540 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(F)cc1)n2C ZINC000021223936 568683626 /nfs/dbraw/zinc/68/36/26/568683626.db2.gz WEIYWVVDCLELIG-UHFFFAOYSA-N 0 0 404.467 2.534 50 0 HFAARN CC[C@H](C(=O)NCc1nnc(C2CCC2)n1C)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000096012081 568684634 /nfs/dbraw/zinc/68/46/34/568684634.db2.gz XAQTZLXSROXXLT-OAHLLOKOSA-N 0 0 414.901 2.657 50 0 HFAARN Cc1ccnc(Nc2cc(NCCNS(=O)(=O)Cc3ccccc3)nc(C)n2)c1 ZINC000096025004 568686264 /nfs/dbraw/zinc/68/62/64/568686264.db2.gz BVMKJFFJGOJNOG-UHFFFAOYSA-N 0 0 412.519 2.764 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021350965 568687770 /nfs/dbraw/zinc/68/77/70/568687770.db2.gz YYKXLBIMOWSWBG-NRFANRHFSA-N 0 0 423.517 2.892 50 0 HFAARN COc1cccc(CNC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c1OC ZINC000021360756 568690065 /nfs/dbraw/zinc/69/00/65/568690065.db2.gz RHQPDVYOFCWQPQ-UHFFFAOYSA-N 0 0 414.506 2.734 50 0 HFAARN O=C(Cn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O)Nc1cccc(F)c1 ZINC000096101842 568691147 /nfs/dbraw/zinc/69/11/47/568691147.db2.gz ATZXMLRYRUCRCX-UHFFFAOYSA-N 0 0 409.352 2.877 50 0 HFAARN COc1ccc(Br)c(C(=O)NCCn2ccnc2-c2ncccn2)c1 ZINC000096103901 568692186 /nfs/dbraw/zinc/69/21/86/568692186.db2.gz DHODPAKACHPDBR-UHFFFAOYSA-N 0 0 402.252 2.541 50 0 HFAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096104389 568692289 /nfs/dbraw/zinc/69/22/89/568692289.db2.gz HDGXDCWOQBDBML-UHFFFAOYSA-N 0 0 411.467 2.826 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cc1 ZINC000096104593 568692300 /nfs/dbraw/zinc/69/23/00/568692300.db2.gz NATDKNCMGRMLLO-UHFFFAOYSA-N 0 0 406.508 2.517 50 0 HFAARN Cc1cccc2sc(NC(=O)C3CCN(c4cc(-n5cncn5)ncn4)CC3)nc21 ZINC000096105239 568692521 /nfs/dbraw/zinc/69/25/21/568692521.db2.gz CEELUIOAJFQCII-UHFFFAOYSA-N 0 0 420.502 2.831 50 0 HFAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096105264 568692658 /nfs/dbraw/zinc/69/26/58/568692658.db2.gz KCGWEUZJVOCGDR-GFCCVEGCSA-N 0 0 401.833 2.705 50 0 HFAARN COc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000096105403 568692778 /nfs/dbraw/zinc/69/27/78/568692778.db2.gz CLJDVDDONAYHKK-UHFFFAOYSA-N 0 0 411.433 2.561 50 0 HFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2=O)cc1 ZINC000096105536 568692808 /nfs/dbraw/zinc/69/28/08/568692808.db2.gz OZAIHLCDXWNUHM-UHFFFAOYSA-N 0 0 409.461 2.790 50 0 HFAARN CCCCc1ccc(NC(=O)Cn2nc3c(cc2=O)CN(C(=O)OCC)CC3)cc1 ZINC000096105732 568693052 /nfs/dbraw/zinc/69/30/52/568693052.db2.gz XPAQUDNAQYJKCB-UHFFFAOYSA-N 0 0 412.490 2.739 50 0 HFAARN O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000012389986 568693650 /nfs/dbraw/zinc/69/36/50/568693650.db2.gz XNPOADMXEPWXAQ-CQSZACIVSA-N 0 0 416.478 2.512 50 0 HFAARN O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1cc3ccccc3[nH]c1=O)SCC(=O)N2 ZINC000096116748 568696119 /nfs/dbraw/zinc/69/61/19/568696119.db2.gz FMMSJQISCWRHNH-QGZVFWFLSA-N 0 0 412.471 2.556 50 0 HFAARN CC(C)[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000096118794 568698300 /nfs/dbraw/zinc/69/83/00/568698300.db2.gz LIMAAOFNAMMPIJ-FQEVSTJZSA-N 0 0 404.474 2.962 50 0 HFAARN O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000226930601 568698893 /nfs/dbraw/zinc/69/88/93/568698893.db2.gz WMLIDXMCWWRYCP-FBAVSBLXSA-N 0 0 407.857 2.771 50 0 HFAARN Cc1nc2cc(NC(=O)[C@H]3CCCN(c4ccc(-n5cncn5)nn4)C3)ccc2s1 ZINC000096124121 568700459 /nfs/dbraw/zinc/70/04/59/568700459.db2.gz ZMNNETSXQJXVFF-AWEZNQCLSA-N 0 0 420.502 2.831 50 0 HFAARN O=C(Nc1ccccc1C(F)(F)F)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124165 568700764 /nfs/dbraw/zinc/70/07/64/568700764.db2.gz PKJVTLOQMWBCBA-UHFFFAOYSA-N 0 0 417.395 2.931 50 0 HFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCCc1nc2ccccc2[nH]1 ZINC000096223150 568706113 /nfs/dbraw/zinc/70/61/13/568706113.db2.gz UHLWRNHCXJYIMC-IBGZPJMESA-N 0 0 419.485 2.513 50 0 HFAARN Cn1c(CNC(=O)CCCCCn2nnc3ccccc3c2=O)nc2ccccc21 ZINC000096224055 568706462 /nfs/dbraw/zinc/70/64/62/568706462.db2.gz IIGOXIRIBPVAFL-UHFFFAOYSA-N 0 0 404.474 2.555 50 0 HFAARN O=C(Cn1cnc2sccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000096231925 568707642 /nfs/dbraw/zinc/70/76/42/568707642.db2.gz WAXLAKDEJQCSHT-UHFFFAOYSA-N 0 0 403.891 2.622 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)n1 ZINC000096232331 568707974 /nfs/dbraw/zinc/70/79/74/568707974.db2.gz LUBYTFOGOPMOEQ-UHFFFAOYSA-N 0 0 400.464 2.735 50 0 HFAARN C[C@@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCC3)ccc2N1C(=O)C1CC1 ZINC000021530292 568710506 /nfs/dbraw/zinc/71/05/06/568710506.db2.gz BYABTVHSGUXXJY-CQSZACIVSA-N 0 0 404.532 2.597 50 0 HFAARN CSc1cccc(NC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)c1 ZINC000021531290 568711034 /nfs/dbraw/zinc/71/10/34/568711034.db2.gz OUNWDUZPBSKSNF-UHFFFAOYSA-N 0 0 405.545 2.800 50 0 HFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)cc1 ZINC000024994771 568711826 /nfs/dbraw/zinc/71/18/26/568711826.db2.gz MVNMSEXGIRQHSU-UHFFFAOYSA-N 0 0 416.499 2.775 50 0 HFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)NC1CCCCC1 ZINC000021535697 568711911 /nfs/dbraw/zinc/71/19/11/568711911.db2.gz KGDJUUJNLQUKQJ-HXUWFJFHSA-N 0 0 421.563 2.713 50 0 HFAARN COc1ccc(CCNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1OC ZINC000000851394 568712411 /nfs/dbraw/zinc/71/24/11/568712411.db2.gz OZSMCCVSBNJGFK-FQEVSTJZSA-N 0 0 410.470 2.683 50 0 biogenic HFAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21 ZINC000021537152 568712380 /nfs/dbraw/zinc/71/23/80/568712380.db2.gz OLVQJFTYRRAYOG-UHFFFAOYSA-N 0 0 407.455 2.824 50 0 HFAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)N1CCc2ccccc2C1 ZINC000021537390 568712490 /nfs/dbraw/zinc/71/24/90/568712490.db2.gz LNVWFFFRRAXLGA-UHFFFAOYSA-N 0 0 417.494 2.762 50 0 HFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)N3CCCC[C@H]3C)n2)cc1 ZINC000021537290 568712506 /nfs/dbraw/zinc/71/25/06/568712506.db2.gz YEPUITXVKBNYJL-CYBMUJFWSA-N 0 0 413.503 2.586 50 0 HFAARN C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCc4cccc(Cl)c4)c3=O)s2)C1 ZINC000021537528 568712736 /nfs/dbraw/zinc/71/27/36/568712736.db2.gz ILOPXCHSIWJYTG-LBPRGKRZSA-N 0 0 417.922 2.971 50 0 HFAARN C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccnc1Cl ZINC000021601855 568723012 /nfs/dbraw/zinc/72/30/12/568723012.db2.gz IRSNVIARLNOSGK-CSNVJCEJSA-N 0 0 419.909 2.938 50 0 HFAARN CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)CCCC2 ZINC000021602476 568723093 /nfs/dbraw/zinc/72/30/93/568723093.db2.gz CIWGLULPGMIHCT-JTQLQIEISA-N 0 0 409.508 2.755 50 0 HFAARN CCOC1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000096309331 568723555 /nfs/dbraw/zinc/72/35/55/568723555.db2.gz RXHLCFWRWYNHAY-YFHOEESVSA-N 0 0 418.515 2.799 50 0 HFAARN O=C(c1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CCOCC1 ZINC000000869864 568725851 /nfs/dbraw/zinc/72/58/51/568725851.db2.gz PZJJXAWMWWLXRN-UHFFFAOYSA-N 0 0 411.771 2.936 50 0 HFAARN CC[C@@H](C)NC(=O)N1CCCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1 ZINC000021647428 568728376 /nfs/dbraw/zinc/72/83/76/568728376.db2.gz IQKCPTXBBSKXST-MRXNPFEDSA-N 0 0 406.552 2.866 50 0 HFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCCc1cccs1 ZINC000021649816 568728766 /nfs/dbraw/zinc/72/87/66/568728766.db2.gz OGPMZQFVIUGJAD-UHFFFAOYSA-N 0 0 419.506 2.632 50 0 HFAARN O=C(Cn1cnc2onc(-c3ccccc3F)c2c1=O)NCCCc1ccccc1 ZINC000021650004 568728900 /nfs/dbraw/zinc/72/89/00/568728900.db2.gz MVHVZRSVIZHFCD-UHFFFAOYSA-N 0 0 406.417 2.940 50 0 HFAARN CCn1c(=O)c(N2CCN(C(=O)Nc3cccc(SC)c3)CC2)nc2cccnc21 ZINC000096321664 568729319 /nfs/dbraw/zinc/72/93/19/568729319.db2.gz ORCDBSIDPIKGQV-UHFFFAOYSA-N 0 0 424.530 2.887 50 0 HFAARN COC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1NC(=O)c1ccccc1OC ZINC000000872088 568730430 /nfs/dbraw/zinc/73/04/30/568730430.db2.gz VBQVHHODYUMKMU-UHFFFAOYSA-N 0 0 418.471 2.576 50 0 HFAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000005792138 568733993 /nfs/dbraw/zinc/73/39/93/568733993.db2.gz IQFYKNCBRLASSA-AVRDEDQJSA-N 0 0 413.424 2.926 50 0 HFAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000005792171 568734007 /nfs/dbraw/zinc/73/40/07/568734007.db2.gz ACXMLJFSBSSYSM-NRFANRHFSA-N 0 0 415.396 2.963 50 0 HFAARN CCCS(=O)(=O)N1CCc2c(c(-c3nnc(-c4ccc(C)cc4)o3)nn2C)C1 ZINC000096331537 568735971 /nfs/dbraw/zinc/73/59/71/568735971.db2.gz VLNHGMABYZFUEW-UHFFFAOYSA-N 0 0 401.492 2.543 50 0 HFAARN Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1C ZINC000245230585 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O=C(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000031534893 568927752 /nfs/dbraw/zinc/92/77/52/568927752.db2.gz WDPNTQBFFVNSHP-UHFFFAOYSA-N 0 0 414.468 2.691 50 0 HFAARN O=C(COc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1)NC1CCCC1 ZINC000016623223 568928291 /nfs/dbraw/zinc/92/82/91/568928291.db2.gz HBXKMBAQBAMMHW-UHFFFAOYSA-N 0 0 423.922 2.651 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cn3c(C)c(C)oc3=S)CC2)cc1 ZINC000012740343 568928640 /nfs/dbraw/zinc/92/86/40/568928640.db2.gz ZARMXXJZDDBJLL-UHFFFAOYSA-N 0 0 411.549 2.790 50 0 HFAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1c(C)nc[nH]c1=O ZINC000031659731 568929111 /nfs/dbraw/zinc/92/91/11/568929111.db2.gz DYOXVUZPGSOYSY-UHFFFAOYSA-N 0 0 411.289 2.805 50 0 HFAARN C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012741844 568929912 /nfs/dbraw/zinc/92/99/12/568929912.db2.gz WNPHVSRMRVOIAW-ZDUSSCGKSA-N 0 0 411.389 2.967 50 0 HFAARN CCOc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773798 568930862 /nfs/dbraw/zinc/93/08/62/568930862.db2.gz WSRKDOLWINCZME-VQTJNVASSA-N 0 0 406.548 2.622 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)CCNC(=O)C(C)(C)C)c1 ZINC000012746189 568931399 /nfs/dbraw/zinc/93/13/99/568931399.db2.gz WKZJLRLPGWPDOQ-UHFFFAOYSA-N 0 0 411.568 2.825 50 0 HFAARN Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NCCCn4ccnc4)n3)cc2)n1 ZINC000031808951 568931820 /nfs/dbraw/zinc/93/18/20/568931820.db2.gz MZBDWBQFMAZQSI-UHFFFAOYSA-N 0 0 405.462 2.615 50 0 HFAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C1 ZINC000004031513 568934648 /nfs/dbraw/zinc/93/46/48/568934648.db2.gz QDLLKLBXZCOVHT-CYBMUJFWSA-N 0 0 421.544 2.541 50 0 HFAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1cnn(-c3cccc(F)c3)c1)C(=O)C2 ZINC000670456483 568935023 /nfs/dbraw/zinc/93/50/23/568935023.db2.gz YSWXIUWUBHZHAY-FOIQADDNSA-N 0 0 405.495 2.826 50 0 HFAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)c1 ZINC000004061365 568937176 /nfs/dbraw/zinc/93/71/76/568937176.db2.gz GILMGZXOYNNYAR-UHFFFAOYSA-N 0 0 405.483 2.835 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccsc2)cc1 ZINC000008059536 568971047 /nfs/dbraw/zinc/97/10/47/568971047.db2.gz QABCZTGVWAGMQI-UHFFFAOYSA-N 0 0 402.563 2.599 50 0 HFAARN CCOC(=O)CN1C(=O)O[C@H](c2ccc(OC)cc2)[C@]1(O)c1ccc(OC)cc1 ZINC000001428098 568939625 /nfs/dbraw/zinc/93/96/25/568939625.db2.gz KKWXNWDLKUVSQD-TZIWHRDSSA-N 0 0 401.415 2.606 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012750410 568940356 /nfs/dbraw/zinc/94/03/56/568940356.db2.gz MSBZWSBMLQBJSE-UHFFFAOYSA-N 0 0 413.503 2.800 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC ZINC000012752750 568941456 /nfs/dbraw/zinc/94/14/56/568941456.db2.gz ODUZEFXRVHITJR-LRDDRELGSA-N 0 0 418.943 2.688 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012753524 568941939 /nfs/dbraw/zinc/94/19/39/568941939.db2.gz AYMBGKPFVYWXBW-UHFFFAOYSA-N 0 0 401.463 2.762 50 0 HFAARN CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](CC(C)C)C(=O)OC)nc21 ZINC000004092505 568942366 /nfs/dbraw/zinc/94/23/66/568942366.db2.gz QDDJASDSINIJDT-CQSZACIVSA-N 0 0 415.519 2.795 50 0 biogenic HFAARN CC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000004099699 568942579 /nfs/dbraw/zinc/94/25/79/568942579.db2.gz WVGZHHUXTMLFKH-UHFFFAOYSA-N 0 0 403.523 2.896 50 0 HFAARN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012755442 568942639 /nfs/dbraw/zinc/94/26/39/568942639.db2.gz LOHGMAWETSTUQG-KRWDZBQOSA-N 0 0 401.551 2.882 50 0 HFAARN CC(=O)N[C@@H](CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000012755086 568942712 /nfs/dbraw/zinc/94/27/12/568942712.db2.gz WIUBTNFVWGLZAT-SFHVURJKSA-N 0 0 412.877 2.802 50 0 HFAARN COc1cc2c(cc1OC)n(CC(=O)C(C)(C)C)c(=O)n(Cc1ccccc1)c2=O ZINC000004104041 568942889 /nfs/dbraw/zinc/94/28/89/568942889.db2.gz OFMWIGLPSDXWMW-UHFFFAOYSA-N 0 0 410.470 2.844 50 0 HFAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(F)c1)C[C@H](C)S2 ZINC000004108065 568943845 /nfs/dbraw/zinc/94/38/45/568943845.db2.gz BXSOATFLEFEAAS-NSHDSACASA-N 0 0 409.508 2.796 50 0 HFAARN CC(=O)NCC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000004128322 568945154 /nfs/dbraw/zinc/94/51/54/568945154.db2.gz XNECWZIOGRSPFU-UHFFFAOYSA-N 0 0 405.564 2.975 50 0 HFAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Cl ZINC000012762289 568946151 /nfs/dbraw/zinc/94/61/51/568946151.db2.gz IUTOKMUOCJDMLP-UHFFFAOYSA-N 0 0 421.906 2.735 50 0 HFAARN CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(OCC)cc3)n2n1 ZINC000004165139 568947918 /nfs/dbraw/zinc/94/79/18/568947918.db2.gz ZQBITQQCMLJPKV-UHFFFAOYSA-N 0 0 400.460 2.804 50 0 HFAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)NC[C@H]4CCCO4)nn32)cc1 ZINC000004165095 568947966 /nfs/dbraw/zinc/94/79/66/568947966.db2.gz BJGXSYJDHZJLQC-MRXNPFEDSA-N 0 0 413.503 2.577 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000012765873 568948305 /nfs/dbraw/zinc/94/83/05/568948305.db2.gz VUUFEPDZFUAUPB-UHFFFAOYSA-N 0 0 421.494 2.533 50 0 HFAARN Cc1cc(F)ccc1S(=O)(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000012766186 568948386 /nfs/dbraw/zinc/94/83/86/568948386.db2.gz NGCXRBZYTDTFRV-AWEZNQCLSA-N 0 0 403.522 2.574 50 0 HFAARN CCOC(=O)CS[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 ZINC000004174577 568948428 /nfs/dbraw/zinc/94/84/28/568948428.db2.gz XAXRPDNHXBSFEP-JTQLQIEISA-N 0 0 411.505 2.846 50 0 HFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000012766614 568948713 /nfs/dbraw/zinc/94/87/13/568948713.db2.gz XFSWVKNDKHCBFS-LBPRGKRZSA-N 0 0 421.906 2.968 50 0 HFAARN CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000015548288 568949018 /nfs/dbraw/zinc/94/90/18/568949018.db2.gz LVCIOSRNSSMZGX-IBGZPJMESA-N 0 0 403.504 2.508 50 0 HFAARN Cn1ccnc1[C@](O)(CCNC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000059300759 568950193 /nfs/dbraw/zinc/95/01/93/568950193.db2.gz GFSALTQLQXPTMN-ZWNOBZJWSA-N 0 0 402.339 2.544 50 0 HFAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1c2cccc3cccc(c23)S1(=O)=O ZINC000004195158 568951097 /nfs/dbraw/zinc/95/10/97/568951097.db2.gz VKLHDPLLVWGAIP-ZDUSSCGKSA-N 0 0 410.451 2.782 50 0 HFAARN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(OCC1(CC)COC1)C(F)(F)F ZINC000004208126 568951743 /nfs/dbraw/zinc/95/17/43/568951743.db2.gz GQCGTXANJCXGEY-SFHVURJKSA-N 0 0 419.396 2.690 50 0 biogenic HFAARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=CC=NN12)c1ccccc1 ZINC000229614180 568952324 /nfs/dbraw/zinc/95/23/24/568952324.db2.gz ZVTIOTZDNPMRGF-MANSERQUSA-N 0 0 405.841 2.937 50 0 HFAARN O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)[C@H](c1cccnc1)N1CCOCC1 ZINC000670462253 568952562 /nfs/dbraw/zinc/95/25/62/568952562.db2.gz TVFSBPBZWWWELQ-FQEVSTJZSA-N 0 0 413.909 2.734 50 0 HFAARN CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)OC(C)(C)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000229647361 568952891 /nfs/dbraw/zinc/95/28/91/568952891.db2.gz YKXAFAZSOADFAX-ZCNNSNEGSA-N 0 0 418.449 2.955 50 0 HFAARN Cc1ccc2nc(NC(=O)CSc3nnc4[nH]c(=O)c(C)c(C)n43)sc2c1 ZINC000004250418 568954681 /nfs/dbraw/zinc/95/46/81/568954681.db2.gz OSBIWHLYGLSJLZ-UHFFFAOYSA-N 0 0 400.489 2.683 50 0 HFAARN COc1ccc(-c2nn3c(nnc3SCC(=O)Nc3ccccc3)[nH]c2=O)cc1 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COCCn1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc2c1=O ZINC000071285199 569252220 /nfs/dbraw/zinc/25/22/20/569252220.db2.gz LOALJPCYAMMEBF-UHFFFAOYSA-N 0 0 403.442 2.540 50 0 HFAARN Cc1nn2cnnc2c(C)c1CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000071287400 569252337 /nfs/dbraw/zinc/25/23/37/569252337.db2.gz JCJWSEYDWVDIPO-UHFFFAOYSA-N 0 0 413.909 2.837 50 0 HFAARN O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1ccc(F)cc1 ZINC000071287550 569252365 /nfs/dbraw/zinc/25/23/65/569252365.db2.gz IRVAYTGLXHWXFE-UHFFFAOYSA-N 0 0 404.873 2.627 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cc(F)c(F)c(F)c1 ZINC000071287611 569252386 /nfs/dbraw/zinc/25/23/86/569252386.db2.gz KBWZJVJIMVZUHW-UHFFFAOYSA-N 0 0 410.371 2.713 50 0 HFAARN CCn1c2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2[nH]c(=O)c1=O ZINC000010026068 569252917 /nfs/dbraw/zinc/25/29/17/569252917.db2.gz VKTIDRBRJYMXOO-UHFFFAOYSA-N 0 0 403.891 2.885 50 0 HFAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000010029480 569252992 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/nfs/dbraw/zinc/27/48/72/569274872.db2.gz NJVRUKYINIUSLQ-UHFFFAOYSA-N 0 0 401.488 2.975 50 0 HFAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC1(C(N)=O)CCOCC1 ZINC000170634893 569276451 /nfs/dbraw/zinc/27/64/51/569276451.db2.gz UZTVMFUSGKZTAN-UHFFFAOYSA-N 0 0 401.410 2.635 50 0 HFAARN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCCC1 ZINC000000814609 569276725 /nfs/dbraw/zinc/27/67/25/569276725.db2.gz KYFKMZXIPLVWIO-UHFFFAOYSA-N 0 0 400.928 2.952 50 0 HFAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCc1ccccc1 ZINC000001049480 569276961 /nfs/dbraw/zinc/27/69/61/569276961.db2.gz KOSYCAAAVGRCMV-UHFFFAOYSA-N 0 0 408.907 2.820 50 0 HFAARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(Cc3ccccc3)s2)C1 ZINC000006747506 569280128 /nfs/dbraw/zinc/28/01/28/569280128.db2.gz VSNFHYDZFSZMMM-MRXNPFEDSA-N 0 0 422.576 2.909 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)cc1 ZINC000002091880 569280445 /nfs/dbraw/zinc/28/04/45/569280445.db2.gz GZCZCIVJJKVYFL-HNNXBMFYSA-N 0 0 415.467 2.991 50 0 biogenic HFAARN 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Cc1cccc(C(=O)Nc2nccnc2C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1 ZINC000037574125 569307419 /nfs/dbraw/zinc/30/74/19/569307419.db2.gz RSVMXPQMJPSPSJ-UHFFFAOYSA-N 0 0 423.517 2.804 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)c2ccccn2)cc1 ZINC000007777784 569308705 /nfs/dbraw/zinc/30/87/05/569308705.db2.gz LDMNWPMVIMROCI-OAHLLOKOSA-N 0 0 403.504 2.562 50 0 HFAARN CCN(CC)C(=S)SCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000007786682 569310393 /nfs/dbraw/zinc/31/03/93/569310393.db2.gz DWMRUJXYNOQXHL-OAHLLOKOSA-N 0 0 406.639 2.695 50 0 HFAARN COc1cccc(CS(=O)(=O)[C@@H]2[C@H](O)CC[C@]3(C)[C@H](OC(C)=O)CC[C@]23C)c1 ZINC000252627654 569310939 /nfs/dbraw/zinc/31/09/39/569310939.db2.gz RYUPDZNILOBBPL-PFAUGDHASA-N 0 0 410.532 2.871 50 0 HFAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1 ZINC000007798049 569311167 /nfs/dbraw/zinc/31/11/67/569311167.db2.gz KXKHDGKSCOTAAW-KRWDZBQOSA-N 0 0 406.529 2.746 50 0 HFAARN CCCn1c2nc(CC(C)C)nc(SC[C@@H]3CCCCO3)c2c(=O)n(C)c1=O ZINC000007814692 569312585 /nfs/dbraw/zinc/31/25/85/569312585.db2.gz MZSDLMVQVIVYAL-AWEZNQCLSA-N 0 0 406.552 2.760 50 0 HFAARN CCCCN(C(=O)c1cc2c(s1)CCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000007814259 569312692 /nfs/dbraw/zinc/31/26/92/569312692.db2.gz JGKMBUWPKHZGEL-UHFFFAOYSA-N 0 0 404.536 2.916 50 0 HFAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000007816608 569312760 /nfs/dbraw/zinc/31/27/60/569312760.db2.gz DMXOIHFJZJCNIV-VIFPVBQESA-N 0 0 405.856 2.634 50 0 HFAARN Cc1nc2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCc3ccccc3)cc2nc1C ZINC000007840587 569313992 /nfs/dbraw/zinc/31/39/92/569313992.db2.gz SLIZAHWIHSFLNN-OAHLLOKOSA-N 0 0 406.442 2.818 50 0 HFAARN COc1ccc(OC)c(C=c2sc3nc4cc(Br)cnc4n3c2=O)c1 ZINC000252671548 569319423 /nfs/dbraw/zinc/31/94/23/569319423.db2.gz NNCZWURXCNJEOW-UHFFFAOYSA-N 0 0 418.272 2.632 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252674305 569319494 /nfs/dbraw/zinc/31/94/94/569319494.db2.gz SASHTONFJSWURO-FQEVSTJZSA-N 0 0 422.481 2.937 50 0 HFAARN O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000003009031 569322744 /nfs/dbraw/zinc/32/27/44/569322744.db2.gz GSCZBXBLUASLCY-UHFFFAOYSA-N 0 0 417.874 2.972 50 0 HFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCSCC3)c21 ZINC000002261092 569325223 /nfs/dbraw/zinc/32/52/23/569325223.db2.gz PFTWVLPQHVIVLV-UHFFFAOYSA-N 0 0 405.520 2.659 50 0 HFAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000004064447 569356908 /nfs/dbraw/zinc/35/69/08/569356908.db2.gz AZCNJEFLSOQGST-DJBGFQDESA-N 0 0 404.503 2.641 50 0 biogenic HFAARN CCC(CC)(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)OC ZINC000253392418 569364964 /nfs/dbraw/zinc/36/49/64/569364964.db2.gz CNGQOPGYKBAJRK-UHFFFAOYSA-N 0 0 404.488 2.949 50 0 HFAARN COc1ccccc1N1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CC1 ZINC000253407889 569366214 /nfs/dbraw/zinc/36/62/14/569366214.db2.gz WWKOVUHQRJZEGM-INIZCTEOSA-N 0 0 417.893 2.874 50 0 HFAARN COc1ccccc1N1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CC1 ZINC000253407891 569366232 /nfs/dbraw/zinc/36/62/32/569366232.db2.gz WWKOVUHQRJZEGM-MRXNPFEDSA-N 0 0 417.893 2.874 50 0 HFAARN O=C(N[C@H](CO)Cc1ccccc1)c1cn(Cc2ccncc2)c(=O)c2ccccc12 ZINC000253407922 569366319 /nfs/dbraw/zinc/36/63/19/569366319.db2.gz KHFYABTURQKHCG-FQEVSTJZSA-N 0 0 413.477 2.778 50 0 biogenic HFAARN Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1 ZINC000253426846 569368272 /nfs/dbraw/zinc/36/82/72/569368272.db2.gz BEWLITYOGPUGQS-INIZCTEOSA-N 0 0 405.495 2.971 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F ZINC000253431135 569369683 /nfs/dbraw/zinc/36/96/83/569369683.db2.gz UBRVAJZEYDIJIV-MRXNPFEDSA-N 0 0 405.495 2.971 50 0 HFAARN O=C(C[C@]1(O)c2ccccc2N(CN2CCCCC2)C1=O)c1ccc2c(c1)OCCO2 ZINC000002354007 569385233 /nfs/dbraw/zinc/38/52/33/569385233.db2.gz FNVZBQPFSSJPGE-DEOSSOPVSA-N 0 0 422.481 2.708 50 0 HFAARN Cc1csc(CCNC(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)n1 ZINC000252489112 569387537 /nfs/dbraw/zinc/38/75/37/569387537.db2.gz JFSQVGTUBHYAGM-INIZCTEOSA-N 0 0 408.483 2.983 50 0 HFAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)cc1 ZINC000002375333 569389386 /nfs/dbraw/zinc/38/93/86/569389386.db2.gz OETHVCHBNOKNNP-UHFFFAOYSA-N 0 0 424.530 2.786 50 0 HFAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1cccc(F)c1 ZINC000055225315 569394767 /nfs/dbraw/zinc/39/47/67/569394767.db2.gz YQPAUKJIBUJQGE-FPOVZHCZSA-N 0 0 422.460 2.557 50 0 HFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000225420516 569395170 /nfs/dbraw/zinc/39/51/70/569395170.db2.gz MUORCAQIJUINOM-AEFFLSMTSA-N 0 0 418.497 2.744 50 0 biogenic HFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002401580 569395570 /nfs/dbraw/zinc/39/55/70/569395570.db2.gz XRYKITCNYWHEGN-IBGZPJMESA-N 0 0 401.894 2.956 50 0 HFAARN COc1ccc(OC)c(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000002402949 569395782 /nfs/dbraw/zinc/39/57/82/569395782.db2.gz KXKHKZJGYYECTF-UHFFFAOYSA-N 0 0 404.370 2.932 50 0 aggregator HFAARN CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2CCO)c2cc(OC)ccc2n1C ZINC000002408648 569396346 /nfs/dbraw/zinc/39/63/46/569396346.db2.gz UVSIRHAPKJJXPK-OAHLLOKOSA-N 0 0 417.506 2.539 50 0 HFAARN CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(F)cc4)sc3nc2=O)cc1 ZINC000002423109 569398245 /nfs/dbraw/zinc/39/82/45/569398245.db2.gz ASBPIRYEHVHDQA-UYRXBGFRSA-N 0 0 423.469 2.578 50 0 HFAARN Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)Nc2c(C)cccc2C)n1 ZINC000002437626 569399930 /nfs/dbraw/zinc/39/99/30/569399930.db2.gz AFSSXJXJTNEKBW-UHFFFAOYSA-N 0 0 417.469 2.883 50 0 HFAARN COC(=O)Cn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCCCC3 ZINC000002438911 569400098 /nfs/dbraw/zinc/40/00/98/569400098.db2.gz MLDUQTZBGICTFS-UHFFFAOYSA-N 0 0 412.511 2.909 50 0 HFAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1 ZINC000012694495 569402885 /nfs/dbraw/zinc/40/28/85/569402885.db2.gz RLJOACOSUXMZBV-GASCZTMLSA-N 0 0 424.453 2.737 50 0 HFAARN O=C(COC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCNC1=O ZINC000012728873 569402969 /nfs/dbraw/zinc/40/29/69/569402969.db2.gz SZGGAHWBZADYEJ-SFQUDFHCSA-N 0 0 416.380 2.924 50 0 HFAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccccc3Cl)CN1C(=O)CN(CCO)C2=O ZINC000012872166 569404343 /nfs/dbraw/zinc/40/43/43/569404343.db2.gz GPLXEWDJCRMGFO-HJPURHCSSA-N 0 0 423.900 2.845 50 0 biogenic HFAARN COc1ccccc1NC(=O)N1CCN(c2ccc(-n3nc(C)c(C)c3C)nn2)CC1 ZINC000013009178 569407088 /nfs/dbraw/zinc/40/70/88/569407088.db2.gz BRJAQBKYFNYDSW-UHFFFAOYSA-N 0 0 421.505 2.950 50 0 HFAARN Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C ZINC000013070392 569408599 /nfs/dbraw/zinc/40/85/99/569408599.db2.gz RHLGJGQTKYMMSY-OAHLLOKOSA-N 0 0 404.488 2.770 50 0 HFAARN COCCn1c2c(cccc2F)s/c1=N/C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000013286788 569410529 /nfs/dbraw/zinc/41/05/29/569410529.db2.gz AWJPLSIZPYYKQN-CZIZESTLSA-N 0 0 408.476 2.633 50 0 HFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N=C1c1cccs1 ZINC000013363071 569411994 /nfs/dbraw/zinc/41/19/94/569411994.db2.gz YZEGLJAZZHPQQP-UHFFFAOYSA-N 0 0 409.920 2.501 50 0 HFAARN CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1 ZINC000002457022 569412276 /nfs/dbraw/zinc/41/22/76/569412276.db2.gz NLAYFBUNYJAJQI-UHFFFAOYSA-N 0 0 410.521 2.750 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccccc2Br)c1 ZINC000007957342 569414218 /nfs/dbraw/zinc/41/42/18/569414218.db2.gz KTPLTLYIHNEKIF-UHFFFAOYSA-N 0 0 412.309 2.750 50 0 HFAARN COc1ccc(OC)c(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000328593017 569415485 /nfs/dbraw/zinc/41/54/85/569415485.db2.gz HLNUOWKOJDPIRV-UHFFFAOYSA-N 0 0 406.504 2.645 50 0 HFAARN O=C(Nc1ccccn1)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000328598911 569416265 /nfs/dbraw/zinc/41/62/65/569416265.db2.gz OYLNILBERYFHTI-UHFFFAOYSA-N 0 0 411.487 2.625 50 0 HFAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cc(C)cc(C)c1 ZINC000019420245 569420748 /nfs/dbraw/zinc/42/07/48/569420748.db2.gz WZGMGYRMWBNKGR-DEOSSOPVSA-N 0 0 422.481 2.972 50 0 HFAARN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000078934640 569421811 /nfs/dbraw/zinc/42/18/11/569421811.db2.gz ACRITGNGTIKEJB-LSDHHAIUSA-N 0 0 423.945 2.862 50 0 HFAARN O=C(Nc1ccccc1OCC(=O)N1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000079014536 569423673 /nfs/dbraw/zinc/42/36/73/569423673.db2.gz LFAWQVVCMCYSPC-KRWDZBQOSA-N 0 0 411.458 2.570 50 0 HFAARN CC(C)n1cnnc1CCNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000079021128 569424348 /nfs/dbraw/zinc/42/43/48/569424348.db2.gz ACSRGWBPYCWAOI-IAGOWNOFSA-N 0 0 400.527 2.832 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc43)CC2)c1C ZINC000019603031 569424935 /nfs/dbraw/zinc/42/49/35/569424935.db2.gz LPYBJJIUKRCYRD-UHFFFAOYSA-N 0 0 418.497 2.954 50 0 HFAARN COC(=O)c1cc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl ZINC000079058170 569426022 /nfs/dbraw/zinc/42/60/22/569426022.db2.gz JJIIWCHGGMEYIP-UHFFFAOYSA-N 0 0 414.892 2.505 50 0 HFAARN COCCCN(C(=O)[C@H](C)n1cccn1)c1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC000079061376 569426337 /nfs/dbraw/zinc/42/63/37/569426337.db2.gz AXZHKDIHPXHGAN-MSOLQXFVSA-N 0 0 424.505 2.910 50 0 HFAARN O=C(CN1C[C@H](CO)Oc2ccccc21)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000079106772 569427685 /nfs/dbraw/zinc/42/76/85/569427685.db2.gz QWTVNCSTKHGUHW-QGZVFWFLSA-N 0 0 412.877 2.783 50 0 HFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(C)c3)C2)c1 ZINC000079112373 569428244 /nfs/dbraw/zinc/42/82/44/569428244.db2.gz VTCDKEQIGIOGMH-IBGZPJMESA-N 0 0 421.544 2.867 50 0 HFAARN Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)oc1c2C ZINC000079192742 569429348 /nfs/dbraw/zinc/42/93/48/569429348.db2.gz AMVVBGZZGICQKB-AWEZNQCLSA-N 0 0 417.483 2.700 50 0 biogenic HFAARN O=c1ccc(-c2cccs2)nn1CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000079483743 569431998 /nfs/dbraw/zinc/43/19/98/569431998.db2.gz REEXDHFNMPPMFV-UHFFFAOYSA-N 0 0 414.506 2.765 50 0 HFAARN Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3n[nH]c(Cc4ccc(F)cc4)n3)C2)n1 ZINC000079483689 569432005 /nfs/dbraw/zinc/43/20/05/569432005.db2.gz WVGNPZSMLNNYFI-INIZCTEOSA-N 0 0 409.469 2.797 50 0 HFAARN COc1ccc(Cc2nc(NC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)n[nH]2)cc1 ZINC000079496902 569432830 /nfs/dbraw/zinc/43/28/30/569432830.db2.gz OHOMAYSPSIKFDG-UHFFFAOYSA-N 0 0 421.505 2.666 50 0 HFAARN CNS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)ccc1C ZINC000010220092 571047396 /nfs/dbraw/zinc/04/73/96/571047396.db2.gz PRVAUYSMYZYVQU-LLVKDONJSA-N 0 0 405.501 2.588 50 0 HFAARN CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCSCC4)ccn3n2)cc1 ZINC000067262485 571061737 /nfs/dbraw/zinc/06/17/37/571061737.db2.gz BPIBSCKZGUPBBT-UHFFFAOYSA-N 0 0 412.515 2.527 50 0 HFAARN CCCCNC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1OC)CC2 ZINC000067291239 571067425 /nfs/dbraw/zinc/06/74/25/571067425.db2.gz YWONFLSFWSDDLF-UHFFFAOYSA-N 0 0 416.547 2.758 50 0 HFAARN NC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1 ZINC000067299207 571072944 /nfs/dbraw/zinc/07/29/44/571072944.db2.gz CZXXLEZJOCYRPI-LVWGJNHUSA-N 0 0 403.394 2.993 50 0 HFAARN Cc1nc(-c2ccccc2)n(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)c1CCO ZINC000067300366 571073595 /nfs/dbraw/zinc/07/35/95/571073595.db2.gz SAFLSQQONDVWIB-OAQYLSRUSA-N 0 0 403.482 2.557 50 0 HFAARN Cc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)cc1 ZINC000067300410 571073742 /nfs/dbraw/zinc/07/37/42/571073742.db2.gz VZYQYKJQOILGRP-QGZVFWFLSA-N 0 0 405.498 2.939 50 0 HFAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000038731426 571075631 /nfs/dbraw/zinc/07/56/31/571075631.db2.gz AMCKHTOKKWHMMO-HZPDHXFCSA-N 0 0 408.479 2.943 50 0 HFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NCCC2=CCCCC2)c(=O)c1CCO ZINC000067316704 571075774 /nfs/dbraw/zinc/07/57/74/571075774.db2.gz SWTKQWHAYXFENT-UHFFFAOYSA-N 0 0 413.493 2.899 50 0 HFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)N[C@H]2CCc3ccccc32)c(=O)c1CCO ZINC000067316904 571075789 /nfs/dbraw/zinc/07/57/89/571075789.db2.gz MVPBSAVCYSMOMQ-NRFANRHFSA-N 0 0 421.472 2.696 50 0 HFAARN O=C(Cc1csc(NC(=O)c2ccsc2)n1)N1CCN(c2ccccn2)CC1 ZINC000038739744 571075933 /nfs/dbraw/zinc/07/59/33/571075933.db2.gz QNMZQBQWMDSYIO-UHFFFAOYSA-N 0 0 413.528 2.743 50 0 HFAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)cc2F)c1N ZINC000067334648 571079378 /nfs/dbraw/zinc/07/93/78/571079378.db2.gz XGBXHRCLAJMCKY-UHFFFAOYSA-N 0 0 400.389 2.592 50 0 HFAARN Cc1cccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)c1 ZINC000067336392 571080080 /nfs/dbraw/zinc/08/00/80/571080080.db2.gz RCXIEAQBGSDOJQ-UHFFFAOYSA-N 0 0 409.515 2.527 50 0 HFAARN CCOc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(OC)cc3)CCC2=O)cc1 ZINC000067336741 571080088 /nfs/dbraw/zinc/08/00/88/571080088.db2.gz JKWWIODGBNXCGO-UHFFFAOYSA-N 0 0 424.457 2.650 50 0 HFAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCS1)N1CCN(c2ccccc2)CC1 ZINC000067350150 571081716 /nfs/dbraw/zinc/08/17/16/571081716.db2.gz QZFTWNLZJFAUKP-UHFFFAOYSA-N 0 0 406.511 2.855 50 0 HFAARN COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000008569721 571082071 /nfs/dbraw/zinc/08/20/71/571082071.db2.gz NJUFVWSNGZOHFK-GOSISDBHSA-N 0 0 410.409 2.757 50 0 HFAARN O=C(Cn1ccn(-c2ccc(F)cc2)c(=O)c1=O)Nc1ccccc1C(F)(F)F ZINC000008588264 571084118 /nfs/dbraw/zinc/08/41/18/571084118.db2.gz WVEBAXHOXWMVLG-UHFFFAOYSA-N 0 0 407.323 2.796 50 0 HFAARN COc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)c(OC)c1 ZINC000008588606 571084500 /nfs/dbraw/zinc/08/45/00/571084500.db2.gz BPNADSINARODAX-UHFFFAOYSA-N 0 0 423.444 2.769 50 0 HFAARN CS(=O)(=O)N1CC[C@H](C(=O)NCCSc2ccccc2)Oc2ccccc21 ZINC000038836602 571085948 /nfs/dbraw/zinc/08/59/48/571085948.db2.gz UZKWIQBBYVBTHU-GOSISDBHSA-N 0 0 406.529 2.512 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038849427 571087032 /nfs/dbraw/zinc/08/70/32/571087032.db2.gz KGGMIAGOIRXGPX-QGZVFWFLSA-N 0 0 410.879 2.904 50 0 HFAARN CC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000008599320 571089085 /nfs/dbraw/zinc/08/90/85/571089085.db2.gz LTHHJCJAIUXTNT-UHFFFAOYSA-N 0 0 415.334 2.898 50 0 HFAARN CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000008604267 571091672 /nfs/dbraw/zinc/09/16/72/571091672.db2.gz VWPRALBRMUWYIV-UHFFFAOYSA-N 0 0 417.487 2.562 50 0 HFAARN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008608068 571093085 /nfs/dbraw/zinc/09/30/85/571093085.db2.gz ZFBLWDHUZMRKLW-FQEVSTJZSA-N 0 0 421.478 2.544 50 0 HFAARN CC1=NN(Cc2ccc(Cl)c(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000008706123 571103570 /nfs/dbraw/zinc/10/35/70/571103570.db2.gz YJTYEGHMBBHUBP-SNVBAGLBSA-N 0 0 421.288 2.698 50 0 HFAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2c(c1)OCCCO2 ZINC000008707978 571104100 /nfs/dbraw/zinc/10/41/00/571104100.db2.gz DQBBPFNOPYCHKU-UHFFFAOYSA-N 0 0 422.528 2.875 50 0 HFAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)CNC(N)=O ZINC000008708155 571104148 /nfs/dbraw/zinc/10/41/48/571104148.db2.gz ASESLHIZDNBGAS-UHFFFAOYSA-N 0 0 411.893 2.879 50 0 HFAARN O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008707923 571104209 /nfs/dbraw/zinc/10/42/09/571104209.db2.gz JKYHLTHSBCOJOT-GOSISDBHSA-N 0 0 405.454 2.922 50 0 HFAARN CCn1c2ccccc2nc1SCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000008724613 571107626 /nfs/dbraw/zinc/10/76/26/571107626.db2.gz TYWYTOCDJMNURS-OAHLLOKOSA-N 0 0 409.577 2.820 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000008724672 571107759 /nfs/dbraw/zinc/10/77/59/571107759.db2.gz DHEXIJOBLKRGFQ-UHFFFAOYSA-N 0 0 410.879 2.543 50 0 HFAARN COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl ZINC000008728954 571108882 /nfs/dbraw/zinc/10/88/82/571108882.db2.gz CDKVFCIICCUCIM-UHFFFAOYSA-N 0 0 411.911 2.958 50 0 HFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000008734117 571109444 /nfs/dbraw/zinc/10/94/44/571109444.db2.gz IWQNMRGUOWMNBS-OYHNWAKOSA-N 0 0 414.506 2.608 50 0 HFAARN CN1C(=O)C(=C(NCc2ccc(F)cc2)Nc2ccccc2Cl)C(=O)N(C)C1=O ZINC000008757637 571113677 /nfs/dbraw/zinc/11/36/77/571113677.db2.gz QIOCFBSMNQVOQP-UHFFFAOYSA-N 0 0 416.840 2.943 50 0 HFAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008768193 571116012 /nfs/dbraw/zinc/11/60/12/571116012.db2.gz UBMYBIDAEHSJHJ-UHFFFAOYSA-N 0 0 416.499 2.864 50 0 HFAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCc5[nH]cnc5C4)c12)OC(C)(C)CC3 ZINC000008791926 571120103 /nfs/dbraw/zinc/12/01/03/571120103.db2.gz UTPZCMLVVJIVCR-UHFFFAOYSA-N 0 0 423.469 2.892 50 0 biogenic HFAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NC[C@H]3CCCO3)s2)cc1 ZINC000008822388 571121654 /nfs/dbraw/zinc/12/16/54/571121654.db2.gz CTYJCTRYAPVVBZ-CQSZACIVSA-N 0 0 422.532 2.576 50 0 HFAARN CCCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc2C1 ZINC000008840482 571123399 /nfs/dbraw/zinc/12/33/99/571123399.db2.gz JIDMTZZHCUIAGC-UHFFFAOYSA-N 0 0 422.572 2.769 50 0 HFAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000008845782 571125492 /nfs/dbraw/zinc/12/54/92/571125492.db2.gz XVEQFVFMFIXUMX-JLTOFOAXSA-N 0 0 409.467 2.515 50 0 HFAARN C[C@@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Br)cc1 ZINC000008848487 571126016 /nfs/dbraw/zinc/12/60/16/571126016.db2.gz QOSTXQRWYLVUEL-GFCCVEGCSA-N 0 0 416.275 2.992 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1SC ZINC000008862384 571129112 /nfs/dbraw/zinc/12/91/12/571129112.db2.gz UDQSPDIGXRLXHR-UHFFFAOYSA-N 0 0 422.528 2.690 50 0 HFAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCS[C@@H]1c1ccccc1F ZINC000008877783 571130747 /nfs/dbraw/zinc/13/07/47/571130747.db2.gz WHRHAKUVFQAUDE-QGZVFWFLSA-N 0 0 417.491 2.873 50 0 HFAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCS[C@H]1c1ccccc1F ZINC000008877789 571130761 /nfs/dbraw/zinc/13/07/61/571130761.db2.gz WHRHAKUVFQAUDE-KRWDZBQOSA-N 0 0 417.491 2.873 50 0 HFAARN CCCCn1nc(C(=O)OCc2cc3c(cc2Br)OCCO3)ccc1=O ZINC000039572019 571133456 /nfs/dbraw/zinc/13/34/56/571133456.db2.gz GMHIYRGNGAPPQQ-UHFFFAOYSA-N 0 0 423.263 2.934 50 0 HFAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000039611742 571133730 /nfs/dbraw/zinc/13/37/30/571133730.db2.gz AXRFXJBPOOWONM-MRXNPFEDSA-N 0 0 419.890 2.907 50 0 HFAARN COc1ccc(C)cc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000039640484 571134011 /nfs/dbraw/zinc/13/40/11/571134011.db2.gz BVHWJSMAWCMLTO-UHFFFAOYSA-N 0 0 414.502 2.818 50 0 HFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NCC(=O)N2CCc3ccccc3C2)c1C ZINC000039992555 571137040 /nfs/dbraw/zinc/13/70/40/571137040.db2.gz HXJBGZDAFIEKPU-UHFFFAOYSA-N 0 0 401.532 2.551 50 0 HFAARN Cc1c(NC(=O)[C@@H](C)Sc2nnc3ccccn32)c(=O)n(-c2ccccc2)n1C ZINC000008882610 571140546 /nfs/dbraw/zinc/14/05/46/571140546.db2.gz HLWQDIVKDPWCGN-CQSZACIVSA-N 0 0 408.487 2.646 50 0 HFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000040033892 571141119 /nfs/dbraw/zinc/14/11/19/571141119.db2.gz YDWJSUANCNFEBI-IBGZPJMESA-N 0 0 416.861 2.741 50 0 HFAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCn2ccc3ccccc32)C1=O ZINC000040040227 571142537 /nfs/dbraw/zinc/14/25/37/571142537.db2.gz PTIHTESCDURCLI-QHCPKHFHSA-N 0 0 422.460 2.754 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 ZINC000040042809 571142736 /nfs/dbraw/zinc/14/27/36/571142736.db2.gz OOGDUMUTNAWSJW-DOTOQJQBSA-N 0 0 412.442 2.905 50 0 HFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000040050670 571144310 /nfs/dbraw/zinc/14/43/10/571144310.db2.gz DIUUXYSFUDOMLF-UHFFFAOYSA-N 0 0 403.454 2.691 50 0 HFAARN COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(c3cccc(C(C)C)c3)C2)c1 ZINC000040058618 571146010 /nfs/dbraw/zinc/14/60/10/571146010.db2.gz SANFBLOKUPILKV-IBGZPJMESA-N 0 0 423.513 2.718 50 0 HFAARN CCCCn1cnc2c1c(=O)n(C[C@H](O)c1ccc(F)cc1)c(=O)n2CC(C)C ZINC000040062578 571147514 /nfs/dbraw/zinc/14/75/14/571147514.db2.gz AQEVTMZIHBAVGH-KRWDZBQOSA-N 0 0 402.470 2.689 50 0 HFAARN O=C(CNC(=O)C(=O)NCc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000040066884 571147957 /nfs/dbraw/zinc/14/79/57/571147957.db2.gz CRGIFLVKGXDRAL-UHFFFAOYSA-N 0 0 413.783 2.730 50 0 HFAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1[C@H]1CCS(=O)(=O)C1 ZINC000008915872 571150879 /nfs/dbraw/zinc/15/08/79/571150879.db2.gz AAOUGXPORIZGCV-KSSFIOAISA-N 0 0 413.426 2.664 50 0 HFAARN O=C(CSc1nnnn1C1CCCC1)Nc1cccc(CN2CCCC2=O)c1 ZINC000040072305 571152793 /nfs/dbraw/zinc/15/27/93/571152793.db2.gz IQKXQJSWSPLULU-UHFFFAOYSA-N 0 0 400.508 2.641 50 0 HFAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1[C@H]1CCS(=O)(=O)C1 ZINC000008917262 571153243 /nfs/dbraw/zinc/15/32/43/571153243.db2.gz IODYPVBURWJSGR-KPZWWZAWSA-N 0 0 413.426 2.664 50 0 HFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 ZINC000040073809 571153914 /nfs/dbraw/zinc/15/39/14/571153914.db2.gz DFCQVXXDUURHPL-SWLSCSKDSA-N 0 0 400.397 2.778 50 0 HFAARN COCCNC(=O)Cc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000040074504 571154600 /nfs/dbraw/zinc/15/46/00/571154600.db2.gz PLNIQEOYNSOJIE-QFIPXVFZSA-N 0 0 421.497 2.894 50 0 HFAARN O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000040079996 571155168 /nfs/dbraw/zinc/15/51/68/571155168.db2.gz DCCCPQKRSYULJK-UHFFFAOYSA-N 0 0 424.954 2.700 50 0 HFAARN O=C(c1cc2ccccc2o1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000040086194 571156772 /nfs/dbraw/zinc/15/67/72/571156772.db2.gz HKYWXGHFLOWLHU-UHFFFAOYSA-N 0 0 417.465 2.877 50 0 HFAARN Cc1nn(-c2ccc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)cc2)c(C)c1Cl ZINC000040090098 571160473 /nfs/dbraw/zinc/16/04/73/571160473.db2.gz RVABGWNIZJNWTP-OAHLLOKOSA-N 0 0 424.954 2.544 50 0 HFAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sccc1C(N)=O ZINC000008935992 571163715 /nfs/dbraw/zinc/16/37/15/571163715.db2.gz TWUYERGNOJZGMH-UHFFFAOYSA-N 0 0 401.517 2.780 50 0 HFAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000040103238 571163748 /nfs/dbraw/zinc/16/37/48/571163748.db2.gz YTXITTAOHJMRCK-CQSZACIVSA-N 0 0 403.813 2.797 50 0 HFAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000040104172 571165030 /nfs/dbraw/zinc/16/50/30/571165030.db2.gz YSLPMDVHHOPGGT-SNVBAGLBSA-N 0 0 413.402 2.880 50 0 HFAARN C[C@@]1(c2cccc(NC(=O)COc3cccc(Br)c3)c2)NC(=O)NC1=O ZINC000040110869 571169031 /nfs/dbraw/zinc/16/90/31/571169031.db2.gz ZGMKKFMEGFUOEH-SFHVURJKSA-N 0 0 418.247 2.521 50 0 HFAARN O=C(c1ccco1)N1CCN(C(=O)c2nccnc2-c2nc3ccccc3s2)CC1 ZINC000008943754 571169463 /nfs/dbraw/zinc/16/94/63/571169463.db2.gz MDUVMQUVQJPDEG-UHFFFAOYSA-N 0 0 419.466 2.945 50 0 HFAARN Cc1nc(C)c(CC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)c(=O)[nH]1 ZINC000040112637 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Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3ccc4ccccc4c3)nn2)n1 ZINC000019924130 558307349 /nfs/dbraw/zinc/30/73/49/558307349.db2.gz ULSCQWCSYJYPJQ-UHFFFAOYSA-N 0 0 422.514 2.823 50 0 HFAARN CC[C@H]1CN(CCNC(=O)c2ccc3c(c2)OCCO3)Cc2cc(OC)ccc2O1 ZINC000012025699 558310051 /nfs/dbraw/zinc/31/00/51/558310051.db2.gz QSBVBRGANOTAKT-SFHVURJKSA-N 0 0 412.486 2.869 50 0 HFAARN COC(=O)[C@@](NC(=O)COc1ccccc1)(Nc1ccc(Cl)cn1)C(F)(F)F ZINC000019944260 558314583 /nfs/dbraw/zinc/31/45/83/558314583.db2.gz DOEHZIOGDAFRHA-INIZCTEOSA-N 0 0 417.771 2.774 50 0 HFAARN O=S(=O)(C[C@H](CN1CCOCC1)N1CCCCC1)c1ccc2ccccc2c1 ZINC000019991366 558317388 /nfs/dbraw/zinc/31/73/88/558317388.db2.gz YSASJWIWVSFWTQ-NRFANRHFSA-N 0 0 402.560 2.800 50 0 HFAARN O=C(CN1CCCC1=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012075122 558319439 /nfs/dbraw/zinc/31/94/39/558319439.db2.gz FBFKSQLPMRGLAK-MRXNPFEDSA-N 0 0 412.515 2.610 50 0 HFAARN COc1ccc([C@]2(CC(=O)N(C)[C@@H](C)c3nc(C)cs3)CC(=O)N(C)C2=O)cc1 ZINC000012098407 558325340 /nfs/dbraw/zinc/32/53/40/558325340.db2.gz VXXBLLMNRJQGSA-QKKBWIMNSA-N 0 0 415.515 2.696 50 0 HFAARN O=C1c2ccccc2C(=O)N1CN1CCN(Cc2ccccc2Br)CC1 ZINC000020045361 558327212 /nfs/dbraw/zinc/32/72/12/558327212.db2.gz MQKCAFAHONVQHF-UHFFFAOYSA-N 0 0 414.303 2.820 50 0 HFAARN Cc1nn(C)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020045065 558327219 /nfs/dbraw/zinc/32/72/19/558327219.db2.gz KLTRDMOWVLBRDH-UHFFFAOYSA-N 0 0 403.335 2.542 50 0 HFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)OCCc2ccccc2)cc1 ZINC000012137169 558334167 /nfs/dbraw/zinc/33/41/67/558334167.db2.gz QIQSGLDUDWBJLZ-UHFFFAOYSA-N 0 0 418.515 2.878 50 0 HFAARN CCCc1c(C(=O)NCc2ncc[nH]2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000012150941 558339130 /nfs/dbraw/zinc/33/91/30/558339130.db2.gz YNMMIQCZUSVCSW-UHFFFAOYSA-N 0 0 408.458 2.539 50 0 HFAARN CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O ZINC000012158491 558341018 /nfs/dbraw/zinc/34/10/18/558341018.db2.gz YXAWNALQSURKRS-OPAMFIHVSA-N 0 0 404.482 2.650 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)CN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1 ZINC000012160850 558341800 /nfs/dbraw/zinc/34/18/00/558341800.db2.gz HQUQABAIUFHBBW-CQSZACIVSA-N 0 0 409.914 2.660 50 0 HFAARN CCOC(=O)c1sc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)nc1C ZINC000020168253 558343133 /nfs/dbraw/zinc/34/31/33/558343133.db2.gz PHROJIQTPQHZDT-UHFFFAOYSA-N 0 0 406.483 2.528 50 0 HFAARN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020232280 558350056 /nfs/dbraw/zinc/35/00/56/558350056.db2.gz RHQKPIPVMLBVJH-IBGZPJMESA-N 0 0 404.894 2.689 50 0 HFAARN CC[C@@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000012210741 558354114 /nfs/dbraw/zinc/35/41/14/558354114.db2.gz GBFTYYBQUVQCRQ-KDOFPFPSSA-N 0 0 415.511 2.792 50 0 HFAARN COCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012218536 558354798 /nfs/dbraw/zinc/35/47/98/558354798.db2.gz QPXBZTUIACRCTK-UHFFFAOYSA-N 0 0 420.498 2.905 50 0 HFAARN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3nccn3-c3cccc(C)c3)C2)CC1 ZINC000020351961 558356919 /nfs/dbraw/zinc/35/69/19/558356919.db2.gz ZZETYFZXZHBUBY-OAQYLSRUSA-N 0 0 411.550 2.919 50 0 HFAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)[nH]n1 ZINC000012301294 558370847 /nfs/dbraw/zinc/37/08/47/558370847.db2.gz VWBYQEIERFMASX-SFHVURJKSA-N 0 0 418.563 2.580 50 0 HFAARN CC(C)S(=O)(=O)c1ncc(CN2CCC[C@@H](CO)C2)n1CCc1ccccc1 ZINC000012306871 558375555 /nfs/dbraw/zinc/37/55/55/558375555.db2.gz QCBMHRTZQQBLAA-LJQANCHMSA-N 0 0 405.564 2.512 50 0 HFAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)c(OC)c1 ZINC000012314153 558377840 /nfs/dbraw/zinc/37/78/40/558377840.db2.gz FVPILLRQINKGOW-KRWDZBQOSA-N 0 0 418.534 2.765 50 0 HFAARN CCOc1ccc(CN2CCN(Cc3c(C)nn(CC)c3C)C[C@@H]2CCO)cc1 ZINC000020515746 558382801 /nfs/dbraw/zinc/38/28/01/558382801.db2.gz NCKDKBCBGLUHQE-NRFANRHFSA-N 0 0 400.567 2.987 50 0 HFAARN Cc1cccc(Cc2nnc(CCC(=O)NCCc3nc4c(c(C)n3)CCC4)o2)c1 ZINC000020534681 558385592 /nfs/dbraw/zinc/38/55/92/558385592.db2.gz IHSPAPYXAVDFOP-UHFFFAOYSA-N 0 0 405.502 2.847 50 0 HFAARN COc1cccc(C(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000012371537 558389638 /nfs/dbraw/zinc/38/96/38/558389638.db2.gz FXTKBVPTKLYRQU-UHFFFAOYSA-N 0 0 400.822 2.558 50 0 HFAARN COC(=O)c1ccc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)nc1 ZINC000012385703 558394524 /nfs/dbraw/zinc/39/45/24/558394524.db2.gz YBBGABWFIMYRNS-NRFANRHFSA-N 0 0 404.413 2.604 50 0 HFAARN COc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1 ZINC000012406234 558398055 /nfs/dbraw/zinc/39/80/55/558398055.db2.gz SUQHCFLWQQPERJ-PWRODBHTSA-N 0 0 421.497 2.976 50 0 HFAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1F ZINC000020715839 558401291 /nfs/dbraw/zinc/40/12/91/558401291.db2.gz PXKGLXDDNDEGSI-RDJZCZTQSA-N 0 0 424.473 2.640 50 0 HFAARN CCOC(=O)C1=NO[C@H](c2c(Br)c(OC)c3c(c2OC)OCO3)[C@H]1C ZINC000012412866 558401400 /nfs/dbraw/zinc/40/14/00/558401400.db2.gz MUWCQTWGEQULAT-CPCISQLKSA-N 0 0 416.224 2.822 50 0 HFAARN CCc1c(-c2ccccc2)n(-c2ccccc2O)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012413159 558401450 /nfs/dbraw/zinc/40/14/50/558401450.db2.gz NFEHLEIIBHKWDY-UHFFFAOYSA-N 0 0 415.453 2.611 50 0 HFAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000020718251 558401988 /nfs/dbraw/zinc/40/19/88/558401988.db2.gz ARVLTTSXFQKTLK-JOCHJYFZSA-N 0 0 424.476 2.997 50 0 HFAARN Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)N1CCc2ccccc21 ZINC000012427804 558403531 /nfs/dbraw/zinc/40/35/31/558403531.db2.gz AIZYVLKFPSYJCJ-UHFFFAOYSA-N 0 0 424.482 2.804 50 0 HFAARN O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NCc1ccccc1 ZINC000020724555 558404160 /nfs/dbraw/zinc/40/41/60/558404160.db2.gz BNOAKARILMLNNV-UHFFFAOYSA-N 0 0 418.497 2.549 50 0 HFAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)Cc2nonc2C)CC1 ZINC000012429877 558404633 /nfs/dbraw/zinc/40/46/33/558404633.db2.gz OKYUAGZZOGBDOC-UHFFFAOYSA-N 0 0 401.463 2.562 50 0 HFAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2ncccn2)CC1 ZINC000020726301 558404980 /nfs/dbraw/zinc/40/49/80/558404980.db2.gz IUWBTZKNJSJPLF-UHFFFAOYSA-N 0 0 400.280 2.543 50 0 HFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCO)nn1-c1ccccc1Cl)C2 ZINC000020729804 558406140 /nfs/dbraw/zinc/40/61/40/558406140.db2.gz ANZRDPYBXVJVSQ-UHFFFAOYSA-N 0 0 413.861 2.836 50 0 HFAARN O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000020731175 558406614 /nfs/dbraw/zinc/40/66/14/558406614.db2.gz CNEVEMJJTRHRFV-HNNXBMFYSA-N 0 0 419.403 2.605 50 0 HFAARN Cc1cc(=O)oc2cc(OCc3noc(C(=O)NC[C@@H](O)c4ccccc4)n3)ccc12 ZINC000020732083 558406884 /nfs/dbraw/zinc/40/68/84/558406884.db2.gz XCTJAPIKGNBKQK-QGZVFWFLSA-N 0 0 421.409 2.527 50 0 biogenic HFAARN CCOC(=O)Cc1csc(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)n1 ZINC000020733958 558407274 /nfs/dbraw/zinc/40/72/74/558407274.db2.gz VFGRVXLNYUTSMH-KRWDZBQOSA-N 0 0 401.488 2.868 50 0 HFAARN CCS(=O)(=O)c1ncc(CN2CCC(Cc3ccccc3)CC2)n1CCOC ZINC000012434308 558408109 /nfs/dbraw/zinc/40/81/09/558408109.db2.gz ZLEPTBZEGYPJAT-UHFFFAOYSA-N 0 0 405.564 2.778 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000020745283 558409911 /nfs/dbraw/zinc/40/99/11/558409911.db2.gz HSQYPKQEAVBCHC-IBGZPJMESA-N 0 0 413.503 2.532 50 0 HFAARN CCc1cccc(-n2ncc3c2NC(=O)C[C@@]32c3ccccc3N(CC(N)=O)C2=O)c1 ZINC000020745239 558409946 /nfs/dbraw/zinc/40/99/46/558409946.db2.gz KSMPBQLFTMQUIT-HSZRJFAPSA-N 0 0 415.453 2.544 50 0 HFAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(F)ccc1F ZINC000020745951 558411018 /nfs/dbraw/zinc/41/10/18/558411018.db2.gz LEQYEYCENSRTNN-RDJZCZTQSA-N 0 0 424.473 2.640 50 0 HFAARN Cn1cnnc1SCCNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012439767 558411256 /nfs/dbraw/zinc/41/12/56/558411256.db2.gz RMHTVBCXNNRHSK-UHFFFAOYSA-N 0 0 413.503 2.783 50 0 HFAARN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000020760828 558411322 /nfs/dbraw/zinc/41/13/22/558411322.db2.gz REXKTIJMPTYVAG-PMPSAXMXSA-N 0 0 411.889 2.501 50 0 biogenic HFAARN COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc1 ZINC000012440420 558411659 /nfs/dbraw/zinc/41/16/59/558411659.db2.gz YGEKWVMHVQONPY-QGZVFWFLSA-N 0 0 401.532 2.600 50 0 HFAARN CCCc1ccc2oc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)c2c1 ZINC000020779617 558412437 /nfs/dbraw/zinc/41/24/37/558412437.db2.gz QLKLREPLZQBOIH-QGZVFWFLSA-N 0 0 404.532 2.639 50 0 HFAARN Cc1nc(CN2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)cs1 ZINC000020782176 558412817 /nfs/dbraw/zinc/41/28/17/558412817.db2.gz JFBYNNULOWWZSC-UHFFFAOYSA-N 0 0 416.938 2.703 50 0 HFAARN Cc1c([C@H](C)NC(=O)CCn2cnc3ccccc3c2=O)cnn1-c1ccccn1 ZINC000012448453 558415356 /nfs/dbraw/zinc/41/53/56/558415356.db2.gz ZOYJOUQLIKXRFC-HNNXBMFYSA-N 0 0 402.458 2.553 50 0 HFAARN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 ZINC000012448726 558415580 /nfs/dbraw/zinc/41/55/80/558415580.db2.gz BGTUIHKJHKCIMM-FQEVSTJZSA-N 0 0 416.566 2.519 50 0 HFAARN CN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012453789 558416599 /nfs/dbraw/zinc/41/65/99/558416599.db2.gz ORJQMWHTQMYOEN-QGZVFWFLSA-N 0 0 409.461 2.788 50 0 HFAARN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 ZINC000012462427 558419410 /nfs/dbraw/zinc/41/94/10/558419410.db2.gz FEMJIXPADOXKEJ-UHFFFAOYSA-N 0 0 411.487 2.718 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)C1 ZINC000004336992 558420693 /nfs/dbraw/zinc/42/06/93/558420693.db2.gz PCFFUKIUCCMPTF-GFCCVEGCSA-N 0 0 421.881 2.822 50 0 HFAARN CCCCSc1nc(-c2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004341370 558424978 /nfs/dbraw/zinc/42/49/78/558424978.db2.gz BFMHGEUCGUMPFK-UHFFFAOYSA-N 0 0 416.503 2.604 50 0 HFAARN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000010719369 558425896 /nfs/dbraw/zinc/42/58/96/558425896.db2.gz XGPVGZYMZWDUSN-GFCCVEGCSA-N 0 0 417.414 2.554 50 0 HFAARN COC(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1 ZINC000004348103 558428071 /nfs/dbraw/zinc/42/80/71/558428071.db2.gz IMMWRWXVPJIGCK-UHFFFAOYSA-N 0 0 404.469 2.885 50 0 HFAARN CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]n2)c2c[nH]c3ccccc32)cc1 ZINC000021130356 558431609 /nfs/dbraw/zinc/43/16/09/558431609.db2.gz ISOUCENCEBKZIG-SFHVURJKSA-N 0 0 401.470 2.879 50 0 HFAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC(C(N)=O)CC2)cc1 ZINC000021131205 558431973 /nfs/dbraw/zinc/43/19/73/558431973.db2.gz FLBKFYWQTRIUEN-JOCHJYFZSA-N 0 0 420.513 2.570 50 0 HFAARN O=C(COc1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000010731755 558433161 /nfs/dbraw/zinc/43/31/61/558433161.db2.gz FZFSDNBQRRVMFW-UHFFFAOYSA-N 0 0 417.483 2.666 50 0 HFAARN C[C@@H](Sc1nncs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000021280055 558434805 /nfs/dbraw/zinc/43/48/05/558434805.db2.gz NSJOVNGBZMHGIL-GFCCVEGCSA-N 0 0 412.562 2.832 50 0 HFAARN COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl ZINC000004351973 558435717 /nfs/dbraw/zinc/43/57/17/558435717.db2.gz DNHNRPFQAVKFHI-UHFFFAOYSA-N 0 0 416.817 2.798 50 0 HFAARN COc1cc2ncn(CCCC(=O)NCCc3ccc(F)cc3)c(=O)c2cc1OC ZINC000010747900 558436372 /nfs/dbraw/zinc/43/63/72/558436372.db2.gz IQAXFCRVYMDRHS-UHFFFAOYSA-N 0 0 413.449 2.692 50 0 HFAARN COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@H](C)c3ccon3)cc2)CC1 ZINC000012612440 558438960 /nfs/dbraw/zinc/43/89/60/558438960.db2.gz UTMZLQFPLVDWLV-MRXNPFEDSA-N 0 0 415.490 2.914 50 0 HFAARN O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)N1CCc2ccccc21 ZINC000004354289 558439850 /nfs/dbraw/zinc/43/98/50/558439850.db2.gz IRBFIQRAKXREHH-UHFFFAOYSA-N 0 0 412.446 2.820 50 0 HFAARN CN(C)C(=O)[C@@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccccc1 ZINC000021642134 558444509 /nfs/dbraw/zinc/44/45/09/558444509.db2.gz NKFAWNDKCRZRCI-FQEVSTJZSA-N 0 0 416.499 2.590 50 0 HFAARN COc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021786592 558448645 /nfs/dbraw/zinc/44/86/45/558448645.db2.gz KILJPHVZRIDQGH-HNNXBMFYSA-N 0 0 416.455 2.773 50 0 HFAARN COc1ccc(-c2cc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 ZINC000021786588 558448676 /nfs/dbraw/zinc/44/86/76/558448676.db2.gz KILJPHVZRIDQGH-OAHLLOKOSA-N 0 0 416.455 2.773 50 0 HFAARN O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2cc(Cl)ccc12 ZINC000021847853 558452296 /nfs/dbraw/zinc/45/22/96/558452296.db2.gz MLROHZVONAOTNX-UHFFFAOYSA-N 0 0 412.877 2.623 50 0 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/nfs/dbraw/zinc/62/91/85/558629185.db2.gz NTCXWGOAJZELCR-ZDUSSCGKSA-N 0 0 405.248 2.608 50 0 HFAARN COc1ccc(OC[C@H](O)Cn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000014183558 558629213 /nfs/dbraw/zinc/62/92/13/558629213.db2.gz NTCXWGOAJZELCR-CYBMUJFWSA-N 0 0 405.248 2.608 50 0 HFAARN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014183861 558629419 /nfs/dbraw/zinc/62/94/19/558629419.db2.gz NHZKTHZJGFSFPM-UHFFFAOYSA-N 0 0 403.548 2.886 50 0 HFAARN COc1cc(OC)c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000014183985 558629552 /nfs/dbraw/zinc/62/95/52/558629552.db2.gz DCEWTQDKMIXJMZ-AWEZNQCLSA-N 0 0 414.458 2.874 50 0 HFAARN COc1ccc(O)c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000014184620 558630044 /nfs/dbraw/zinc/63/00/44/558630044.db2.gz WTVXACUFLXPWOX-UHFFFAOYSA-N 0 0 410.517 2.567 50 0 HFAARN O=C(CCn1ccc2ccccc21)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000025077053 558630540 /nfs/dbraw/zinc/63/05/40/558630540.db2.gz UZAURVBHKXAUEF-UHFFFAOYSA-N 0 0 406.486 2.941 50 0 HFAARN 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HFAARN COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2c(c1=O)SCC2 ZINC000000755455 568472387 /nfs/dbraw/zinc/47/23/87/568472387.db2.gz BGENEKCBOCEPET-UHFFFAOYSA-N 0 0 403.529 2.604 50 0 HFAARN COC(=O)CCCCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021970333 568473089 /nfs/dbraw/zinc/47/30/89/568473089.db2.gz ARRFAXVSWVOWDC-UHFFFAOYSA-N 0 0 424.544 2.690 50 0 HFAARN Cc1ccc(C)c(-n2c(SCc3nc(N)nc(N)n3)nc3ccccc3c2=O)c1 ZINC000007188088 568473787 /nfs/dbraw/zinc/47/37/87/568473787.db2.gz VQWZXQHKJYUWPK-UHFFFAOYSA-N 0 0 405.487 2.644 50 0 HFAARN CCn1c(C)cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1C ZINC000007219991 568475027 /nfs/dbraw/zinc/47/50/27/568475027.db2.gz MWNSQYGEROYTFL-UHFFFAOYSA-N 0 0 423.560 2.516 50 0 HFAARN CC(C)[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000007287903 568478611 /nfs/dbraw/zinc/47/86/11/568478611.db2.gz PVIJBDLLJKXYHB-IBGZPJMESA-N 0 0 415.490 2.526 50 0 HFAARN CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(Cc1ccccc1)C2=O ZINC000000806616 568487643 /nfs/dbraw/zinc/48/76/43/568487643.db2.gz WYCLNOWBPSOGQN-NRFANRHFSA-N 0 0 408.483 2.697 50 0 HFAARN COCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000604405509 568492659 /nfs/dbraw/zinc/49/26/59/568492659.db2.gz OZBZTAJUQUQTON-OAQYLSRUSA-N 0 0 407.470 2.734 50 0 biogenic HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000604418917 568493131 /nfs/dbraw/zinc/49/31/31/568493131.db2.gz VHINRRTUAOVBBF-SFHVURJKSA-N 0 0 418.453 2.675 50 0 HFAARN COc1ccc(OC)c([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c1 ZINC000000812514 568494968 /nfs/dbraw/zinc/49/49/68/568494968.db2.gz BLUSHNHCHOIFLJ-LJQANCHMSA-N 0 0 417.487 2.773 50 0 HFAARN CCOc1ccccc1S(=O)(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831659 568495778 /nfs/dbraw/zinc/49/57/78/568495778.db2.gz TXWAIWJDFANUMA-SFHVURJKSA-N 0 0 409.529 2.636 50 0 HFAARN O=C(NC[C@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000819737 568497156 /nfs/dbraw/zinc/49/71/56/568497156.db2.gz QCXWSZYBMVUNKD-YOEHRIQHSA-N 0 0 403.276 2.652 50 0 HFAARN CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000000823538 568498845 /nfs/dbraw/zinc/49/88/45/568498845.db2.gz RSYVPPHQGVOZLG-GFCCVEGCSA-N 0 0 408.279 2.784 50 0 HFAARN CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000000823539 568498848 /nfs/dbraw/zinc/49/88/48/568498848.db2.gz RSYVPPHQGVOZLG-LBPRGKRZSA-N 0 0 408.279 2.784 50 0 HFAARN O=C(NCCCn1ccnc1)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1 ZINC000012360422 568509389 /nfs/dbraw/zinc/50/93/89/568509389.db2.gz XQVVXYZRHGEZHF-UHFFFAOYSA-N 0 0 419.367 2.503 50 0 HFAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CC3)c2=O)c(F)c1 ZINC000033141640 568511465 /nfs/dbraw/zinc/51/14/65/568511465.db2.gz NSSVWBQVERWJGX-UHFFFAOYSA-N 0 0 422.460 2.694 50 0 HFAARN O=C(NCc1ccc(F)cc1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1 ZINC000033292481 568513022 /nfs/dbraw/zinc/51/30/22/568513022.db2.gz MTEDOTITPKAUIN-UHFFFAOYSA-N 0 0 423.379 2.550 50 0 HFAARN Cc1csc(-c2cc(S(=O)(=O)NC(C)(C)C)cn2CC(=O)N2CCCC2)n1 ZINC000033307519 568514082 /nfs/dbraw/zinc/51/40/82/568514082.db2.gz QQZYDLPHBDONLN-UHFFFAOYSA-N 0 0 410.565 2.619 50 0 HFAARN Nc1nn(-c2ccccc2)nc1C(=O)OCc1cc2c(cc1Br)OCO2 ZINC000012377160 568545829 /nfs/dbraw/zinc/54/58/29/568545829.db2.gz NSXFYTHVLMHQJH-UHFFFAOYSA-N 0 0 417.219 2.698 50 0 HFAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCOCC2)C3=O)cc1 ZINC000020117769 568589393 /nfs/dbraw/zinc/58/93/93/568589393.db2.gz FVZUNFUJJRDKNF-QFIPXVFZSA-N 0 0 409.511 2.564 50 0 HFAARN O=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)NCc1ccco1 ZINC000020152860 568590860 /nfs/dbraw/zinc/59/08/60/568590860.db2.gz UPDRFCBJHUHVEW-UHFFFAOYSA-N 0 0 421.428 2.650 50 0 HFAARN CN1c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2N(C)S1(=O)=O ZINC000390828325 568591630 /nfs/dbraw/zinc/59/16/30/568591630.db2.gz QHWYHYROLRLNQG-UHFFFAOYSA-N 0 0 401.488 2.504 50 0 HFAARN COc1ccc2cc(C(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)[nH]c2c1 ZINC000390830056 568592168 /nfs/dbraw/zinc/59/21/68/568592168.db2.gz ILPMHYOGWPYJTC-UHFFFAOYSA-N 0 0 403.442 2.759 50 0 HFAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390831229 568592281 /nfs/dbraw/zinc/59/22/81/568592281.db2.gz QOIFNUUKWCVSAP-UHFFFAOYSA-N 0 0 409.393 2.744 50 0 HFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(Cl)c1 ZINC000020234762 568595439 /nfs/dbraw/zinc/59/54/39/568595439.db2.gz YKGHJONHOCIVOJ-UHFFFAOYSA-N 0 0 421.906 2.840 50 0 HFAARN COc1ccc(-c2cn3c(C)c(C(=O)NCCCN4CCOCC4)sc3n2)cc1 ZINC000020280092 568596689 /nfs/dbraw/zinc/59/66/89/568596689.db2.gz NJDFCYAORUJYNR-UHFFFAOYSA-N 0 0 414.531 2.832 50 0 HFAARN COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc1OC ZINC000020287791 568597177 /nfs/dbraw/zinc/59/71/77/568597177.db2.gz HXKRCKUYYYXNJY-FOIQADDNSA-N 0 0 403.548 2.872 50 0 HFAARN COc1ccc(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c(OC)c1OC ZINC000095432572 568609315 /nfs/dbraw/zinc/60/93/15/568609315.db2.gz RQVLCSFQWDZRCW-HNNXBMFYSA-N 0 0 402.455 2.758 50 0 HFAARN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O ZINC000095439475 568610180 /nfs/dbraw/zinc/61/01/80/568610180.db2.gz TYPGHJAQSSRWAJ-KRWDZBQOSA-N 0 0 410.261 2.523 50 0 HFAARN CN(CC(=O)N1CCCCC1)c1cccc2c1CCCN2CC(=O)N1CCCCC1 ZINC000095446858 568612170 /nfs/dbraw/zinc/61/21/70/568612170.db2.gz GJVPMAZTKSJDLO-UHFFFAOYSA-N 0 0 412.578 2.900 50 0 HFAARN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccccc1S(=O)(=O)CCN(C)C ZINC000095453200 568615548 /nfs/dbraw/zinc/61/55/48/568615548.db2.gz BGZPZBQUNXKYDE-FQEVSTJZSA-N 0 0 418.559 2.526 50 0 HFAARN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cn2)C[C@H](C)O1 ZINC000040106817 568618021 /nfs/dbraw/zinc/61/80/21/568618021.db2.gz NGBXHMFHNRAGED-KSMMKXTCSA-N 0 0 401.894 2.969 50 0 HFAARN CCC1(CC)[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)[C@H](C)[C@@H]1OC ZINC000095458026 568618754 /nfs/dbraw/zinc/61/87/54/568618754.db2.gz OITPDAJFLLAKGX-VUCTXSBTSA-N 0 0 403.566 2.745 50 0 HFAARN NC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc21 ZINC000095459968 568620034 /nfs/dbraw/zinc/62/00/34/568620034.db2.gz GWBMIYVSPZUOQS-UHFFFAOYSA-N 0 0 402.329 2.621 50 0 HFAARN O=C1CSc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2N1 ZINC000020509135 568620619 /nfs/dbraw/zinc/62/06/19/568620619.db2.gz QRMCAFWOERKXAL-UHFFFAOYSA-N 0 0 423.947 2.895 50 0 HFAARN CC(C)n1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000095461607 568620860 /nfs/dbraw/zinc/62/08/60/568620860.db2.gz NVRMYELILVKRRA-HNNXBMFYSA-N 0 0 406.508 2.589 50 0 HFAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1scnc1Br ZINC000095462472 568621416 /nfs/dbraw/zinc/62/14/16/568621416.db2.gz BUNTVQGDWYLJJS-UHFFFAOYSA-N 0 0 400.273 2.823 50 0 HFAARN O=C(CCn1c(=O)c2cccn2c2cccnc21)Nc1ccc(Br)cn1 ZINC000020512665 568621913 /nfs/dbraw/zinc/62/19/13/568621913.db2.gz IQAGQQSHCJWNOT-UHFFFAOYSA-N 0 0 412.247 2.836 50 0 HFAARN COc1ccc(C2(C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)CCOCC2)cc1 ZINC000095474422 568629249 /nfs/dbraw/zinc/62/92/49/568629249.db2.gz WYITVNSOLJNNGR-UHFFFAOYSA-N 0 0 408.458 2.598 50 0 HFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc4ncn(C(C)C)c(=O)c4c3)CC2=O)cc1 ZINC000095474839 568629573 /nfs/dbraw/zinc/62/95/73/568629573.db2.gz YMJVLZAULUJVLP-HNNXBMFYSA-N 0 0 420.469 2.978 50 0 HFAARN Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2ncn(CC(C)C)c(=O)c2c1 ZINC000095475503 568629921 /nfs/dbraw/zinc/62/99/21/568629921.db2.gz KXVLTXOGHAWELZ-UHFFFAOYSA-N 0 0 410.474 2.647 50 0 HFAARN COC(=O)CC1CCN(C(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)CC1 ZINC000095475652 568630109 /nfs/dbraw/zinc/63/01/09/568630109.db2.gz OTTOFNAJWFQPIP-UHFFFAOYSA-N 0 0 419.481 2.865 50 0 HFAARN Cc1nc2ccccc2c(=O)n1CCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000095478909 568632003 /nfs/dbraw/zinc/63/20/03/568632003.db2.gz LVFPGEASQUUJJQ-UHFFFAOYSA-N 0 0 412.298 2.990 50 0 HFAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1 ZINC000095479283 568632638 /nfs/dbraw/zinc/63/26/38/568632638.db2.gz WNEHNKWMYHWEQZ-LEWJYISDSA-N 0 0 404.470 2.688 50 0 HFAARN CC(C)Cc1nnc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)[nH]1 ZINC000095479641 568632863 /nfs/dbraw/zinc/63/28/63/568632863.db2.gz AVQCJQYZHXSHHJ-UHFFFAOYSA-N 0 0 411.915 2.839 50 0 HFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc(CC(C)C)s1)C=C2 ZINC000095480132 568633003 /nfs/dbraw/zinc/63/30/03/568633003.db2.gz JBIYWVJQBFCFHX-UHFFFAOYSA-N 0 0 416.503 2.748 50 0 HFAARN CC[C@@H](C(=O)OC)N(c1ccccc1)S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000225397465 568634080 /nfs/dbraw/zinc/63/40/80/568634080.db2.gz OKQDFLUYYKRLBH-HNNXBMFYSA-N 0 0 422.894 2.838 50 0 HFAARN C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccccc1O ZINC000095482692 568634797 /nfs/dbraw/zinc/63/47/97/568634797.db2.gz PEJAZKRLNFWFLD-CQSZACIVSA-N 0 0 402.882 2.904 50 0 HFAARN O=C(Nc1cc(F)cc(F)c1)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1ccccc1)C2 ZINC000096095728 568636290 /nfs/dbraw/zinc/63/62/90/568636290.db2.gz GBSSDSHFQAJDDN-OCBCSQNSSA-N 0 0 407.442 2.938 50 0 HFAARN Cc1coc2c1cc1c(C)c(CC(=O)NCCCN3CCOCC3)c(=O)oc1c2C ZINC000020611818 568637595 /nfs/dbraw/zinc/63/75/95/568637595.db2.gz KVCRMGBMAGQILF-UHFFFAOYSA-N 0 0 412.486 2.845 50 0 biogenic HFAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 ZINC000020688805 568640363 /nfs/dbraw/zinc/64/03/63/568640363.db2.gz LTIFIZOSDUHVDV-HXUWFJFHSA-N 0 0 417.918 2.973 50 0 HFAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000020724574 568640600 /nfs/dbraw/zinc/64/06/00/568640600.db2.gz HRMJYJMNKHXHPI-UHFFFAOYSA-N 0 0 416.525 2.953 50 0 HFAARN COC(=O)CC1(NC(=O)Nc2cc(Cl)ccc2Cl)CCS(=O)(=O)CC1 ZINC000225485306 568641832 /nfs/dbraw/zinc/64/18/32/568641832.db2.gz AETZSTNDPHOPAN-UHFFFAOYSA-N 0 0 409.291 2.625 50 0 HFAARN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCc1c[nH]c3ccccc13)C(=O)N2C(C)C ZINC000020759297 568641929 /nfs/dbraw/zinc/64/19/29/568641929.db2.gz KCSVJYNIAMIDSK-NRFANRHFSA-N 0 0 418.497 2.748 50 0 biogenic HFAARN COc1cccc(CN2C(=O)N(c3cc(C)ccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000020848629 568644787 /nfs/dbraw/zinc/64/47/87/568644787.db2.gz UMKQEHSQZGCIGA-UXHICEINSA-N 0 0 400.500 2.920 50 0 HFAARN COc1ccc(CNC(=O)CCCn2nc(C)n3c4cc(C)oc4cc3c2=O)cc1 ZINC000020862151 568646154 /nfs/dbraw/zinc/64/61/54/568646154.db2.gz LBAGMCPFZCNKHA-UHFFFAOYSA-N 0 0 408.458 2.964 50 0 HFAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)[C@@H]1C ZINC000020901313 568649784 /nfs/dbraw/zinc/64/97/84/568649784.db2.gz LTIPWZYQUHCXAI-FMKPAKJESA-N 0 0 405.568 2.822 50 0 HFAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901331 568649806 /nfs/dbraw/zinc/64/98/06/568649806.db2.gz AODBUWIWUXEGRN-CQSZACIVSA-N 0 0 419.938 2.851 50 0 HFAARN C=C1C(N2CCN(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000020901024 568649837 /nfs/dbraw/zinc/64/98/37/568649837.db2.gz VQKWGRXVKMOUHH-UHFFFAOYSA-N 0 0 411.527 2.986 50 0 HFAARN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@@H]1CCCOC1 ZINC000225550893 568650155 /nfs/dbraw/zinc/65/01/55/568650155.db2.gz UDLVKYXYVVLQQL-CQSZACIVSA-N 0 0 400.313 2.984 50 0 HFAARN CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)cc21 ZINC000020904555 568650856 /nfs/dbraw/zinc/65/08/56/568650856.db2.gz VIINSMBDDRQUKA-OAHLLOKOSA-N 0 0 423.604 2.783 50 0 HFAARN Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CC(=O)NCc3cccnc3)c(=O)c12 ZINC000020947191 568653682 /nfs/dbraw/zinc/65/36/82/568653682.db2.gz XBLRSMJGPJMCCN-UHFFFAOYSA-N 0 0 401.470 2.824 50 0 HFAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCC2(CC1)OCCO2 ZINC000020977751 568654016 /nfs/dbraw/zinc/65/40/16/568654016.db2.gz APXPLSLTSVZMOS-UHFFFAOYSA-N 0 0 424.422 2.950 50 0 HFAARN Cc1nn(CCC(=O)Nc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028620 568658732 /nfs/dbraw/zinc/65/87/32/568658732.db2.gz DPKBJPOZUCPVPO-UHFFFAOYSA-N 0 0 410.927 2.967 50 0 HFAARN NS(=O)(=O)c1cccc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)c1 ZINC000225658256 568660909 /nfs/dbraw/zinc/66/09/09/568660909.db2.gz JWRQRXLVIICRID-UHFFFAOYSA-N 0 0 400.547 2.924 50 0 HFAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccs3)C2)c(OC)c1 ZINC000095945956 568663899 /nfs/dbraw/zinc/66/38/99/568663899.db2.gz MBLRTUIRDRSVPB-GOSISDBHSA-N 0 0 415.515 2.775 50 0 HFAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)NC1CCCCC1 ZINC000021090051 568664030 /nfs/dbraw/zinc/66/40/30/568664030.db2.gz ZTIKXLJIGRZLPT-LJQANCHMSA-N 0 0 419.547 2.670 50 0 HFAARN Cc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1CC(N)=O ZINC000095947411 568664819 /nfs/dbraw/zinc/66/48/19/568664819.db2.gz HSPJEQFYXLFMEF-UHFFFAOYSA-N 0 0 408.698 2.763 50 0 HFAARN O=C(CCc1nc(CS(=O)(=O)c2ccccc2)no1)NCc1ccccc1Cl ZINC000021097035 568665090 /nfs/dbraw/zinc/66/50/90/568665090.db2.gz HFSWQNNDCXCZPS-UHFFFAOYSA-N 0 0 419.890 2.946 50 0 HFAARN N[C@@](C(=O)Nc1ccn(Cc2ccncc2)n1)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000225705535 568666327 /nfs/dbraw/zinc/66/63/27/568666327.db2.gz HXXYGAVRCUVQFI-QGZVFWFLSA-N 0 0 411.334 2.960 50 0 HFAARN COC(=O)CN1c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2C(C)(C)C1=O ZINC000021112932 568668604 /nfs/dbraw/zinc/66/86/04/568668604.db2.gz BCECOOSSVJJVAP-UHFFFAOYSA-N 0 0 402.472 2.593 50 0 HFAARN CSc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)N(C)C)cc1 ZINC000021116153 568668951 /nfs/dbraw/zinc/66/89/51/568668951.db2.gz HWFYTAUFYNULQO-UHFFFAOYSA-N 0 0 407.561 2.646 50 0 HFAARN O=C1C[C@H](c2nc3ccccc3n2CCN2CCOCC2)CN1Cc1cccs1 ZINC000021172129 568676455 /nfs/dbraw/zinc/67/64/55/568676455.db2.gz IXBLRNVSZGOEIJ-KRWDZBQOSA-N 0 0 410.543 2.946 50 0 HFAARN Cc1ccc(-c2nnn(CC(=O)NCCOc3cccc4c3OC(C)(C)C4)n2)cc1 ZINC000021176615 568677221 /nfs/dbraw/zinc/67/72/21/568677221.db2.gz PQBIGJFDSLBQIB-UHFFFAOYSA-N 0 0 407.474 2.557 50 0 HFAARN CCOCc1ccc(CNS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)cc1 ZINC000095988755 568677226 /nfs/dbraw/zinc/67/72/26/568677226.db2.gz RYUWUDVYMCXNJK-UHFFFAOYSA-N 0 0 403.500 2.906 50 0 HFAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(S(N)(=O)=O)cc3F)nc2c1 ZINC000095993672 568678584 /nfs/dbraw/zinc/67/85/84/568678584.db2.gz HRQPNEMQROKNBZ-QGZVFWFLSA-N 0 0 402.451 2.635 50 0 HFAARN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cn(C)nc3C)c2C)c1 ZINC000095998518 568679622 /nfs/dbraw/zinc/67/96/22/568679622.db2.gz GWKYBVUNLSXCPQ-FQEVSTJZSA-N 0 0 409.490 2.753 50 0 HFAARN Cc1ccc(NC(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C(N)=O ZINC000096002827 568681800 /nfs/dbraw/zinc/68/18/00/568681800.db2.gz SHWRYFLOODYVCV-INIZCTEOSA-N 0 0 408.437 2.628 50 0 HFAARN CCOC(=O)[C@@H]1[C@H](CN[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1(C)C ZINC000096009248 568683821 /nfs/dbraw/zinc/68/38/21/568683821.db2.gz NQTKECHZWBRCNF-FHWLQOOXSA-N 0 0 401.507 2.952 50 0 HFAARN Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000021324165 568687565 /nfs/dbraw/zinc/68/75/65/568687565.db2.gz AYSZEIHIENVMIP-UHFFFAOYSA-N 0 0 402.498 2.563 50 0 HFAARN CCOC(=O)C1CCN(C(=O)CCc2ccc3nc(NC(C)=O)sc3c2)CC1 ZINC000021352807 568687709 /nfs/dbraw/zinc/68/77/09/568687709.db2.gz FYAXHVRLTXHBMC-UHFFFAOYSA-N 0 0 403.504 2.989 50 0 HFAARN CSc1ccc([C@H](O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000096103146 568691772 /nfs/dbraw/zinc/69/17/72/568691772.db2.gz VUGBVLQGUVASSH-LJQANCHMSA-N 0 0 420.556 2.656 50 0 HFAARN COc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(C)cc1)C2=O ZINC000096105551 568692792 /nfs/dbraw/zinc/69/27/92/568692792.db2.gz DCRREEVXBSFZTA-UHFFFAOYSA-N 0 0 407.470 2.730 50 0 HFAARN CCOC(=O)N1CCN(CC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)CC1 ZINC000226075193 568693083 /nfs/dbraw/zinc/69/30/83/568693083.db2.gz SWOOPGKNVHQVGK-UHFFFAOYSA-N 0 0 401.507 2.998 50 0 HFAARN COc1ccc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cnc2c1 ZINC000096114121 568693741 /nfs/dbraw/zinc/69/37/41/568693741.db2.gz FRBGLANNRHHNCI-SFHVURJKSA-N 0 0 404.426 2.713 50 0 biogenic HFAARN O=C(C1CCN(c2ncnc3nc[nH]c32)CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000096114431 568694012 /nfs/dbraw/zinc/69/40/12/568694012.db2.gz PPBOTSJJZVIYIV-UHFFFAOYSA-N 0 0 401.474 2.636 50 0 biogenic HFAARN Cn1c(C[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCCC4)C3)C2)nc2cccnc21 ZINC000096124899 568701057 /nfs/dbraw/zinc/70/10/57/568701057.db2.gz KWKHXHPKENFIBV-ROUUACIJSA-N 0 0 423.561 2.931 50 0 HFAARN O=C(c1cccc(OC(F)F)c1)N1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000096129645 568701599 /nfs/dbraw/zinc/70/15/99/568701599.db2.gz KXBFFNZRMUNLFU-UHFFFAOYSA-N 0 0 420.441 2.544 50 0 HFAARN COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)NC(=O)N([C@H](C)c2ccccc2)C1=O ZINC000012401897 568704969 /nfs/dbraw/zinc/70/49/69/568704969.db2.gz HIOZOUCJQDOSFH-CWTRNNRKSA-N 0 0 421.375 2.997 50 0 HFAARN COc1ccc(-c2cc(C(=O)Nc3ccc4ncn(C)c(=O)c4c3)n[nH]2)cc1OC ZINC000096224220 568706523 /nfs/dbraw/zinc/70/65/23/568706523.db2.gz XLUYGNZJMXBDBF-UHFFFAOYSA-N 0 0 405.414 2.593 50 0 HFAARN COc1ccc(N2CCC[C@@H](C(=O)NCc3nc4ccccc4n3C(C)C)C2)nn1 ZINC000096231298 568707080 /nfs/dbraw/zinc/70/70/80/568707080.db2.gz BIOXCELRJRYTBF-MRXNPFEDSA-N 0 0 408.506 2.949 50 0 HFAARN O=S1(=O)CC[C@H](c2nn3c(nnc3-c3ccc(Br)s3)s2)C1 ZINC000096231517 568707419 /nfs/dbraw/zinc/70/74/19/568707419.db2.gz DDMIWTZXPXJCEM-LURJTMIESA-N 0 0 405.324 2.579 50 0 HFAARN CC(C)[C@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2[nH]1 ZINC000096231711 568707556 /nfs/dbraw/zinc/70/75/56/568707556.db2.gz TYUMFUSXAPTHAA-IBGZPJMESA-N 0 0 405.462 2.646 50 0 HFAARN CC(C)Cn1c(CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21 ZINC000096231657 568707602 /nfs/dbraw/zinc/70/76/02/568707602.db2.gz KFGYHTQCBRQPAK-UHFFFAOYSA-N 0 0 403.486 2.830 50 0 HFAARN CC(C)[C@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000096232152 568707697 /nfs/dbraw/zinc/70/76/97/568707697.db2.gz DYEIXLCYPZNMMJ-IBGZPJMESA-N 0 0 405.458 2.848 50 0 HFAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cccc(Cl)c2)o1 ZINC000096232461 568708106 /nfs/dbraw/zinc/70/81/06/568708106.db2.gz UCUFBVSVYSDHQA-MRXNPFEDSA-N 0 0 407.850 2.526 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000096232443 568708167 /nfs/dbraw/zinc/70/81/67/568708167.db2.gz JOXJLIYGSKSYEV-IBGZPJMESA-N 0 0 411.458 2.586 50 0 HFAARN O=C(NCc1ccccc1Cl)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021526944 568709450 /nfs/dbraw/zinc/70/94/50/568709450.db2.gz JVFLYQCBTWCXPP-LJQANCHMSA-N 0 0 411.889 2.603 50 0 HFAARN C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCC3)ccc2N1C(=O)C1CC1 ZINC000021530294 568710601 /nfs/dbraw/zinc/71/06/01/568710601.db2.gz BYABTVHSGUXXJY-AWEZNQCLSA-N 0 0 404.532 2.597 50 0 HFAARN COc1cccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 ZINC000021531347 568711140 /nfs/dbraw/zinc/71/11/40/568711140.db2.gz GZTANGSDVQGJNE-UHFFFAOYSA-N 0 0 417.531 2.703 50 0 HFAARN CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000021531811 568711303 /nfs/dbraw/zinc/71/13/03/568711303.db2.gz KOXRNBVMHMRICI-UHFFFAOYSA-N 0 0 423.491 2.519 50 0 HFAARN O=C(c1cccn1-c1nnc(N2CCCCC2)s1)N1CCN(c2ccccn2)CC1 ZINC000021535426 568711824 /nfs/dbraw/zinc/71/18/24/568711824.db2.gz ZZJSOWRKDDKBEU-UHFFFAOYSA-N 0 0 423.546 2.677 50 0 HFAARN COC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc21 ZINC000025014528 568714239 /nfs/dbraw/zinc/71/42/39/568714239.db2.gz VERMMWJQGMEMPT-UHFFFAOYSA-N 0 0 424.432 2.980 50 0 HFAARN C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@H](C)O1 ZINC000229718258 568714913 /nfs/dbraw/zinc/71/49/13/568714913.db2.gz CDZJPQDNQHEVBY-XHSDSOJGSA-N 0 0 407.942 2.697 50 0 HFAARN CC[C@H](CCNC(=S)NC(=O)C1CCCC1)NC(=S)NC(=O)C1CCCC1 ZINC000005782641 568719730 /nfs/dbraw/zinc/71/97/30/568719730.db2.gz LOXIUQRGRRKWOX-OAHLLOKOSA-N 0 0 412.625 2.517 50 0 HFAARN CCOC(=O)c1ccc(N2C(=S)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000012421642 568721014 /nfs/dbraw/zinc/72/10/14/568721014.db2.gz XHKFZJGWKGNKHB-ROUUACIJSA-N 0 0 416.524 2.640 50 0 HFAARN CCCN1c2ccc(NC(=O)COC)cc2S(=O)(=O)N=C1c1cccc(C)c1 ZINC000096292420 568721115 /nfs/dbraw/zinc/72/11/15/568721115.db2.gz SIGLQHACBLAGAW-UHFFFAOYSA-N 0 0 401.488 2.945 50 0 HFAARN COc1cc(OC)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)c1 ZINC000096294884 568722376 /nfs/dbraw/zinc/72/23/76/568722376.db2.gz SZOOIHWQMPAMBA-CYBMUJFWSA-N 0 0 424.906 2.783 50 0 HFAARN O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccc(Cl)cc1 ZINC000012440186 568722973 /nfs/dbraw/zinc/72/29/73/568722973.db2.gz FUEROFTYMBUTLM-UHFFFAOYSA-N 0 0 407.861 2.942 50 0 HFAARN O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCCc1ccc(Cl)cc1 ZINC000012440075 568723322 /nfs/dbraw/zinc/72/33/22/568723322.db2.gz CCYVWRSNHXHUDT-UHFFFAOYSA-N 0 0 416.890 2.639 50 0 HFAARN C/C=C\c1ccc(OC[C@H](O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 ZINC000096305188 568723378 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CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000012522958 568842296 /nfs/dbraw/zinc/84/22/96/568842296.db2.gz UJHJICKAJKANIJ-UHFFFAOYSA-N 0 0 407.492 2.638 50 0 HFAARN COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F ZINC000057487505 568843316 /nfs/dbraw/zinc/84/33/16/568843316.db2.gz NLHNRURZDHDWBT-UHFFFAOYSA-N 0 0 407.492 2.831 50 0 HFAARN COCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488030 568843521 /nfs/dbraw/zinc/84/35/21/568843521.db2.gz BZKJXDAFJDCPKN-UHFFFAOYSA-N 0 0 409.920 2.955 50 0 HFAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000012530111 568844018 /nfs/dbraw/zinc/84/40/18/568844018.db2.gz GKYLPFBJRMKWHM-IBGZPJMESA-N 0 0 417.494 2.599 50 0 HFAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(Cl)c3)c2=O)no1 ZINC000057491383 568844078 /nfs/dbraw/zinc/84/40/78/568844078.db2.gz RHPYWOSRPWIUCS-UHFFFAOYSA-N 0 0 416.846 2.802 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)cc1 ZINC000012535066 568845059 /nfs/dbraw/zinc/84/50/59/568845059.db2.gz 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Cc1cccc(NC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)c1C ZINC000057520302 568849412 /nfs/dbraw/zinc/84/94/12/568849412.db2.gz JDGZZDMCRLJRGL-UHFFFAOYSA-N 0 0 422.514 2.902 50 0 HFAARN COc1cc(NC(=O)Cn2c(=O)cc(C)nc2-c2ccccc2)cc(OC)c1OC ZINC000057526558 568850676 /nfs/dbraw/zinc/85/06/76/568850676.db2.gz FNTJOTGXAXWFEV-UHFFFAOYSA-N 0 0 409.442 2.883 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)c(C)c1 ZINC000012549575 568852545 /nfs/dbraw/zinc/85/25/45/568852545.db2.gz MTWQYHZJKDLCFU-UHFFFAOYSA-N 0 0 424.526 2.636 50 0 HFAARN COC(=O)c1ccc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)s1 ZINC000029984880 568854690 /nfs/dbraw/zinc/85/46/90/568854690.db2.gz NGCXDCJGQMVGBB-UHFFFAOYSA-N 0 0 404.488 2.510 50 0 HFAARN C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012557176 568856167 /nfs/dbraw/zinc/85/61/67/568856167.db2.gz QNWOTEPGXFBICM-LBPRGKRZSA-N 0 0 409.537 2.913 50 0 HFAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000012557102 568856215 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CCOc1ccc(CCNC(=O)COC(=O)Cc2ccccc2OC)cc1OCC ZINC000012574834 568862426 /nfs/dbraw/zinc/86/24/26/568862426.db2.gz NZBFJUFHRZQTDH-UHFFFAOYSA-N 0 0 415.486 2.937 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000030372485 568862717 /nfs/dbraw/zinc/86/27/17/568862717.db2.gz DGRCRVDTCQRTNU-UHFFFAOYSA-N 0 0 408.545 2.740 50 0 HFAARN Cc1cc(=NC(=O)c2sc(C)nc2-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159133 568863068 /nfs/dbraw/zinc/86/30/68/568863068.db2.gz BUTAIJQWYAOEMG-HNNXBMFYSA-N 0 0 416.528 2.657 50 0 HFAARN CC[C@@](C)(C(=O)Nc1c(C)cccc1C)N(C(=O)Cn1nnnc1N)c1ccccc1 ZINC000003622185 568864354 /nfs/dbraw/zinc/86/43/54/568864354.db2.gz GHAVJPXNVBRSHC-QFIPXVFZSA-N 0 0 421.505 2.713 50 0 HFAARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O ZINC000003636496 568865076 /nfs/dbraw/zinc/86/50/76/568865076.db2.gz RKLCHDKVXVPIBY-GTNSWQLSSA-N 0 0 418.471 2.832 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(CN3CCC[C@H](CO)C3)c2c1 ZINC000003244581 568866807 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O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)NCc1ccc(F)cc1 ZINC000015882774 569019147 /nfs/dbraw/zinc/01/91/47/569019147.db2.gz PAZFODYSYPBZBZ-UHFFFAOYSA-N 0 0 424.501 2.723 50 0 HFAARN CCCc1noc([C@H](C)Sc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)n1 ZINC000012883640 569019341 /nfs/dbraw/zinc/01/93/41/569019341.db2.gz CWVOGXWIGBMKEH-NSHDSACASA-N 0 0 418.523 2.643 50 0 HFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000015883973 569019814 /nfs/dbraw/zinc/01/98/14/569019814.db2.gz HVUPNNGDEINKNY-UHFFFAOYSA-N 0 0 405.506 2.748 50 0 HFAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012898859 569020492 /nfs/dbraw/zinc/02/04/92/569020492.db2.gz AIEKBERFLDHGAJ-UHFFFAOYSA-N 0 0 417.513 2.791 50 0 HFAARN COCCCNC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000012902595 569020689 /nfs/dbraw/zinc/02/06/89/569020689.db2.gz WCKJRSYELFFXQU-UHFFFAOYSA-N 0 0 403.475 2.909 50 0 biogenic HFAARN Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000012901568 569020846 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O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015942599 569024231 /nfs/dbraw/zinc/02/42/31/569024231.db2.gz QTZBAQKHKZFAFU-UHFFFAOYSA-N 0 0 416.481 2.862 50 0 HFAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccccc2SCC(N)=O)c1C ZINC000012928862 569024295 /nfs/dbraw/zinc/02/42/95/569024295.db2.gz CSPCWKOARUCQBU-AWEZNQCLSA-N 0 0 418.515 2.929 50 0 HFAARN Cc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)C2)cc1 ZINC000015962794 569024869 /nfs/dbraw/zinc/02/48/69/569024869.db2.gz BJKXSLTYDOLENZ-IRFCIJBXSA-N 0 0 421.607 2.588 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)CC2 ZINC000015977147 569025144 /nfs/dbraw/zinc/02/51/44/569025144.db2.gz MMCPVXIPMRPILJ-UHFFFAOYSA-N 0 0 418.515 2.589 50 0 HFAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414855 569025531 /nfs/dbraw/zinc/02/55/31/569025531.db2.gz MEJCHIXPJDUPSC-GKCIPKSASA-N 0 0 419.474 2.742 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000016033907 569027941 /nfs/dbraw/zinc/02/79/41/569027941.db2.gz OKWVSEAJCQWYPN-WQFQCULDSA-N 0 0 423.513 2.642 50 0 HFAARN CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016040654 569028196 /nfs/dbraw/zinc/02/81/96/569028196.db2.gz DPLNZRQFKDPHCX-CLAROIROSA-N 0 0 416.433 2.562 50 0 biogenic HFAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3)n2)s1 ZINC000012942840 569028702 /nfs/dbraw/zinc/02/87/02/569028702.db2.gz GJXFXJZASSMCQG-UHFFFAOYSA-N 0 0 414.512 2.876 50 0 HFAARN O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012943436 569028810 /nfs/dbraw/zinc/02/88/10/569028810.db2.gz GLZVGRDBKKVOHQ-CQSZACIVSA-N 0 0 402.438 2.895 50 0 HFAARN CC(C)n1ncc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(Cl)c3)cnc21 ZINC000012951310 569029610 /nfs/dbraw/zinc/02/96/10/569029610.db2.gz JLQYWFMBIWWRJB-GFCCVEGCSA-N 0 0 421.910 2.971 50 0 HFAARN Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c3ccccc3n2)o1 ZINC000035310635 569031109 /nfs/dbraw/zinc/03/11/09/569031109.db2.gz LELGWSQPUYSFRF-UHFFFAOYSA-N 0 0 418.497 2.840 50 0 HFAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccs1)n1nc(C)cc1C ZINC000575611295 569032414 /nfs/dbraw/zinc/03/24/14/569032414.db2.gz UOBNIFQDEHWRCQ-KRWDZBQOSA-N 0 0 412.515 2.592 50 0 HFAARN Cc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 ZINC000006204305 569032755 /nfs/dbraw/zinc/03/27/55/569032755.db2.gz HGDVBIABNJTHTE-UHFFFAOYSA-N 0 0 401.536 2.595 50 0 HFAARN O=C(CN1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1)NC1CC1 ZINC000035326229 569032839 /nfs/dbraw/zinc/03/28/39/569032839.db2.gz UVFZEMOCWBSMFI-UHFFFAOYSA-N 0 0 416.525 2.731 50 0 HFAARN CN(C)C(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1 ZINC000026557888 569033037 /nfs/dbraw/zinc/03/30/37/569033037.db2.gz JKUVLRLGQVPTAN-GOSISDBHSA-N 0 0 418.515 2.750 50 0 HFAARN CC(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000035335101 569033146 /nfs/dbraw/zinc/03/31/46/569033146.db2.gz YPFMZJAGYAGCHF-SFHVURJKSA-N 0 0 421.607 2.954 50 0 HFAARN O=C(CN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1)N1CCCCC1 ZINC000035354837 569033449 /nfs/dbraw/zinc/03/34/49/569033449.db2.gz JMEMXTIUAKHCMW-UHFFFAOYSA-N 0 0 421.545 2.520 50 0 HFAARN CCc1cccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)c1 ZINC000035375595 569034044 /nfs/dbraw/zinc/03/40/44/569034044.db2.gz DIVAUEJRFVLPSU-UHFFFAOYSA-N 0 0 417.513 2.771 50 0 HFAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)N4CCC5(CC4)OCCO5)cc32)cc1 ZINC000035377515 569034485 /nfs/dbraw/zinc/03/44/85/569034485.db2.gz RPNWCXWMOIUAMP-UHFFFAOYSA-N 0 0 422.481 2.900 50 0 HFAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)N1CCCC1=O ZINC000035387097 569034524 /nfs/dbraw/zinc/03/45/24/569034524.db2.gz ALORMBMFWUPRMC-KTKRTIGZSA-N 0 0 401.850 2.599 50 0 HFAARN CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c1c1ccccc1oc2=O ZINC000035396884 569034735 /nfs/dbraw/zinc/03/47/35/569034735.db2.gz CVAMULQQDBYZRE-UHFFFAOYSA-N 0 0 403.442 2.520 50 0 HFAARN CCN(CC[NH+](C)C)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000035397474 569034811 /nfs/dbraw/zinc/03/48/11/569034811.db2.gz KUEFPTXRYJKIDF-UHFFFAOYSA-N 0 0 420.535 2.585 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1 ZINC000575615528 569036170 /nfs/dbraw/zinc/03/61/70/569036170.db2.gz QBCTVDBZOSOLJM-UHFFFAOYSA-N 0 0 419.528 2.994 50 0 HFAARN COc1cc2[nH]c3c(ncn(CC(=O)Nc4ccc(F)cc4F)c3=O)c2cc1OC ZINC000035423672 569036370 /nfs/dbraw/zinc/03/63/70/569036370.db2.gz OCCAFTOYRZGIPH-UHFFFAOYSA-N 0 0 414.368 2.812 50 0 HFAARN Cc1cc(-c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)o2)n[nH]1 ZINC000035424644 569036510 /nfs/dbraw/zinc/03/65/10/569036510.db2.gz VSZMSAQZTQWIAN-UHFFFAOYSA-N 0 0 420.535 2.637 50 0 HFAARN Cc1cccc(C2=NC3(CCN(CC(=O)Nc4cc(C)cc(C)c4)CC3)NC2=O)c1 ZINC000035430806 569036839 /nfs/dbraw/zinc/03/68/39/569036839.db2.gz LICYJDUYAPHOGA-UHFFFAOYSA-N 0 0 404.514 2.962 50 0 biogenic HFAARN Cc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)NC2=O)c1 ZINC000035432560 569036990 /nfs/dbraw/zinc/03/69/90/569036990.db2.gz RWKZYEOUMXXKQP-UHFFFAOYSA-N 0 0 417.918 2.748 50 0 HFAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cn2C)cc1 ZINC000035431345 569037065 /nfs/dbraw/zinc/03/70/65/569037065.db2.gz JNLBXSKHRPDRPP-UHFFFAOYSA-N 0 0 405.520 2.528 50 0 HFAARN O=C1NC2(CCN(S(=O)(=O)c3ccccc3F)CC2)N=C1c1ccc(Cl)cc1 ZINC000035445310 569037165 /nfs/dbraw/zinc/03/71/65/569037165.db2.gz WGJPGMATFPZGLI-UHFFFAOYSA-N 0 0 421.881 2.579 50 0 HFAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)[C@@H]1CCCCN21 ZINC000035445524 569037172 /nfs/dbraw/zinc/03/71/72/569037172.db2.gz YDZHJUUIZBQLKV-IBGZPJMESA-N 0 0 424.476 2.872 50 0 HFAARN Cc1ccc(N2C[C@@H](C(=O)NCc3cccnc3-c3cnn(C)c3)CC2=O)cc1C ZINC000575618035 569037645 /nfs/dbraw/zinc/03/76/45/569037645.db2.gz GYZVVEFJJBIJLW-SFHVURJKSA-N 0 0 403.486 2.768 50 0 HFAARN COc1ccc(Br)cc1CN(C)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000006288513 569037662 /nfs/dbraw/zinc/03/76/62/569037662.db2.gz NZVCULRUUBLFMC-UHFFFAOYSA-N 0 0 416.275 2.977 50 0 HFAARN Cc1nc2c(c(=O)n1CC(=O)Nc1ccccc1F)CCN(Cc1ccccc1)C2 ZINC000035455981 569037892 /nfs/dbraw/zinc/03/78/92/569037892.db2.gz MKIIXAJASWLUEY-UHFFFAOYSA-N 0 0 406.461 2.888 50 0 HFAARN COCCCNC(=O)c1ccc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000035458072 569037976 /nfs/dbraw/zinc/03/79/76/569037976.db2.gz NDQALIKQGCAFHW-OAQYLSRUSA-N 0 0 421.497 2.604 50 0 HFAARN COCCCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000035458942 569037988 /nfs/dbraw/zinc/03/79/88/569037988.db2.gz VOCKJWIZFUPPFT-NRFANRHFSA-N 0 0 421.497 2.604 50 0 HFAARN O=S(=O)(NC[C@H](OCCO)c1cccs1)c1ccccc1Br ZINC000575621806 569039010 /nfs/dbraw/zinc/03/90/10/569039010.db2.gz UXVNLLYXQZOSBW-LBPRGKRZSA-N 0 0 406.323 2.539 50 0 HFAARN CCCCNC(=O)c1sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000006656371 569039262 /nfs/dbraw/zinc/03/92/62/569039262.db2.gz BBIJHNRDANEVSZ-KBPBESRZSA-N 0 0 418.563 2.801 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000006314422 569040180 /nfs/dbraw/zinc/04/01/80/569040180.db2.gz JCKLUVSDDMQHRZ-UHFFFAOYSA-N 0 0 400.378 2.566 50 0 HFAARN O=C(Cn1c2ncccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000035503967 569040771 /nfs/dbraw/zinc/04/07/71/569040771.db2.gz JWRLODFBAZVFPG-UHFFFAOYSA-N 0 0 402.410 2.597 50 0 HFAARN CC(=O)O[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000089265709 569041101 /nfs/dbraw/zinc/04/11/01/569041101.db2.gz ARWFNJGMYVZBLT-QZTJIDSGSA-N 0 0 400.500 2.643 50 0 HFAARN Cc1nnc(NC(=O)CN2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)s1 ZINC000090567241 569041218 /nfs/dbraw/zinc/04/12/18/569041218.db2.gz YEXPUHUDEUAHKF-UHFFFAOYSA-N 0 0 424.408 2.953 50 0 HFAARN CCc1cccc(NC(=O)CN2C(=O)C(C)=C(c3ccc(OC)cc3)S2(=O)=O)c1 ZINC000035534633 569043399 /nfs/dbraw/zinc/04/33/99/569043399.db2.gz ZFSOCEHSUCYLJA-UHFFFAOYSA-N 0 0 414.483 2.799 50 0 HFAARN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCCN1CCOCC1 ZINC000035528850 569044101 /nfs/dbraw/zinc/04/41/01/569044101.db2.gz HFOSLEJODLZHRB-UHFFFAOYSA-N 0 0 422.957 2.813 50 0 HFAARN Cn1c2ccccc2s/c1=N/C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006332597 569044151 /nfs/dbraw/zinc/04/41/51/569044151.db2.gz XYCJLXYKEULUMH-FMQUCBEESA-N 0 0 401.513 2.765 50 0 HFAARN COc1cccc(NC(=O)CCc2c(C)nn(-c3ccc4nnc(C)n4n3)c2C)c1 ZINC000035556524 569044707 /nfs/dbraw/zinc/04/47/07/569044707.db2.gz LXALOWIFQKXJLO-UHFFFAOYSA-N 0 0 405.462 2.815 50 0 HFAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)CCCc2ccccc2)C[C@H](C)O1 ZINC000035590457 569045376 /nfs/dbraw/zinc/04/53/76/569045376.db2.gz ADQVYNYGMVSSPQ-HDICACEKSA-N 0 0 422.533 2.579 50 0 HFAARN COc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1F ZINC000035593013 569045486 /nfs/dbraw/zinc/04/54/86/569045486.db2.gz LLUFXQNRMSXOIE-FQEVSTJZSA-N 0 0 408.495 2.576 50 0 HFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CCN(C(C)=O)CC1)C[C@@H](C)CC2 ZINC000035600721 569045935 /nfs/dbraw/zinc/04/59/35/569045935.db2.gz ZNVPQHSFDXTAKS-UONOGXRCSA-N 0 0 421.563 2.541 50 0 HFAARN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000012983557 569047635 /nfs/dbraw/zinc/04/76/35/569047635.db2.gz NIQOZAOMCHKYRG-SECBINFHSA-N 0 0 418.805 2.967 50 0 HFAARN COCCN1C(=O)N[C@@H](c2ccc(Br)cc2F)C(C(=O)OC)=C1C ZINC000013005251 569049566 /nfs/dbraw/zinc/04/95/66/569049566.db2.gz AQMUAJIFUCNZAV-AWEZNQCLSA-N 0 0 401.232 2.748 50 0 HFAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3F)CC2)nn1-c1ccccc1 ZINC000013006131 569049687 /nfs/dbraw/zinc/04/96/87/569049687.db2.gz CHNNVYOOXYNJGM-UHFFFAOYSA-N 0 0 406.461 2.638 50 0 HFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000013007374 569049793 /nfs/dbraw/zinc/04/97/93/569049793.db2.gz XFSPPZPFCVDZKY-ZDUSSCGKSA-N 0 0 405.863 2.703 50 0 HFAARN COc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1OC ZINC000035686214 569050455 /nfs/dbraw/zinc/05/04/55/569050455.db2.gz JGYPETXGAOMZJK-QGZVFWFLSA-N 0 0 413.470 2.957 50 0 HFAARN COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000035686266 569050560 /nfs/dbraw/zinc/05/05/60/569050560.db2.gz KAXPKFJEWKYYGN-LLVKDONJSA-N 0 0 411.414 2.671 50 0 HFAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3c(s2)CCC3)c(=O)[nH]c1=O ZINC000013016295 569050825 /nfs/dbraw/zinc/05/08/25/569050825.db2.gz TYMOQYKYGFNBTE-UHFFFAOYSA-N 0 0 404.536 2.772 50 0 HFAARN NC(=O)C1CCN(C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)CC1 ZINC000013013901 569050981 /nfs/dbraw/zinc/05/09/81/569050981.db2.gz XJYZYNDRPKPCFS-UHFFFAOYSA-N 0 0 417.575 2.813 50 0 HFAARN COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000013017745 569050999 /nfs/dbraw/zinc/05/09/99/569050999.db2.gz XFIJPVLAHPJQKA-UHFFFAOYSA-N 0 0 410.470 2.555 50 0 HFAARN Cc1ccc([C@H](NC(=O)CNC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1C ZINC000013019201 569051008 /nfs/dbraw/zinc/05/10/08/569051008.db2.gz BSCYUWZNGRVDBR-HSZRJFAPSA-N 0 0 419.481 2.648 50 0 HFAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCn1cccc1 ZINC000524729120 569051581 /nfs/dbraw/zinc/05/15/81/569051581.db2.gz DTHBAQKQQVKAOI-JOCHJYFZSA-N 0 0 414.465 2.809 50 0 biogenic HFAARN COCCNC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccc(OC)cc1 ZINC000035703744 569052688 /nfs/dbraw/zinc/05/26/88/569052688.db2.gz NWUSBOXYAKBLLW-WIYYLYMNSA-N 0 0 400.500 2.714 50 0 HFAARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1 ZINC000137152330 569053638 /nfs/dbraw/zinc/05/36/38/569053638.db2.gz QAONMRVTLPIMFN-GLHSZLCASA-N 0 0 424.884 2.951 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](CCSC)C(=O)OC ZINC000239310251 569054174 /nfs/dbraw/zinc/05/41/74/569054174.db2.gz IGJYQBVVOMWCIQ-VNPUNGKLSA-N 0 0 400.585 2.755 50 0 HFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)C1 ZINC000239402707 569054289 /nfs/dbraw/zinc/05/42/89/569054289.db2.gz RCBFQKMGBAZRPC-FOIQADDNSA-N 0 0 416.499 2.886 50 0 HFAARN C[C@H](OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1ncc(Cl)cc1Cl ZINC000241171019 569054710 /nfs/dbraw/zinc/05/47/10/569054710.db2.gz KDQCOQBSQUMNPU-VCAYMJSRSA-N 0 0 418.302 2.713 50 0 HFAARN CC(=O)Oc1ccc2c(c1)occ([C@H]1[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O ZINC000001830144 569056304 /nfs/dbraw/zinc/05/63/04/569056304.db2.gz QLPUCPGOPUIEDP-GHTZIAJQSA-N 0 0 418.405 2.888 50 0 biogenic HFAARN CCn1c2ccccc2nc1S[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000089305502 569058327 /nfs/dbraw/zinc/05/83/27/569058327.db2.gz HCINWGFOGCUGJW-QGZVFWFLSA-N 0 0 409.467 2.986 50 0 HFAARN COc1ccc(CCNC(=O)CSc2nnc3[nH]c4ccccc4n32)cc1OC ZINC000006476427 569058591 /nfs/dbraw/zinc/05/85/91/569058591.db2.gz XQXAGPDNVCQJRR-UHFFFAOYSA-N 0 0 411.487 2.679 50 0 HFAARN CNC(=O)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000089391569 569059176 /nfs/dbraw/zinc/05/91/76/569059176.db2.gz WZQSZQJGINKYKA-UHFFFAOYSA-N 0 0 406.939 2.642 50 0 HFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cnc(N)c(Cl)c1 ZINC000089429417 569060373 /nfs/dbraw/zinc/06/03/73/569060373.db2.gz NBACKBSYBBILIP-OAHLLOKOSA-N 0 0 419.865 2.637 50 0 HFAARN COc1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000089467212 569060909 /nfs/dbraw/zinc/06/09/09/569060909.db2.gz IXHWVMGVYSYSLV-UHFFFAOYSA-N 0 0 417.483 2.910 50 0 HFAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCC(C(=O)OCC)CC1)CCC2 ZINC000006497668 569061374 /nfs/dbraw/zinc/06/13/74/569061374.db2.gz FDIDSKXUZXIAHP-UHFFFAOYSA-N 0 0 408.520 2.627 50 0 HFAARN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1O ZINC000006497865 569061416 /nfs/dbraw/zinc/06/14/16/569061416.db2.gz TWMXLFFIGBQZJN-CLTKARDFSA-N 0 0 407.325 2.917 50 0 HFAARN CC[C@@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccncc4)no3)c(C)c2c1=O ZINC000064439273 569062198 /nfs/dbraw/zinc/06/21/98/569062198.db2.gz BBVAHJLUZRJEMM-LLVKDONJSA-N 0 0 424.486 2.793 50 0 HFAARN Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(N(C)C)nc3ccccc3n2c1=O ZINC000064449128 569062536 /nfs/dbraw/zinc/06/25/36/569062536.db2.gz ADXOXLKZQWUAQO-UHFFFAOYSA-N 0 0 410.865 2.711 50 0 HFAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)C(=O)OC ZINC000035844835 569062570 /nfs/dbraw/zinc/06/25/70/569062570.db2.gz GKZJWBJXMMTXEK-IBGZPJMESA-N 0 0 416.518 2.669 50 0 HFAARN Cc1ccc(N2C[C@H](c3nc(CCS(=O)(=O)c4ccccc4)no3)CC2=O)cc1 ZINC000064459531 569062980 /nfs/dbraw/zinc/06/29/80/569062980.db2.gz IZXJLFZVMJJUKC-MRXNPFEDSA-N 0 0 411.483 2.915 50 0 HFAARN CC(C)C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035876463 569064275 /nfs/dbraw/zinc/06/42/75/569064275.db2.gz USRGOPGKTINNHO-WOJBJXKFSA-N 0 0 423.513 2.642 50 0 HFAARN CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(NC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000006560174 569065742 /nfs/dbraw/zinc/06/57/42/569065742.db2.gz TZMKJHWDJOGURJ-UONOGXRCSA-N 0 0 422.576 2.578 50 0 HFAARN Cc1noc(-c2nn(C)c3c2CN(C(=O)c2cccc(OC(F)(F)F)c2)CC3)n1 ZINC000064566240 569067193 /nfs/dbraw/zinc/06/71/93/569067193.db2.gz UQGSDVVVBFIVLA-UHFFFAOYSA-N 0 0 407.352 2.876 50 0 HFAARN CSc1nnc(-c2nn(C)c3c2CN(C(=O)c2cccc(Cl)c2)CC3)n1C ZINC000064567075 569067256 /nfs/dbraw/zinc/06/72/56/569067256.db2.gz JTIYQTZYRYBSOO-UHFFFAOYSA-N 0 0 402.911 2.789 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2c3cccc(C)c3ncn2c1=O ZINC000064567765 569067433 /nfs/dbraw/zinc/06/74/33/569067433.db2.gz FNBRRYSSRGUSAG-UHFFFAOYSA-N 0 0 411.849 2.962 50 0 HFAARN COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)CC(=O)Nc1cccc(OC)c1 ZINC000006590421 569068446 /nfs/dbraw/zinc/06/84/46/569068446.db2.gz YSXTZHGIMUKEEC-UHFFFAOYSA-N 0 0 419.503 2.669 50 0 HFAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NC3CC3)C2)[C@@H](c2ccccc2)NC1=O ZINC000035964318 569069056 /nfs/dbraw/zinc/06/90/56/569069056.db2.gz XISOMIJWUFEZQH-YLJYHZDGSA-N 0 0 410.518 2.562 50 0 HFAARN COc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(C)c4)nnc3c2=O)cc1 ZINC000064593147 569069474 /nfs/dbraw/zinc/06/94/74/569069474.db2.gz BNTDNEKLRXPXDB-UHFFFAOYSA-N 0 0 421.482 2.928 50 0 HFAARN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C(C)=O)cc3)C1=O)CC2 ZINC000100792999 569069877 /nfs/dbraw/zinc/06/98/77/569069877.db2.gz IWZHKXBUEMYWRB-IBGZPJMESA-N 0 0 408.454 2.597 50 0 biogenic HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(c3cc(Cl)c(OC)cc3OC)=NO2)C1 ZINC000004806468 569071512 /nfs/dbraw/zinc/07/15/12/569071512.db2.gz GVMOJJSNQMXKEJ-XIKOKIGWSA-N 0 0 424.881 2.652 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000006607927 569071858 /nfs/dbraw/zinc/07/18/58/569071858.db2.gz PJHXVHDTAZJEHE-UHFFFAOYSA-N 0 0 412.511 2.879 50 0 HFAARN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cn5cccnc5n4)C3)C2=O)c1 ZINC000426374105 569072521 /nfs/dbraw/zinc/07/25/21/569072521.db2.gz AQNVAWCBETTXCD-QHCPKHFHSA-N 0 0 403.486 2.693 50 0 HFAARN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)c3nncn3C)csc2C1 ZINC000426471585 569073223 /nfs/dbraw/zinc/07/32/23/569073223.db2.gz OPNOAOSKBFMCFY-LBPRGKRZSA-N 0 0 400.508 2.531 50 0 HFAARN CNC(=O)[C@@H]1CCCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426574722 569073492 /nfs/dbraw/zinc/07/34/92/569073492.db2.gz LIEGEBJARZWIJJ-OAHLLOKOSA-N 0 0 416.547 2.509 50 0 HFAARN CCOC(=O)C1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)CC1 ZINC000006612660 569074288 /nfs/dbraw/zinc/07/42/88/569074288.db2.gz JTXPKGMUXQBNKZ-ZDUSSCGKSA-N 0 0 422.547 2.873 50 0 HFAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)C(C)C)CC2)n1 ZINC000036002213 569075286 /nfs/dbraw/zinc/07/52/86/569075286.db2.gz GPIOYPWWSVDEJO-UHFFFAOYSA-N 0 0 422.533 2.965 50 0 HFAARN CCc1cc(=O)oc2cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc12 ZINC000006624451 569075564 /nfs/dbraw/zinc/07/55/64/569075564.db2.gz IVSUPTAUFOUKSO-WBVHZDCISA-N 0 0 420.465 2.542 50 0 biogenic HFAARN CCNC(=O)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036014187 569076406 /nfs/dbraw/zinc/07/64/06/569076406.db2.gz TXZRSHYEGUNYBK-OAQYLSRUSA-N 0 0 424.520 2.890 50 0 HFAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(C2CC2)S(=O)(=O)c2ccccc2)c(C)n1C ZINC000036018924 569077298 /nfs/dbraw/zinc/07/72/98/569077298.db2.gz WFMCSHXNBSXZMX-HNNXBMFYSA-N 0 0 418.515 2.853 50 0 HFAARN CC[C@H](C)CN1C(=O)[C@@H](C(C)C)NC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024580 569077590 /nfs/dbraw/zinc/07/75/90/569077590.db2.gz NASPXEWCEVURFL-PKOBYXMFSA-N 0 0 407.580 2.670 50 0 HFAARN CCCCn1c2nc(COC(=O)c3ccc(F)cc3F)n(CCC)c2c(=O)[nH]c1=O ZINC000006648028 569080741 /nfs/dbraw/zinc/08/07/41/569080741.db2.gz TXFBITGEEFPHKF-UHFFFAOYSA-N 0 0 420.416 2.732 50 0 HFAARN CCCNC(=O)[C@H]1CN(C(=S)NC(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044695 569081789 /nfs/dbraw/zinc/08/17/89/569081789.db2.gz KHAWAXMCTVCBKD-CVEARBPZSA-N 0 0 423.579 2.537 50 0 HFAARN CCCNC(=O)[C@H]1CN(C(=O)NC(C)(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044643 569081829 /nfs/dbraw/zinc/08/18/29/569081829.db2.gz OJPLFMSWYLOTSX-CVEARBPZSA-N 0 0 421.538 2.762 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000006657660 569083191 /nfs/dbraw/zinc/08/31/91/569083191.db2.gz MHDHAMAOXWZASV-UHFFFAOYSA-N 0 0 414.487 2.805 50 0 HFAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)N1CCOCC1 ZINC000036051809 569083825 /nfs/dbraw/zinc/08/38/25/569083825.db2.gz HXKGDAHCYVBWTG-UXHICEINSA-N 0 0 412.461 2.549 50 0 HFAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)N1CCOCC1 ZINC000036051811 569083862 /nfs/dbraw/zinc/08/38/62/569083862.db2.gz HXKGDAHCYVBWTG-WOJBJXKFSA-N 0 0 412.461 2.549 50 0 HFAARN CCc1cc(=O)oc2cc(OCC(=O)NCCCN3CCCC3=O)c(Cl)cc12 ZINC000006659706 569083982 /nfs/dbraw/zinc/08/39/82/569083982.db2.gz ZVOFGXVBSYJJHF-UHFFFAOYSA-N 0 0 406.866 2.516 50 0 HFAARN COc1ccc([C@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059657 569084933 /nfs/dbraw/zinc/08/49/33/569084933.db2.gz VUDCMTJKBFDELV-QZTJIDSGSA-N 0 0 400.475 2.925 50 0 HFAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CC1 ZINC000036062818 569085635 /nfs/dbraw/zinc/08/56/35/569085635.db2.gz JCFDUFGUSVYGGR-UHFFFAOYSA-N 0 0 421.545 2.831 50 0 HFAARN C[C@@H]1CCc2c(sc(NC(=O)Cn3c4ccccc4sc3=O)c2C(N)=O)C1 ZINC000006662685 569085695 /nfs/dbraw/zinc/08/56/95/569085695.db2.gz JEYRTDXRCHKOBY-SNVBAGLBSA-N 0 0 401.513 2.987 50 0 HFAARN O=C(Cn1c(=O)c2sccc2n(Cc2ccc(Cl)cc2)c1=O)N1CCCCC1 ZINC000006670433 569086761 /nfs/dbraw/zinc/08/67/61/569086761.db2.gz SZCFIGJWFUSHJT-UHFFFAOYSA-N 0 0 417.918 2.939 50 0 HFAARN CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCCCOC(C)C ZINC000006672262 569087205 /nfs/dbraw/zinc/08/72/05/569087205.db2.gz TWGUQPXZFMYMHR-SFHVURJKSA-N 0 0 415.538 2.912 50 0 HFAARN 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CCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(OCC)c(OCC)c2)cn1C ZINC000006949114 569188359 /nfs/dbraw/zinc/18/83/59/569188359.db2.gz CKRMKTSUNPFVBW-UHFFFAOYSA-N 0 0 424.519 2.520 50 0 HFAARN CC[C@H](C)NC(=O)c1sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c2c1C ZINC000006947900 569188555 /nfs/dbraw/zinc/18/85/55/569188555.db2.gz OWJJBPZULPRACZ-ZDUSSCGKSA-N 0 0 404.536 2.553 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C(C)C)C3CCCCC3)CC2)cc1 ZINC000036476265 569190286 /nfs/dbraw/zinc/19/02/86/569190286.db2.gz HKCHNHYGOLSIIQ-UHFFFAOYSA-N 0 0 421.607 2.871 50 0 HFAARN CCc1nn2c(nc(C)c2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)s1 ZINC000065183752 569191132 /nfs/dbraw/zinc/19/11/32/569191132.db2.gz HAHMTSJZMFJPHZ-UHFFFAOYSA-N 0 0 419.576 2.789 50 0 HFAARN COc1ccc(CNS(=O)(=O)c2ccc(Br)c3nsnc32)cc1 ZINC000006973631 569191992 /nfs/dbraw/zinc/19/19/92/569191992.db2.gz ZYNISEDVJUNBAQ-UHFFFAOYSA-N 0 0 414.306 2.941 50 0 HFAARN CCOc1ccccc1CNS(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C)o1 ZINC000065194158 569192692 /nfs/dbraw/zinc/19/26/92/569192692.db2.gz YQTLTDHBPASRPR-UHFFFAOYSA-N 0 0 404.492 2.878 50 0 HFAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3nc(-c4cccnc4)no3)ccc2=O)c1 ZINC000065197602 569193110 /nfs/dbraw/zinc/19/31/10/569193110.db2.gz IBXZUYMWEYEQTC-UHFFFAOYSA-N 0 0 402.414 2.611 50 0 HFAARN CCc1ccc(NC(=O)Cn2nc(-c3nc(-c4cccnc4)no3)ccc2=O)cc1 ZINC000065197597 569193126 /nfs/dbraw/zinc/19/31/26/569193126.db2.gz FLGSXQCHHOUBCG-UHFFFAOYSA-N 0 0 402.414 2.556 50 0 HFAARN Cc1cccc(NC(=O)Cn2nc(-c3nc(-c4cccnc4)no3)ccc2=O)c1C ZINC000065197599 569193143 /nfs/dbraw/zinc/19/31/43/569193143.db2.gz UHWWLPNCPJSSFN-UHFFFAOYSA-N 0 0 402.414 2.611 50 0 HFAARN CCOc1cc(=O)c(C(=O)N2CCC[C@H](C)C2)nn1-c1cc(OC)cc(OC)c1 ZINC000065198386 569193352 /nfs/dbraw/zinc/19/33/52/569193352.db2.gz DWSUSECWVHMUDN-AWEZNQCLSA-N 0 0 401.463 2.521 50 0 HFAARN COc1cccc(-c2noc(Cn3ccn(-c4c(C)cccc4C)c(=O)c3=O)n2)c1 ZINC000065198570 569193381 /nfs/dbraw/zinc/19/33/81/569193381.db2.gz QJISSLDZOSJWJK-UHFFFAOYSA-N 0 0 404.426 2.723 50 0 HFAARN COc1ccc(-c2nc(C)cc3nn(CC(=O)Nc4cccc(OC)c4)c(=O)n32)cc1 ZINC000065196499 569194665 /nfs/dbraw/zinc/19/46/65/569194665.db2.gz FTVZTIFAGOHDSQ-UHFFFAOYSA-N 0 0 419.441 2.522 50 0 HFAARN COCc1cc2nn(CC(=O)Nc3ccc(C)cc3)c(=O)n2c(-c2ccccc2)n1 ZINC000065196581 569194697 /nfs/dbraw/zinc/19/46/97/569194697.db2.gz DQHMEPDKHXFESH-UHFFFAOYSA-N 0 0 403.442 2.652 50 0 HFAARN Cc1cc2nn(CC(=O)N3CCCC3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065196571 569194706 /nfs/dbraw/zinc/19/47/06/569194706.db2.gz RVRKRBNFLGYGKY-UHFFFAOYSA-N 0 0 405.380 2.508 50 0 HFAARN Cc1nc(-c2ccncc2)cc2nn(CC(=O)Nc3cccc(Cl)c3C)c(=O)n21 ZINC000065196677 569194758 /nfs/dbraw/zinc/19/47/58/569194758.db2.gz YHRYJFOQNBROGA-UHFFFAOYSA-N 0 0 408.849 2.862 50 0 HFAARN CCN(C(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O)c1cccc(C)c1 ZINC000065196789 569194902 /nfs/dbraw/zinc/19/49/02/569194902.db2.gz WTIAOFGPYHRYEK-UHFFFAOYSA-N 0 0 402.458 2.623 50 0 HFAARN Cc1cc(C)cc(NC(=O)CN2N=C(c3nc(-c4ccncc4)no3)CCC2=O)c1 ZINC000065197248 569195116 /nfs/dbraw/zinc/19/51/16/569195116.db2.gz OXXHECMNDACXML-UHFFFAOYSA-N 0 0 404.430 2.714 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCC2 ZINC000006984250 569195809 /nfs/dbraw/zinc/19/58/09/569195809.db2.gz AMLMCXQWNKQGNJ-OAHLLOKOSA-N 0 0 407.561 2.682 50 0 HFAARN CN1CCN(C(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn43)cc2)CC1 ZINC000065209861 569196562 /nfs/dbraw/zinc/19/65/62/569196562.db2.gz ODQATDMONCVGAF-UHFFFAOYSA-N 0 0 418.501 2.523 50 0 HFAARN Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1F ZINC000006998957 569196731 /nfs/dbraw/zinc/19/67/31/569196731.db2.gz RQHQIHBPNFVPOD-UHFFFAOYSA-N 0 0 416.844 2.530 50 0 HFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1N ZINC000006999759 569196809 /nfs/dbraw/zinc/19/68/09/569196809.db2.gz CRWDTYDLUVAMKU-UHFFFAOYSA-N 0 0 412.425 2.598 50 0 HFAARN CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)cc1 ZINC000006999809 569196823 /nfs/dbraw/zinc/19/68/23/569196823.db2.gz DIFMXBQEZFEBBB-UHFFFAOYSA-N 0 0 408.462 2.631 50 0 HFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(Cl)cc2)c1N ZINC000006999753 569196865 /nfs/dbraw/zinc/19/68/65/569196865.db2.gz AGKQPARWVNMNFO-UHFFFAOYSA-N 0 0 414.853 2.803 50 0 HFAARN COc1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc(OC)c1OC ZINC000007006539 569199481 /nfs/dbraw/zinc/19/94/81/569199481.db2.gz LBRFCPVRQTZTTP-UHFFFAOYSA-N 0 0 406.460 2.505 50 0 HFAARN CCc1ccc(NC(=O)N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H](C2)O3)cc1 ZINC000065225154 569199513 /nfs/dbraw/zinc/19/95/13/569199513.db2.gz CPHYXITZVIKBBO-KDURUIRLSA-N 0 0 415.515 2.555 50 0 HFAARN O=C(Nc1ccc(Cl)cc1)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226670 569200031 /nfs/dbraw/zinc/20/00/31/569200031.db2.gz XIJAMFWZZAHXSW-UHFFFAOYSA-N 0 0 401.898 2.822 50 0 HFAARN CCOc1ccccc1NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1 ZINC000065226657 569200134 /nfs/dbraw/zinc/20/01/34/569200134.db2.gz YPHGQYWVLDPRCK-UHFFFAOYSA-N 0 0 411.506 2.567 50 0 HFAARN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1F ZINC000036569559 569200793 /nfs/dbraw/zinc/20/07/93/569200793.db2.gz PXKGLXDDNDEGSI-WBVHZDCISA-N 0 0 424.473 2.640 50 0 HFAARN COc1ccc(C(=O)Nc2nccnc2C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000065228633 569200803 /nfs/dbraw/zinc/20/08/03/569200803.db2.gz XBPQSWAXLSHSAS-UHFFFAOYSA-N 0 0 417.469 2.700 50 0 HFAARN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1F ZINC000036569647 569200836 /nfs/dbraw/zinc/20/08/36/569200836.db2.gz PDDDBRXNJCXHCA-QAPCUYQASA-N 0 0 406.433 2.933 50 0 HFAARN CCOC(=O)C1CCN(C(=O)c2nc3nc(C)cc(C)c3c(N3CCCC3)n2)CC1 ZINC000065232006 569201270 /nfs/dbraw/zinc/20/12/70/569201270.db2.gz KXTRUDXSFAXWFP-UHFFFAOYSA-N 0 0 411.506 2.657 50 0 HFAARN COc1ccc(CC(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1F ZINC000007029561 569201679 /nfs/dbraw/zinc/20/16/79/569201679.db2.gz AKKDBAXFHIAZHQ-GFCCVEGCSA-N 0 0 409.435 2.563 50 0 HFAARN CCN1c2ccccc2C(=O)NC12CCN(C(=O)c1cc(OC)cc(OC)c1)CC2 ZINC000065235113 569202222 /nfs/dbraw/zinc/20/22/22/569202222.db2.gz JMLFQAWXGZRBLG-UHFFFAOYSA-N 0 0 409.486 2.906 50 0 biogenic HFAARN O=C(NCCc1ccccc1)C1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000065237195 569202690 /nfs/dbraw/zinc/20/26/90/569202690.db2.gz MIESJYVRMBUHMT-UHFFFAOYSA-N 0 0 411.575 2.605 50 0 HFAARN COc1cccc(CNC(=O)c2cn(-c3cc(N4CCC[C@@H](C)C4)ncn3)cn2)c1 ZINC000065239933 569203618 /nfs/dbraw/zinc/20/36/18/569203618.db2.gz NFKXVWLPAFGBNF-MRXNPFEDSA-N 0 0 406.490 2.837 50 0 HFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000036594033 569204395 /nfs/dbraw/zinc/20/43/95/569204395.db2.gz AHOUFDUEAAKGKP-GOSISDBHSA-N 0 0 412.877 2.779 50 0 HFAARN CCn1nc(C)c(S(=O)(=O)NCCCn2ccc(-c3ccc(F)cc3)n2)c1C ZINC000036614914 569206813 /nfs/dbraw/zinc/20/68/13/569206813.db2.gz SVQRNUGOBJUJPF-UHFFFAOYSA-N 0 0 405.499 2.891 50 0 HFAARN Cn1ncc2c1nc(C(=O)NCc1ccc(C(F)(F)F)cc1)nc2N1CCCC1 ZINC000065257120 569208662 /nfs/dbraw/zinc/20/86/62/569208662.db2.gz UEPKEDBZQOMFNE-UHFFFAOYSA-N 0 0 404.396 2.912 50 0 HFAARN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)c12 ZINC000036619188 569210476 /nfs/dbraw/zinc/21/04/76/569210476.db2.gz VNSMNDOCYUYDQW-UHFFFAOYSA-N 0 0 418.392 2.904 50 0 HFAARN O=C(NCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259824 569210775 /nfs/dbraw/zinc/21/07/75/569210775.db2.gz MSUGBFAUMHEWOY-FQEVSTJZSA-N 0 0 413.543 2.969 50 0 biogenic HFAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000007046184 569211059 /nfs/dbraw/zinc/21/10/59/569211059.db2.gz HAGQZPLXFQIGDV-RYUDHWBXSA-N 0 0 405.501 2.892 50 0 HFAARN COc1cc([C@@H](CC(=O)NCc2ccccn2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730395 569212005 /nfs/dbraw/zinc/21/20/05/569212005.db2.gz HXRHIGXHLPUTDC-MRXNPFEDSA-N 0 0 410.426 2.601 50 0 biogenic HFAARN COc1cc([C@@H](CC(=O)NCc2ccncc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730903 569212122 /nfs/dbraw/zinc/21/21/22/569212122.db2.gz BJWJHCSTKRWHBO-MRXNPFEDSA-N 0 0 410.426 2.601 50 0 biogenic HFAARN CCn1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC2CCCC2)n1 ZINC000065265923 569213091 /nfs/dbraw/zinc/21/30/91/569213091.db2.gz NIPJTXMFZRJPLC-HSZRJFAPSA-N 0 0 406.534 2.853 50 0 HFAARN Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000007051006 569213426 /nfs/dbraw/zinc/21/34/26/569213426.db2.gz JXDGQYTZQQASKD-UHFFFAOYSA-N 0 0 404.307 2.962 50 0 HFAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CCCC2)CC3)CC1 ZINC000065273788 569214775 /nfs/dbraw/zinc/21/47/75/569214775.db2.gz BZLZEFBISIKPLV-OAHLLOKOSA-N 0 0 404.580 2.611 50 0 HFAARN C=C1C(N2CCCN(C(=O)NC(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065271975 569215450 /nfs/dbraw/zinc/21/54/50/569215450.db2.gz WFXJJTIREYCIBO-UHFFFAOYSA-N 0 0 418.563 2.848 50 0 HFAARN C=C1C(N2CCCN(C(=O)N[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271969 569215473 /nfs/dbraw/zinc/21/54/73/569215473.db2.gz KKHCKRFVPYQBGJ-MRXNPFEDSA-N 0 0 418.563 2.984 50 0 HFAARN C=C1C(N2CCCN(C(=O)NCC(C)C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271987 569215531 /nfs/dbraw/zinc/21/55/31/569215531.db2.gz KQOQBGPIXWHPSK-UHFFFAOYSA-N 0 0 404.536 2.533 50 0 HFAARN C=C1C(N2CCCN(C(=O)N[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271985 569215575 /nfs/dbraw/zinc/21/55/75/569215575.db2.gz BXKCDJMECKFWGD-OAHLLOKOSA-N 0 0 404.536 2.675 50 0 HFAARN COc1ccc(CNC(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)cc1 ZINC000065272770 569215858 /nfs/dbraw/zinc/21/58/58/569215858.db2.gz ASXOEAYEVDCNDU-MRXNPFEDSA-N 0 0 414.527 2.650 50 0 HFAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272732 569215895 /nfs/dbraw/zinc/21/58/95/569215895.db2.gz YPUQFFMLXARPND-CYBMUJFWSA-N 0 0 414.483 2.693 50 0 HFAARN COc1ccc(CNC(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1OC ZINC000065273091 569215984 /nfs/dbraw/zinc/21/59/84/569215984.db2.gz OEZHKFMMBUYQGY-CQSZACIVSA-N 0 0 402.516 2.888 50 0 HFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)Nc2cc(F)ccc2F)CC3)CC1 ZINC000065273270 569216030 /nfs/dbraw/zinc/21/60/30/569216030.db2.gz QYUYMKLZFXVSNA-CYBMUJFWSA-N 0 0 420.485 2.833 50 0 HFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2cccs2)CC3)CC1 ZINC000065273560 569216179 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CC(C)c1nnc(NC(=O)CCC(=O)NCc2cccc(NC(=O)N(C)C)c2)s1 ZINC000089893811 569268084 /nfs/dbraw/zinc/26/80/84/569268084.db2.gz SVNWFSKFQIFHDL-UHFFFAOYSA-N 0 0 418.523 2.790 50 0 HFAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)cc1 ZINC000016981142 569270337 /nfs/dbraw/zinc/27/03/37/569270337.db2.gz MVTCATFEQZHXRZ-UHFFFAOYSA-N 0 0 407.474 2.963 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCCC3)c12 ZINC000016992978 569270722 /nfs/dbraw/zinc/27/07/22/569270722.db2.gz XFMMGMUQCIBPKA-CQSZACIVSA-N 0 0 414.487 2.595 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c(C)c1 ZINC000016994299 569270824 /nfs/dbraw/zinc/27/08/24/569270824.db2.gz NXDYIZMEEONGRW-UHFFFAOYSA-N 0 0 415.490 2.953 50 0 HFAARN Cc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000017042270 569272416 /nfs/dbraw/zinc/27/24/16/569272416.db2.gz BZLJYFHWBATOCG-UHFFFAOYSA-N 0 0 418.428 2.693 50 0 HFAARN Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NCc4ccc(Cl)cc4)cn(C)c3c2=O)cc1 ZINC000017052041 569272631 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O=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(N2CCCC2=O)cc1 ZINC000007641397 569298254 /nfs/dbraw/zinc/29/82/54/569298254.db2.gz JOXQSOVYSRVPLC-UHFFFAOYSA-N 0 0 403.385 2.783 50 0 HFAARN O=C(/N=c1\sccn1Cc1ccc(C(=O)N2CCOCC2)o1)c1ccc(F)cc1 ZINC000037437611 569299369 /nfs/dbraw/zinc/29/93/69/569299369.db2.gz ULPOSFIJEGANMO-XDOYNYLZSA-N 0 0 415.446 2.544 50 0 HFAARN COCCNC(=O)c1cccc(Cn2ccs/c2=N\C(=O)c2ccccc2F)c1 ZINC000037437530 569299416 /nfs/dbraw/zinc/29/94/16/569299416.db2.gz YMNSNSSTUSLXHJ-FLFQWRMESA-N 0 0 413.474 2.854 50 0 HFAARN COc1ccc(-c2cc(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)no2)cc1 ZINC000037455340 569299920 /nfs/dbraw/zinc/29/99/20/569299920.db2.gz POAZIOQWZFNNLQ-UHFFFAOYSA-N 0 0 421.453 2.753 50 0 HFAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2CCN(Cc3ccccc3C)CC2)cc1 ZINC000007676589 569300178 /nfs/dbraw/zinc/30/01/78/569300178.db2.gz PRJDMOMVOWMNCK-UHFFFAOYSA-N 0 0 408.546 2.518 50 0 HFAARN Cc1occc1-c1nnc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)n1C ZINC000007693259 569301023 /nfs/dbraw/zinc/30/10/23/569301023.db2.gz 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Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 ZINC000007737276 569304724 /nfs/dbraw/zinc/30/47/24/569304724.db2.gz GFZQAUPPCZRQCV-AWEZNQCLSA-N 0 0 412.467 2.852 50 0 HFAARN CC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000007735795 569304765 /nfs/dbraw/zinc/30/47/65/569304765.db2.gz OCPHJGONUKGEHU-UHFFFAOYSA-N 0 0 409.442 2.865 50 0 HFAARN CC1(C)Cc2cccc(OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)c2O1 ZINC000007748900 569306253 /nfs/dbraw/zinc/30/62/53/569306253.db2.gz WNSFQCFOEBUNHT-SFHVURJKSA-N 0 0 415.511 2.999 50 0 HFAARN COCCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000007758319 569307218 /nfs/dbraw/zinc/30/72/18/569307218.db2.gz DQPIZJHBAFTAAA-UHFFFAOYSA-N 0 0 401.463 2.770 50 0 HFAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)n1 ZINC000007814921 569312774 /nfs/dbraw/zinc/31/27/74/569312774.db2.gz YXBBEXJINBYJHQ-HNNXBMFYSA-N 0 0 406.442 2.772 50 0 HFAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1c(F)cccc1F ZINC000003009299 569322710 /nfs/dbraw/zinc/32/27/10/569322710.db2.gz IZQGDDYXDFEGRD-UHFFFAOYSA-N 0 0 407.373 2.970 50 0 HFAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002250083 569324510 /nfs/dbraw/zinc/32/45/10/569324510.db2.gz WOGUMTFKTTWWMP-DIFFPNOSSA-N 0 0 418.471 2.832 50 0 HFAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000026890006 569357805 /nfs/dbraw/zinc/35/78/05/569357805.db2.gz OOZDKRJIJFEWIQ-BDXSIMOUSA-N 0 0 416.591 2.999 50 0 HFAARN BrC1=C[C@@H]2[C@@H]([C@@H]3C=C[C@@]2(Br)[C@H]3C2OCCO2)C12OCCO2 ZINC000039580552 569358128 /nfs/dbraw/zinc/35/81/28/569358128.db2.gz UQAUDBBKHNHHEV-BVPDVSAISA-N 0 0 420.097 2.577 50 0 HFAARN COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3C)cc1OC ZINC000002281647 569364082 /nfs/dbraw/zinc/36/40/82/569364082.db2.gz NEUZVZZGGGAALF-NRFANRHFSA-N 0 0 407.470 2.739 50 0 HFAARN Cc1ccc(N2CCC[C@@H]2COC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)nn1 ZINC000253369393 569364728 /nfs/dbraw/zinc/36/47/28/569364728.db2.gz 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C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000040152328 571200089 /nfs/dbraw/zinc/20/00/89/571200089.db2.gz SXJHCTXLQSLKDR-CYBMUJFWSA-N 0 0 422.348 2.978 50 0 HFAARN Cc1ccc(C(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1C ZINC000009000917 571209121 /nfs/dbraw/zinc/20/91/21/571209121.db2.gz HIFZDUHWRVHNBA-UHFFFAOYSA-N 0 0 400.438 2.501 50 0 HFAARN Cc1ccc(C(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1C ZINC000009001484 571209613 /nfs/dbraw/zinc/20/96/13/571209613.db2.gz IQHVAUIFFPGTTC-UHFFFAOYSA-N 0 0 400.438 2.501 50 0 HFAARN Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc(F)cc3F)c2=O)c1 ZINC000009016219 571211757 /nfs/dbraw/zinc/21/17/57/571211757.db2.gz MLSQVSMVRBTUSN-UHFFFAOYSA-N 0 0 423.423 2.658 50 0 HFAARN CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(OC)c(C)c3)CC2=O)cc1 ZINC000009036089 571213527 /nfs/dbraw/zinc/21/35/27/571213527.db2.gz HCOFPPDFADFRPJ-MRXNPFEDSA-N 0 0 418.515 2.734 50 0 HFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC ZINC000009036723 571213584 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Brc1ccc(-n2nnnc2[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000020058072 518209909 /nfs/dbraw/zinc/20/99/09/518209909.db2.gz QYUJWYZUCQWAKO-QGZVFWFLSA-N 0 0 400.280 2.846 50 0 HFAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000042750170 518811422 /nfs/dbraw/zinc/81/14/22/518811422.db2.gz OCPBBZQADAOTDT-UHFFFAOYSA-N 0 0 405.314 2.691 50 0 HFAARN CC(C)(CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)N1CCOCC1 ZINC000032784243 519259442 /nfs/dbraw/zinc/25/94/42/519259442.db2.gz KYQAJXREOQPWFL-FQEVSTJZSA-N 0 0 423.557 2.919 50 0 HFAARN CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)N1CCOCC1 ZINC000044014236 519348513 /nfs/dbraw/zinc/34/85/13/519348513.db2.gz JLWGYFNSVCKFSG-HXUWFJFHSA-N 0 0 402.539 2.791 50 0 HFAARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1nnsc1Cl ZINC000032776286 519668220 /nfs/dbraw/zinc/66/82/20/519668220.db2.gz USVAPLNSIOTJCJ-GOSISDBHSA-N 0 0 420.878 2.622 50 0 HFAARN CC(=O)N[C@@H](CC(=O)N1CCN(Cc2c(C)nc3ccccn32)CC1)c1ccccc1 ZINC000032676100 519682866 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521451708 /nfs/dbraw/zinc/45/17/08/521451708.db2.gz HEQXZGLOKBQDNN-UHFFFAOYSA-N 0 0 404.469 2.978 50 0 HFAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000000863588 521517989 /nfs/dbraw/zinc/51/79/89/521517989.db2.gz ISBGZAKHDBAHOP-UHFFFAOYSA-N 0 0 406.504 2.613 50 0 HFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccn3)C3CC3)cc(C3CC3)nc21 ZINC000045204151 521613777 /nfs/dbraw/zinc/61/37/77/521613777.db2.gz VKGQCOGTHKFMLB-UHFFFAOYSA-N 0 0 419.485 2.572 50 0 HFAARN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000032293692 521693382 /nfs/dbraw/zinc/69/33/82/521693382.db2.gz KRDCHORMMYLBRB-UHFFFAOYSA-N 0 0 402.394 2.746 50 0 HFAARN CCN1CCc2c(sc(NC(=O)Nc3ccsc3C(=O)OC)c2C(N)=O)C1 ZINC000032579205 521724859 /nfs/dbraw/zinc/72/48/59/521724859.db2.gz KKVWGEZRFANZND-UHFFFAOYSA-N 0 0 408.505 2.717 50 0 HFAARN CCN1C[C@@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)Oc2ccccc21 ZINC000032780583 521727359 /nfs/dbraw/zinc/72/73/59/521727359.db2.gz CJYZMVQAGFJXEC-MRXNPFEDSA-N 0 0 418.515 2.756 50 0 HFAARN CCN1c2ccccc2[C@](NC(C)=O)([C@@H](O)c2ccc(Br)cc2)C1=O ZINC000032090795 521731171 /nfs/dbraw/zinc/73/11/71/521731171.db2.gz ILKJNTIHSPXBQW-HKUYNNGSSA-N 0 0 403.276 2.881 50 0 HFAARN COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2-c1ccccc1 ZINC000020418666 521828635 /nfs/dbraw/zinc/82/86/35/521828635.db2.gz DUYGGADAUUBIFR-UHFFFAOYSA-N 0 0 415.449 2.999 50 0 HFAARN CNC(=O)c1cccc(CNC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)c1 ZINC000032817028 521887216 /nfs/dbraw/zinc/88/72/16/521887216.db2.gz QDYYBGYEOTVIID-UHFFFAOYSA-N 0 0 403.364 2.576 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000032899710 521898897 /nfs/dbraw/zinc/89/88/97/521898897.db2.gz GPGFGWJKZOCZAI-UHFFFAOYSA-N 0 0 412.398 2.546 50 0 HFAARN COC(=O)c1ccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000032123949 522088908 /nfs/dbraw/zinc/08/89/08/522088908.db2.gz LHSZCIATGKUQFQ-UHFFFAOYSA-N 0 0 409.442 2.676 50 0 biogenic HFAARN CC[C@@H](C)NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1 ZINC000045925140 522172024 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COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(c3ccc(Cl)nn3)C1)CC2 ZINC000042228331 523029494 /nfs/dbraw/zinc/02/94/94/523029494.db2.gz ZOPDEWISKXITAZ-OAHLLOKOSA-N 0 0 416.909 2.949 50 0 HFAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)C(C)C)cnc21 ZINC000032908436 523089800 /nfs/dbraw/zinc/08/98/00/523089800.db2.gz HZUWEFVHWZLVML-MRXNPFEDSA-N 0 0 400.866 2.885 50 0 HFAARN COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC(F)(F)F ZINC000031811188 523096236 /nfs/dbraw/zinc/09/62/36/523096236.db2.gz FXGDHLZQDVSYEC-INIZCTEOSA-N 0 0 412.368 2.529 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc4C3)n2)cc1OC ZINC000044919586 523129559 /nfs/dbraw/zinc/12/95/59/523129559.db2.gz NYPSVCWABAHTCM-UHFFFAOYSA-N 0 0 405.454 2.512 50 0 HFAARN COC(=O)CNC(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000032933108 523205988 /nfs/dbraw/zinc/20/59/88/523205988.db2.gz PUIBKWUSCBSPTO-UHFFFAOYSA-N 0 0 418.833 2.656 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccs3)n2N)c(OC)c1 ZINC000032719441 523260643 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PQGMTMKHXCAFOZ-FXAWDEMLSA-N 0 0 424.457 2.542 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000012693241 558446999 /nfs/dbraw/zinc/44/69/99/558446999.db2.gz HBCGMQOBDLGQLK-UHFFFAOYSA-N 0 0 408.863 2.804 50 0 HFAARN CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCCc2ccccc2)CC1 ZINC000012702917 558448419 /nfs/dbraw/zinc/44/84/19/558448419.db2.gz SHYYFRYVYATJHI-UHFFFAOYSA-N 0 0 416.543 2.852 50 0 HFAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3csnn3)C2)c(OC)c1 ZINC000012708136 558450843 /nfs/dbraw/zinc/45/08/43/558450843.db2.gz BPGWBUDFHKUWCJ-AWEZNQCLSA-N 0 0 418.519 2.504 50 0 HFAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000021837103 558451605 /nfs/dbraw/zinc/45/16/05/558451605.db2.gz QTNQIUYHMFXSIP-AWEZNQCLSA-N 0 0 407.463 2.980 50 0 HFAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000021837100 558451788 /nfs/dbraw/zinc/45/17/88/558451788.db2.gz QTNQIUYHMFXSIP-CQSZACIVSA-N 0 0 407.463 2.980 50 0 HFAARN Cc1cc(C(=O)NC[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)no1 ZINC000012710398 558451907 /nfs/dbraw/zinc/45/19/07/558451907.db2.gz KXWDQZVZAUZFIR-CQSZACIVSA-N 0 0 411.911 2.776 50 0 HFAARN CCN(CC)C(=O)Cn1cc(C(=O)NCC[C@H](c2ccco2)c2ccccc2)nn1 ZINC000012710996 558452385 /nfs/dbraw/zinc/45/23/85/558452385.db2.gz MNIJYPRCYBSTNC-SFHVURJKSA-N 0 0 409.490 2.692 50 0 HFAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000021865794 558452717 /nfs/dbraw/zinc/45/27/17/558452717.db2.gz FGUNKJUAZQONOS-CQSZACIVSA-N 0 0 413.349 2.560 50 0 HFAARN Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)C2CC2)cc1 ZINC000021878083 558453328 /nfs/dbraw/zinc/45/33/28/558453328.db2.gz ZYUZXLFVXMMIND-URXFXBBRSA-N 0 0 419.481 2.792 50 0 HFAARN Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C2CC2)cc1 ZINC000021878077 558453362 /nfs/dbraw/zinc/45/33/62/558453362.db2.gz ZYUZXLFVXMMIND-ZJSXRUAMSA-N 0 0 419.481 2.792 50 0 HFAARN O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000021899970 558454799 /nfs/dbraw/zinc/45/47/99/558454799.db2.gz WMLTYDLSSVVPHS-UHFFFAOYSA-N 0 0 401.513 2.594 50 0 HFAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000004362711 558460702 /nfs/dbraw/zinc/46/07/02/558460702.db2.gz UQTCJPBWPLNTIY-CABCVRRESA-N 0 0 404.454 2.888 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n1-c1cccc(C)c1C ZINC000004370354 558462451 /nfs/dbraw/zinc/46/24/51/558462451.db2.gz DGGLMSXSRRNGBM-UHFFFAOYSA-N 0 0 421.501 2.679 50 0 HFAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1)N1CCCC1 ZINC000012789718 558464764 /nfs/dbraw/zinc/46/47/64/558464764.db2.gz BCGXHQUCDIMLJQ-UHFFFAOYSA-N 0 0 424.519 2.752 50 0 HFAARN Cc1nc2ccccc2nc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C ZINC000012791519 558465736 /nfs/dbraw/zinc/46/57/36/558465736.db2.gz PSBBQTPEFFONQJ-HSZRJFAPSA-N 0 0 416.437 2.590 50 0 HFAARN O=C(CCNC(=O)c1ccccc1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000012798274 558470523 /nfs/dbraw/zinc/47/05/23/558470523.db2.gz XRYGARJEINVPGB-UHFFFAOYSA-N 0 0 410.499 2.892 50 0 HFAARN O=C(Nc1ncccc1O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000022263832 558474875 /nfs/dbraw/zinc/47/48/75/558474875.db2.gz NSCKBNZRTNRMNS-UHFFFAOYSA-N 0 0 415.515 2.705 50 0 HFAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCc1csc(-c2cccc(F)c2)n1 ZINC000004375433 558476070 /nfs/dbraw/zinc/47/60/70/558476070.db2.gz LBZATAUMMFHESG-UHFFFAOYSA-N 0 0 409.442 2.904 50 0 HFAARN O=C(Cc1c[nH]c2ccccc12)N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012054413 558476197 /nfs/dbraw/zinc/47/61/97/558476197.db2.gz KLQRJDYMXKFKHJ-MRXNPFEDSA-N 0 0 421.501 2.746 50 0 HFAARN O=C(CSc1nnc2ccc(-c3cccnc3)nn21)Nc1ccc2c(c1)OCO2 ZINC000004376972 558476943 /nfs/dbraw/zinc/47/69/43/558476943.db2.gz DBDOEIGABJXKJX-UHFFFAOYSA-N 0 0 406.427 2.646 50 0 HFAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)COc3ccccc3)n2)C1 ZINC000022296239 558477005 /nfs/dbraw/zinc/47/70/05/558477005.db2.gz XQECNDRSNLACAU-HOTGVXAUSA-N 0 0 416.547 2.755 50 0 HFAARN Cc1ccc(C)c(-n2ccnc2SCc2nc3ccccc3c(=O)n2CC(N)=O)c1 ZINC000012824765 558477837 /nfs/dbraw/zinc/47/78/37/558477837.db2.gz AJUBKRRVUFCMLK-UHFFFAOYSA-N 0 0 419.510 2.977 50 0 HFAARN Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000004370665 558479644 /nfs/dbraw/zinc/47/96/44/558479644.db2.gz VXTOFTMTFXORMB-UHFFFAOYSA-N 0 0 406.273 2.658 50 0 HFAARN CCOc1ccccc1OCc1nn2c(Cn3nnc4ccccc43)nnc2s1 ZINC000004384040 558481768 /nfs/dbraw/zinc/48/17/68/558481768.db2.gz IYJYTPSXPNRVCB-UHFFFAOYSA-N 0 0 407.459 2.957 50 0 HFAARN COc1ccc(NC(=O)CSCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022356868 558482754 /nfs/dbraw/zinc/48/27/54/558482754.db2.gz NZOPRZGWRWDXEN-UHFFFAOYSA-N 0 0 413.543 2.711 50 0 HFAARN O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(Cl)c1 ZINC000010833671 558483886 /nfs/dbraw/zinc/48/38/86/558483886.db2.gz UOUCKOYCMKHBEG-CYBMUJFWSA-N 0 0 400.859 2.700 50 0 HFAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1F ZINC000012946703 558487871 /nfs/dbraw/zinc/48/78/71/558487871.db2.gz XOISWLLIPRDLDP-MFOYZWKCSA-N 0 0 415.812 2.954 50 0 HFAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000012975009 558490883 /nfs/dbraw/zinc/49/08/83/558490883.db2.gz WEORAWXTRLPHRL-IBGZPJMESA-N 0 0 405.454 2.834 50 0 HFAARN C[C@H](NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(-n2cncn2)cc1 ZINC000012976344 558491503 /nfs/dbraw/zinc/49/15/03/558491503.db2.gz BXPHIIQKRRHPTM-KRWDZBQOSA-N 0 0 416.485 2.861 50 0 HFAARN CC(C)C(=O)N(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000022471942 558491538 /nfs/dbraw/zinc/49/15/38/558491538.db2.gz GVSWBHUPVQUSRE-UHFFFAOYSA-N 0 0 406.486 2.728 50 0 HFAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012977554 558492236 /nfs/dbraw/zinc/49/22/36/558492236.db2.gz CQZVIZIZCIUFTC-UHFFFAOYSA-N 0 0 410.478 2.789 50 0 HFAARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O ZINC000012982651 558493965 /nfs/dbraw/zinc/49/39/65/558493965.db2.gz MAOBXYRMTOHKHC-QVKFZJNVSA-N 0 0 404.413 2.789 50 0 HFAARN COc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1S(=O)(=O)NC1CC1 ZINC000012986416 558495436 /nfs/dbraw/zinc/49/54/36/558495436.db2.gz UKVCOKGQKLKCRG-LLVKDONJSA-N 0 0 410.442 2.905 50 0 HFAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)COc2ccccc21 ZINC000012988495 558496036 /nfs/dbraw/zinc/49/60/36/558496036.db2.gz JINNRWQQFPINOF-UHFFFAOYSA-N 0 0 422.268 2.816 50 0 HFAARN O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012996505 558498853 /nfs/dbraw/zinc/49/88/53/558498853.db2.gz WDBOZIYVSLNSCC-UHFFFAOYSA-N 0 0 408.520 2.913 50 0 HFAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000012999246 558499624 /nfs/dbraw/zinc/49/96/24/558499624.db2.gz HZVMXZNAHGFFTK-UHFFFAOYSA-N 0 0 405.376 2.757 50 0 HFAARN O=C(NCCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012999124 558499643 /nfs/dbraw/zinc/49/96/43/558499643.db2.gz XCGUSWHNHXMIDM-UHFFFAOYSA-N 0 0 407.923 2.599 50 0 HFAARN O=C(N[C@H]1CCc2ccccc21)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000022700187 558505518 /nfs/dbraw/zinc/50/55/18/558505518.db2.gz WYKVIMYZYCWCLV-PXNSSMCTSA-N 0 0 400.500 2.561 50 0 HFAARN CCCCn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CCC ZINC000013038700 558505735 /nfs/dbraw/zinc/50/57/35/558505735.db2.gz PMCCRFPCCVSTAU-UHFFFAOYSA-N 0 0 417.897 2.862 50 0 HFAARN Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000013057035 558508870 /nfs/dbraw/zinc/50/88/70/558508870.db2.gz FZNDSQPDWPIAPR-UHFFFAOYSA-N 0 0 413.543 2.742 50 0 HFAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O ZINC000022786789 558511119 /nfs/dbraw/zinc/51/11/19/558511119.db2.gz DUMZVDARDGFTHF-IFXJQAMLSA-N 0 0 410.971 2.977 50 0 HFAARN COc1ccccc1N1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013072218 558511708 /nfs/dbraw/zinc/51/17/08/558511708.db2.gz YSTANWHBIFWTFT-UHFFFAOYSA-N 0 0 422.934 2.861 50 0 HFAARN COc1ccc(CN2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)cc1 ZINC000022796999 558512450 /nfs/dbraw/zinc/51/24/50/558512450.db2.gz AIOKRCGNDWHDBO-SFHVURJKSA-N 0 0 422.529 2.577 50 0 HFAARN Nc1c(N(C(=O)c2ccccc2)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000013098937 558514091 /nfs/dbraw/zinc/51/40/91/558514091.db2.gz VPQDRWGSPUOFBA-UHFFFAOYSA-N 0 0 404.470 2.757 50 0 HFAARN COc1ccc(C(C)=O)cc1CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000022814508 558514341 /nfs/dbraw/zinc/51/43/41/558514341.db2.gz FBMUWYMBQBOQHS-UHFFFAOYSA-N 0 0 405.502 2.741 50 0 HFAARN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000013117559 558516551 /nfs/dbraw/zinc/51/65/51/558516551.db2.gz XCDSDXOXTOZCGQ-OAHLLOKOSA-N 0 0 422.528 2.536 50 0 HFAARN CC[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000022848398 558516617 /nfs/dbraw/zinc/51/66/17/558516617.db2.gz QMTWRXHNXDPBFQ-ZVDOUQERSA-N 0 0 400.567 2.526 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000013120111 558517058 /nfs/dbraw/zinc/51/70/58/558517058.db2.gz BXTHVEUVNFCOIN-NSHDSACASA-N 0 0 418.500 2.560 50 0 HFAARN Cc1cccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3ccccn32)CC1 ZINC000022890934 558518872 /nfs/dbraw/zinc/51/88/72/558518872.db2.gz HUEOYRDLEITUPX-UHFFFAOYSA-N 0 0 418.545 2.592 50 0 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/nfs/dbraw/zinc/89/04/50/558890450.db2.gz IRYFNLVKNKHTGM-UHFFFAOYSA-N 0 0 403.442 2.612 50 0 HFAARN CCOC(=O)c1ccc(N2CCCN(C(=O)COc3ccc(F)cc3F)CC2)nc1 ZINC000057993023 558893254 /nfs/dbraw/zinc/89/32/54/558893254.db2.gz JGHOGXVHJFRZDV-UHFFFAOYSA-N 0 0 419.428 2.654 50 0 HFAARN Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000010656589 558894583 /nfs/dbraw/zinc/89/45/83/558894583.db2.gz ASMBMVWTPHROFZ-GOSISDBHSA-N 0 0 400.841 2.848 50 0 HFAARN O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCc1ccccn1 ZINC000004682638 558894675 /nfs/dbraw/zinc/89/46/75/558894675.db2.gz WQOFRZIUYSZVNM-UHFFFAOYSA-N 0 0 419.481 2.975 50 0 HFAARN Cc1cc(=O)oc2cc(NC(=O)N3CCC(NC(=O)c4cccnc4)CC3)ccc12 ZINC000058008791 558894915 /nfs/dbraw/zinc/89/49/15/558894915.db2.gz JFKOQDMTIBLVNU-UHFFFAOYSA-N 0 0 406.442 2.923 50 0 HFAARN Cc1ccc(C(=O)CCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)s1 ZINC000011160013 558895008 /nfs/dbraw/zinc/89/50/08/558895008.db2.gz RFNSJIUBKOKUTE-UHFFFAOYSA-N 0 0 420.556 2.989 50 0 HFAARN 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Cc1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1NC(=O)c1ccccc1F ZINC000033245508 558916520 /nfs/dbraw/zinc/91/65/20/558916520.db2.gz JWCOUTGDERNORV-HXUWFJFHSA-N 0 0 404.463 2.693 50 0 HFAARN COc1ccc(OC)c(NC(=O)CN[C@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000058300348 558917589 /nfs/dbraw/zinc/91/75/89/558917589.db2.gz WIBWSQKODSOBKL-QFIPXVFZSA-N 0 0 411.502 2.986 50 0 HFAARN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCC(=O)c2cc(C)ccc2C)CC1 ZINC000058342361 558920562 /nfs/dbraw/zinc/92/05/62/558920562.db2.gz KCSFMCIXHBBGQS-UHFFFAOYSA-N 0 0 416.518 2.526 50 0 HFAARN COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000058343154 558920771 /nfs/dbraw/zinc/92/07/71/558920771.db2.gz PEMARZBCVVWEPF-OAHLLOKOSA-N 0 0 418.318 2.518 50 0 HFAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1Cl ZINC000058365311 558922286 /nfs/dbraw/zinc/92/22/86/558922286.db2.gz ODTDVESPXBFKQS-AWEZNQCLSA-N 0 0 401.315 2.985 50 0 HFAARN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccnc1-n1cccn1 ZINC000058369300 558922680 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CC[C@@]1(C)NC(=O)N(CC(=O)NC2(c3cccc(Br)c3)CCC2)C1=O ZINC000059919786 558939846 /nfs/dbraw/zinc/93/98/46/558939846.db2.gz ICNKAJHMOBGCIW-QGZVFWFLSA-N 0 0 408.296 2.665 50 0 HFAARN COc1ccc(C(=O)NC2(c3ccc(F)cc3)CCC2)cc1S(=O)(=O)N(C)C ZINC000060084762 558940734 /nfs/dbraw/zinc/94/07/34/558940734.db2.gz INDDKPOAQMJRDX-UHFFFAOYSA-N 0 0 406.479 2.894 50 0 HFAARN COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)c(OC)c1 ZINC000061719286 558946255 /nfs/dbraw/zinc/94/62/55/558946255.db2.gz CHRVAHIQUFSQNU-UHFFFAOYSA-N 0 0 413.405 2.714 50 0 HFAARN O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000061719571 558946479 /nfs/dbraw/zinc/94/64/79/558946479.db2.gz GMNJZYSBMVOLLR-UHFFFAOYSA-N 0 0 413.861 2.667 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000019645709 558947737 /nfs/dbraw/zinc/94/77/37/558947737.db2.gz HGCVLPNAUVSGQD-UHFFFAOYSA-N 0 0 410.923 2.864 50 0 HFAARN COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1 ZINC000097943870 558950831 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CCOc1ccccc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005251828 560551590 /nfs/dbraw/zinc/55/15/90/560551590.db2.gz GQALMXVDGYBISN-UHFFFAOYSA-N 0 0 415.453 2.741 50 0 HFAARN CCCCCOc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005252162 560551639 /nfs/dbraw/zinc/55/16/39/560551639.db2.gz CBTINQFSLDMRFH-UHFFFAOYSA-N 0 0 409.490 2.861 50 0 HFAARN O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)N1CCc2ccccc21 ZINC000005263990 560553237 /nfs/dbraw/zinc/55/32/37/560553237.db2.gz AJVCIBMJKXPOCI-UHFFFAOYSA-N 0 0 418.522 2.857 50 0 HFAARN COc1cccc2c1ccn2CC(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000206235932 560554743 /nfs/dbraw/zinc/55/47/43/560554743.db2.gz IOLNAICRRGVINR-LJQANCHMSA-N 0 0 418.453 2.845 50 0 HFAARN O=C(CCc1ccc2c(c1)CCO2)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000206248007 560555155 /nfs/dbraw/zinc/55/51/55/560555155.db2.gz CNEQYWHATCPCMP-LJQANCHMSA-N 0 0 405.454 2.750 50 0 HFAARN CC(C)NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000005294133 560562200 /nfs/dbraw/zinc/56/22/00/560562200.db2.gz AULVQHMHUZPUCZ-MRXNPFEDSA-N 0 0 402.520 2.637 50 0 HFAARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000005288329 560562640 /nfs/dbraw/zinc/56/26/40/560562640.db2.gz NFUASXCMJOBDAY-IUODEOHRSA-N 0 0 402.476 2.837 50 0 HFAARN COc1ccc(C(=O)NCCS(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000005302049 560562737 /nfs/dbraw/zinc/56/27/37/560562737.db2.gz BNCBFKXABAMJFS-UHFFFAOYSA-N 0 0 416.543 2.710 50 0 HFAARN CCCCn1c2ccccc2nc(CCC(=O)OCC(=O)Nc2cc(C)on2)c1=O ZINC000005334980 560566895 /nfs/dbraw/zinc/56/68/95/560566895.db2.gz DWALPKINTKANHV-UHFFFAOYSA-N 0 0 412.446 2.608 50 0 HFAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)NC2CC2)c1 ZINC000005336449 560567009 /nfs/dbraw/zinc/56/70/09/560567009.db2.gz PYSDFXYHTLLJLN-UHFFFAOYSA-N 0 0 414.483 2.861 50 0 HFAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NCc1ccccc1Cl ZINC000005342589 560567950 /nfs/dbraw/zinc/56/79/50/560567950.db2.gz UIJFVUKFLGJEDJ-GOSISDBHSA-N 0 0 410.861 2.601 50 0 HFAARN COc1cccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000005351557 560569083 /nfs/dbraw/zinc/56/90/83/560569083.db2.gz LNJCOCWATALAEK-JOCHJYFZSA-N 0 0 417.465 2.834 50 0 HFAARN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000005346253 560570329 /nfs/dbraw/zinc/57/03/29/560570329.db2.gz HMJVHGQCFVLTQP-LVSMMTLPSA-N 0 0 412.467 2.621 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(C)=O)c3)n2)cc1OC ZINC000005388717 560580229 /nfs/dbraw/zinc/58/02/29/560580229.db2.gz JEXHTGIBYVNKBW-UHFFFAOYSA-N 0 0 407.426 2.769 50 0 HFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000005392593 560582930 /nfs/dbraw/zinc/58/29/30/560582930.db2.gz UYKAZYMHJVGEJS-UHFFFAOYSA-N 0 0 414.405 2.732 50 0 HFAARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000005422934 560585352 /nfs/dbraw/zinc/58/53/52/560585352.db2.gz NGALVTKXVRPHRC-ZDUSSCGKSA-N 0 0 405.472 2.783 50 0 HFAARN O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000002498811 560585507 /nfs/dbraw/zinc/58/55/07/560585507.db2.gz JGXSWTMQJOREBR-LLVKDONJSA-N 0 0 421.382 2.970 50 0 HFAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3c(F)cccc3F)ccc21 ZINC000005427196 560585726 /nfs/dbraw/zinc/58/57/26/560585726.db2.gz BSIIOCIKLLYEFE-UHFFFAOYSA-N 0 0 409.410 2.717 50 0 HFAARN COc1ccc(/C=C/C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000002618958 560585900 /nfs/dbraw/zinc/58/59/00/560585900.db2.gz IACJFWSTEUCHQR-PKNBQFBNSA-N 0 0 405.472 2.711 50 0 HFAARN C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc2ccccc2c(=O)[nH]1 ZINC000005435307 560587536 /nfs/dbraw/zinc/58/75/36/560587536.db2.gz UFNDXNFYFOVLHA-OAHLLOKOSA-N 0 0 418.453 2.944 50 0 HFAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1C1CC1 ZINC000005450208 560588673 /nfs/dbraw/zinc/58/86/73/560588673.db2.gz WNYAWQFLRZEQRM-JOCHJYFZSA-N 0 0 409.442 2.818 50 0 HFAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)Nc1ccc(F)cc1 ZINC000005465183 560592008 /nfs/dbraw/zinc/59/20/08/560592008.db2.gz HVEPWVKONHNTNB-AWEZNQCLSA-N 0 0 420.462 2.794 50 0 HFAARN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1 ZINC000003423109 560594499 /nfs/dbraw/zinc/59/44/99/560594499.db2.gz BIPBGCVRYVWKHT-QGOAFFKASA-N 0 0 408.454 2.816 50 0 HFAARN CCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000003429929 560594594 /nfs/dbraw/zinc/59/45/94/560594594.db2.gz NRMYZFUTXGNWLH-UHFFFAOYSA-N 0 0 422.407 2.703 50 0 HFAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NC1CCCC1)CCCS3 ZINC000005484030 560596773 /nfs/dbraw/zinc/59/67/73/560596773.db2.gz UFEBEBWSPKXNJI-UHFFFAOYSA-N 0 0 412.515 2.914 50 0 HFAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000005512051 560601280 /nfs/dbraw/zinc/60/12/80/560601280.db2.gz IAQXFIOTLSYXQG-XJKSGUPXSA-N 0 0 400.928 2.669 50 0 HFAARN COc1ccc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000004285466 560604704 /nfs/dbraw/zinc/60/47/04/560604704.db2.gz IZSBQFRHZADNGX-UHFFFAOYSA-N 0 0 406.456 2.602 50 0 HFAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000005536572 560606341 /nfs/dbraw/zinc/60/63/41/560606341.db2.gz IDHPQWVAYCGQIS-LBPRGKRZSA-N 0 0 407.875 2.878 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000005556599 560612931 /nfs/dbraw/zinc/61/29/31/560612931.db2.gz YBXGWERPPPEFCK-UHFFFAOYSA-N 0 0 407.517 2.746 50 0 HFAARN Cc1cccc(C)c1-n1nnnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000005564915 560615893 /nfs/dbraw/zinc/61/58/93/560615893.db2.gz HFZZLTUECDXEOY-LJQANCHMSA-N 0 0 409.515 2.971 50 0 HFAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCCN1CCCC1=O ZINC000005147374 560624366 /nfs/dbraw/zinc/62/43/66/560624366.db2.gz LFFIPBAXDJZRLT-UHFFFAOYSA-N 0 0 400.479 2.873 50 0 HFAARN Cc1cc(C)n(-c2nc3sc4c(c3c(SCC(N)=O)n2)CC(C)(C)OC4)n1 ZINC000005576224 560624523 /nfs/dbraw/zinc/62/45/23/560624523.db2.gz LXULHGVDBYZOLE-UHFFFAOYSA-N 0 0 403.533 2.923 50 0 HFAARN COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000005609202 560630065 /nfs/dbraw/zinc/63/00/65/560630065.db2.gz NEVPYMKMXQHKKV-HNNXBMFYSA-N 0 0 410.426 2.544 50 0 HFAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000005614724 560631005 /nfs/dbraw/zinc/63/10/05/560631005.db2.gz NCTUZARROZOJEB-UHFFFAOYSA-N 0 0 416.543 2.778 50 0 HFAARN CCCCN(C(=O)Cc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008472337 560637249 /nfs/dbraw/zinc/63/72/49/560637249.db2.gz XLJGQLBEQHZUJU-UHFFFAOYSA-N 0 0 424.476 2.682 50 0 HFAARN CCc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000008705346 560637702 /nfs/dbraw/zinc/63/77/02/560637702.db2.gz OBYMEBHZJUIBNQ-UHFFFAOYSA-N 0 0 422.573 2.772 50 0 HFAARN COc1ccc(-n2cnnc2SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 ZINC000008728107 560637976 /nfs/dbraw/zinc/63/79/76/560637976.db2.gz XSUGTSDGPSUSAV-LJQANCHMSA-N 0 0 410.499 2.685 50 0 HFAARN COc1ccc(CCNC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000017208348 560704021 /nfs/dbraw/zinc/70/40/21/560704021.db2.gz UMFSQSHBKXSOAS-UHFFFAOYSA-N 0 0 420.535 2.831 50 0 HFAARN CCOc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000017307503 560707657 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/nfs/dbraw/zinc/67/37/86/568673786.db2.gz OLOYIQKRGDLKNM-UHFFFAOYSA-N 0 0 405.199 2.828 50 0 HFAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1 ZINC000021171566 568676559 /nfs/dbraw/zinc/67/65/59/568676559.db2.gz UMWHCTQRVSAQPH-GOSISDBHSA-N 0 0 420.513 2.898 50 0 HFAARN CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000095998647 568679927 /nfs/dbraw/zinc/67/99/27/568679927.db2.gz QUCDZEZBWBCTCY-QGZVFWFLSA-N 0 0 402.520 2.680 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1c1cc(C)nc2ncnn21 ZINC000095999478 568680643 /nfs/dbraw/zinc/68/06/43/568680643.db2.gz DZXWSXQBBJKEJV-IBGZPJMESA-N 0 0 403.490 2.872 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000096000419 568681147 /nfs/dbraw/zinc/68/11/47/568681147.db2.gz WVLROPDPBPNSNZ-HNNXBMFYSA-N 0 0 406.508 2.590 50 0 HFAARN O=C(Nc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1)c1ccccc1 ZINC000096000393 568681180 /nfs/dbraw/zinc/68/11/80/568681180.db2.gz OEUGPDZPEGZWFU-QGZVFWFLSA-N 0 0 402.520 2.971 50 0 HFAARN Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccc(C(F)(F)F)cc3)no2)cn1 ZINC000096001760 568681373 /nfs/dbraw/zinc/68/13/73/568681373.db2.gz OFJBXIOYAASMJB-CQSZACIVSA-N 0 0 407.352 2.703 50 0 HFAARN Cn1nnc2cc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)cnc21 ZINC000096003967 568682154 /nfs/dbraw/zinc/68/21/54/568682154.db2.gz JIKLKRSDWUKLPS-UHFFFAOYSA-N 0 0 410.441 2.541 50 0 HFAARN CN(Cc1ccccn1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000096005303 568682355 /nfs/dbraw/zinc/68/23/55/568682355.db2.gz TWDZJYWLKNFSEA-GOSISDBHSA-N 0 0 407.923 2.801 50 0 HFAARN COc1cc(NC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc(OC)c1 ZINC000096006806 568683135 /nfs/dbraw/zinc/68/31/35/568683135.db2.gz AREXFJOYIIWHKQ-CQSZACIVSA-N 0 0 401.427 2.781 50 0 HFAARN O=C(NCCNS(=O)(=O)c1cccc2nonc21)c1ccc(-c2ccccc2)cc1 ZINC000012388883 568683434 /nfs/dbraw/zinc/68/34/34/568683434.db2.gz MZBAWJXFJPRPIA-UHFFFAOYSA-N 0 0 422.466 2.598 50 0 HFAARN Cc1cc(NC(=O)CCc2nc(CSc3nnc(-c4ccco4)o3)no2)no1 ZINC000021355625 568688324 /nfs/dbraw/zinc/68/83/24/568688324.db2.gz BHAXDKQNIHUSOK-UHFFFAOYSA-N 0 0 402.392 2.873 50 0 HFAARN CC[C@@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1cccs1 ZINC000096101892 568691355 /nfs/dbraw/zinc/69/13/55/568691355.db2.gz OIUFRXNGWWTDGE-QGZVFWFLSA-N 0 0 415.563 2.859 50 0 HFAARN O=C(CNC(=O)c1ccccc1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096102938 568691486 /nfs/dbraw/zinc/69/14/86/568691486.db2.gz NDXVPBUOYKWFSK-UHFFFAOYSA-N 0 0 418.291 2.644 50 0 HFAARN COC(=O)N1CCc2ccc(NS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc2C1 ZINC000096103697 568692012 /nfs/dbraw/zinc/69/20/12/568692012.db2.gz IVZWZHYJBZMHNX-KKSFZXQISA-N 0 0 420.531 2.948 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1 ZINC000096114665 568694274 /nfs/dbraw/zinc/69/42/74/568694274.db2.gz MCWOCPXQUCPDKL-SFHVURJKSA-N 0 0 406.442 2.636 50 0 biogenic HFAARN COc1cccc2cc(-c3ccc(OCC(=O)N4CCC(O)CC4)cc3)c(=O)oc21 ZINC000012390354 568694704 /nfs/dbraw/zinc/69/47/04/568694704.db2.gz AZNFHLBBEOWXOH-UHFFFAOYSA-N 0 0 409.438 2.831 50 0 HFAARN COc1cccc2c1ccn2CC(=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096115526 568695264 /nfs/dbraw/zinc/69/52/64/568695264.db2.gz IOLNAICRRGVINR-IBGZPJMESA-N 0 0 418.453 2.845 50 0 biogenic HFAARN O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1cc3ccccc3[nH]c1=O)SCC(=O)N2 ZINC000096116749 568696045 /nfs/dbraw/zinc/69/60/45/568696045.db2.gz FMMSJQISCWRHNH-KRWDZBQOSA-N 0 0 412.471 2.556 50 0 HFAARN CNS(=O)(=O)c1cc(C(=O)NCCCCOc2ccc(F)cc2)cc(C)c1C ZINC000012392761 568696429 /nfs/dbraw/zinc/69/64/29/568696429.db2.gz ZJHBMQHQUHOUDZ-UHFFFAOYSA-N 0 0 408.495 2.940 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc(SC)c3)C2=O)cc1 ZINC000096118237 568697730 /nfs/dbraw/zinc/69/77/30/568697730.db2.gz ODERJGYLSUDBTR-SFHVURJKSA-N 0 0 413.499 2.909 50 0 HFAARN Cc1cc(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)cc(S(N)(=O)=O)c1C ZINC000021485318 568704196 /nfs/dbraw/zinc/70/41/96/568704196.db2.gz IRSMCYPDWXZAGI-OAHLLOKOSA-N 0 0 408.520 2.503 50 0 HFAARN COCC(=O)N1C[C@@H](C(=O)NCc2cccnc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211289 568704609 /nfs/dbraw/zinc/70/46/09/568704609.db2.gz ZZGLTMSTPHVTIW-QZTJIDSGSA-N 0 0 421.419 2.605 50 0 HFAARN COc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4n3C)c(=O)oc2c1OC ZINC000096222213 568705411 /nfs/dbraw/zinc/70/54/11/568705411.db2.gz LGDFCGIHJZYSMW-UHFFFAOYSA-N 0 0 421.453 2.864 50 0 biogenic HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](C)CCc3ccccc3)C2=O)cc1 ZINC000096222853 568705833 /nfs/dbraw/zinc/70/58/33/568705833.db2.gz DBQVUGAGFDRQSL-UZLBHIALSA-N 0 0 409.486 2.643 50 0 biogenic HFAARN C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NCCCc2nc3ccccc3[nH]2)C1=O ZINC000096224116 568706466 /nfs/dbraw/zinc/70/64/66/568706466.db2.gz UQWFGDRFVZJABY-XMMPIXPASA-N 0 0 418.497 2.719 50 0 HFAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCn1ccc2ccccc21 ZINC000096224318 568706582 /nfs/dbraw/zinc/70/65/82/568706582.db2.gz JKXDNUQZNTWFPZ-IBGZPJMESA-N 0 0 404.470 2.658 50 0 HFAARN CSCC[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000096230850 568706780 /nfs/dbraw/zinc/70/67/80/568706780.db2.gz KNLDJIPSNLQCFP-INIZCTEOSA-N 0 0 411.466 2.902 50 0 HFAARN Cc1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000096231014 568707059 /nfs/dbraw/zinc/70/70/59/568707059.db2.gz TXGIYKMWESZKHV-UHFFFAOYSA-N 0 0 420.343 2.905 50 0 HFAARN COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)Nc2cccc3[nH]ccc32)C1=O ZINC000096231731 568707646 /nfs/dbraw/zinc/70/76/46/568707646.db2.gz AUPVJANBLDYTJZ-SFHVURJKSA-N 0 0 406.442 2.668 50 0 HFAARN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)N2CCOCC2)o1 ZINC000041197978 568711304 /nfs/dbraw/zinc/71/13/04/568711304.db2.gz VNEVPKAJIVDNFB-INIZCTEOSA-N 0 0 409.845 2.509 50 0 HFAARN Nc1nc(CN2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)nc2ccccc12 ZINC000024992884 568711693 /nfs/dbraw/zinc/71/16/93/568711693.db2.gz DOBYTVNBZNKSDP-UHFFFAOYSA-N 0 0 413.428 2.771 50 0 HFAARN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000024996450 568711849 /nfs/dbraw/zinc/71/18/49/568711849.db2.gz YEFPWORNVJRQCY-WFASDCNBSA-N 0 0 417.307 2.729 50 0 HFAARN COc1cccc(CNC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)c1 ZINC000021537396 568712466 /nfs/dbraw/zinc/71/24/66/568712466.db2.gz CGYGPCVKRWPUAR-UHFFFAOYSA-N 0 0 421.482 2.502 50 0 HFAARN O=C(CCNC(=O)c1ccoc1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000025008617 568713469 /nfs/dbraw/zinc/71/34/69/568713469.db2.gz FLJSGHKPIUTLHH-UHFFFAOYSA-N 0 0 424.284 2.691 50 0 HFAARN Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000021540744 568713779 /nfs/dbraw/zinc/71/37/79/568713779.db2.gz MCPZWCNFVLZICO-XLNAKTSKSA-N 0 0 415.515 2.833 50 0 HFAARN CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)cc1 ZINC000097161509 568714360 /nfs/dbraw/zinc/71/43/60/568714360.db2.gz IGHGRCXMODWTEM-ZWOKBUDYSA-N 0 0 400.500 2.667 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000229632504 568714604 /nfs/dbraw/zinc/71/46/04/568714604.db2.gz NIPJRDFYHQYARM-YSSFQJQWSA-N 0 0 421.563 2.693 50 0 HFAARN C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C[C@@H](C)O1 ZINC000229718252 568714868 /nfs/dbraw/zinc/71/48/68/568714868.db2.gz CDZJPQDNQHEVBY-OAGGEKHMSA-N 0 0 407.942 2.697 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000229803269 568715195 /nfs/dbraw/zinc/71/51/95/568715195.db2.gz KWIBAVICXNVZAL-TXPKVOOTSA-N 0 0 420.554 2.862 50 0 HFAARN NC(=O)C1CCN(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000021578798 568720032 /nfs/dbraw/zinc/72/00/32/568720032.db2.gz BQSRLUAZOBSRSA-UHFFFAOYSA-N 0 0 403.486 2.675 50 0 HFAARN COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1Cl ZINC000012422960 568721519 /nfs/dbraw/zinc/72/15/19/568721519.db2.gz XALXDYGABJSIEO-UHFFFAOYSA-N 0 0 418.862 2.927 50 0 HFAARN COc1cc(OC)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)c1 ZINC000096294885 568722393 /nfs/dbraw/zinc/72/23/93/568722393.db2.gz SZOOIHWQMPAMBA-ZDUSSCGKSA-N 0 0 424.906 2.783 50 0 HFAARN Cc1cccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC000096317499 568726864 /nfs/dbraw/zinc/72/68/64/568726864.db2.gz OHKVACLZKXZPIB-UHFFFAOYSA-N 0 0 416.591 2.964 50 0 HFAARN Cc1ccc(CNC(=O)CN2c3cc(-c4cn(C)c5ccccc45)nn3CCC2=O)o1 ZINC000021645564 568728144 /nfs/dbraw/zinc/72/81/44/568728144.db2.gz PBOVCGXYIOVVFL-UHFFFAOYSA-N 0 0 417.469 2.996 50 0 HFAARN CCn1c2ccc(-c3noc(-c4cc5ccccc5oc4=O)n3)cc2[nH]c(=O)c1=O ZINC000096320598 568728482 /nfs/dbraw/zinc/72/84/82/568728482.db2.gz VJKQLRSRPIYVSG-UHFFFAOYSA-N 0 0 402.366 2.533 50 0 HFAARN Cc1[nH]c(C(=O)Nc2cc(Cl)ccc2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320017 568728527 /nfs/dbraw/zinc/72/85/27/568728527.db2.gz BUJZVDIUIQMQLT-UHFFFAOYSA-N 0 0 411.911 2.867 50 0 HFAARN CCOC(=O)c1noc2nc(C)n(Cc3nc(-c4ccc(OC)cc4)oc3C)c(=O)c21 ZINC000021648656 568728737 /nfs/dbraw/zinc/72/87/37/568728737.db2.gz VYQBRMJDPUZHHZ-UHFFFAOYSA-N 0 0 424.413 2.890 50 0 HFAARN CC(C)n1c2ccc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000096321507 568728811 /nfs/dbraw/zinc/72/88/11/568728811.db2.gz ZVWROBFARGFDFH-CYBMUJFWSA-N 0 0 419.441 2.812 50 0 HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[C@@H](OCc2ccncc2)C1 ZINC000239672500 568729849 /nfs/dbraw/zinc/72/98/49/568729849.db2.gz BTLTWPXPGIDNCO-WIYYLYMNSA-N 0 0 424.545 2.721 50 0 HFAARN CCOc1cc(CNC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)ccc1OC ZINC000021652425 568730242 /nfs/dbraw/zinc/73/02/42/568730242.db2.gz GHUPFLDKTHFDLB-UHFFFAOYSA-N 0 0 424.457 2.578 50 0 HFAARN Cc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)c1 ZINC000096322487 568730468 /nfs/dbraw/zinc/73/04/68/568730468.db2.gz GUBHLQYNSLSFBP-UHFFFAOYSA-N 0 0 416.416 2.897 50 0 HFAARN COCC[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C(=O)OC ZINC000240871469 568730589 /nfs/dbraw/zinc/73/05/89/568730589.db2.gz IKTZCOFDPHQTLK-GOSISDBHSA-N 0 0 413.499 2.935 50 0 HFAARN Cc1cc(C)c2c(=O)n(CC(=O)NC3CCCCC3)c(=O)n(-c3ccccc3)c2n1 ZINC000012446326 568733004 /nfs/dbraw/zinc/73/30/04/568733004.db2.gz FRWYJYKCCWKZNP-UHFFFAOYSA-N 0 0 406.486 2.613 50 0 HFAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000096323992 568733026 /nfs/dbraw/zinc/73/30/26/568733026.db2.gz HOVGHDYCLRJZRP-ZDUSSCGKSA-N 0 0 416.503 2.890 50 0 HFAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)o1 ZINC000000877637 568733743 /nfs/dbraw/zinc/73/37/43/568733743.db2.gz LKJOODSYYZXKGE-UHFFFAOYSA-N 0 0 423.454 2.985 50 0 HFAARN COc1cc(OC)cc(C(=O)N[C@@H](CC(C)C)C(=O)N=c2[nH]c3ccccc3[nH]2)c1 ZINC000096332439 568736279 /nfs/dbraw/zinc/73/62/79/568736279.db2.gz YTUDNSLGZXDWMG-IBGZPJMESA-N 0 0 410.474 2.785 50 0 HFAARN CCCCC(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000096333099 568736319 /nfs/dbraw/zinc/73/63/19/568736319.db2.gz AVPIHSSNAOWDJP-UHFFFAOYSA-N 0 0 405.502 2.679 50 0 HFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2ccc(F)cc2)CC3)n1C ZINC000096332611 568736471 /nfs/dbraw/zinc/73/64/71/568736471.db2.gz KXQQIBJKQUFIMP-UHFFFAOYSA-N 0 0 400.483 2.665 50 0 HFAARN CNC(=O)Cc1noc(CN(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)n1 ZINC000557226694 568736566 /nfs/dbraw/zinc/73/65/66/568736566.db2.gz RSPGZNOMVHSSNX-NVXWUHKLSA-N 0 0 416.522 2.956 50 0 HFAARN Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2Br)OCCO)cc1 ZINC000096338113 568736752 /nfs/dbraw/zinc/73/67/52/568736752.db2.gz OCNPJGDJDWULPK-INIZCTEOSA-N 0 0 414.321 2.786 50 0 HFAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@H](O)COc2cc(C)ccc2C)C1=O ZINC000025048188 568737515 /nfs/dbraw/zinc/73/75/15/568737515.db2.gz OMRFGMSHFUBMNT-UUOWRZLLSA-N 0 0 424.497 2.835 50 0 HFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2)no1 ZINC000021701868 568741583 /nfs/dbraw/zinc/74/15/83/568741583.db2.gz AHZHCERQJPAMHG-UHFFFAOYSA-N 0 0 408.480 2.757 50 0 HFAARN COc1ccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)cc1 ZINC000096386104 568742525 /nfs/dbraw/zinc/74/25/25/568742525.db2.gz SGEHVXDLPGJLQW-UHFFFAOYSA-N 0 0 420.444 2.824 50 0 HFAARN COc1ccc(CCNC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)cc1OC ZINC000585149941 568742822 /nfs/dbraw/zinc/74/28/22/568742822.db2.gz IEDJFOIDMWSQQL-UHFFFAOYSA-N 0 0 410.518 2.947 50 0 HFAARN O=C1[C@H](NS(=O)(=O)c2ccccc2Br)CCN1c1ccc(F)cc1 ZINC000096396248 568744774 /nfs/dbraw/zinc/74/47/74/568744774.db2.gz WHYNUXKLJSDQPC-CQSZACIVSA-N 0 0 413.268 2.672 50 0 HFAARN Cc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)s1 ZINC000096396975 568745570 /nfs/dbraw/zinc/74/55/70/568745570.db2.gz SOCAEQTWZUVSIU-UHFFFAOYSA-N 0 0 403.504 2.845 50 0 HFAARN Cc1oc(C2CCN(S(=O)(=O)c3cccs3)CC2)nc1C(=O)N1CCCC1 ZINC000096397141 568745963 /nfs/dbraw/zinc/74/59/63/568745963.db2.gz RTVLTJLGOKRMAF-UHFFFAOYSA-N 0 0 409.533 2.849 50 0 HFAARN CCCc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096398185 568746715 /nfs/dbraw/zinc/74/67/15/568746715.db2.gz XZKYAHQEHUPKDY-UHFFFAOYSA-N 0 0 411.531 2.935 50 0 HFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096398182 568746764 /nfs/dbraw/zinc/74/67/64/568746764.db2.gz MMCZPIGVJHSCCQ-UHFFFAOYSA-N 0 0 403.895 2.636 50 0 HFAARN O=C(c1ccc2ncnc(N3CCOCC3)c2c1)N1CCN(c2ccccc2F)CC1 ZINC000096399988 568749232 /nfs/dbraw/zinc/74/92/32/568749232.db2.gz KPFJYXQYGMZEJF-UHFFFAOYSA-N 0 0 421.476 2.568 50 0 HFAARN 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OITPDAJFLLAKGX-CSMYWGQOSA-N 0 0 403.566 2.745 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000017526082 569292512 /nfs/dbraw/zinc/29/25/12/569292512.db2.gz XHCKVEDMUPGUPM-UHFFFAOYSA-N 0 0 401.492 2.580 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000252536330 569292884 /nfs/dbraw/zinc/29/28/84/569292884.db2.gz IEKOVMKHDPVVEZ-ACJLOTCBSA-N 0 0 405.458 2.848 50 0 HFAARN CCCCn1c(CCC(=O)N[C@H](C)CC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000027337807 569293726 /nfs/dbraw/zinc/29/37/26/569293726.db2.gz DZKOXGXVCVSGMU-OAHLLOKOSA-N 0 0 408.568 2.934 50 0 HFAARN Cc1nnc(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C1CC1 ZINC000007617851 569296103 /nfs/dbraw/zinc/29/61/03/569296103.db2.gz FKXBSDNEMSPAOX-UHFFFAOYSA-N 0 0 406.533 2.681 50 0 HFAARN CCCCN(C(=O)Cc1c(F)cccc1Cl)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000007654383 569299163 /nfs/dbraw/zinc/29/91/63/569299163.db2.gz AWDVFEFXXFXWEF-UHFFFAOYSA-N 0 0 410.877 2.697 50 0 HFAARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000007679038 569300298 /nfs/dbraw/zinc/30/02/98/569300298.db2.gz PYENTOZMPFVTPQ-UHFFFAOYSA-N 0 0 411.241 2.914 50 0 HFAARN Cc1ccc(C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000007687811 569300824 /nfs/dbraw/zinc/30/08/24/569300824.db2.gz SYRYRTKMMSHQNW-UHFFFAOYSA-N 0 0 406.486 2.778 50 0 HFAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000007719256 569302170 /nfs/dbraw/zinc/30/21/70/569302170.db2.gz VOXPJPXJQDHCDO-HNNXBMFYSA-N 0 0 416.499 2.733 50 0 HFAARN CC1(C)Cc2cccc(OCC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)c2O1 ZINC000007748892 569306264 /nfs/dbraw/zinc/30/62/64/569306264.db2.gz WNSFQCFOEBUNHT-GOSISDBHSA-N 0 0 415.511 2.999 50 0 HFAARN CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000037557781 569306525 /nfs/dbraw/zinc/30/65/25/569306525.db2.gz YLNODGICOTZHRH-UHFFFAOYSA-N 0 0 407.514 2.863 50 0 HFAARN COC(=O)Cn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2ccccc2c1=O ZINC000007754200 569307122 /nfs/dbraw/zinc/30/71/22/569307122.db2.gz SWJYVALWQXWYPR-UHFFFAOYSA-N 0 0 417.531 2.699 50 0 HFAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000007784796 569310372 /nfs/dbraw/zinc/31/03/72/569310372.db2.gz NEHICJKNSGMJTC-QGZVFWFLSA-N 0 0 413.905 2.794 50 0 HFAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000007842234 569314055 /nfs/dbraw/zinc/31/40/55/569314055.db2.gz SOLQXYDLZBCCNI-UHFFFAOYSA-N 0 0 423.579 2.628 50 0 HFAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000196624850 569317258 /nfs/dbraw/zinc/31/72/58/569317258.db2.gz SOEQWLAFMILYLZ-HXUWFJFHSA-N 0 0 411.889 2.997 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@H]1c1cccs1 ZINC000252666021 569318999 /nfs/dbraw/zinc/31/89/99/569318999.db2.gz AFSPWBARRDYUGD-INIZCTEOSA-N 0 0 416.549 2.921 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3F)c(=O)n2[C@@H]1c1cccs1 ZINC000252670975 569319377 /nfs/dbraw/zinc/31/93/77/569319377.db2.gz MGDDIOLFJYPEQY-QGZVFWFLSA-N 0 0 414.483 2.609 50 0 HFAARN C[C@@H]1Oc2ccccc2C=C1C=c1sc2nc(=O)c(-c3ccccc3)nn2c1=O ZINC000252676342 569319591 /nfs/dbraw/zinc/31/95/91/569319591.db2.gz WUZBBLUNBQBODL-ZDUSSCGKSA-N 0 0 401.447 2.542 50 0 HFAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000007905992 569320628 /nfs/dbraw/zinc/32/06/28/569320628.db2.gz VZZZXYALKAMEEY-KRWDZBQOSA-N 0 0 412.515 2.709 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CN2CC(c3nc(Cc4ccccc4)no3)C2)cc1 ZINC000077190727 569327433 /nfs/dbraw/zinc/32/74/33/569327433.db2.gz IWFVRUNHSVBUSC-UHFFFAOYSA-N 0 0 420.469 2.875 50 0 HFAARN COc1cccc2c1N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC[C@H]2C ZINC000253370456 569364671 /nfs/dbraw/zinc/36/46/71/569364671.db2.gz RCTKQZANLFFIKB-AEFFLSMTSA-N 0 0 420.575 2.967 50 0 HFAARN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)CCc1nnc(C2CCCC2)o1 ZINC000253393182 569365097 /nfs/dbraw/zinc/36/50/97/569365097.db2.gz CQMRFVRKFMGKJP-CVEARBPZSA-N 0 0 420.510 2.507 50 0 HFAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000253395169 569365200 /nfs/dbraw/zinc/36/52/00/569365200.db2.gz BQEBKZBCDNFMBL-IBGZPJMESA-N 0 0 416.480 2.529 50 0 HFAARN O=S(=O)(Cc1cc(F)ccc1F)NC[C@@H](c1ccoc1)N1CCSCC1 ZINC000253397624 569365420 /nfs/dbraw/zinc/36/54/20/569365420.db2.gz FVHRNMKJYZISEP-KRWDZBQOSA-N 0 0 402.488 2.767 50 0 HFAARN CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@]2(C(=O)NCCCOC[C@H]2CCOC2)C1 ZINC000253417390 569367444 /nfs/dbraw/zinc/36/74/44/569367444.db2.gz WVIWNBGXJRJZSR-KGVIQGDOSA-N 0 0 410.555 2.973 50 0 HFAARN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000253423139 569367960 /nfs/dbraw/zinc/36/79/60/569367960.db2.gz ONHHUXSNVFTMJO-LJQANCHMSA-N 0 0 415.534 2.803 50 0 HFAARN CS(=O)(=O)c1nccc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)n1 ZINC000253428957 569368606 /nfs/dbraw/zinc/36/86/06/569368606.db2.gz GCTGCNXQLPPGGT-UHFFFAOYSA-N 0 0 411.487 2.976 50 0 HFAARN CCOc1ccccc1-n1c(N)c(C(=O)NCCOC)c2nc3ccccc3nc21 ZINC000002309619 569372779 /nfs/dbraw/zinc/37/27/79/569372779.db2.gz RKJWANVJENIJBU-UHFFFAOYSA-N 0 0 405.458 2.931 50 0 HFAARN COCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002328525 569375488 /nfs/dbraw/zinc/37/54/88/569375488.db2.gz GYXJIZPZNLXFHX-UHFFFAOYSA-N 0 0 421.457 2.549 50 0 HFAARN O=S(=O)(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1 ZINC000253471909 569381190 /nfs/dbraw/zinc/38/11/90/569381190.db2.gz GOODSXIEIJVTBV-LJQANCHMSA-N 0 0 415.496 2.741 50 0 HFAARN CN(Cc1ccccc1)C(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000253535976 569382949 /nfs/dbraw/zinc/38/29/49/569382949.db2.gz ZWSPLEXQJUFOEM-HXUWFJFHSA-N 0 0 404.470 2.884 50 0 HFAARN COc1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)N(C)C ZINC000007938794 569385253 /nfs/dbraw/zinc/38/52/53/569385253.db2.gz NXQOTDVDPJYSHK-UHFFFAOYSA-N 0 0 402.472 2.671 50 0 HFAARN O=C(CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCCn1ccnc1 ZINC000252492452 569387688 /nfs/dbraw/zinc/38/76/88/569387688.db2.gz MMTDVUBJRBRXPH-SFHVURJKSA-N 0 0 405.458 2.652 50 0 HFAARN Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc4c(c3)OCO4)[C@@H]2C(=O)C(F)(F)F)cc1 ZINC000027753927 569393046 /nfs/dbraw/zinc/39/30/46/569393046.db2.gz PGXQFTHZEXPKDE-GPMSIDNRSA-N 0 0 422.359 2.671 50 0 HFAARN CC(C)C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O ZINC000225417260 569395182 /nfs/dbraw/zinc/39/51/82/569395182.db2.gz YRVWEQQORGEBHY-LZNRXBQRSA-N 0 0 419.525 2.865 50 0 biogenic HFAARN CCOC(=O)C1CCN(CN2c3ccccc3C3(O[C@@H]4CCCC[C@H]4O3)C2=O)CC1 ZINC000055236056 569395408 /nfs/dbraw/zinc/39/54/08/569395408.db2.gz XACRSKPWLCDKLR-WOJBJXKFSA-N 0 0 414.502 2.777 50 0 HFAARN O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002439321 569400111 /nfs/dbraw/zinc/40/01/11/569400111.db2.gz BREWGHFKWPXYBT-SXGWCWSVSA-N 0 0 417.824 2.581 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000012378052 569400692 /nfs/dbraw/zinc/40/06/92/569400692.db2.gz UOFNIASNISBELO-ITICKHJUSA-N 0 0 420.490 2.504 50 0 HFAARN CCOC(=O)CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)C[C@H](C)CC3 ZINC000002443688 569400958 /nfs/dbraw/zinc/40/09/58/569400958.db2.gz XNACIGHOZZEMDK-SECBINFHSA-N 0 0 416.532 2.978 50 0 HFAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCCN1CCOCC1)c1ccccc1 ZINC000012419181 569401111 /nfs/dbraw/zinc/40/11/11/569401111.db2.gz BMIXENWBSAWHMU-UHFFFAOYSA-N 0 0 413.499 2.919 50 0 HFAARN COc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000012679240 569402781 /nfs/dbraw/zinc/40/27/81/569402781.db2.gz VQOSCISORUFRQB-UHFFFAOYSA-N 0 0 423.922 2.565 50 0 HFAARN COc1cc2c(c3oc(=O)c(CCC(=O)Nc4nc[nH]n4)c(C)c13)CCC(C)(C)O2 ZINC000012898489 569404790 /nfs/dbraw/zinc/40/47/90/569404790.db2.gz GPDKQGKATLYXHJ-UHFFFAOYSA-N 0 0 412.446 2.903 50 0 biogenic HFAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1Cc1ccc(F)cc1 ZINC000055342250 569405602 /nfs/dbraw/zinc/40/56/02/569405602.db2.gz NVIOFKFDSTXDOF-NQIIRXRSSA-N 0 0 422.460 2.557 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1 ZINC000013004908 569406532 /nfs/dbraw/zinc/40/65/32/569406532.db2.gz BKAPZXULQBAFTC-UHFFFAOYSA-N 0 0 422.528 2.519 50 0 HFAARN O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccnc1Cl ZINC000013023919 569407510 /nfs/dbraw/zinc/40/75/10/569407510.db2.gz LFFVGAIFSCZVMK-UHFFFAOYSA-N 0 0 416.648 2.954 50 0 HFAARN CC[C@@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000013038900 569407880 /nfs/dbraw/zinc/40/78/80/569407880.db2.gz HQLJOHXZOGAYBB-CQSZACIVSA-N 0 0 404.488 2.760 50 0 HFAARN COCCCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000013352122 569411135 /nfs/dbraw/zinc/41/11/35/569411135.db2.gz SQRLEZMUPWMTJG-UHFFFAOYSA-N 0 0 423.513 2.944 50 0 HFAARN COc1cccc(CNC(=O)N2CCC(C(=O)NCc3csc(C)n3)CC2)c1 ZINC000013354503 569411347 /nfs/dbraw/zinc/41/13/47/569411347.db2.gz BWKCRKKBABOGCL-UHFFFAOYSA-N 0 0 402.520 2.698 50 0 HFAARN CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000078934622 569421774 /nfs/dbraw/zinc/42/17/74/569421774.db2.gz ACRITGNGTIKEJB-CABCVRRESA-N 0 0 423.945 2.862 50 0 HFAARN N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cnc3ccc(Cl)cn32)N1)OCCCO4 ZINC000078997965 569423414 /nfs/dbraw/zinc/42/34/14/569423414.db2.gz RSMDRLLLHVUQQY-KRWDZBQOSA-N 0 0 409.837 2.595 50 0 HFAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC000079013590 569423690 /nfs/dbraw/zinc/42/36/90/569423690.db2.gz PKWRVEMYCHIPKA-QMMMGPOBSA-N 0 0 403.357 2.888 50 0 HFAARN CO[C@H](C)c1noc(CCC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000079016226 569423932 /nfs/dbraw/zinc/42/39/32/569423932.db2.gz DWALBSJNSSUZDY-CYBMUJFWSA-N 0 0 410.877 2.847 50 0 HFAARN CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000079023569 569424538 /nfs/dbraw/zinc/42/45/38/569424538.db2.gz YBJDJIPTQYUMBT-CABCVRRESA-N 0 0 404.492 2.532 50 0 HFAARN COc1cccc(CCNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)n1 ZINC000079057007 569425941 /nfs/dbraw/zinc/42/59/41/569425941.db2.gz OQFKNMMORMYLQI-QGZVFWFLSA-N 0 0 417.893 2.716 50 0 HFAARN COCCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000079109459 569428003 /nfs/dbraw/zinc/42/80/03/569428003.db2.gz JSDVKNAADMYEKW-INIZCTEOSA-N 0 0 418.925 2.909 50 0 HFAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079489848 569432348 /nfs/dbraw/zinc/43/23/48/569432348.db2.gz SBEBUFMIVRKATG-KKSFZXQISA-N 0 0 401.894 2.717 50 0 HFAARN O=C(C[C@@H]1CC(=O)Oc2ccccc21)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000079494306 569432624 /nfs/dbraw/zinc/43/26/24/569432624.db2.gz VEOCQGLROSMNKX-CQSZACIVSA-N 0 0 400.456 2.648 50 0 HFAARN CC(=O)c1ccc(OC(=O)[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000018022406 571039663 /nfs/dbraw/zinc/03/96/63/571039663.db2.gz LIEDZKGCXJZLHD-LWYYNNOASA-N 0 0 402.406 2.808 50 0 biogenic HFAARN COc1ccccc1C(=O)NCCS(=O)(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000263639636 571043528 /nfs/dbraw/zinc/04/35/28/571043528.db2.gz BGZHOZJVJIBWPG-UHFFFAOYSA-N 0 0 422.812 2.966 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H](CCSC)NC(=O)OCc1ccccc1)C(=O)OC ZINC000004763877 571045183 /nfs/dbraw/zinc/04/51/83/571045183.db2.gz LTJQSTNUVQFFAX-OIISXLGYSA-N 0 0 410.536 2.738 50 0 HFAARN COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)NCc1ccccc1 ZINC000008476210 571053168 /nfs/dbraw/zinc/05/31/68/571053168.db2.gz FKHMCFZGZPSSOR-UHFFFAOYSA-N 0 0 400.456 2.697 50 0 HFAARN COc1cccc(CNC(=O)c2nsc(C(=O)NCc3cccs3)c2N)c1 ZINC000067246182 571054332 /nfs/dbraw/zinc/05/43/32/571054332.db2.gz PNKKWMSDWVSLII-UHFFFAOYSA-N 0 0 402.501 2.655 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2=O)cc1 ZINC000067256008 571055843 /nfs/dbraw/zinc/05/58/43/571055843.db2.gz FEBSHCKARPHTLK-UHFFFAOYSA-N 0 0 407.470 2.962 50 0 HFAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cccnc4)ccn3n2)cc1C ZINC000067260929 571059922 /nfs/dbraw/zinc/05/99/22/571059922.db2.gz UCGNYIXZDDKFOX-UHFFFAOYSA-N 0 0 401.470 2.881 50 0 HFAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)NCCc2cccc(OC)c2)cc1 ZINC000038671340 571060558 /nfs/dbraw/zinc/06/05/58/571060558.db2.gz VNHPRSUDZNCDAP-UHFFFAOYSA-N 0 0 408.458 2.662 50 0 HFAARN CCc1ccc(-n2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)nn2)cc1 ZINC000067263271 571061718 /nfs/dbraw/zinc/06/17/18/571061718.db2.gz XOMNIMRBQJANRF-UHFFFAOYSA-N 0 0 403.486 2.995 50 0 HFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285855 571064645 /nfs/dbraw/zinc/06/46/45/571064645.db2.gz GZJKLJDWZFBNRX-FQEVSTJZSA-N 0 0 417.506 2.607 50 0 HFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287649 571065640 /nfs/dbraw/zinc/06/56/40/571065640.db2.gz CLFDJXRYGZNTFB-HXUWFJFHSA-N 0 0 401.507 2.988 50 0 HFAARN O=C(NCCSCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000008515565 571067726 /nfs/dbraw/zinc/06/77/26/571067726.db2.gz LOWUWQBBAVPNLF-MRXNPFEDSA-N 0 0 412.508 2.621 50 0 HFAARN COc1cccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)c1 ZINC000067300431 571073650 /nfs/dbraw/zinc/07/36/50/571073650.db2.gz MWDRYXWIDUNNTG-MRXNPFEDSA-N 0 0 421.497 2.640 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1 ZINC000067300890 571073925 /nfs/dbraw/zinc/07/39/25/571073925.db2.gz RRCNNLFEDKDXNX-UHFFFAOYSA-N 0 0 409.461 2.517 50 0 HFAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnnn1C1CCCC1 ZINC000008544776 571077615 /nfs/dbraw/zinc/07/76/15/571077615.db2.gz ZMMITMMNISSNRQ-HNNXBMFYSA-N 0 0 403.508 2.569 50 0 HFAARN Cc1c(C(=O)Nc2ccc(C)cc2C)nnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000067322801 571078408 /nfs/dbraw/zinc/07/84/08/571078408.db2.gz VDFFUTHROBONBM-UHFFFAOYSA-N 0 0 407.430 2.823 50 0 HFAARN O=C(NC[C@@H]1CCCO1)c1ccc(Oc2nccnc2N2CCSCC2)cc1 ZINC000067324008 571079140 /nfs/dbraw/zinc/07/91/40/571079140.db2.gz RHSNGTRCSMIABE-KRWDZBQOSA-N 0 0 400.504 2.731 50 0 HFAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008564237 571081925 /nfs/dbraw/zinc/08/19/25/571081925.db2.gz PBUKLQUYHBBRGH-ZSDSOXJFSA-N 0 0 401.532 2.870 50 0 HFAARN COC(=O)c1cc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)cc(C(=O)OC)c1 ZINC000008587748 571083833 /nfs/dbraw/zinc/08/38/33/571083833.db2.gz YLFVWBWVVCSWOW-UHFFFAOYSA-N 0 0 421.409 2.805 50 0 HFAARN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Br)cc2)Oc2ccccc21 ZINC000038834029 571085504 /nfs/dbraw/zinc/08/55/04/571085504.db2.gz ALDDMSYJFXGTQS-OAHLLOKOSA-N 0 0 411.277 2.615 50 0 HFAARN Cn1c2nnc(CCC(=O)NCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000008592230 571086300 /nfs/dbraw/zinc/08/63/00/571086300.db2.gz OZWJIKBTFBCLJF-UHFFFAOYSA-N 0 0 401.879 2.545 50 0 HFAARN Cc1ccccc1Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccco2)c1=O ZINC000008593154 571086942 /nfs/dbraw/zinc/08/69/42/571086942.db2.gz UXIVYSCKZBPUDR-UHFFFAOYSA-N 0 0 423.494 2.881 50 0 HFAARN Cc1ccccc1NC(=O)CSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000008611729 571094784 /nfs/dbraw/zinc/09/47/84/571094784.db2.gz UVUWMDLQDOWMKQ-UHFFFAOYSA-N 0 0 412.515 2.795 50 0 HFAARN CC(=O)Nc1nonc1-c1nnc(SCc2cccc(Br)c2)n1C ZINC000008614132 571095784 /nfs/dbraw/zinc/09/57/84/571095784.db2.gz ISSSYHFRYXYTOW-UHFFFAOYSA-N 0 0 409.269 2.878 50 0 HFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000008637476 571097472 /nfs/dbraw/zinc/09/74/72/571097472.db2.gz BIUMBCSTYVVHJC-HNNXBMFYSA-N 0 0 407.463 2.719 50 0 HFAARN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1Cl ZINC000008667748 571100102 /nfs/dbraw/zinc/10/01/02/571100102.db2.gz IJCNSBSGDLCRKO-UHFFFAOYSA-N 0 0 404.781 2.647 50 0 HFAARN CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3Cc2ccccc2Cl)n(C)c1=O ZINC000008706126 571103639 /nfs/dbraw/zinc/10/36/39/571103639.db2.gz NVOZCPBESZNBJV-LBPRGKRZSA-N 0 0 400.870 2.527 50 0 HFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000008723869 571107525 /nfs/dbraw/zinc/10/75/25/571107525.db2.gz IKNVMXQBLDOWMA-UHFFFAOYSA-N 0 0 413.474 2.763 50 0 HFAARN O=c1c2ccccc2nnn1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000008725770 571108154 /nfs/dbraw/zinc/10/81/54/571108154.db2.gz MINMHKLEGCBAKS-UHFFFAOYSA-N 0 0 419.514 2.718 50 0 HFAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008727144 571108806 /nfs/dbraw/zinc/10/88/06/571108806.db2.gz BPDWURUGTBZNBM-SCLBCKFNSA-N 0 0 408.458 2.792 50 0 HFAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@H]3C=CS(=O)(=O)C3)c(C)c21 ZINC000008764997 571115291 /nfs/dbraw/zinc/11/52/91/571115291.db2.gz GZQFYDUKNUOQSZ-AWEZNQCLSA-N 0 0 415.467 2.742 50 0 biogenic HFAARN COc1ccc2c(CCNC(=O)[C@@H](C(C)C)n3nnc4ccccc4c3=O)c[nH]c2c1 ZINC000008765001 571115448 /nfs/dbraw/zinc/11/54/48/571115448.db2.gz ZJJOUYOXTNQBKS-OAQYLSRUSA-N 0 0 419.485 2.837 50 0 biogenic HFAARN CC(C)Sc1nc2c(cnn2CCNC(=O)c2ccco2)c(N2CCCC2)n1 ZINC000008797803 571120098 /nfs/dbraw/zinc/12/00/98/571120098.db2.gz VEJRIVHZRBGGGC-UHFFFAOYSA-N 0 0 400.508 2.950 50 0 HFAARN O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000039224374 571121685 /nfs/dbraw/zinc/12/16/85/571121685.db2.gz AWEAMKYVJRWOHY-UHFFFAOYSA-N 0 0 423.425 2.513 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3C(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000039265613 571127482 /nfs/dbraw/zinc/12/74/82/571127482.db2.gz DZOVHWYRRAXEKZ-FQEVSTJZSA-N 0 0 420.469 2.625 50 0 HFAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000008862371 571128880 /nfs/dbraw/zinc/12/88/80/571128880.db2.gz PSZSTBVGPSLVTQ-OAQYLSRUSA-N 0 0 423.476 2.987 50 0 HFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008880341 571131324 /nfs/dbraw/zinc/13/13/24/571131324.db2.gz HTRNLJXVFSDSEH-KDOFPFPSSA-N 0 0 420.556 2.967 50 0 HFAARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000039588440 571133657 /nfs/dbraw/zinc/13/36/57/571133657.db2.gz CBUJUNRDTIGMMM-CMDGGOBGSA-N 0 0 401.415 2.916 50 0 HFAARN CNC(=O)NC(=O)[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)c1ccccc1 ZINC000039608539 571133717 /nfs/dbraw/zinc/13/37/17/571133717.db2.gz OYMAFMOGIHMHCY-NPQIQWPPSA-N 0 0 418.862 2.803 50 0 HFAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000039916472 571134960 /nfs/dbraw/zinc/13/49/60/571134960.db2.gz KYXUMDANJNTHAV-OAQYLSRUSA-N 0 0 416.543 2.973 50 0 HFAARN CCc1ccc([C@@H](NCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990641 571136578 /nfs/dbraw/zinc/13/65/78/571136578.db2.gz IARVFUSYEOHEJQ-UXHICEINSA-N 0 0 406.573 2.683 50 0 HFAARN COc1ccc(-c2noc(CCC(=O)NCCCn3nc(C)cc3C)n2)cc1OC ZINC000039995425 571136927 /nfs/dbraw/zinc/13/69/27/571136927.db2.gz OZVWNDDCJFTBRD-UHFFFAOYSA-N 0 0 413.478 2.706 50 0 HFAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccco2)CC(F)(F)F)C1=O ZINC000040005776 571137560 /nfs/dbraw/zinc/13/75/60/571137560.db2.gz NQOKWLANDUMMBY-SFHVURJKSA-N 0 0 409.364 2.638 50 0 HFAARN CN1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000040013003 571138389 /nfs/dbraw/zinc/13/83/89/571138389.db2.gz KURDBSUABPTSCX-OALUTQOASA-N 0 0 400.910 2.955 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccnc(N3CCCC3)c2)c1 ZINC000040049919 571143710 /nfs/dbraw/zinc/14/37/10/571143710.db2.gz QDCZISSKEOUJIG-UHFFFAOYSA-N 0 0 422.938 2.516 50 0 HFAARN O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc(F)cc1F ZINC000008903010 571145230 /nfs/dbraw/zinc/14/52/30/571145230.db2.gz BZPIGHBHYQQDGX-UHFFFAOYSA-N 0 0 416.775 2.548 50 0 HFAARN Cc1cc(NC(=O)c2csc(-c3ccccc3)n2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000040052034 571145573 /nfs/dbraw/zinc/14/55/73/571145573.db2.gz VCZUIFBTNDUFTH-AWEZNQCLSA-N 0 0 402.501 2.927 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000040059690 571146607 /nfs/dbraw/zinc/14/66/07/571146607.db2.gz VIGXTIJXWRXUEQ-MRXNPFEDSA-N 0 0 417.314 2.707 50 0 HFAARN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)o1 ZINC000040059962 571146924 /nfs/dbraw/zinc/14/69/24/571146924.db2.gz XYQWDRZAMOQNDQ-UHFFFAOYSA-N 0 0 413.883 2.638 50 0 HFAARN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040062110 571147509 /nfs/dbraw/zinc/14/75/09/571147509.db2.gz VLJVXFSEBHNBEQ-JTQLQIEISA-N 0 0 407.352 2.503 50 0 HFAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000008915866 571150960 /nfs/dbraw/zinc/15/09/60/571150960.db2.gz AAOUGXPORIZGCV-KDOFPFPSSA-N 0 0 413.426 2.664 50 0 HFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CCOc1ccc(F)cc1 ZINC000040072552 571153248 /nfs/dbraw/zinc/15/32/48/571153248.db2.gz LYUSHOLBTATLBQ-CQSZACIVSA-N 0 0 400.406 2.902 50 0 HFAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1nnc(C2CC2)o1 ZINC000040073233 571153465 /nfs/dbraw/zinc/15/34/65/571153465.db2.gz WFXZHWSYTUUDAS-UHFFFAOYSA-N 0 0 411.422 2.946 50 0 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/nfs/dbraw/zinc/29/92/26/557299226.db2.gz DJYYLCLUORVXNP-KRWDZBQOSA-N 0 0 410.518 2.715 50 0 HFAARN COC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000002172648 557321832 /nfs/dbraw/zinc/32/18/32/557321832.db2.gz AHYPDFXHKZEJDR-MGPUTAFESA-N 0 0 423.469 2.683 50 0 HFAARN CCc1cc2c(cc1O[C@H](C)C(=O)NCCO)occ(-c1nc(C)cs1)c2=O ZINC000002207690 557326598 /nfs/dbraw/zinc/32/65/98/557326598.db2.gz PTSWUJNZLIOELF-GFCCVEGCSA-N 0 0 402.472 2.663 50 0 HFAARN COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000002231829 557329323 /nfs/dbraw/zinc/32/93/23/557329323.db2.gz RLAHWCWCFAHUGA-KRWDZBQOSA-N 0 0 401.463 2.791 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c3ccccc3c(C)nn21 ZINC000002371417 557341633 /nfs/dbraw/zinc/34/16/33/557341633.db2.gz OAPLJKLJEZMOOK-UHFFFAOYSA-N 0 0 423.498 2.582 50 0 HFAARN CSc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc32)c1 ZINC000002457758 557349996 /nfs/dbraw/zinc/34/99/96/557349996.db2.gz ZQSZHZWLSVLROF-UHFFFAOYSA-N 0 0 408.530 2.720 50 0 HFAARN CCCN(CCC)C(=O)c1coc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000034677632 557365660 /nfs/dbraw/zinc/36/56/60/557365660.db2.gz WZWUQTSSXSLWFB-NRFANRHFSA-N 0 0 414.550 2.788 50 0 HFAARN O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1cccs1 ZINC000002694893 557368467 /nfs/dbraw/zinc/36/84/67/557368467.db2.gz PZPKQZLUAITCNH-UHFFFAOYSA-N 0 0 409.514 2.631 50 0 HFAARN O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(O)n1)Nc1ccc(F)cc1 ZINC000002692102 557368492 /nfs/dbraw/zinc/36/84/92/557368492.db2.gz JJMMWQHZMBDGEN-UHFFFAOYSA-N 0 0 419.459 2.885 50 0 HFAARN COCCn1c(=O)c2c(ncn2Cc2cccc(C)c2)n(-c2ccccc2C)c1=O ZINC000034692788 557373051 /nfs/dbraw/zinc/37/30/51/557373051.db2.gz DXLPZNIOOLCMLA-UHFFFAOYSA-N 0 0 404.470 2.660 50 0 HFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(CC(C)C)c(=O)n2-c1ccc(C)cc1C ZINC000034693769 557376362 /nfs/dbraw/zinc/37/63/62/557376362.db2.gz OTUKVOWBQXKREV-INIZCTEOSA-N 0 0 412.490 2.746 50 0 HFAARN CC(C)n1c(=O)c2c(ncn2CC(=O)C(C)(C)C)n(-c2ccc(F)cc2F)c1=O ZINC000034694246 557378062 /nfs/dbraw/zinc/37/80/62/557378062.db2.gz SNJSKTUUWRQJMZ-UHFFFAOYSA-N 0 0 404.417 2.823 50 0 HFAARN Nc1cc(=O)nc(SCC(=O)Nc2nc3c(s2)CCCC3)n1-c1ccccc1 ZINC000002784052 557387628 /nfs/dbraw/zinc/38/76/28/557387628.db2.gz ZGQQHILIHADXDR-UHFFFAOYSA-N 0 0 413.528 2.881 50 0 HFAARN O=C(NCc1ccncc1)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1 ZINC000034684770 557387995 /nfs/dbraw/zinc/38/79/95/557387995.db2.gz XIKVYUVJGDQPCR-UHFFFAOYSA-N 0 0 404.470 2.563 50 0 HFAARN COCC(=O)N1CCN(c2nc3ccccc3c3nnc(-c4cccs4)n32)C[C@H]1C ZINC000034706585 557388872 /nfs/dbraw/zinc/38/88/72/557388872.db2.gz UDEIVCLLEZBZEX-CQSZACIVSA-N 0 0 422.514 2.690 50 0 HFAARN CC[C@H](Sc1nc(=O)cc(N)n1-c1cccc(C)c1)C(=O)Nc1nnc(C)s1 ZINC000002801801 557390789 /nfs/dbraw/zinc/39/07/89/557390789.db2.gz MRLXKTOMYQBASL-ZDUSSCGKSA-N 0 0 416.532 2.792 50 0 HFAARN O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000002813977 557394736 /nfs/dbraw/zinc/39/47/36/557394736.db2.gz CFPBCCZTQBOLAG-AWEZNQCLSA-N 0 0 403.276 2.997 50 0 HFAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000002841811 557401413 /nfs/dbraw/zinc/40/14/13/557401413.db2.gz GUEXNQXVHMDDCJ-UHFFFAOYSA-N 0 0 406.504 2.888 50 0 HFAARN CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nccs1 ZINC000002853387 557406044 /nfs/dbraw/zinc/40/60/44/557406044.db2.gz JMPTWWTWKBHUKL-UHFFFAOYSA-N 0 0 420.495 2.554 50 0 HFAARN CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccco2)C(C)=C1C(=O)OC ZINC000002877413 557417786 /nfs/dbraw/zinc/41/77/86/557417786.db2.gz CCSIZLRBUSDRPG-QGZVFWFLSA-N 0 0 402.369 2.676 50 0 HFAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nncn4CC)CC3)C2=O)cc1 ZINC000002885256 557421790 /nfs/dbraw/zinc/42/17/90/557421790.db2.gz HWACEYURBBJMBL-IBGZPJMESA-N 0 0 411.506 2.598 50 0 HFAARN COc1ccc(C=CC(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000002900037 557424565 /nfs/dbraw/zinc/42/45/65/557424565.db2.gz HBESTCBHMTZDAB-YRNVUSSQSA-N 0 0 400.500 2.959 50 0 HFAARN COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000002925437 557427522 /nfs/dbraw/zinc/42/75/22/557427522.db2.gz HZFNNRCAJLIPRU-UHFFFAOYSA-N 0 0 408.545 2.675 50 0 HFAARN CCOc1ccc(N(CC(=O)NCCCOC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002962238 557431672 /nfs/dbraw/zinc/43/16/72/557431672.db2.gz QLKLICSUIRDTKE-UHFFFAOYSA-N 0 0 420.531 2.742 50 0 HFAARN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003004794 557440489 /nfs/dbraw/zinc/44/04/89/557440489.db2.gz MCWAOMOJDCWRTL-CYBMUJFWSA-N 0 0 411.321 2.947 50 0 HFAARN CCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000003142435 557451070 /nfs/dbraw/zinc/45/10/70/557451070.db2.gz ABWYBANVIMYIOJ-GFCCVEGCSA-N 0 0 412.726 2.982 50 0 HFAARN C[C@H]1CN(C(=O)c2cc3n(n2)CCN(Cc2c(F)cccc2Cl)C3=O)C[C@H](C)O1 ZINC000034811324 557464337 /nfs/dbraw/zinc/46/43/37/557464337.db2.gz GDHUPKJSVWILMR-STQMWFEESA-N 0 0 420.872 2.581 50 0 HFAARN COc1ccccc1CN1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CC1=O ZINC000034917384 557483103 /nfs/dbraw/zinc/48/31/03/557483103.db2.gz XPQHJQVLKLSNEH-SFHVURJKSA-N 0 0 411.477 2.532 50 0 HFAARN O=C(COc1ccccc1OCCO)Nc1ccc(I)cc1 ZINC000097336190 557486207 /nfs/dbraw/zinc/48/62/07/557486207.db2.gz SMNHRBSRMINAFB-UHFFFAOYSA-N 0 0 413.211 2.680 50 0 HFAARN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000003548848 557492380 /nfs/dbraw/zinc/49/23/80/557492380.db2.gz IAIPVPGTMQJVGB-UHFFFAOYSA-N 0 0 422.528 2.690 50 0 HFAARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000003612281 557494462 /nfs/dbraw/zinc/49/44/62/557494462.db2.gz IFAWCODLZUUUSK-SFHVURJKSA-N 0 0 407.348 2.748 50 0 HFAARN COC(=O)c1cn(NC(=O)/C=C/c2cc(OC)ccc2OC)c(=O)c2ccccc12 ZINC000003630808 557495274 /nfs/dbraw/zinc/49/52/74/557495274.db2.gz SQMOPMUCEHWQAL-DHZHZOJOSA-N 0 0 408.410 2.589 50 0 HFAARN COc1cccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)c1 ZINC000004039772 557507333 /nfs/dbraw/zinc/50/73/33/557507333.db2.gz WDGWHTOEYOJRNE-JYLXEMOASA-N 0 0 406.475 2.638 50 0 HFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1 ZINC000004101514 557513446 /nfs/dbraw/zinc/51/34/46/557513446.db2.gz HJTOBRJJPTXTCN-LJQANCHMSA-N 0 0 411.458 2.567 50 0 HFAARN Cc1ccccc1-c1c2c(cn1Cc1ccc3c(c1)OCO3)n(C)c(=O)n(C)c2=O ZINC000035324837 557514494 /nfs/dbraw/zinc/51/44/94/557514494.db2.gz IWPGKFCBFUZTOU-UHFFFAOYSA-N 0 0 403.438 2.791 50 0 HFAARN COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000004144346 557519721 /nfs/dbraw/zinc/51/97/21/557519721.db2.gz JLYNOMVNFPMSSJ-VKJFTORMSA-N 0 0 412.339 2.938 50 0 HFAARN Cc1ccc(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3cccnc32)cc1 ZINC000004315937 557540356 /nfs/dbraw/zinc/54/03/56/557540356.db2.gz PTGYVQYHHXFSOX-UHFFFAOYSA-N 0 0 401.422 2.692 50 0 HFAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccncc1 ZINC000004371962 557548006 /nfs/dbraw/zinc/54/80/06/557548006.db2.gz SZAYCZXSMFSWFN-FQEVSTJZSA-N 0 0 404.474 2.834 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1C ZINC000004413945 557553321 /nfs/dbraw/zinc/55/33/21/557553321.db2.gz FZJGQNRLMOJAFP-SFHVURJKSA-N 0 0 417.531 2.506 50 0 HFAARN CS(=O)(=O)N1CCc2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc21 ZINC000004512217 557561887 /nfs/dbraw/zinc/56/18/87/557561887.db2.gz QLDAGDWAXVCZLC-UHFFFAOYSA-N 0 0 410.495 2.971 50 0 HFAARN COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004512520 557562006 /nfs/dbraw/zinc/56/20/06/557562006.db2.gz UCIOPPQTVBUZFU-CYBMUJFWSA-N 0 0 402.834 2.883 50 0 HFAARN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000004555555 557567666 /nfs/dbraw/zinc/56/76/66/557567666.db2.gz QDRXUEXOYRICLL-LJQANCHMSA-N 0 0 408.454 2.531 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000004655560 557576292 /nfs/dbraw/zinc/57/62/92/557576292.db2.gz SOXHRQURNPRMDQ-CYBMUJFWSA-N 0 0 412.225 2.697 50 0 biogenic,in-vitro HFAARN CCCCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCCOC)cc1OC ZINC000004680213 557580648 /nfs/dbraw/zinc/58/06/48/557580648.db2.gz PZOAPZUZQXZZSX-GOSISDBHSA-N 0 0 408.520 2.857 50 0 HFAARN O=C(C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCCCC1 ZINC000004704111 557584505 /nfs/dbraw/zinc/58/45/05/557584505.db2.gz UVPLPHGTFUZTKW-LJQANCHMSA-N 0 0 401.482 2.572 50 0 HFAARN CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)s1 ZINC000004732256 557588612 /nfs/dbraw/zinc/58/86/12/557588612.db2.gz TXCTYLGGSBPJAQ-ZDUSSCGKSA-N 0 0 404.492 2.507 50 0 HFAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]1C2 ZINC000004761356 557595684 /nfs/dbraw/zinc/59/56/84/557595684.db2.gz LNTJVGVZNMFRSB-QGZVFWFLSA-N 0 0 411.483 2.721 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1 ZINC000004784636 557597771 /nfs/dbraw/zinc/59/77/71/557597771.db2.gz QIDZCNNPVUBOFK-QIPRVMPFSA-N 0 0 410.520 2.860 50 0 HFAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCCCOC)cc1 ZINC000004785096 557597986 /nfs/dbraw/zinc/59/79/86/557597986.db2.gz MYYPRBFFYGGTEL-LJQANCHMSA-N 0 0 406.504 2.798 50 0 HFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000004807930 557599322 /nfs/dbraw/zinc/59/93/22/557599322.db2.gz QJVJZJVYLMIOOF-IUYQLWOBSA-N 0 0 414.870 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NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000015513955 558741947 /nfs/dbraw/zinc/74/19/47/558741947.db2.gz VQNUZQPTQPTCFF-UHFFFAOYSA-N 0 0 423.494 2.559 50 0 HFAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000015567642 558744298 /nfs/dbraw/zinc/74/42/98/558744298.db2.gz XWPUMLLKQFLGOG-UHFFFAOYSA-N 0 0 411.421 2.867 50 0 HFAARN Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000015584617 558744821 /nfs/dbraw/zinc/74/48/21/558744821.db2.gz BZZKSVICLYBNHY-HNNXBMFYSA-N 0 0 401.463 2.510 50 0 HFAARN Cc1cc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000015604500 558745784 /nfs/dbraw/zinc/74/57/84/558745784.db2.gz USLYDJNLRWFHLM-UHFFFAOYSA-N 0 0 415.490 2.622 50 0 HFAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000015641624 558747297 /nfs/dbraw/zinc/74/72/97/558747297.db2.gz SPDXKNDHLFJTFX-UHFFFAOYSA-N 0 0 423.860 2.617 50 0 HFAARN NS(=O)(=O)c1ccc(NC(=O)CN[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000072296316 558749142 /nfs/dbraw/zinc/74/91/42/558749142.db2.gz AANMNNFUKCTCLR-IBGZPJMESA-N 0 0 419.503 2.852 50 0 HFAARN COCCCCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000072301535 558751596 /nfs/dbraw/zinc/75/15/96/558751596.db2.gz YZMWLZYLMITMFR-INIZCTEOSA-N 0 0 412.328 2.666 50 0 HFAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000032959258 558754878 /nfs/dbraw/zinc/75/48/78/558754878.db2.gz IRZNEYYXEFXFSK-UHFFFAOYSA-N 0 0 411.483 2.530 50 0 HFAARN Cc1ccc2oc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831177 558755236 /nfs/dbraw/zinc/75/52/36/558755236.db2.gz KKMFTHDQUPKIQJ-AWEZNQCLSA-N 0 0 401.440 2.524 50 0 HFAARN COc1cccc(CNC(=O)CCn2cnc3onc(-c4ccccc4)c3c2=O)c1 ZINC000033250093 558762469 /nfs/dbraw/zinc/76/24/69/558762469.db2.gz LLWUCUWZAMGHJW-UHFFFAOYSA-N 0 0 404.426 2.767 50 0 HFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@](C)(O)c1cccs1)C2=O ZINC000072306579 558763326 /nfs/dbraw/zinc/76/33/26/558763326.db2.gz NEAYTQQRUFTPJB-NAXCRDPKSA-N 0 0 421.563 2.599 50 0 HFAARN C[C@H](C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O ZINC000015973585 558764883 /nfs/dbraw/zinc/76/48/83/558764883.db2.gz FRLFATVGHMCDQS-LSDHHAIUSA-N 0 0 420.465 2.978 50 0 HFAARN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000072306669 558764938 /nfs/dbraw/zinc/76/49/38/558764938.db2.gz FXADFVPLLZBMDN-MLCYQJTMSA-N 0 0 414.289 2.597 50 0 HFAARN CN([C@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000072307445 558767364 /nfs/dbraw/zinc/76/73/64/558767364.db2.gz SEUAGWOLPDJNPB-GOSISDBHSA-N 0 0 410.561 2.763 50 0 HFAARN C/C(Cl)=C\CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000033345518 558767412 /nfs/dbraw/zinc/76/74/12/558767412.db2.gz PQYOUENZSWDMBY-DHZHZOJOSA-N 0 0 408.886 2.856 50 0 HFAARN O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc(F)c(F)c1 ZINC000022938965 558771028 /nfs/dbraw/zinc/77/10/28/558771028.db2.gz VFNQRKKWZGZKFU-UHFFFAOYSA-N 0 0 422.863 2.813 50 0 HFAARN O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCCCC1 ZINC000016091430 558771401 /nfs/dbraw/zinc/77/14/01/558771401.db2.gz LDYBQVZAHQWPFI-UHFFFAOYSA-N 0 0 415.353 2.862 50 0 HFAARN Cc1c(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)sc2[nH]c(C)nc(=O)c12 ZINC000016097267 558771706 /nfs/dbraw/zinc/77/17/06/558771706.db2.gz KYTYHNUJPONHHA-UHFFFAOYSA-N 0 0 419.890 2.771 50 0 HFAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)C1 ZINC000016113026 558772443 /nfs/dbraw/zinc/77/24/43/558772443.db2.gz OAPPRKYBIWVNHW-AWEZNQCLSA-N 0 0 422.528 2.503 50 0 HFAARN CCNC(=O)c1cccc(NC(=O)CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000072311056 558778408 /nfs/dbraw/zinc/77/84/08/558778408.db2.gz MTTUJAIRHOYORN-WQIZZMQYSA-N 0 0 401.532 2.805 50 0 HFAARN Cc1cccc2c(=O)n(CC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cnc12 ZINC000016260642 558781781 /nfs/dbraw/zinc/78/17/81/558781781.db2.gz QHBLYVJKJCTMFO-UHFFFAOYSA-N 0 0 418.497 2.647 50 0 HFAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000060240542 558782731 /nfs/dbraw/zinc/78/27/31/558782731.db2.gz ODTICUURTXSIIT-UHFFFAOYSA-N 0 0 405.545 2.859 50 0 HFAARN Cc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccs2)cc1 ZINC000016311656 558785527 /nfs/dbraw/zinc/78/55/27/558785527.db2.gz QCCQTSPRJGGTIC-UHFFFAOYSA-N 0 0 405.487 2.993 50 0 HFAARN COc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000034857983 558785498 /nfs/dbraw/zinc/78/54/98/558785498.db2.gz YUJRTGXESLYAGQ-UHFFFAOYSA-N 0 0 416.952 2.795 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000034892136 558787062 /nfs/dbraw/zinc/78/70/62/558787062.db2.gz XMRFQAFXBTUMJO-UKRRQHHQSA-N 0 0 424.929 2.623 50 0 HFAARN O=C(CCn1nc(-c2cccs2)oc1=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000016366935 558788354 /nfs/dbraw/zinc/78/83/54/558788354.db2.gz HTJCEUDEUSYQAR-QGZVFWFLSA-N 0 0 413.455 2.518 50 0 HFAARN O=C(NCCN1CCOCC1)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000035181175 558788960 /nfs/dbraw/zinc/78/89/60/558788960.db2.gz TZTDZJQAOAQWBR-UHFFFAOYSA-N 0 0 422.529 2.581 50 0 HFAARN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@H](O)C(F)(F)F ZINC000072311666 558790559 /nfs/dbraw/zinc/79/05/59/558790559.db2.gz XNMHHNZIXFFJBG-LBPRGKRZSA-N 0 0 406.202 2.905 50 0 HFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCc2c(c(C(=O)NCc3ccccc3)nn2C)C1 ZINC000035405941 558790903 /nfs/dbraw/zinc/79/09/03/558790903.db2.gz CTAJGAZSECOPPL-QGZVFWFLSA-N 0 0 418.497 2.702 50 0 HFAARN O=C(c1cc(Br)ccc1O)N1CCN(CCOc2ccccc2)CC1 ZINC000016497121 558794905 /nfs/dbraw/zinc/79/49/05/558794905.db2.gz PCHMNAVGIJYVJN-UHFFFAOYSA-N 0 0 405.292 2.992 50 0 HFAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000016553358 558795786 /nfs/dbraw/zinc/79/57/86/558795786.db2.gz JQRKAESUQUQANB-UHFFFAOYSA-N 0 0 421.544 2.935 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(SC)c1 ZINC000016598430 558796446 /nfs/dbraw/zinc/79/64/46/558796446.db2.gz CEYBWNFYXUOULR-UHFFFAOYSA-N 0 0 422.528 2.690 50 0 HFAARN COc1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c1 ZINC000016600540 558796485 /nfs/dbraw/zinc/79/64/85/558796485.db2.gz CNSLPPXZEQDTMD-UHFFFAOYSA-N 0 0 418.515 2.855 50 0 HFAARN CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(=O)N1CCOCC1 ZINC000016626303 558797022 /nfs/dbraw/zinc/79/70/22/558797022.db2.gz RJSUCXYFWKZHDD-UHFFFAOYSA-N 0 0 406.529 2.990 50 0 HFAARN CCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2)[C@@H](c2cc(OC)ccc2OC)C1 ZINC000036045928 558797050 /nfs/dbraw/zinc/79/70/50/558797050.db2.gz QXGOMYCXIAUADO-WOJBJXKFSA-N 0 0 411.502 2.765 50 0 HFAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NC3CC3)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036059885 558797312 /nfs/dbraw/zinc/79/73/12/558797312.db2.gz ULZWDSZMJFSALV-NHCUHLMSSA-N 0 0 424.497 2.847 50 0 HFAARN COc1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3OC)[C@H](C(=O)NC3CC3)C2)c1 ZINC000036059922 558797353 /nfs/dbraw/zinc/79/73/53/558797353.db2.gz UGGWWNOGVCOHTK-LEWJYISDSA-N 0 0 424.497 2.847 50 0 HFAARN O=C(CNC(=O)c1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1 ZINC000016681226 558799275 /nfs/dbraw/zinc/79/92/75/558799275.db2.gz ICHYPKLKVORVLI-UHFFFAOYSA-N 0 0 416.231 2.972 50 0 HFAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)NC(=O)Nc1ccccc1 ZINC000036646142 558800711 /nfs/dbraw/zinc/80/07/11/558800711.db2.gz WOGJYDVFACTGAO-UHFFFAOYSA-N 0 0 420.454 2.549 50 0 HFAARN CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3cccc(Br)c3)ccc21 ZINC000032983354 558804485 /nfs/dbraw/zinc/80/44/85/558804485.db2.gz KNNPHPUCCNMVOR-UHFFFAOYSA-N 0 0 416.279 2.924 50 0 HFAARN Fc1ccc(Oc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)c(Cl)c1 ZINC000037379063 558804612 /nfs/dbraw/zinc/80/46/12/558804612.db2.gz WNJRPPKIBORZSJ-UHFFFAOYSA-N 0 0 421.904 2.516 50 0 HFAARN O=C(N[C@H](O)C(Br)(Br)Br)c1ccccc1 ZINC000071769931 558808380 /nfs/dbraw/zinc/80/83/80/558808380.db2.gz CSEMIJCRRLPIGW-MRVPVSSYSA-N 0 0 401.880 2.573 50 0 HFAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3N2)c1 ZINC000038163176 558811024 /nfs/dbraw/zinc/81/10/24/558811024.db2.gz GYBRWYGHTJXDSF-RDJZCZTQSA-N 0 0 423.439 2.940 50 0 HFAARN COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)o2)c1 ZINC000017046119 558813047 /nfs/dbraw/zinc/81/30/47/558813047.db2.gz SBWFLRLXAWSSNF-SNVBAGLBSA-N 0 0 408.480 2.859 50 0 HFAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000017064717 558813507 /nfs/dbraw/zinc/81/35/07/558813507.db2.gz BAQUJNRNZWCMMB-UHFFFAOYSA-N 0 0 419.403 2.878 50 0 HFAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCc3ccccc3C2)c1C(=O)OC(C)C ZINC000017090345 558818965 /nfs/dbraw/zinc/81/89/65/558818965.db2.gz OECRTEFHNPDWAG-UHFFFAOYSA-N 0 0 415.515 2.717 50 0 HFAARN CCOC(=O)CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000039442778 558821304 /nfs/dbraw/zinc/82/13/04/558821304.db2.gz SZIKSHMPNGASDQ-UHFFFAOYSA-N 0 0 422.529 2.952 50 0 HFAARN CCC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Br)c2)c1=O ZINC000097938246 558824709 /nfs/dbraw/zinc/82/47/09/558824709.db2.gz FLRSINRQFHLJJK-UHFFFAOYSA-N 0 0 406.280 2.584 50 0 HFAARN COc1ccc2nc(NC(=O)c3n[nH]cc3I)sc2c1 ZINC000018172634 558832566 /nfs/dbraw/zinc/83/25/66/558832566.db2.gz YIFDNPORKSPGST-UHFFFAOYSA-N 0 0 400.201 2.885 50 0 HFAARN CC(=O)N1CCc2cc(C(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)ccc21 ZINC000060319795 558834573 /nfs/dbraw/zinc/83/45/73/558834573.db2.gz NRBVLFQCCWUXAD-UHFFFAOYSA-N 0 0 401.507 2.973 50 0 HFAARN O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1 ZINC000018250440 558834717 /nfs/dbraw/zinc/83/47/17/558834717.db2.gz BVSFUMVOSNOWCE-AWEZNQCLSA-N 0 0 403.232 2.600 50 0 HFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c[nH]c4ccccc43)cc12 ZINC000013523323 558836016 /nfs/dbraw/zinc/83/60/16/558836016.db2.gz UYUOVVKIXOWLSG-UHFFFAOYSA-N 0 0 419.437 2.568 50 0 HFAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000046141518 558840046 /nfs/dbraw/zinc/84/00/46/558840046.db2.gz GRZYEGQQNOCFCA-UHFFFAOYSA-N 0 0 422.507 2.849 50 0 HFAARN O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000046453830 558840484 /nfs/dbraw/zinc/84/04/84/558840484.db2.gz FUPMKOKDSDESPB-CQSZACIVSA-N 0 0 402.607 2.941 50 0 HFAARN COC(=O)Cn1ncc2c1ncnc2N[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000072313839 558841237 /nfs/dbraw/zinc/84/12/37/558841237.db2.gz XRSXXQKLBJGXDX-QGZVFWFLSA-N 0 0 411.462 2.803 50 0 HFAARN Cc1cn2cc(CNC(=O)CCc3nnc(-c4ccc5c(c4)OCO5)o3)nc2s1 ZINC000019110692 558841523 /nfs/dbraw/zinc/84/15/23/558841523.db2.gz SJQNIQHIXALMAG-UHFFFAOYSA-N 0 0 411.443 2.732 50 0 HFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000013543538 558842518 /nfs/dbraw/zinc/84/25/18/558842518.db2.gz OMFRZALNWCKPNE-UHFFFAOYSA-N 0 0 418.607 2.645 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1 ZINC000013610272 558847357 /nfs/dbraw/zinc/84/73/57/558847357.db2.gz XXXJPAPCFFSAIB-UHFFFAOYSA-N 0 0 402.472 2.828 50 0 HFAARN COc1cc(F)ccc1C1=NN(S(C)(=O)=O)[C@H](c2cccc3nccnc32)C1 ZINC000072314668 558848385 /nfs/dbraw/zinc/84/83/85/558848385.db2.gz XALUBTVUFYDQRV-KRWDZBQOSA-N 0 0 400.435 2.888 50 0 HFAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000013704846 558857417 /nfs/dbraw/zinc/85/74/17/558857417.db2.gz FUHIUASWCMEADB-UHFFFAOYSA-N 0 0 422.528 2.812 50 0 HFAARN COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1F ZINC000072329640 558865022 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/nfs/dbraw/zinc/45/96/74/568459674.db2.gz JASMMZLYPXISAI-CQSZACIVSA-N 0 0 411.597 2.531 50 0 HFAARN Cc1c(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cnn1C ZINC000000657200 568459701 /nfs/dbraw/zinc/45/97/01/568459701.db2.gz ILSAGOMDMZZAGK-UHFFFAOYSA-N 0 0 408.222 2.673 50 0 HFAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCCC1 ZINC000000667278 568460437 /nfs/dbraw/zinc/46/04/37/568460437.db2.gz BTJOJRUQCLQTTG-UHFFFAOYSA-N 0 0 408.907 2.820 50 0 HFAARN CCc1nnc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)s1 ZINC000024763236 568461654 /nfs/dbraw/zinc/46/16/54/568461654.db2.gz PPRSXEKKJBNEDN-UHFFFAOYSA-N 0 0 422.557 2.935 50 0 HFAARN CC(=O)Nc1ccc(SCCCC(=O)N2CCN(Cc3ccccc3)CC2)nn1 ZINC000021148916 568461840 /nfs/dbraw/zinc/46/18/40/568461840.db2.gz JPFPOMQPPRAZHQ-UHFFFAOYSA-N 0 0 413.547 2.652 50 0 HFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccc(O)cc3)cc1O2 ZINC000012296487 568462625 /nfs/dbraw/zinc/46/26/25/568462625.db2.gz TZCBHEKVBTYXCS-UHFFFAOYSA-N 0 0 424.453 2.756 50 0 biogenic HFAARN COc1cccc(N2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)CC2=O)c1 ZINC000012296545 568462626 /nfs/dbraw/zinc/46/26/26/568462626.db2.gz BMTBUDNZLKXUPY-KRWDZBQOSA-N 0 0 410.470 2.650 50 0 biogenic HFAARN O=C(Nc1ncccn1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000021210337 568463395 /nfs/dbraw/zinc/46/33/95/568463395.db2.gz IXMNUKHOKYBUHW-UHFFFAOYSA-N 0 0 415.302 2.823 50 0 HFAARN O=C(N[C@@H](C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1 ZINC000000716745 568465747 /nfs/dbraw/zinc/46/57/47/568465747.db2.gz KJFZARJZMKBBKI-HXUWFJFHSA-N 0 0 414.417 2.955 50 0 HFAARN CCOC(=O)N1CCN(C(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)CC1 ZINC000007006032 568467083 /nfs/dbraw/zinc/46/70/83/568467083.db2.gz CNADUFQSEDAWRH-UHFFFAOYSA-N 0 0 411.437 2.716 50 0 HFAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000012321522 568470885 /nfs/dbraw/zinc/47/08/85/568470885.db2.gz SKHWXILLUDHBEB-SFHVURJKSA-N 0 0 404.470 2.775 50 0 HFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2[nH]c4ccccc4n23)c(OC)c1OC ZINC000012323725 568471470 /nfs/dbraw/zinc/47/14/70/568471470.db2.gz UMBWNQKMGDXDJA-LBPRGKRZSA-N 0 0 420.425 2.676 50 0 HFAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1Cl ZINC000000798717 568483062 /nfs/dbraw/zinc/48/30/62/568483062.db2.gz VCAQXDQXLDMOLL-UHFFFAOYSA-N 0 0 408.907 2.820 50 0 HFAARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ncc[nH]1 ZINC000604405828 568492653 /nfs/dbraw/zinc/49/26/53/568492653.db2.gz RZNQUVUIABOCTI-LJQANCHMSA-N 0 0 401.426 2.943 50 0 biogenic HFAARN O=C([C@@H]1Cc2ccccc2CO1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390830422 568494756 /nfs/dbraw/zinc/49/47/56/568494756.db2.gz LAIZCVHBTYUWQI-VQTJNVASSA-N 0 0 403.475 2.655 50 0 HFAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c1 ZINC000000812515 568494942 /nfs/dbraw/zinc/49/49/42/568494942.db2.gz BLUSHNHCHOIFLJ-IBGZPJMESA-N 0 0 417.487 2.773 50 0 HFAARN O=C(CSc1ccc(F)cc1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390832092 568496334 /nfs/dbraw/zinc/49/63/34/568496334.db2.gz XETZUUVJHXFXNT-UHFFFAOYSA-N 0 0 404.492 2.948 50 0 HFAARN Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)on2)cc1 ZINC000008329076 568498191 /nfs/dbraw/zinc/49/81/91/568498191.db2.gz ZSNXCUIKJZHGGQ-CQSZACIVSA-N 0 0 400.464 2.546 50 0 HFAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cc(C)ccc2C)cc1 ZINC000000821188 568498336 /nfs/dbraw/zinc/49/83/36/568498336.db2.gz BRQYNSYUTSPCJH-UHFFFAOYSA-N 0 0 402.516 2.666 50 0 HFAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)nc1 ZINC000022965357 568500936 /nfs/dbraw/zinc/50/09/36/568500936.db2.gz XWACKJALYXTSJN-UHFFFAOYSA-N 0 0 410.455 2.880 50 0 HFAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)S(=O)(=O)N=C1c1ccccc1 ZINC000221643021 568510164 /nfs/dbraw/zinc/51/01/64/568510164.db2.gz USTCFIDQORBGDA-UHFFFAOYSA-N 0 0 400.456 2.692 50 0 HFAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCc3ccco3)s2)cc1 ZINC000032987493 568510541 /nfs/dbraw/zinc/51/05/41/568510541.db2.gz GJABHCWHQTVNPV-UHFFFAOYSA-N 0 0 400.460 2.567 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c(=O)nc3c4c5c(sc4ncn32)C[C@@H](C)CC5)cc1 ZINC000033289406 568513637 /nfs/dbraw/zinc/51/36/37/568513637.db2.gz ZOZLUBKJDVCWFR-AWEZNQCLSA-N 0 0 421.526 2.855 50 0 HFAARN Cc1c(Cc2ccccc2)c(=O)n2nc(-c3ccccc3)nc2n1CC(=O)NC1CC1 ZINC000033324752 568513898 /nfs/dbraw/zinc/51/38/98/568513898.db2.gz HNINNIVBMPJBSI-UHFFFAOYSA-N 0 0 413.481 2.736 50 0 HFAARN C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000223213188 568541185 /nfs/dbraw/zinc/54/11/85/568541185.db2.gz JDZDHQJHNYHAKL-BEFAXECRSA-N 0 0 414.527 2.666 50 0 HFAARN CC(C)[C@@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000223215404 568541288 /nfs/dbraw/zinc/54/12/88/568541288.db2.gz DYEIXLCYPZNMMJ-LJQANCHMSA-N 0 0 405.458 2.848 50 0 HFAARN CSCC[C@@H](NC(=O)CCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000223227286 568541618 /nfs/dbraw/zinc/54/16/18/568541618.db2.gz AXBAAVITBTYLJJ-QGZVFWFLSA-N 0 0 423.498 2.555 50 0 HFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2c1=O ZINC000390829669 568591909 /nfs/dbraw/zinc/59/19/09/568591909.db2.gz FUKMSBSMXAGOBU-UHFFFAOYSA-N 0 0 421.501 2.650 50 0 HFAARN CC1=C[C@H]2C(=O)NC(CSCC(=O)NCCc3c[nH]c4ccccc34)=N[C@H]2S1 ZINC000094992944 568593440 /nfs/dbraw/zinc/59/34/40/568593440.db2.gz ZOLSLKQDZICHRO-YWZLYKJASA-N 0 0 414.556 2.681 50 0 HFAARN COCc1nnc(NC(=O)c2cn(-c3cccc(C)n3)c(=O)c3ccccc23)s1 ZINC000094993107 568593565 /nfs/dbraw/zinc/59/35/65/568593565.db2.gz ZNJKSDIRGFWIKK-UHFFFAOYSA-N 0 0 407.455 2.944 50 0 HFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000020274006 568596523 /nfs/dbraw/zinc/59/65/23/568596523.db2.gz FDXOYUWJZCFWQX-OXJNMPFZSA-N 0 0 410.426 2.728 50 0 biogenic HFAARN COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1OC ZINC000020287835 568597148 /nfs/dbraw/zinc/59/71/48/568597148.db2.gz UVYUTUBYUCIFBP-ZHRRBRCNSA-N 0 0 417.575 2.801 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CC1 ZINC000095352937 568601343 /nfs/dbraw/zinc/60/13/43/568601343.db2.gz NJZHSBAFGUJALD-UHFFFAOYSA-N 0 0 418.497 2.541 50 0 HFAARN CC(C)[C@H](OC(=O)c1cc2c([nH]c1=O)CCC2)C(=O)N1CCc2sccc2C1 ZINC000095369349 568602215 /nfs/dbraw/zinc/60/22/15/568602215.db2.gz VJPZSRFNLHKSPP-SFHVURJKSA-N 0 0 400.500 2.691 50 0 HFAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000095406051 568606145 /nfs/dbraw/zinc/60/61/45/568606145.db2.gz BDFABTFVFOQPNA-HUUCEWRRSA-N 0 0 410.946 2.645 50 0 HFAARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000095430603 568608985 /nfs/dbraw/zinc/60/89/85/568608985.db2.gz ZIGHDOYBBZPPAE-GOSISDBHSA-N 0 0 422.872 2.657 50 0 HFAARN CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCN1C[C@@H](C)O ZINC000095433264 568609425 /nfs/dbraw/zinc/60/94/25/568609425.db2.gz UGRICPRGGRCYII-NEPJUHHUSA-N 0 0 414.877 2.825 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)OC(C)(C)C ZINC000095436591 568609748 /nfs/dbraw/zinc/60/97/48/568609748.db2.gz YJUQUEPGVLWXSZ-HZMBPMFUSA-N 0 0 417.300 2.645 50 0 HFAARN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H](CC)OC3CCCCC3)C2)no1 ZINC000095436372 568609754 /nfs/dbraw/zinc/60/97/54/568609754.db2.gz KVRONXDWGNUCTM-WMZOPIPTSA-N 0 0 406.527 2.709 50 0 HFAARN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H](CC)OC3CCCCC3)C2)no1 ZINC000095436370 568609781 /nfs/dbraw/zinc/60/97/81/568609781.db2.gz KVRONXDWGNUCTM-FUHWJXTLSA-N 0 0 406.527 2.709 50 0 HFAARN C=C1C(NC2CCN(C(=O)OCC)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465646 568610189 /nfs/dbraw/zinc/61/01/89/568610189.db2.gz BRMXXHHPYRKVDH-UHFFFAOYSA-N 0 0 405.520 2.987 50 0 HFAARN O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccn(-c2c(F)cccc2F)n1 ZINC000095441466 568610782 /nfs/dbraw/zinc/61/07/82/568610782.db2.gz UBQQRVXFGCWJSZ-UHFFFAOYSA-N 0 0 411.364 2.952 50 0 HFAARN COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 ZINC000095452277 568615070 /nfs/dbraw/zinc/61/50/70/568615070.db2.gz COXJFTBLCPXJJM-INIZCTEOSA-N 0 0 424.906 2.739 50 0 HFAARN COCCN1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1=O ZINC000095454096 568616176 /nfs/dbraw/zinc/61/61/76/568616176.db2.gz KGLFWBJHIGBKLV-UHFFFAOYSA-N 0 0 423.391 2.824 50 0 HFAARN O=C([C@@H]1CSCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000095454502 568616337 /nfs/dbraw/zinc/61/63/37/568616337.db2.gz ZXYGXRQYIJQHQB-AWEZNQCLSA-N 0 0 409.360 2.821 50 0 HFAARN O=C(COC[C@@H]1CCCO1)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000095458325 568618930 /nfs/dbraw/zinc/61/89/30/568618930.db2.gz LZTNEKRGVQHNTF-SFHVURJKSA-N 0 0 416.440 2.566 50 0 HFAARN Cc1cccc2c1C(=O)NCCN2C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000095458322 568618944 /nfs/dbraw/zinc/61/89/44/568618944.db2.gz HMCFIOLZQNEESJ-KRWDZBQOSA-N 0 0 409.461 2.763 50 0 HFAARN O=C(c1ccc(O)cc1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000095461808 568621028 /nfs/dbraw/zinc/62/10/28/568621028.db2.gz VGVGZKNEQXXWRD-UHFFFAOYSA-N 0 0 415.298 2.846 50 0 HFAARN Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000095465535 568623462 /nfs/dbraw/zinc/62/34/62/568623462.db2.gz CYZJINXWNCGECJ-GOSISDBHSA-N 0 0 407.474 2.504 50 0 HFAARN C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCC1)c1cc2c(cc1Br)OCCO2 ZINC000095469677 568625940 /nfs/dbraw/zinc/62/59/40/568625940.db2.gz OXSIUVBONFJFPB-MNOVXSKESA-N 0 0 411.296 2.702 50 0 HFAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCOCC1 ZINC000020530076 568626689 /nfs/dbraw/zinc/62/66/89/568626689.db2.gz ICKYXYQMFPXVMQ-UHFFFAOYSA-N 0 0 416.474 2.613 50 0 HFAARN Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1C ZINC000020531450 568627080 /nfs/dbraw/zinc/62/70/80/568627080.db2.gz MMLODCNGPNZGLM-LJQANCHMSA-N 0 0 400.500 2.701 50 0 HFAARN COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC(F)F)c(OC)c2)o1 ZINC000095473767 568628976 /nfs/dbraw/zinc/62/89/76/568628976.db2.gz QCLRDWUQKOWNLF-GFCCVEGCSA-N 0 0 414.357 2.797 50 0 HFAARN COc1ccc(N2CCC(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)nn1 ZINC000095474688 568629294 /nfs/dbraw/zinc/62/92/94/568629294.db2.gz KDJKEBMSYFDQNM-UHFFFAOYSA-N 0 0 415.925 2.704 50 0 HFAARN COc1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)c(OC)c1OC ZINC000095475329 568629796 /nfs/dbraw/zinc/62/97/96/568629796.db2.gz DRQQNOOCZLEQRP-CYBMUJFWSA-N 0 0 403.435 2.677 50 0 HFAARN COc1cc2nc(C)n(CCNC(=O)c3ccc4[nH]ccc4c3)c(=O)c2cc1OC ZINC000095476819 568630795 /nfs/dbraw/zinc/63/07/95/568630795.db2.gz QIBSPWFDBWJKQE-UHFFFAOYSA-N 0 0 406.442 2.633 50 0 HFAARN COc1ccc(C(=O)CNC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)cc1 ZINC000095477407 568630837 /nfs/dbraw/zinc/63/08/37/568630837.db2.gz FRJZALQEPYTKGJ-UHFFFAOYSA-N 0 0 407.470 2.603 50 0 HFAARN COc1ccc(-n2cc(C(=O)NCCc3c[nH]cn3)c3ccccc3c2=O)c(OC)c1 ZINC000095479538 568632630 /nfs/dbraw/zinc/63/26/30/568632630.db2.gz IYONNMUWEBXIJF-UHFFFAOYSA-N 0 0 418.453 2.704 50 0 HFAARN COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(Br)cc3)n2)c1 ZINC000095481627 568633673 /nfs/dbraw/zinc/63/36/73/568633673.db2.gz WJPMOGWABNFOMB-UHFFFAOYSA-N 0 0 424.276 2.986 50 0 HFAARN CC(C)(C)c1cc(NC(=O)CN2CC[S@](=O)CC2(C)C)n(-c2ccccc2)n1 ZINC000225409313 568634885 /nfs/dbraw/zinc/63/48/85/568634885.db2.gz UONMQUSMEIRXKA-NDEPHWFRSA-N 0 0 402.564 2.951 50 0 HFAARN CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc(F)cc2Br)cn1 ZINC000225417685 568636048 /nfs/dbraw/zinc/63/60/48/568636048.db2.gz CELJQDFUAKDOIB-IZHWHUGBSA-N 0 0 414.300 2.750 50 0 HFAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCCN4CCOCC4)c(C)c3cc2c1C ZINC000020612244 568637461 /nfs/dbraw/zinc/63/74/61/568637461.db2.gz BULNGLGPSLZFPE-UHFFFAOYSA-N 0 0 412.486 2.845 50 0 biogenic HFAARN O=C(NCCN1CCOCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020729628 568640619 /nfs/dbraw/zinc/64/06/19/568640619.db2.gz BFVCAWAKIWCXSO-HMMYKYKNSA-N 0 0 409.511 2.834 50 0 HFAARN O=C(NCCCN1CCOCC1)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020730362 568640815 /nfs/dbraw/zinc/64/08/15/568640815.db2.gz VTBYTICBJWSLEJ-PGMHBOJBSA-N 0 0 407.470 2.511 50 0 HFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2cccc(C)c2C)CC1 ZINC000020730295 568641009 /nfs/dbraw/zinc/64/10/09/568641009.db2.gz AREGUONWGWHLCO-UHFFFAOYSA-N 0 0 418.607 2.645 50 0 HFAARN Cc1ccc(C)c(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020757294 568641872 /nfs/dbraw/zinc/64/18/72/568641872.db2.gz DFETYLIKBIBOAP-NRFANRHFSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)SCCO1 ZINC000225501579 568643884 /nfs/dbraw/zinc/64/38/84/568643884.db2.gz LCMATBLFVIWBIU-UHFFFAOYSA-N 0 0 410.561 2.638 50 0 HFAARN NC(=O)COc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1 ZINC000020807520 568643966 /nfs/dbraw/zinc/64/39/66/568643966.db2.gz GEKIFGHWHSMHTC-UHFFFAOYSA-N 0 0 404.220 2.942 50 0 HFAARN CCCOc1c(Br)cc(C(=O)NCCc2nnc3n2CCC3)cc1OC ZINC000225504990 568644244 /nfs/dbraw/zinc/64/42/44/568644244.db2.gz PAZUKFYFKKQEFV-UHFFFAOYSA-N 0 0 423.311 2.757 50 0 HFAARN COCC(=O)N1N=C(c2ccccc2NS(C)(=O)=O)C[C@H]1c1ccc(C)cc1 ZINC000225515239 568645838 /nfs/dbraw/zinc/64/58/38/568645838.db2.gz VPMSTZHOENSLII-IBGZPJMESA-N 0 0 401.488 2.691 50 0 HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[C@H](OCc2ccncc2)C1 ZINC000225518906 568646144 /nfs/dbraw/zinc/64/61/44/568646144.db2.gz BTLTWPXPGIDNCO-NQIIRXRSSA-N 0 0 424.545 2.721 50 0 HFAARN C[C@H](c1ncc(Br)cn1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000225521452 568646429 /nfs/dbraw/zinc/64/64/29/568646429.db2.gz SSRXCHQKYRQSCZ-GFCCVEGCSA-N 0 0 409.332 2.798 50 0 HFAARN O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000020902089 568650094 /nfs/dbraw/zinc/65/00/94/568650094.db2.gz TWLSVIUPCJBWIR-JOCHJYFZSA-N 0 0 400.482 2.936 50 0 HFAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901352 568650147 /nfs/dbraw/zinc/65/01/47/568650147.db2.gz AIPFAMDUAPHDKL-LLVKDONJSA-N 0 0 407.446 2.798 50 0 HFAARN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)[C@H]1CCCOC1 ZINC000225550919 568650212 /nfs/dbraw/zinc/65/02/12/568650212.db2.gz UDLVKYXYVVLQQL-AWEZNQCLSA-N 0 0 400.313 2.984 50 0 HFAARN COCCNC(=O)c1cc(Cl)c(NC(=O)C2=C(C)OCCS2)cc1OC ZINC000020919902 568650855 /nfs/dbraw/zinc/65/08/55/568650855.db2.gz LWHJDUPBBQXGNP-UHFFFAOYSA-N 0 0 400.884 2.658 50 0 HFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cccc(F)c1 ZINC000020921034 568651031 /nfs/dbraw/zinc/65/10/31/568651031.db2.gz JOFFBHOLWVHBPO-KRWDZBQOSA-N 0 0 423.462 2.694 50 0 HFAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccccc1F ZINC000020921052 568651084 /nfs/dbraw/zinc/65/10/84/568651084.db2.gz FOJNXDVRRZPSHE-MRXNPFEDSA-N 0 0 423.462 2.694 50 0 HFAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000020933156 568651910 /nfs/dbraw/zinc/65/19/10/568651910.db2.gz FWCYBLYUJUNAGX-UHFFFAOYSA-N 0 0 411.414 2.818 50 0 HFAARN CCCCOc1ccc(C(=O)NCC(=O)NCCN(CC)CC(F)(F)F)cc1 ZINC000225578312 568653554 /nfs/dbraw/zinc/65/35/54/568653554.db2.gz DHMCALUHJMSCLJ-UHFFFAOYSA-N 0 0 403.445 2.596 50 0 HFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](CO)c2cccc(Cl)c2F)CC1=O ZINC000225610425 568656764 /nfs/dbraw/zinc/65/67/64/568656764.db2.gz HOQUGNUAMBFEBB-XJKSGUPXSA-N 0 0 420.868 2.999 50 0 HFAARN Cc1nn(CCC(=O)Nc2cccc(C)c2C)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028697 568658886 /nfs/dbraw/zinc/65/88/86/568658886.db2.gz BSTADQBPHRUHSC-UHFFFAOYSA-N 0 0 404.536 2.930 50 0 HFAARN CC(C)C(=O)N[C@@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225637143 568659223 /nfs/dbraw/zinc/65/92/23/568659223.db2.gz IIQJJNATYXUZOF-HXUWFJFHSA-N 0 0 418.582 2.518 50 0 HFAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccco4)C3)ccc21 ZINC000021054075 568661305 /nfs/dbraw/zinc/66/13/05/568661305.db2.gz ZOQGZVSYEQDINB-QGZVFWFLSA-N 0 0 415.515 2.531 50 0 HFAARN COC(=O)c1cn([C@@H]2CCCN(C(=O)CCCOc3ccc(C)c(C)c3)C2)nn1 ZINC000095941061 568661934 /nfs/dbraw/zinc/66/19/34/568661934.db2.gz NOVJCODFRRRXSJ-QGZVFWFLSA-N 0 0 400.479 2.704 50 0 HFAARN Cc1nc2ccccc2n(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000095943752 568662808 /nfs/dbraw/zinc/66/28/08/568662808.db2.gz SSKNJUSPGISJSA-UHFFFAOYSA-N 0 0 411.405 2.702 50 0 HFAARN COCc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)o1 ZINC000095944846 568663127 /nfs/dbraw/zinc/66/31/27/568663127.db2.gz VDEFPMSUIMBRHT-PKAMJGAUSA-N 0 0 403.479 2.590 50 0 HFAARN Cn1c(C(=O)NCc2ccco2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000021097393 568665109 /nfs/dbraw/zinc/66/51/09/568665109.db2.gz ZRWXGYMJAVSCBI-UHFFFAOYSA-N 0 0 401.488 2.876 50 0 HFAARN O=C(C[S@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccccn1 ZINC000021109631 568667910 /nfs/dbraw/zinc/66/79/10/568667910.db2.gz MQWOLJBMKJVYJW-PMERELPUSA-N 0 0 419.510 2.623 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1Br ZINC000095954204 568668514 /nfs/dbraw/zinc/66/85/14/568668514.db2.gz DDQLQTBOXNMGFX-NSHDSACASA-N 0 0 400.298 2.749 50 0 HFAARN COc1c(F)cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc1F ZINC000095954397 568668774 /nfs/dbraw/zinc/66/87/74/568668774.db2.gz FSJDAROYIJTFAP-HOTGVXAUSA-N 0 0 410.417 2.894 50 0 HFAARN CCn1c(=O)c(C(=O)CNc2ccccc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000021133600 568670484 /nfs/dbraw/zinc/67/04/84/568670484.db2.gz ICHQTAZBCPOPIZ-UHFFFAOYSA-N 0 0 412.877 2.609 50 0 HFAARN O=C(NCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)c1ccc(Br)o1 ZINC000095967021 568670834 /nfs/dbraw/zinc/67/08/34/568670834.db2.gz JBKIMRVYYVVUGF-LSDHHAIUSA-N 0 0 421.291 2.887 50 0 HFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCc3ccc(S(N)(=O)=O)cc32)s1 ZINC000095972484 568671765 /nfs/dbraw/zinc/67/17/65/568671765.db2.gz SBNZXLCBIJESNQ-UHFFFAOYSA-N 0 0 414.574 2.835 50 0 HFAARN C[C@@H]1Cc2cc(C(=O)N3CCCC[C@@H]3C(=O)OC(C)(C)C)ccc2N1S(C)(=O)=O ZINC000095976362 568673142 /nfs/dbraw/zinc/67/31/42/568673142.db2.gz PEPVJDNYTJHUDE-RDTXWAMCSA-N 0 0 422.547 2.734 50 0 HFAARN Cc1cc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)n(-c2ccc(C)cc2)n1 ZINC000095977211 568673560 /nfs/dbraw/zinc/67/35/60/568673560.db2.gz RUPJPZULNFULQI-QGZVFWFLSA-N 0 0 414.412 2.556 50 0 HFAARN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000225779139 568674164 /nfs/dbraw/zinc/67/41/64/568674164.db2.gz UAADRBAPWORRNQ-ALOPSCKCSA-N 0 0 401.536 2.515 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(Oc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000021172441 568676669 /nfs/dbraw/zinc/67/66/69/568676669.db2.gz GDSIPLSQLSRHOD-UHFFFAOYSA-N 0 0 421.471 2.665 50 0 HFAARN CCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000095993603 568678331 /nfs/dbraw/zinc/67/83/31/568678331.db2.gz DRNONYNFKYULAI-OAHLLOKOSA-N 0 0 409.533 2.563 50 0 HFAARN CC(C)(C(=O)N1CCC[C@H](c2n[nH]cc2NS(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000095998649 568679944 /nfs/dbraw/zinc/67/99/44/568679944.db2.gz VQZXDKNORFNKDU-ZDUSSCGKSA-N 0 0 408.499 2.604 50 0 HFAARN O=C(c1ccc(N2CCCC2)nc1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000096001073 568681165 /nfs/dbraw/zinc/68/11/65/568681165.db2.gz HTQXOKMAEUGJIY-SFHVURJKSA-N 0 0 405.458 2.946 50 0 HFAARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005328 568682405 /nfs/dbraw/zinc/68/24/05/568682405.db2.gz BKWAZCCZXPUGNC-AWEZNQCLSA-N 0 0 405.442 2.567 50 0 HFAARN CCOC(=O)[C@@H]1[C@@H](CN[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1(C)C ZINC000096009250 568683674 /nfs/dbraw/zinc/68/36/74/568683674.db2.gz NQTKECHZWBRCNF-QYZOEREBSA-N 0 0 401.507 2.952 50 0 HFAARN COc1cccc(C(=O)NCCNC(=O)/C=C\c2cccc(OC)c2OC(F)F)c1 ZINC000096032416 568687053 /nfs/dbraw/zinc/68/70/53/568687053.db2.gz RNIVHHALHLWCOY-KTKRTIGZSA-N 0 0 420.412 2.865 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)NCC(C)C)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021351043 568687814 /nfs/dbraw/zinc/68/78/14/568687814.db2.gz BDLARAJIURTWBO-HXUWFJFHSA-N 0 0 411.506 2.605 50 0 HFAARN COc1ccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(=O)(=O)c2ccccc2)C3)c(C)c1 ZINC000096095726 568688667 /nfs/dbraw/zinc/68/86/67/568688667.db2.gz DYAWQGRYTGRVFG-UIAACRFSSA-N 0 0 415.515 2.977 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)C(F)(F)F)sc3C2)cc1 ZINC000021359101 568689953 /nfs/dbraw/zinc/68/99/53/568689953.db2.gz FXOMLCXWBJSRHF-UHFFFAOYSA-N 0 0 405.423 2.699 50 0 HFAARN COc1ccc(-c2nn(CCCC(=O)Nc3nccs3)c(=O)cc2OC)cc1 ZINC000096100917 568690932 /nfs/dbraw/zinc/69/09/32/568690932.db2.gz FFIYKDNGIXVZHD-UHFFFAOYSA-N 0 0 400.460 2.803 50 0 HFAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O)c1ccccc1 ZINC000000842923 568692080 /nfs/dbraw/zinc/69/20/80/568692080.db2.gz ZGHBFBYTYCVRLP-UHFFFAOYSA-N 0 0 400.390 2.918 50 0 HFAARN COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)OC2(C)C)sc1CCc1ccccc1 ZINC000096115356 568694795 /nfs/dbraw/zinc/69/47/95/568694795.db2.gz MUVXZLJXZMZQNU-ZDUSSCGKSA-N 0 0 402.472 2.995 50 0 biogenic HFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc(NC(C)=O)c1)C=C2 ZINC000096115207 568694965 /nfs/dbraw/zinc/69/49/65/568694965.db2.gz FPQKWZAXDANBFV-UHFFFAOYSA-N 0 0 409.442 2.656 50 0 biogenic HFAARN COC(=O)c1nc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)sc1C ZINC000096115181 568694984 /nfs/dbraw/zinc/69/49/84/568694984.db2.gz BXEVQTQILHNRNA-UHFFFAOYSA-N 0 0 420.443 2.705 50 0 biogenic HFAARN COc1ccc2c(C)c(CCC(=O)NCc3nnc4ccccn43)c(=O)oc2c1C ZINC000096115347 568695019 /nfs/dbraw/zinc/69/50/19/568695019.db2.gz YSYBUQHENWJOQU-UHFFFAOYSA-N 0 0 406.442 2.710 50 0 biogenic HFAARN Cn1nc(CC(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000096117737 568697327 /nfs/dbraw/zinc/69/73/27/568697327.db2.gz JXOZJMXWMIGHAK-UHFFFAOYSA-N 0 0 403.486 2.882 50 0 HFAARN CO[C@](C)(CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)c1ccccc1F ZINC000096123607 568700233 /nfs/dbraw/zinc/70/02/33/568700233.db2.gz KZNWYSXDYQDEHF-OAQYLSRUSA-N 0 0 418.490 2.501 50 0 HFAARN CCOC(=O)c1ccc(CNC(=O)N2CC[C@H](c3nc4ccncc4n3C)C2)cc1 ZINC000096125179 568701280 /nfs/dbraw/zinc/70/12/80/568701280.db2.gz GDEVJAKEZATPFR-KRWDZBQOSA-N 0 0 407.474 2.844 50 0 HFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2O1 ZINC000096125628 568701376 /nfs/dbraw/zinc/70/13/76/568701376.db2.gz DQZZSBADVBDGNP-JLCFBVMHSA-N 0 0 403.475 2.668 50 0 biogenic HFAARN CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1CC ZINC000021473088 568703374 /nfs/dbraw/zinc/70/33/74/568703374.db2.gz HQXXKCOKIKHIKM-WBVHZDCISA-N 0 0 415.490 2.503 50 0 HFAARN COc1ccccc1C(=O)N[C@]1(C(F)(F)F)NC(=O)N([C@@H](C)c2ccccc2)C1=O ZINC000012401898 568704909 /nfs/dbraw/zinc/70/49/09/568704909.db2.gz HIOZOUCJQDOSFH-BUXKBTBVSA-N 0 0 421.375 2.997 50 0 HFAARN COCCCNC(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc(OC)cc1OC ZINC000096211848 568704977 /nfs/dbraw/zinc/70/49/77/568704977.db2.gz VQFQTHXGCWQCFE-VQTJNVASSA-N 0 0 418.534 2.589 50 0 HFAARN COc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4[nH]3)c(=O)oc2c1OC ZINC000096222930 568705706 /nfs/dbraw/zinc/70/57/06/568705706.db2.gz HOOQBISQRXYLMJ-UHFFFAOYSA-N 0 0 407.426 2.854 50 0 biogenic HFAARN COc1ccc(NC(C)=O)cc1NC(=O)CCCc1nnc2ccc(Cl)nn21 ZINC000096223569 568706215 /nfs/dbraw/zinc/70/62/15/568706215.db2.gz IVSSJJXWNRJLNZ-UHFFFAOYSA-N 0 0 402.842 2.706 50 0 HFAARN CC(C)[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000096232069 568707685 /nfs/dbraw/zinc/70/76/85/568707685.db2.gz FMDYFZIGNXYNRH-SFHVURJKSA-N 0 0 405.458 2.848 50 0 HFAARN COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c2[nH]snc-2ccc1=O ZINC000096232003 568707725 /nfs/dbraw/zinc/70/77/25/568707725.db2.gz LMRBOLYROUBKIA-NSHDSACASA-N 0 0 402.428 2.872 50 0 HFAARN O=C(NCc1cccc(Cl)c1)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021526897 568709425 /nfs/dbraw/zinc/70/94/25/568709425.db2.gz MNOGGXUHXCITHM-IBGZPJMESA-N 0 0 411.889 2.603 50 0 HFAARN CC[C@@H](C(=O)NC)n1nc(Br)c(Br)c1Br ZINC000059949722 568709550 /nfs/dbraw/zinc/70/95/50/568709550.db2.gz QOCDBPLNLLXFLK-BYPYZUCNSA-N 0 0 403.900 2.868 50 0 HFAARN COc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2Cl)S1(=O)=O ZINC000021531313 568711099 /nfs/dbraw/zinc/71/10/99/568711099.db2.gz AZDGINSXDJPYHM-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN O=C(CN1CCCN(Cc2ccccc2Cl)S1(=O)=O)Nc1ccc(F)cc1 ZINC000021531317 568711167 /nfs/dbraw/zinc/71/11/67/568711167.db2.gz KYGCYBCBPAZWDW-UHFFFAOYSA-N 0 0 411.886 2.870 50 0 HFAARN Cc1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021532868 568711321 /nfs/dbraw/zinc/71/13/21/568711321.db2.gz FWENLDRIWDFBNA-UHFFFAOYSA-N 0 0 415.925 2.711 50 0 HFAARN Cc1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000021532881 568711365 /nfs/dbraw/zinc/71/13/65/568711365.db2.gz ZSOSUABYYRGYCJ-UHFFFAOYSA-N 0 0 415.925 2.711 50 0 HFAARN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21 ZINC000021537215 568712478 /nfs/dbraw/zinc/71/24/78/568712478.db2.gz ZDOOPPGJMSWKLP-GFCCVEGCSA-N 0 0 401.467 2.717 50 0 HFAARN O=C(CCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCCCc1ccccc1 ZINC000021540410 568713793 /nfs/dbraw/zinc/71/37/93/568713793.db2.gz MKVYNVWNNOBHOF-UHFFFAOYSA-N 0 0 419.460 2.701 50 0 HFAARN Cn1cc(C(=O)NC[C@H]2COc3ccccc3O2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000021556330 568714075 /nfs/dbraw/zinc/71/40/75/568714075.db2.gz FCPWEWRQXJCTML-INIZCTEOSA-N 0 0 421.453 2.818 50 0 HFAARN COc1ccc(OC)c(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000012420288 568720425 /nfs/dbraw/zinc/72/04/25/568720425.db2.gz MPNXBMXKSPLUAD-SFHVURJKSA-N 0 0 404.482 2.543 50 0 HFAARN CCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1OCCC ZINC000096305769 568723317 /nfs/dbraw/zinc/72/33/17/568723317.db2.gz UHXUHMWZLFNERM-UHFFFAOYSA-N 0 0 414.524 2.727 50 0 HFAARN C[C@H](NC(=O)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 ZINC000012440226 568723371 /nfs/dbraw/zinc/72/33/71/568723371.db2.gz NRCDNRGFSWFQPC-HNNXBMFYSA-N 0 0 405.433 2.989 50 0 HFAARN COc1ccc(C(=O)NC2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)cc1OC ZINC000096309394 568723568 /nfs/dbraw/zinc/72/35/68/568723568.db2.gz ZEZXNGQMZNOCGJ-UHFFFAOYSA-N 0 0 407.474 2.888 50 0 HFAARN 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Cc1cccc(-c2nc3nc(C)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1 ZINC000015785045 569005367 /nfs/dbraw/zinc/00/53/67/569005367.db2.gz QMSKPDGQKYLDMI-UHFFFAOYSA-N 0 0 402.458 2.964 50 0 HFAARN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(-c2nnc3n2CCC3)c1 ZINC000012822620 569006659 /nfs/dbraw/zinc/00/66/59/569006659.db2.gz MWLMZWSXGYYRPV-UHFFFAOYSA-N 0 0 411.412 2.928 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccc(F)cc1 ZINC000012848335 569010311 /nfs/dbraw/zinc/01/03/11/569010311.db2.gz CYBLMIWKOVTWDO-LLVKDONJSA-N 0 0 404.385 2.828 50 0 HFAARN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000012853963 569010832 /nfs/dbraw/zinc/01/08/32/569010832.db2.gz MCBFMHVCSHCBEP-SNVBAGLBSA-N 0 0 405.549 2.773 50 0 HFAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1cc(C)ccc1C ZINC000015824122 569011178 /nfs/dbraw/zinc/01/11/78/569011178.db2.gz QIUOMHURTQKIHJ-UHFFFAOYSA-N 0 0 414.491 2.540 50 0 HFAARN COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2ccccc2)cc1=O ZINC000015824564 569011294 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569234333 /nfs/dbraw/zinc/23/43/33/569234333.db2.gz QIJGHUGXFKJHRV-LJQANCHMSA-N 0 0 416.485 2.998 50 0 HFAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1 ZINC000007420633 569237440 /nfs/dbraw/zinc/23/74/40/569237440.db2.gz KUPGLCDPGACURY-UHFFFAOYSA-N 0 0 405.414 2.575 50 0 HFAARN O=C(COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)NC(=O)NCc1ccco1 ZINC000003312472 569238139 /nfs/dbraw/zinc/23/81/39/569238139.db2.gz GEDYLBFWJGUZIB-UHFFFAOYSA-N 0 0 410.304 2.810 50 0 HFAARN Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000007428122 569238597 /nfs/dbraw/zinc/23/85/97/569238597.db2.gz NVHZOWSKNUYHCM-UHFFFAOYSA-N 0 0 417.512 2.965 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000007459489 569239743 /nfs/dbraw/zinc/23/97/43/569239743.db2.gz PLWWTOBLWVAHNT-QGZVFWFLSA-N 0 0 408.502 2.938 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000007473519 569240253 /nfs/dbraw/zinc/24/02/53/569240253.db2.gz WOKZSJYYIMCZFE-INIZCTEOSA-N 0 0 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/nfs/dbraw/zinc/25/21/86/569252186.db2.gz VHGCVQRXGBUVRZ-UHFFFAOYSA-N 0 0 400.910 2.531 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1SC(C)=Nc2c1c(=O)[nH]n2C(C)C ZINC000071288759 569252475 /nfs/dbraw/zinc/25/24/75/569252475.db2.gz GXTGGXSAKABBKO-BBRMVZONSA-N 0 0 423.564 2.816 50 0 HFAARN Cc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1N1CCCC1=O ZINC000010220988 569253358 /nfs/dbraw/zinc/25/33/58/569253358.db2.gz VUKORYHMKRLTST-UHFFFAOYSA-N 0 0 404.470 2.901 50 0 HFAARN Cc1cc(NC(=O)[C@H](C)SC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)no1 ZINC000013572836 569256003 /nfs/dbraw/zinc/25/60/03/569256003.db2.gz GBRPWBCPDTYBNH-MJBXVCDLSA-N 0 0 418.544 2.609 50 0 HFAARN O=C(Cc1cccs1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 ZINC000013658899 569256900 /nfs/dbraw/zinc/25/69/00/569256900.db2.gz XHOBEVJMEYRSMN-UHFFFAOYSA-N 0 0 408.483 2.825 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1F ZINC000013696721 569257225 /nfs/dbraw/zinc/25/72/25/569257225.db2.gz LSOSEESYNFAMEA-IBGZPJMESA-N 0 0 420.462 2.703 50 0 HFAARN CS(=O)(=O)N1CCC(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)CC1 ZINC000014117532 569258632 /nfs/dbraw/zinc/25/86/32/569258632.db2.gz DTPBUOXGUAZWOR-UHFFFAOYSA-N 0 0 422.507 2.812 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000014192989 569258827 /nfs/dbraw/zinc/25/88/27/569258827.db2.gz LRBSNCYDYLJQEZ-UHFFFAOYSA-N 0 0 401.532 2.557 50 0 HFAARN C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000014318910 569259452 /nfs/dbraw/zinc/25/94/52/569259452.db2.gz PYDRKTPKCAYCQG-WMLDXEAASA-N 0 0 400.500 2.859 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc(N3CCCC3=O)cc1)CC2 ZINC000014349539 569259587 /nfs/dbraw/zinc/25/95/87/569259587.db2.gz KXNXKOGTWBWLRC-UHFFFAOYSA-N 0 0 410.470 2.794 50 0 HFAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccs1 ZINC000014417047 569259998 /nfs/dbraw/zinc/25/99/98/569259998.db2.gz NYWKRNTUFZGJER-KRWDZBQOSA-N 0 0 423.560 2.983 50 0 HFAARN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2cc(C)nn2C)cc1 ZINC000089591811 569260987 /nfs/dbraw/zinc/26/09/87/569260987.db2.gz QQKPWVUTAPHMKY-LJQANCHMSA-N 0 0 410.449 2.915 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000089638965 569261589 /nfs/dbraw/zinc/26/15/89/569261589.db2.gz UVFOQBQDTGOYHI-INIZCTEOSA-N 0 0 421.950 2.982 50 0 HFAARN O=C(NCCCNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(O)cc1 ZINC000089781066 569264345 /nfs/dbraw/zinc/26/43/45/569264345.db2.gz BFPQMXSVXAFVOH-UHFFFAOYSA-N 0 0 404.850 2.757 50 0 HFAARN O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)NC1CCCC1 ZINC000016843135 569264760 /nfs/dbraw/zinc/26/47/60/569264760.db2.gz HAMKCVBEQTZESF-UHFFFAOYSA-N 0 0 417.922 2.896 50 0 HFAARN O=S(=O)(c1ccc(N2CCN(Cc3ccccc3)CC2)nn1)C1CCCCC1 ZINC000016843658 569264874 /nfs/dbraw/zinc/26/48/74/569264874.db2.gz FVVZYPZOPOBIAO-UHFFFAOYSA-N 0 0 400.548 2.905 50 0 HFAARN CC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1 ZINC000016851293 569266168 /nfs/dbraw/zinc/26/61/68/569266168.db2.gz KACCDQFWIYSITE-UHFFFAOYSA-N 0 0 410.455 2.858 50 0 HFAARN O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000089826136 569266611 /nfs/dbraw/zinc/26/66/11/569266611.db2.gz SURPKYNSEXSISY-GJZGRUSLSA-N 0 0 400.422 2.793 50 0 HFAARN COCCn1c(SCC(=O)NCc2ccccc2)nc2c3ccccc3[nH]c2c1=O ZINC000016942798 569267933 /nfs/dbraw/zinc/26/79/33/569267933.db2.gz ZMJGSKPDNLZKFY-UHFFFAOYSA-N 0 0 422.510 2.933 50 0 HFAARN C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)N1CCN(c2ccccc2)CC1 ZINC000089901311 569268197 /nfs/dbraw/zinc/26/81/97/569268197.db2.gz VFHICFLPLGKPHE-MRXNPFEDSA-N 0 0 409.502 2.595 50 0 HFAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCc4ccccc4)C3=O)ccc2c1 ZINC000089914322 569268536 /nfs/dbraw/zinc/26/85/36/569268536.db2.gz WMTYEUVXPZMALW-XMMPIXPASA-N 0 0 417.465 2.932 50 0 HFAARN C[C@H]1Oc2ccccc2N(CCn2nc(Br)nc2Br)C1=O ZINC000089919850 569268712 /nfs/dbraw/zinc/26/87/12/569268712.db2.gz KLXIEDQOGHQQKN-MRVPVSSYSA-N 0 0 416.073 2.617 50 0 HFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(N3CCn4ccnc4C3)CC2)cc1 ZINC000089921941 569268782 /nfs/dbraw/zinc/26/87/82/569268782.db2.gz YLCBFOSDRMFWQK-OXQOHEQNSA-N 0 0 407.518 2.598 50 0 HFAARN Cc1cc(C)cc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000017010736 569271301 /nfs/dbraw/zinc/27/13/01/569271301.db2.gz DBVBYLSZLWJLPG-UHFFFAOYSA-N 0 0 414.465 2.862 50 0 HFAARN Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000017041893 569272417 /nfs/dbraw/zinc/27/24/17/569272417.db2.gz BJHQGQUUALVDQU-UHFFFAOYSA-N 0 0 414.465 2.862 50 0 HFAARN O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000017178480 569276332 /nfs/dbraw/zinc/27/63/32/569276332.db2.gz LPBRYJGRDRLQDO-HXUWFJFHSA-N 0 0 415.921 2.536 50 0 HFAARN CCOC(=O)C1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)CC1 ZINC000000991168 569276990 /nfs/dbraw/zinc/27/69/90/569276990.db2.gz FOYGQSZNXSFQSC-UHFFFAOYSA-N 0 0 422.528 2.964 50 0 HFAARN COCCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000002072054 569277540 /nfs/dbraw/zinc/27/75/40/569277540.db2.gz YNYOSAMUFLGRBV-UHFFFAOYSA-N 0 0 404.532 2.960 50 0 HFAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 ZINC000006355373 569279885 /nfs/dbraw/zinc/27/98/85/569279885.db2.gz MCSLWWZDFNAFGT-LDADJPATSA-N 0 0 409.467 2.782 50 0 HFAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)C1 ZINC000006743908 569280162 /nfs/dbraw/zinc/28/01/62/569280162.db2.gz PCDQGZQYZZZKAK-HNNXBMFYSA-N 0 0 408.549 2.986 50 0 HFAARN O=C1CN(CCCO)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N12 ZINC000002096653 569281050 /nfs/dbraw/zinc/28/10/50/569281050.db2.gz TZDMMLBSBDPAFK-DENIHFKCSA-N 0 0 423.900 2.889 50 0 biogenic HFAARN CCC(=O)NCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000002103914 569281817 /nfs/dbraw/zinc/28/18/17/569281817.db2.gz KVCGFMLKJSRZBU-UHFFFAOYSA-N 0 0 414.506 2.592 50 0 biogenic HFAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)CC(=O)N32)cc1OC ZINC000002113754 569284260 /nfs/dbraw/zinc/28/42/60/569284260.db2.gz QTUWSKMSFWZRMM-MBSDFSHPSA-N 0 0 419.481 2.890 50 0 biogenic HFAARN CC[C@]1(C)NC(=O)N(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000252444162 569285973 /nfs/dbraw/zinc/28/59/73/569285973.db2.gz HDOISSPFFFPQIN-XOBRGWDASA-N 0 0 415.519 2.575 50 0 HFAARN O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)c[nH]2)CC1 ZINC000252480223 569288933 /nfs/dbraw/zinc/28/89/33/569288933.db2.gz BYLCAYPPJAQNQX-UHFFFAOYSA-N 0 0 421.476 2.952 50 0 HFAARN CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nnc2ccccn21 ZINC000252484443 569289154 /nfs/dbraw/zinc/28/91/54/569289154.db2.gz FWJGTQIZORNHFP-LJQANCHMSA-N 0 0 416.485 2.857 50 0 HFAARN COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn43)C2)c(OC)c1OC ZINC000208035957 569289907 /nfs/dbraw/zinc/28/99/07/569289907.db2.gz NATBIUMJXRYDAH-UHFFFAOYSA-N 0 0 410.474 2.581 50 0 HFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000252491270 569290413 /nfs/dbraw/zinc/29/04/13/569290413.db2.gz LKFSLSKWBMQWRQ-INIZCTEOSA-N 0 0 412.467 2.848 50 0 HFAARN CC(C)C[C@@H](NC(=O)CCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000252508960 569291493 /nfs/dbraw/zinc/29/14/93/569291493.db2.gz 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O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(N2CCCC2=O)cc1 ZINC000007641019 569298309 /nfs/dbraw/zinc/29/83/09/569298309.db2.gz OGFUGFKZJDWWJG-UHFFFAOYSA-N 0 0 413.437 2.592 50 0 HFAARN C[C@H]1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)c2ccccc2S1 ZINC000007676033 569300169 /nfs/dbraw/zinc/30/01/69/569300169.db2.gz IEMPGHASMJHWHJ-ZDUSSCGKSA-N 0 0 409.467 2.997 50 0 HFAARN CC(C)CN(C(=O)CCc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000007687808 569300743 /nfs/dbraw/zinc/30/07/43/569300743.db2.gz CPBGYXORBLHSHZ-UHFFFAOYSA-N 0 0 420.513 2.789 50 0 HFAARN Cc1cc(C)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NC2CC2)C(=O)CO3)c(C)c1 ZINC000037512438 569302488 /nfs/dbraw/zinc/30/24/88/569302488.db2.gz VQIZXNYAOWKNEV-UHFFFAOYSA-N 0 0 422.481 2.878 50 0 HFAARN CCN(C)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000037524963 569303995 /nfs/dbraw/zinc/30/39/95/569303995.db2.gz ZWBWFXHVNUBDEQ-UHFFFAOYSA-N 0 0 401.532 2.726 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C(C)=O)cc1 ZINC000007734999 569304665 /nfs/dbraw/zinc/30/46/65/569304665.db2.gz QOJWXNMUVIRMCC-IBGZPJMESA-N 0 0 402.472 2.690 50 0 HFAARN O=C(OCCOc1ccccc1F)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007739403 569305403 /nfs/dbraw/zinc/30/54/03/569305403.db2.gz WJMFSSTZSRYEDI-UHFFFAOYSA-N 0 0 413.492 2.910 50 0 HFAARN O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007772145 569308488 /nfs/dbraw/zinc/30/84/88/569308488.db2.gz LJRMZXLQSVFQBU-NSHDSACASA-N 0 0 410.211 2.871 50 0 HFAARN CCCCN1C(=O)C[C@@H](C(=O)NCc2nnc3ccccn32)[C@H]1c1ccc(OC)cc1 ZINC000007779259 569309133 /nfs/dbraw/zinc/30/91/33/569309133.db2.gz UJULIAZZFGLVOW-XMSQKQJNSA-N 0 0 421.501 2.744 50 0 HFAARN Cc1cc(C)cc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc3c2=O)c1 ZINC000007793427 569310956 /nfs/dbraw/zinc/31/09/56/569310956.db2.gz DEJPPJWHSZIYKL-UHFFFAOYSA-N 0 0 408.483 2.646 50 0 HFAARN CNC(=O)NC(=O)[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 ZINC000007799163 569311185 /nfs/dbraw/zinc/31/11/85/569311185.db2.gz OSBAAESGLMQKJQ-MRXNPFEDSA-N 0 0 408.487 2.964 50 0 HFAARN Cn1cc(-c2ccnc(NC(=O)c3ccc(I)cc3)n2)cn1 ZINC000241720765 569311289 /nfs/dbraw/zinc/31/12/89/569311289.db2.gz QRZVTAQRUXJARB-UHFFFAOYSA-N 0 0 405.199 2.734 50 0 HFAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)n1C(C)C ZINC000007805453 569311784 /nfs/dbraw/zinc/31/17/84/569311784.db2.gz ZYUQFJIPOWEXRU-UHFFFAOYSA-N 0 0 407.511 2.972 50 0 HFAARN CCCn1c2nc(CC(C)C)nc(SC[C@H]3CCCCO3)c2c(=O)n(C)c1=O ZINC000007814693 569312556 /nfs/dbraw/zinc/31/25/56/569312556.db2.gz MZSDLMVQVIVYAL-CQSZACIVSA-N 0 0 406.552 2.760 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1c2ccccc2OCCC1=O ZINC000007824715 569313011 /nfs/dbraw/zinc/31/30/11/569313011.db2.gz RCQNJEUOHHATJT-UHFFFAOYSA-N 0 0 418.497 2.980 50 0 HFAARN CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 ZINC000002222194 569313172 /nfs/dbraw/zinc/31/31/72/569313172.db2.gz OLZRPHJNCWOXLH-WHJJEVRWSA-N 0 0 406.276 2.855 50 0 HFAARN COc1ccc(C(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)cc1Cl ZINC000007845789 569314279 /nfs/dbraw/zinc/31/42/79/569314279.db2.gz FEBDNIWHOKGZAV-UHFFFAOYSA-N 0 0 410.927 2.989 50 0 HFAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)s1)C1CC1 ZINC000007853293 569314650 /nfs/dbraw/zinc/31/46/50/569314650.db2.gz IFQPZFKIADPYJO-LLVKDONJSA-N 0 0 408.553 2.913 50 0 HFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCC1 ZINC000007881105 569315132 /nfs/dbraw/zinc/31/51/32/569315132.db2.gz SRPFWLFLYLOTPG-UHFFFAOYSA-N 0 0 402.472 2.803 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@H]1c1cccs1 ZINC000252671044 569319337 /nfs/dbraw/zinc/31/93/37/569319337.db2.gz MMWGRJPPAOVCSO-KRWDZBQOSA-N 0 0 414.508 2.761 50 0 HFAARN CCOc1ccc(-c2nc3sc(=Cc4cccc(OC)c4OC)c(=O)n3n2)cc1 ZINC000252671585 569319420 /nfs/dbraw/zinc/31/94/20/569319420.db2.gz NQLOXILOCPJYRF-UHFFFAOYSA-N 0 0 409.467 2.782 50 0 HFAARN COCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002254063 569326135 /nfs/dbraw/zinc/32/61/35/569326135.db2.gz WOEVPGRQXCNAJS-UHFFFAOYSA-N 0 0 400.435 2.785 50 0 HFAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cnoc3)s2)CC1 ZINC000001046510 569356623 /nfs/dbraw/zinc/35/66/23/569356623.db2.gz AUHVFQMUYKDKSL-UHFFFAOYSA-N 0 0 405.501 2.923 50 0 HFAARN COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)ccc1O ZINC000015956882 569357182 /nfs/dbraw/zinc/35/71/82/569357182.db2.gz USKDJLYEQAFBEQ-YFXJRYMSSA-N 0 0 414.502 2.978 50 0 biogenic HFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1F)C(=O)OC ZINC000043735315 569358218 /nfs/dbraw/zinc/35/82/18/569358218.db2.gz ODNIKYXMQGDJFM-SDDDUWNISA-N 0 0 406.433 2.933 50 0 HFAARN COCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002287768 569364573 /nfs/dbraw/zinc/36/45/73/569364573.db2.gz HTLVJIBFPWKJQF-UHFFFAOYSA-N 0 0 405.458 2.931 50 0 HFAARN Cc1ccc(N2CCC[C@@H]2COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)nn1 ZINC000253369394 569364726 /nfs/dbraw/zinc/36/47/26/569364726.db2.gz CAYNIFCFMLWSCT-WTGUMLROSA-N 0 0 422.533 2.925 50 0 HFAARN O=C(N[C@H](CO)c1ccccc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388514 569364969 /nfs/dbraw/zinc/36/49/69/569364969.db2.gz XBVGEZBMGSZTNZ-YFVAEKQCSA-N 0 0 416.543 2.621 50 0 HFAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000253398881 569365584 /nfs/dbraw/zinc/36/55/84/569365584.db2.gz HUARDNWHNPNDEM-LJQANCHMSA-N 0 0 404.488 2.617 50 0 HFAARN COc1ccccc1CCNC(=O)CCN1C=Cc2cc(OC)c(OC)cc2CC1=O ZINC000253407383 569366133 /nfs/dbraw/zinc/36/61/33/569366133.db2.gz JVFLYFAEEHMEHU-UHFFFAOYSA-N 0 0 424.497 2.817 50 0 biogenic HFAARN COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1 ZINC000253407176 569366158 /nfs/dbraw/zinc/36/61/58/569366158.db2.gz VRBQQDUVORPDKM-SFHVURJKSA-N 0 0 410.561 2.540 50 0 HFAARN COc1ccc(C(=O)Nn2c(-c3ccncc3)nc3ccccc3c2=O)cc1OC ZINC000027532156 569367326 /nfs/dbraw/zinc/36/73/26/569367326.db2.gz GIRQVUFDPRVEQA-UHFFFAOYSA-N 0 0 402.410 2.860 50 0 HFAARN COC(=O)c1ccc2c(c1)nc(SCc1cn[nH]n1)n(CCc1ccccc1)c2=O ZINC000253425605 569368158 /nfs/dbraw/zinc/36/81/58/569368158.db2.gz FTYYDTBAWAKKCB-UHFFFAOYSA-N 0 0 421.482 2.836 50 0 HFAARN O=C(Nc1cc(NC(=O)[C@H]2CCCOC2)nc(-c2ccccc2)n1)[C@@H]1CCCOC1 ZINC000253426911 569368313 /nfs/dbraw/zinc/36/83/13/569368313.db2.gz JDBKXBCQENLQQN-CALCHBBNSA-N 0 0 410.474 2.874 50 0 HFAARN O=C(Nc1cc(F)cc(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 ZINC000253427687 569368452 /nfs/dbraw/zinc/36/84/52/569368452.db2.gz NVVLRIRERAOLOJ-HNNXBMFYSA-N 0 0 416.833 2.646 50 0 HFAARN CCCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21 ZINC000002297053 569369554 /nfs/dbraw/zinc/36/95/54/569369554.db2.gz WZYFUROSSURMGZ-UHFFFAOYSA-N 0 0 424.549 2.809 50 0 HFAARN COc1cc(OC)cc(C(=O)C[C@]2(O)C(=O)Nc3cc(Br)ccc32)c1 ZINC000253432840 569369954 /nfs/dbraw/zinc/36/99/54/569369954.db2.gz ORIZPDVYMKQRNT-GOSISDBHSA-N 0 0 406.232 2.879 50 0 HFAARN COc1cccc(SCC(=O)Nc2c(N(C)C)cccc2S(=O)(=O)N(C)C)c1 ZINC000253433538 569370484 /nfs/dbraw/zinc/37/04/84/569370484.db2.gz YBIGICTWRVWXMJ-UHFFFAOYSA-N 0 0 423.560 2.742 50 0 HFAARN COCCNC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000002301200 569372223 /nfs/dbraw/zinc/37/22/23/569372223.db2.gz HZLUQICYNZZEKL-MRXNPFEDSA-N 0 0 416.499 2.782 50 0 HFAARN COCCNC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002304702 569372326 /nfs/dbraw/zinc/37/23/26/569372326.db2.gz KCMVZXXNQQPJQH-UHFFFAOYSA-N 0 0 419.485 2.794 50 0 HFAARN COc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)cc(OC)c1 ZINC000002349031 569380598 /nfs/dbraw/zinc/38/05/98/569380598.db2.gz JGFQOUCKYOWYHQ-UHFFFAOYSA-N 0 0 403.439 2.546 50 0 HFAARN CS(=O)(=O)c1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)cc1 ZINC000253473927 569381538 /nfs/dbraw/zinc/38/15/38/569381538.db2.gz ZXFUTRGKPPHKJC-UHFFFAOYSA-N 0 0 410.879 2.949 50 0 HFAARN COc1ccccc1CNC(=O)C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000253535904 569382945 /nfs/dbraw/zinc/38/29/45/569382945.db2.gz VKAHSVXIKJUBDJ-LJQANCHMSA-N 0 0 420.469 2.550 50 0 HFAARN CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](F)[C@H](O)[C@H]3O)ccc2Cl)cc1 ZINC000205922547 569387424 /nfs/dbraw/zinc/38/74/24/569387424.db2.gz VYRXTNZYAGBKPS-ADAARDCZSA-N 0 0 410.869 2.822 50 0 in-vitro HFAARN COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000252499072 569387808 /nfs/dbraw/zinc/38/78/08/569387808.db2.gz RVCQLZOFWYPZMC-NSHDSACASA-N 0 0 415.320 2.873 50 0 HFAARN Cc1ccc(C)n1CCCC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000253623668 569389262 /nfs/dbraw/zinc/38/92/62/569389262.db2.gz FGATXTREAAYTGP-UHFFFAOYSA-N 0 0 407.518 2.878 50 0 HFAARN O=C(C1CCN(c2nccnc2Oc2ccccc2)CC1)N1CCC2(CC1)OCCO2 ZINC000013359564 569389887 /nfs/dbraw/zinc/38/98/87/569389887.db2.gz BABNBSOFWKSXBH-UHFFFAOYSA-N 0 0 424.501 2.851 50 0 HFAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1cccc(Cl)c1 ZINC000002383801 569391731 /nfs/dbraw/zinc/39/17/31/569391731.db2.gz APXMDGJYDRDDBY-UHFFFAOYSA-N 0 0 424.931 2.534 50 0 HFAARN Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)o1 ZINC000009223420 569392021 /nfs/dbraw/zinc/39/20/21/569392021.db2.gz PPDQQFWQYRMCNG-SNAWJCMRSA-N 0 0 420.219 2.715 50 0 HFAARN NC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2)c2oc(CO)cc(=O)c2O1 ZINC000009348709 569392537 /nfs/dbraw/zinc/39/25/37/569392537.db2.gz OGTQELPUTMUATP-GOSISDBHSA-N 0 0 423.396 2.709 50 0 HFAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccc2c(c1)OCO2 ZINC000002415782 569397257 /nfs/dbraw/zinc/39/72/57/569397257.db2.gz GHHWPOURCSLOBK-ZDUSSCGKSA-N 0 0 411.805 2.844 50 0 HFAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000007946253 569402893 /nfs/dbraw/zinc/40/28/93/569402893.db2.gz NLSLJGRXHKLADB-UHFFFAOYSA-N 0 0 412.500 2.728 50 0 HFAARN CCOC(=O)/C=C/c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012819207 569403904 /nfs/dbraw/zinc/40/39/04/569403904.db2.gz LWVLNOURVUZZCB-NTEUORMPSA-N 0 0 416.499 2.831 50 0 HFAARN CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(C)cc2)c1NCCN1CCOCC1 ZINC000012860370 569404182 /nfs/dbraw/zinc/40/41/82/569404182.db2.gz QEURLJMATJXYHZ-UHFFFAOYSA-N 0 0 423.517 2.958 50 0 HFAARN O=C1C2=C(CN1C[C@@H]1CCCO1)NC(=O)N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000012879408 569404488 /nfs/dbraw/zinc/40/44/88/569404488.db2.gz RGVJSIJFNXJOCH-SIKLNZKXSA-N 0 0 419.481 2.895 50 0 HFAARN O=C(CSCc1ccc(Cl)s1)NCCNS(=O)(=O)c1ccccc1 ZINC000012898805 569404792 /nfs/dbraw/zinc/40/47/92/569404792.db2.gz HATQQIZITJWNIL-UHFFFAOYSA-N 0 0 404.966 2.729 50 0 HFAARN Cc1nn(-c2ccc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nn2)c(C)c1C ZINC000013008988 569407113 /nfs/dbraw/zinc/40/71/13/569407113.db2.gz QXIOLHKCCXSQRL-UHFFFAOYSA-N 0 0 412.444 2.828 50 0 HFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000013056309 569408125 /nfs/dbraw/zinc/40/81/25/569408125.db2.gz DJRCTTQIJKTTNE-UHFFFAOYSA-N 0 0 415.559 2.929 50 0 HFAARN O=S(=O)(c1ccc(N2CCN(c3ccccc3Cl)CC2)nc1)N1CCCC1 ZINC000013096829 569408903 /nfs/dbraw/zinc/40/89/03/569408903.db2.gz GGWJSRHHAFEUAC-UHFFFAOYSA-N 0 0 406.939 2.846 50 0 HFAARN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 ZINC000013282203 569410414 /nfs/dbraw/zinc/41/04/14/569410414.db2.gz SCJCCTSIMOGJKY-KBPBESRZSA-N 0 0 415.925 2.618 50 0 biogenic HFAARN CCOc1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007956721 569414104 /nfs/dbraw/zinc/41/41/04/569414104.db2.gz LGKRKAKVHSCYLC-UHFFFAOYSA-N 0 0 403.504 2.920 50 0 HFAARN Cc1ccccc1-n1nc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c2c1CCC2 ZINC000078820696 569420622 /nfs/dbraw/zinc/42/06/22/569420622.db2.gz KLPLSNIDIZKRFP-KRWDZBQOSA-N 0 0 407.495 2.928 50 0 HFAARN Cc1nc(S(=O)(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cn1C ZINC000078967335 569422215 /nfs/dbraw/zinc/42/22/15/569422215.db2.gz JBEGNLXYVTUOGO-UHFFFAOYSA-N 0 0 402.564 2.938 50 0 HFAARN Cc1cc(CNS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)ccc1F ZINC000078967627 569422294 /nfs/dbraw/zinc/42/22/94/569422294.db2.gz MLLOMBYBBBAKQP-UHFFFAOYSA-N 0 0 414.256 2.545 50 0 HFAARN COC(=O)c1ccoc1CN1C[C@@H]2CCCN(Cc3occc3C(=O)OC)[C@@H]2C1 ZINC000078969680 569422474 /nfs/dbraw/zinc/42/24/74/569422474.db2.gz IBHPLTMXHKWDFY-WMLDXEAASA-N 0 0 402.447 2.542 50 0 HFAARN O=C(CS(=O)(=O)CCCc1ccccc1)N1CC(OCCCc2ccccc2)C1 ZINC000079016054 569423889 /nfs/dbraw/zinc/42/38/89/569423889.db2.gz HOYIOTBGNNEAGN-UHFFFAOYSA-N 0 0 415.555 2.894 50 0 HFAARN CC(C)n1cnnc1CCNC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000079021125 569424306 /nfs/dbraw/zinc/42/43/06/569424306.db2.gz ACSRGWBPYCWAOI-IRXDYDNUSA-N 0 0 400.527 2.832 50 0 HFAARN CCN1C(=O)[C@H]2CN(C(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)CCN2C1=O ZINC000079025159 569424711 /nfs/dbraw/zinc/42/47/11/569424711.db2.gz YPTCFLZWAPTYOH-GOSISDBHSA-N 0 0 415.396 2.866 50 0 HFAARN CCC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000079048655 569425359 /nfs/dbraw/zinc/42/53/59/569425359.db2.gz ORAZSNASKSWAIO-KRWDZBQOSA-N 0 0 413.503 2.676 50 0 HFAARN COc1cccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)n1 ZINC000079057011 569425955 /nfs/dbraw/zinc/42/59/55/569425955.db2.gz OQFKNMMORMYLQI-KRWDZBQOSA-N 0 0 417.893 2.716 50 0 HFAARN CCC(=O)N1CCC[C@@H](C(=O)OCCn2nc(C)c3cc(Br)cnc32)C1 ZINC000079059660 569426160 /nfs/dbraw/zinc/42/61/60/569426160.db2.gz KNGDYRDXKJIGET-CYBMUJFWSA-N 0 0 423.311 2.694 50 0 HFAARN Cc1ccc(S(=O)(=O)c2ncccc2CN2CCN(Cc3cccnc3)CC2)cc1 ZINC000079483061 569431819 /nfs/dbraw/zinc/43/18/19/569431819.db2.gz RYHVMJLYNCBQAM-UHFFFAOYSA-N 0 0 422.554 2.936 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC ZINC000004764330 571045220 /nfs/dbraw/zinc/04/52/20/571045220.db2.gz YEQVNYWGTWEHKN-BHYGNILZSA-N 0 0 410.536 2.738 50 0 HFAARN CCCn1c2ccccc2nc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c1=O ZINC000065113157 571047074 /nfs/dbraw/zinc/04/70/74/571047074.db2.gz AOENOQWNIHRWOB-UHFFFAOYSA-N 0 0 406.486 2.778 50 0 HFAARN Cc1c(N(Cc2ccc(C)cc2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000008496108 571061715 /nfs/dbraw/zinc/06/17/15/571061715.db2.gz HGODBTVPORGPKH-UHFFFAOYSA-N 0 0 414.531 2.606 50 0 HFAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCCC2=CCCCC2)c(=O)c1CCO ZINC000067300868 571073893 /nfs/dbraw/zinc/07/38/93/571073893.db2.gz NEKZUQRVPPHTJD-UHFFFAOYSA-N 0 0 413.493 2.899 50 0 HFAARN O=C(CSc1nc2ccccc2o1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000008526548 571074300 /nfs/dbraw/zinc/07/43/00/571074300.db2.gz IIXNLHHCDLWTRL-ZDUSSCGKSA-N 0 0 406.485 2.729 50 0 HFAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 ZINC000038731420 571075595 /nfs/dbraw/zinc/07/55/95/571075595.db2.gz AMCKHTOKKWHMMO-JKSUJKDBSA-N 0 0 408.479 2.943 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(Cl)c2)o1 ZINC000067316589 571075760 /nfs/dbraw/zinc/07/57/60/571075760.db2.gz YRERXGJJVPLISF-UHFFFAOYSA-N 0 0 415.877 2.625 50 0 HFAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)N[C@@H]1CCc2ccccc21 ZINC000067317085 571075857 /nfs/dbraw/zinc/07/58/57/571075857.db2.gz ZHKSFVXSMAAMQV-MRXNPFEDSA-N 0 0 409.515 2.647 50 0 HFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3)c2C)c1 ZINC000067323568 571079090 /nfs/dbraw/zinc/07/90/90/571079090.db2.gz SFLAYAVUVNDKAE-UHFFFAOYSA-N 0 0 409.446 2.803 50 0 HFAARN COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000008560487 571081217 /nfs/dbraw/zinc/08/12/17/571081217.db2.gz JQNOKYZUAXOJRO-UHFFFAOYSA-N 0 0 402.516 2.842 50 0 HFAARN COCCn1c2c(cccc2F)s/c1=N/C(=O)Cn1c(=O)oc2ccccc21 ZINC000038830429 571085380 /nfs/dbraw/zinc/08/53/80/571085380.db2.gz UCQGGZDQMKZIMC-DYTRJAOYSA-N 0 0 401.419 2.524 50 0 HFAARN Cc1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038848801 571086737 /nfs/dbraw/zinc/08/67/37/571086737.db2.gz YTWMIMPDOSTEGT-SFHVURJKSA-N 0 0 408.907 2.882 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1Cl ZINC000038850254 571088507 /nfs/dbraw/zinc/08/85/07/571088507.db2.gz BNFSTGBDKPZXHS-KRWDZBQOSA-N 0 0 410.879 2.823 50 0 HFAARN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 ZINC000038860495 571090601 /nfs/dbraw/zinc/09/06/01/571090601.db2.gz KIQPZSMJQUCGLP-OAHLLOKOSA-N 0 0 400.378 2.871 50 0 HFAARN CC(C)C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000008607312 571092699 /nfs/dbraw/zinc/09/26/99/571092699.db2.gz QFUNTUHHPWYAPA-UHFFFAOYSA-N 0 0 412.471 2.980 50 0 HFAARN CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCS(=O)(=O)c2ccccc2)cc1 ZINC000008638702 571097454 /nfs/dbraw/zinc/09/74/54/571097454.db2.gz ASASHRXCJVYIFH-AWEZNQCLSA-N 0 0 403.456 2.623 50 0 HFAARN Cc1cn2c3c(nc2n1Cc1ccccc1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000008656850 571098824 /nfs/dbraw/zinc/09/88/24/571098824.db2.gz LZELUWUSKUWUPJ-UHFFFAOYSA-N 0 0 417.444 2.694 50 0 HFAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)c(C(N)=O)c(C)c1C ZINC000008704003 571102915 /nfs/dbraw/zinc/10/29/15/571102915.db2.gz JQSAZDBWDHWXKF-UHFFFAOYSA-N 0 0 401.488 2.998 50 0 HFAARN CCOC(=O)C1=C(CSc2nccn2-c2ccc(OC)cc2)NC(=O)N[C@H]1CC ZINC000008707225 571103823 /nfs/dbraw/zinc/10/38/23/571103823.db2.gz KFMUCKWNYDLIAP-HNNXBMFYSA-N 0 0 416.503 2.882 50 0 HFAARN CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2nnc(CC)s2)cc1 ZINC000008753707 571112792 /nfs/dbraw/zinc/11/27/92/571112792.db2.gz BBFAXMXEDWYTJI-SNVBAGLBSA-N 0 0 405.509 2.594 50 0 HFAARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1c[nH]c2ccccc12 ZINC000008764782 571115089 /nfs/dbraw/zinc/11/50/89/571115089.db2.gz WUHLHUWDQQNTDQ-NRFANRHFSA-N 0 0 418.497 2.770 50 0 biogenic HFAARN COc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)c(OC)c1 ZINC000008768889 571116382 /nfs/dbraw/zinc/11/63/82/571116382.db2.gz ZYCIVLDXCGZLAH-UHFFFAOYSA-N 0 0 421.519 2.770 50 0 HFAARN COc1ccc(CCNC(=O)CSCC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000008770363 571116883 /nfs/dbraw/zinc/11/68/83/571116883.db2.gz YEIBDMFHHIGBEA-UHFFFAOYSA-N 0 0 418.515 2.743 50 0 HFAARN C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000039224934 571121588 /nfs/dbraw/zinc/12/15/88/571121588.db2.gz WJYJVQRYQCKHKZ-CQSZACIVSA-N 0 0 423.425 2.511 50 0 HFAARN O=c1c(=O)n(Cc2ccc(C(F)(F)F)cc2)nc2n1CCN2c1ccc(F)cc1 ZINC000008848988 571126310 /nfs/dbraw/zinc/12/63/10/571126310.db2.gz IUWZFZWFMXOHET-UHFFFAOYSA-N 0 0 406.339 2.763 50 0 HFAARN O=C(CSc1nc(CC(=O)NC[C@@H]2CCCO2)cs1)Nc1ccc(F)cc1 ZINC000008851855 571127224 /nfs/dbraw/zinc/12/72/24/571127224.db2.gz ADPJCQUEUGOPPE-HNNXBMFYSA-N 0 0 409.508 2.851 50 0 HFAARN COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008880336 571131488 /nfs/dbraw/zinc/13/14/88/571131488.db2.gz HTRNLJXVFSDSEH-RDTXWAMCSA-N 0 0 420.556 2.967 50 0 HFAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)COc1ccc2c(c1)CCC2 ZINC000039501915 571132381 /nfs/dbraw/zinc/13/23/81/571132381.db2.gz KPNUIUNLCYYWRV-QGZVFWFLSA-N 0 0 424.497 2.858 50 0 HFAARN Cc1ccc(S(=O)(=O)NCC(=O)OCc2ncc(-c3ccccc3)o2)cc1C ZINC000039501805 571132517 /nfs/dbraw/zinc/13/25/17/571132517.db2.gz QQGMZCWOUXIMKJ-UHFFFAOYSA-N 0 0 400.456 2.980 50 0 HFAARN CCNc1nnc(SCC2=C(C(=O)OCC)[C@H](c3ccc(C)o3)NC(=O)N2)s1 ZINC000040058054 571146061 /nfs/dbraw/zinc/14/60/61/571146061.db2.gz ZAUQPCVZCXWHTN-ZDUSSCGKSA-N 0 0 423.520 2.835 50 0 HFAARN Cc1nn(C)c2ncc(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)cc12 ZINC000040062220 571147490 /nfs/dbraw/zinc/14/74/90/571147490.db2.gz CBFUCDRHFVJTHC-UHFFFAOYSA-N 0 0 405.502 2.539 50 0 HFAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cn(-c2ccccc2Br)nn1 ZINC000040073723 571153944 /nfs/dbraw/zinc/15/39/44/571153944.db2.gz QQKONGPRCIJLTQ-UHFFFAOYSA-N 0 0 414.219 2.613 50 0 HFAARN CNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000040073938 571154113 /nfs/dbraw/zinc/15/41/13/571154113.db2.gz PVUMBIUJWPYYHA-MRXNPFEDSA-N 0 0 412.317 2.583 50 0 HFAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000040074167 571154322 /nfs/dbraw/zinc/15/43/22/571154322.db2.gz UPVRDRJUKRCTCP-UHFFFAOYSA-N 0 0 403.320 2.869 50 0 HFAARN CN1C(=O)c2ccc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2C1=O ZINC000040081851 571156310 /nfs/dbraw/zinc/15/63/10/571156310.db2.gz XFPOSAAMPAADSC-FQEVSTJZSA-N 0 0 414.465 2.965 50 0 HFAARN O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(-n2cc(Br)cn2)cc1 ZINC000040086703 571157076 /nfs/dbraw/zinc/15/70/76/571157076.db2.gz IGDIBCORNPFDFX-UHFFFAOYSA-N 0 0 410.235 2.863 50 0 HFAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000040089927 571160550 /nfs/dbraw/zinc/16/05/50/571160550.db2.gz YFZNUWKVXSWUGM-IEBWSBKVSA-N 0 0 410.522 2.715 50 0 HFAARN CN(C1CCCCC1)S(=O)(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000040091324 571161203 /nfs/dbraw/zinc/16/12/03/571161203.db2.gz CXHUOEYTWOBUJO-IBGZPJMESA-N 0 0 415.987 2.812 50 0 HFAARN COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(N4CCOC4=O)cc3)CC2)c1 ZINC000040094116 571161713 /nfs/dbraw/zinc/16/17/13/571161713.db2.gz FRYKXYYGYFGGFS-UHFFFAOYSA-N 0 0 423.469 2.686 50 0 HFAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000040104171 571164907 /nfs/dbraw/zinc/16/49/07/571164907.db2.gz YSLPMDVHHOPGGT-JTQLQIEISA-N 0 0 413.402 2.880 50 0 HFAARN NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000040104953 571165641 /nfs/dbraw/zinc/16/56/41/571165641.db2.gz AQZIPZZVVNWWLV-UHFFFAOYSA-N 0 0 400.460 2.717 50 0 HFAARN O=C(CNc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(N2CCCC2)cc1 ZINC000040105316 571165949 /nfs/dbraw/zinc/16/59/49/571165949.db2.gz SPAZEEJHWDMCKQ-UHFFFAOYSA-N 0 0 403.486 2.994 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1OC ZINC000008942821 571168711 /nfs/dbraw/zinc/16/87/11/571168711.db2.gz AYRAIPMYOKFVAS-UHFFFAOYSA-N 0 0 418.247 2.815 50 0 HFAARN C[C@]1(c2cccc(NC(=O)c3cc(Br)ccc3F)c2)NC(=O)NC1=O ZINC000040111005 571169320 /nfs/dbraw/zinc/16/93/20/571169320.db2.gz GQZCYWBPBDXMCX-QGZVFWFLSA-N 0 0 406.211 2.895 50 0 HFAARN CCCn1c(N)c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(=O)[nH]c1=O ZINC000008943796 571169516 /nfs/dbraw/zinc/16/95/16/571169516.db2.gz XJOUIPBBPGNWFA-UHFFFAOYSA-N 0 0 411.487 2.668 50 0 HFAARN C[C@H](Sc1nnc(COc2ccccc2F)n1N)c1nc2ccccc2c(=O)[nH]1 ZINC000008945745 571171767 /nfs/dbraw/zinc/17/17/67/571171767.db2.gz HFYNPYLFQCLEFS-NSHDSACASA-N 0 0 412.450 2.800 50 0 HFAARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O ZINC000040116842 571174158 /nfs/dbraw/zinc/17/41/58/571174158.db2.gz AVCYONPXIXLZLJ-HXUWFJFHSA-N 0 0 419.403 2.831 50 0 HFAARN CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000040120958 571176900 /nfs/dbraw/zinc/17/69/00/571176900.db2.gz QKHWSNROEMMUBG-MRXNPFEDSA-N 0 0 420.435 2.831 50 0 HFAARN Cc1cc(C)n(C[C@H](C)CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000040121542 571177508 /nfs/dbraw/zinc/17/75/08/571177508.db2.gz VBXPVVSOLPAUQF-CQSZACIVSA-N 0 0 424.592 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ZINC000020154922 523230452 /nfs/dbraw/zinc/23/04/52/523230452.db2.gz RTAMFLHFHUGYSB-UHFFFAOYSA-N 0 0 404.517 2.601 50 0 HFAARN COCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)s1 ZINC000031816074 523251989 /nfs/dbraw/zinc/25/19/89/523251989.db2.gz SPPMHOKIEOKWAE-VIFPVBQESA-N 0 0 400.382 2.695 50 0 HFAARN COC(=O)C[C@@H](NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(C)cc1 ZINC000040009925 523273805 /nfs/dbraw/zinc/27/38/05/523273805.db2.gz GTOSJVAFEGDASV-GOEBONIOSA-N 0 0 419.503 2.772 50 0 HFAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1 ZINC000032904592 523290639 /nfs/dbraw/zinc/29/06/39/523290639.db2.gz RYDJBQVCOQJGMX-UHFFFAOYSA-N 0 0 414.412 2.981 50 0 HFAARN COCCCN1C(=O)c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2C1=O ZINC000032092975 523291784 /nfs/dbraw/zinc/29/17/84/523291784.db2.gz YFJRDUUETHUMPA-FQEVSTJZSA-N 0 0 408.454 2.533 50 0 HFAARN CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Cl)s1 ZINC000225703479 523533101 /nfs/dbraw/zinc/53/31/01/523533101.db2.gz GPLRBLDLDOLWJS-ZDUSSCGKSA-N 0 0 402.925 2.769 50 0 HFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCN1Cc2ccccc2C1=O ZINC000032091671 523594376 /nfs/dbraw/zinc/59/43/76/523594376.db2.gz OERSODAOBBMWIX-OAQYLSRUSA-N 0 0 419.481 2.804 50 0 HFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000020274008 523594707 /nfs/dbraw/zinc/59/47/07/523594707.db2.gz FDXOYUWJZCFWQX-UZLBHIALSA-N 0 0 410.426 2.728 50 0 biogenic HFAARN COc1ccc(C(=O)N2NC(=O)C(=O)C(c3ccccc3)[C@]2(O)c2ccccc2)cc1 ZINC000001410078 523675335 /nfs/dbraw/zinc/67/53/35/523675335.db2.gz BDBSMYXJQJNNOT-XMMPIXPASA-N 0 0 416.433 2.997 50 0 HFAARN COc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)cc1OC ZINC000032501882 523764117 /nfs/dbraw/zinc/76/41/17/523764117.db2.gz WQSGDMRWPXTPIU-UHFFFAOYSA-N 0 0 410.474 2.638 50 0 HFAARN COc1ccc(C(=O)OCc2cc(C)no2)cc1S(=O)(=O)N1CCCCCC1 ZINC000032176610 523771741 /nfs/dbraw/zinc/77/17/41/523771741.db2.gz LJPLYSQMQXQRGD-UHFFFAOYSA-N 0 0 408.476 2.913 50 0 HFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000032124487 523909025 /nfs/dbraw/zinc/90/90/25/523909025.db2.gz VOHDYHGAMIMRFR-YWZLYKJASA-N 0 0 423.444 2.560 50 0 biogenic HFAARN CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@@H]1O ZINC000072139236 523946350 /nfs/dbraw/zinc/94/63/50/523946350.db2.gz HPLWRCQIMODPPC-PMACEKPBSA-N 0 0 402.516 2.887 50 0 HFAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000019997464 524022696 /nfs/dbraw/zinc/02/26/96/524022696.db2.gz BXJBYVZZGKPART-GHMZBOCLSA-N 0 0 424.295 2.765 50 0 HFAARN C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000041781344 524093696 /nfs/dbraw/zinc/09/36/96/524093696.db2.gz ZPVDYPMDEFMOOZ-UKRRQHHQSA-N 0 0 400.928 2.812 50 0 HFAARN Cc1ccc(C)c(Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)c1 ZINC000020357142 524112312 /nfs/dbraw/zinc/11/23/12/524112312.db2.gz LXSZHQQMCZFUSC-UHFFFAOYSA-N 0 0 420.513 2.695 50 0 HFAARN Cc1ccc(C)c(NC(=O)CN2CCN(Cc3ccccc3Cl)S2(=O)=O)c1 ZINC000020565316 524133694 /nfs/dbraw/zinc/13/36/94/524133694.db2.gz NPVUUBBTHMXHSB-UHFFFAOYSA-N 0 0 407.923 2.958 50 0 HFAARN Cc1cc(C(=O)O[C@@H](C)c2nnc(-c3cccs3)o2)cc(S(N)(=O)=O)c1C ZINC000045425981 524196289 /nfs/dbraw/zinc/19/62/89/524196289.db2.gz QYWBODLRSUXZNY-NSHDSACASA-N 0 0 407.473 2.980 50 0 HFAARN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000072303168 524322893 /nfs/dbraw/zinc/32/28/93/524322893.db2.gz USORWSULISMIAY-OAQYLSRUSA-N 0 0 405.498 2.955 50 0 HFAARN C[C@H]1CN(C(=O)C2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)C[C@H](C)O1 ZINC000032926848 524460519 /nfs/dbraw/zinc/46/05/19/524460519.db2.gz ZGHFKNPPGHANJO-HOTGVXAUSA-N 0 0 415.563 2.913 50 0 HFAARN C[C@H](CNC(=O)c1ccc(I)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000032828398 524461496 /nfs/dbraw/zinc/46/14/96/524461496.db2.gz LDRFUFTZDPEKSX-JHJVBQTASA-N 0 0 402.276 2.519 50 0 HFAARN Cc1cccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1C ZINC000000916584 524521060 /nfs/dbraw/zinc/52/10/60/524521060.db2.gz XXQXBBQSBMUQDW-UHFFFAOYSA-N 0 0 419.522 2.557 50 0 HFAARN COc1ccc(NC(=O)NCCC(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1 ZINC000025459973 524562965 /nfs/dbraw/zinc/56/29/65/524562965.db2.gz CQOZHOUWVQOPFE-KRWDZBQOSA-N 0 0 408.462 2.613 50 0 HFAARN Cc1cc(C)n2nc(C(=O)N3CCN(Cc4csc5ccccc45)CC3)nc2n1 ZINC000032757363 524566645 /nfs/dbraw/zinc/56/66/45/524566645.db2.gz JCQRPZHAXGRKRN-UHFFFAOYSA-N 0 0 406.515 2.914 50 0 HFAARN Cc1cc(CN2CCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)no1 ZINC000032893597 524690988 /nfs/dbraw/zinc/69/09/88/524690988.db2.gz IKUOVIULWBXHQG-UHFFFAOYSA-N 0 0 409.490 2.685 50 0 HFAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1OC ZINC000032943670 524695686 /nfs/dbraw/zinc/69/56/86/524695686.db2.gz PNIVOBXPYUAHGN-UHFFFAOYSA-N 0 0 408.501 2.963 50 0 HFAARN COc1ccccc1[C@@H](NC(=O)COc1ccc(C(C)=O)cc1OC)c1nccn1C ZINC000032842387 524737447 /nfs/dbraw/zinc/73/74/47/524737447.db2.gz RXRNOUILAGAEPE-JOCHJYFZSA-N 0 0 423.469 2.925 50 0 HFAARN COc1ccccc1[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1nccn1C ZINC000032802538 524795211 /nfs/dbraw/zinc/79/52/11/524795211.db2.gz XPFXKOYNGSVIQM-NRFANRHFSA-N 0 0 422.485 2.831 50 0 HFAARN COc1ccccc1[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1nccn1C ZINC000032802533 524795952 /nfs/dbraw/zinc/79/59/52/524795952.db2.gz UHCHBBVEXKORJN-FQEVSTJZSA-N 0 0 408.458 2.789 50 0 HFAARN Cc1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)c(C)c1 ZINC000032093331 524960018 /nfs/dbraw/zinc/96/00/18/524960018.db2.gz PDXAUPWIRNEWTM-IBGZPJMESA-N 0 0 406.486 2.742 50 0 HFAARN Cc1ccc(N2N=C(C(=O)NCc3ccc(NC(N)=O)cc3)CCC2=O)cc1Cl ZINC000032899215 524987467 /nfs/dbraw/zinc/98/74/67/524987467.db2.gz OWWWTMRDYLMFNI-UHFFFAOYSA-N 0 0 413.865 2.938 50 0 HFAARN Cc1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1I ZINC000045954820 525094685 /nfs/dbraw/zinc/09/46/85/525094685.db2.gz VMOZTYLAPRNIOG-UHFFFAOYSA-N 0 0 419.226 2.757 50 0 HFAARN C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000027403600 525120737 /nfs/dbraw/zinc/12/07/37/525120737.db2.gz QYTUWADQZCACDP-CYBMUJFWSA-N 0 0 423.391 2.501 50 0 HFAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 ZINC000032904067 525130052 /nfs/dbraw/zinc/13/00/52/525130052.db2.gz RJMAGTBZMYRGNL-AWEZNQCLSA-N 0 0 407.561 2.633 50 0 HFAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000032738425 525131781 /nfs/dbraw/zinc/13/17/81/525131781.db2.gz NWEREXZPHXTGPV-FXAWDEMLSA-N 0 0 403.486 2.536 50 0 HFAARN CS(=O)(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000032754754 525162242 /nfs/dbraw/zinc/16/22/42/525162242.db2.gz DKUXQCKDHXMZDJ-UHFFFAOYSA-N 0 0 420.918 2.725 50 0 HFAARN CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3Cn3ccnc3)ccc21 ZINC000032860054 525171683 /nfs/dbraw/zinc/17/16/83/525171683.db2.gz GMHIUEBWTNUNIM-UHFFFAOYSA-N 0 0 424.526 2.574 50 0 HFAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000032731345 525592987 /nfs/dbraw/zinc/59/29/87/525592987.db2.gz ZGLGKMIZYCWABB-INIZCTEOSA-N 0 0 401.488 2.679 50 0 HFAARN Cc1c(C(=O)NCCCN2CCOCC2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000020560071 525610212 /nfs/dbraw/zinc/61/02/12/525610212.db2.gz USQKNYWOVJBZFB-HNNXBMFYSA-N 0 0 402.491 2.788 50 0 HFAARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc(Cl)c1 ZINC000248289326 525880930 /nfs/dbraw/zinc/88/09/30/525880930.db2.gz JBDYTQAKOZTYJP-APHBMKBZSA-N 0 0 404.850 2.552 50 0 HFAARN C[C@H](OC(=O)CCn1ncc(=O)c2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000032829202 525882402 /nfs/dbraw/zinc/88/24/02/525882402.db2.gz HSTNFWDKHRILQT-OXJNMPFZSA-N 0 0 419.481 2.912 50 0 HFAARN C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)Nc1sccc1C(N)=O ZINC000032869334 525894782 /nfs/dbraw/zinc/89/47/82/525894782.db2.gz RIIRDBJETNYDLZ-LBPRGKRZSA-N 0 0 424.482 2.705 50 0 HFAARN C[C@@H](OCCCNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccc1 ZINC000042128012 525901682 /nfs/dbraw/zinc/90/16/82/525901682.db2.gz MKWAIDKMIWTNJR-OAHLLOKOSA-N 0 0 404.898 2.864 50 0 HFAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009507366 525925125 /nfs/dbraw/zinc/92/51/25/525925125.db2.gz UUAITHMWDPVPFU-CQSZACIVSA-N 0 0 424.906 2.767 50 0 HFAARN C[C@H](SCc1ccccc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000044522174 525979471 /nfs/dbraw/zinc/97/94/71/525979471.db2.gz STKYJGYTSXXJNF-INIZCTEOSA-N 0 0 404.557 2.817 50 0 HFAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000044515292 526098931 /nfs/dbraw/zinc/09/89/31/526098931.db2.gz YFSXMKAOGFDNRI-NQIIRXRSSA-N 0 0 405.498 2.581 50 0 HFAARN COc1cccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(F)cc2)c1 ZINC000040416860 526110672 /nfs/dbraw/zinc/11/06/72/526110672.db2.gz DBTPLMJGOSVQJL-UHFFFAOYSA-N 0 0 406.417 2.880 50 0 HFAARN Cc1ccc2nc(COC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000021983962 526250044 /nfs/dbraw/zinc/25/00/44/526250044.db2.gz ROIZABQAYXNKSL-UHFFFAOYSA-N 0 0 413.861 2.910 50 0 HFAARN O=C(NCCCc1nc2ccccc2[nH]1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000032809209 526281737 /nfs/dbraw/zinc/28/17/37/526281737.db2.gz LKJXZGVZPKVDLD-OAQYLSRUSA-N 0 0 407.518 2.868 50 0 HFAARN O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N=c1[nH]c2ccccc2[nH]1 ZINC000040283010 526379637 /nfs/dbraw/zinc/37/96/37/526379637.db2.gz SQUKVNDUSHTWJZ-UHFFFAOYSA-N 0 0 411.893 2.706 50 0 HFAARN S=C1N=NC(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)N1c1ccccc1 ZINC000022883100 526390625 /nfs/dbraw/zinc/39/06/25/526390625.db2.gz PSTBPHZVEZZXKS-UHFFFAOYSA-N 0 0 409.515 2.603 50 0 HFAARN O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2 ZINC000040287576 526414341 /nfs/dbraw/zinc/41/43/41/526414341.db2.gz MGNUYJZITSYFTE-UHFFFAOYSA-N 0 0 413.547 2.875 50 0 HFAARN O=C(CCCC(=O)N1CCN(c2nsc3ccccc32)CC1)Nc1nncs1 ZINC000040286758 526415294 /nfs/dbraw/zinc/41/52/94/526415294.db2.gz YOQREXVUOAOGGB-UHFFFAOYSA-N 0 0 416.532 2.605 50 0 HFAARN O=C(OCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019909544 526420167 /nfs/dbraw/zinc/42/01/67/526420167.db2.gz ABJDDMHGEKGLJE-UHFFFAOYSA-N 0 0 408.907 2.503 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000241171095 526549662 /nfs/dbraw/zinc/54/96/62/526549662.db2.gz KECRBQSLRSSVBS-ZWKOTPCHSA-N 0 0 403.504 2.638 50 0 HFAARN 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O=C1CCc2cc(S(=O)(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2N1 ZINC000010683576 558385880 /nfs/dbraw/zinc/38/58/80/558385880.db2.gz LPVBZOQTPQXUCX-UHFFFAOYSA-N 0 0 400.378 2.948 50 0 HFAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1c(F)c(F)cc(F)c1F ZINC000020607366 558388210 /nfs/dbraw/zinc/38/82/10/558388210.db2.gz YDECCGWTWSEZNV-UHFFFAOYSA-N 0 0 417.322 2.777 50 0 HFAARN CSc1cccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)c1 ZINC000012371912 558389829 /nfs/dbraw/zinc/38/98/29/558389829.db2.gz QMGSWSUQQMRBLV-UHFFFAOYSA-N 0 0 418.478 2.908 50 0 HFAARN CCOc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012404272 558397851 /nfs/dbraw/zinc/39/78/51/558397851.db2.gz RIQDIVHWSZEOGL-UHFFFAOYSA-N 0 0 413.499 2.685 50 0 HFAARN COc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1OC ZINC000020715525 558401128 /nfs/dbraw/zinc/40/11/28/558401128.db2.gz FLLYVUIRLHBFKE-UHFFFAOYSA-N 0 0 407.470 2.794 50 0 HFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(F)ccc1F ZINC000020716125 558401390 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/nfs/dbraw/zinc/08/31/63/559083163.db2.gz IZDUDYNSRGPORT-UHFFFAOYSA-N 0 0 402.944 2.871 50 0 HFAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C ZINC000004816080 559088158 /nfs/dbraw/zinc/08/81/58/559088158.db2.gz LIVBYJBJFKJELV-UKRRQHHQSA-N 0 0 419.526 2.922 50 0 HFAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CC(=O)Nc2ccc(F)cc2)n1C ZINC000004816153 559088176 /nfs/dbraw/zinc/08/81/76/559088176.db2.gz UFJWWQREHMFCDV-XJKSGUPXSA-N 0 0 419.526 2.922 50 0 HFAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CC(=O)Nc2ccc(F)cc2)n1C ZINC000004816150 559088198 /nfs/dbraw/zinc/08/81/98/559088198.db2.gz UFJWWQREHMFCDV-CZUORRHYSA-N 0 0 419.526 2.922 50 0 HFAARN Cc1cc(C)c(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)no2)c(C)c1 ZINC000096210836 559101554 /nfs/dbraw/zinc/10/15/54/559101554.db2.gz DSMKZMJFSNUVDL-IBGZPJMESA-N 0 0 424.545 2.893 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OC(C)C)(C(=O)OC(C)C)CC2)cc1 ZINC000096372382 559110103 /nfs/dbraw/zinc/11/01/03/559110103.db2.gz TYMCHHVBICMWCW-UHFFFAOYSA-N 0 0 411.520 2.669 50 0 HFAARN CN(CC(=O)NCc1ccco1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000011563599 559110548 /nfs/dbraw/zinc/11/05/48/559110548.db2.gz LSXUYFJQHQLFNS-HNNXBMFYSA-N 0 0 407.879 2.511 50 0 HFAARN CC(C)NC(=O)N(O)[C@@H]1N(C(C)C)C(=O)N(Cc2ccc3c(c2)OCO3)C1(C)C ZINC000004817078 559115249 /nfs/dbraw/zinc/11/52/49/559115249.db2.gz QJODEDMBBJWMFQ-KRWDZBQOSA-N 0 0 406.483 2.975 50 0 HFAARN COC(=O)C(=CNc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000100025915 559128739 /nfs/dbraw/zinc/12/87/39/559128739.db2.gz VCHMJZDAKVKHBJ-PDGQHHTCSA-N 0 0 407.444 2.613 50 0 HFAARN O=C1C[C@H](N2CCC(Nc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1F ZINC000100210002 559131898 /nfs/dbraw/zinc/13/18/98/559131898.db2.gz FLSGHTFDKLSSET-SFHVURJKSA-N 0 0 411.433 2.763 50 0 HFAARN CC(=O)c1nn(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100631639 559137217 /nfs/dbraw/zinc/13/72/17/559137217.db2.gz FCJXOOLOHHNZMO-NVXWUHKLSA-N 0 0 412.243 2.772 50 0 HFAARN CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 ZINC000100741729 559139209 /nfs/dbraw/zinc/13/92/09/559139209.db2.gz HKFNTKFCOAUOFV-QFIPXVFZSA-N 0 0 421.497 2.742 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000023322689 559141066 /nfs/dbraw/zinc/14/10/66/559141066.db2.gz BUPWJVXTOXYUQF-UHFFFAOYSA-N 0 0 413.499 2.998 50 0 HFAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@H]1c1ccsc1 ZINC000101716804 559147815 /nfs/dbraw/zinc/14/78/15/559147815.db2.gz MQBIRWNCQSNYJG-KRWDZBQOSA-N 0 0 419.528 2.745 50 0 HFAARN Cc1ccc(S(=O)(=O)NCCCC(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cc1C ZINC000014167712 559154599 /nfs/dbraw/zinc/15/45/99/559154599.db2.gz IYEFCEXKSWZKFX-GOSISDBHSA-N 0 0 424.563 2.552 50 0 HFAARN Cc1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1C(=O)NC1CCCCC1 ZINC000004826932 559155466 /nfs/dbraw/zinc/15/54/66/559155466.db2.gz IHBGOBISZLBNPP-UHFFFAOYSA-N 0 0 406.504 2.825 50 0 HFAARN O=C(Cc1ccc(F)cc1)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000023328110 559155997 /nfs/dbraw/zinc/15/59/97/559155997.db2.gz LVOXGNZHULJCGW-UHFFFAOYSA-N 0 0 420.444 2.903 50 0 HFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014240856 559161691 /nfs/dbraw/zinc/16/16/91/559161691.db2.gz BWNUVRVKRKKDGB-UHFFFAOYSA-N 0 0 421.425 2.582 50 0 HFAARN Cn1c2[nH]c(S[C@H](c3ccccc3)[C@H](O)c3ccccc3)nc2c(=O)n(C)c1=O ZINC000106402977 559163633 /nfs/dbraw/zinc/16/36/33/559163633.db2.gz PUKSCJAZVQICKA-IAGOWNOFSA-N 0 0 408.483 2.527 50 0 HFAARN COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nncn1-c1ccccc1 ZINC000004835164 559165486 /nfs/dbraw/zinc/16/54/86/559165486.db2.gz AHFGFEVIRPKZPU-UHFFFAOYSA-N 0 0 404.473 2.777 50 0 HFAARN NS(=O)(=O)c1cccc(NC(=O)CSc2ccc(Br)cc2)c1 ZINC000004836711 559166180 /nfs/dbraw/zinc/16/61/80/559166180.db2.gz FKXWNBBTKFOGMS-UHFFFAOYSA-N 0 0 401.307 2.827 50 0 HFAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(-n2cnnn2)c1 ZINC000014596329 559170585 /nfs/dbraw/zinc/17/05/85/559170585.db2.gz CQPQQYJKGVRIEA-UHFFFAOYSA-N 0 0 407.352 2.959 50 0 HFAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000100207781 559177506 /nfs/dbraw/zinc/17/75/06/559177506.db2.gz HFSYTLKIKCDFFP-CMCWBKRRSA-N 0 0 419.456 2.874 50 0 HFAARN COCCOc1ccccc1CNC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000050128278 559179156 /nfs/dbraw/zinc/17/91/56/559179156.db2.gz DGOWGRDBKOVEDS-UHFFFAOYSA-N 0 0 400.475 2.997 50 0 HFAARN Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000004846457 559186679 /nfs/dbraw/zinc/18/66/79/559186679.db2.gz NWVHKODXVDBKIU-UHFFFAOYSA-N 0 0 416.499 2.965 50 0 HFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(Cl)ccc1N(CCC(C)C)C2=O ZINC000011692644 559186691 /nfs/dbraw/zinc/18/66/91/559186691.db2.gz CLENGVQRYXBZNB-GOSISDBHSA-N 0 0 408.911 2.888 50 0 HFAARN COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccn(C)n3)nc21 ZINC000011695564 559188765 /nfs/dbraw/zinc/18/87/65/559188765.db2.gz GILJTIATMYGVLO-LBPRGKRZSA-N 0 0 402.476 2.873 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)NC3CC3)c12 ZINC000011696145 559189315 /nfs/dbraw/zinc/18/93/15/559189315.db2.gz AHDQCYQWXKDNJP-MRXNPFEDSA-N 0 0 410.499 2.659 50 0 HFAARN Nc1c(C(=O)NCc2ccc(F)cc2)nnn1Cc1ccc(Br)cc1 ZINC000004852361 559191378 /nfs/dbraw/zinc/19/13/78/559191378.db2.gz HNSIKAMQIIBADB-UHFFFAOYSA-N 0 0 404.243 2.740 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(C)c(C)nc1-n1nc(C)cc1C ZINC000004853482 559191792 /nfs/dbraw/zinc/19/17/92/559191792.db2.gz YXHPUNCKFDOBHY-UHFFFAOYSA-N 0 0 415.881 2.963 50 0 HFAARN COc1ccc(-c2c(=O)n(OCc3ccccc3)c3ccccc3[n+]2[O-])cc1OC ZINC000004872017 559194459 /nfs/dbraw/zinc/19/44/59/559194459.db2.gz RSLSAWRLFVHMLP-UHFFFAOYSA-N 0 0 404.422 2.948 50 0 HFAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1)c1ccccc1 ZINC000004909450 559201318 /nfs/dbraw/zinc/20/13/18/559201318.db2.gz MQXSXTRWQVPFQM-HOCLYGCPSA-N 0 0 414.487 2.501 50 0 HFAARN CCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1 ZINC000004909483 559201478 /nfs/dbraw/zinc/20/14/78/559201478.db2.gz IRDDHIBSRYRPET-HNNXBMFYSA-N 0 0 414.487 2.825 50 0 HFAARN CCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1 ZINC000004909476 559201503 /nfs/dbraw/zinc/20/15/03/559201503.db2.gz IRDDHIBSRYRPET-OAHLLOKOSA-N 0 0 414.487 2.825 50 0 HFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1 ZINC000004909515 559201522 /nfs/dbraw/zinc/20/15/22/559201522.db2.gz KOQWEIOLIVSPPV-CQSZACIVSA-N 0 0 400.460 2.571 50 0 HFAARN CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000004930217 559209191 /nfs/dbraw/zinc/20/91/91/559209191.db2.gz AHRFYOGLERDGRS-SFHVURJKSA-N 0 0 409.534 2.555 50 0 HFAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(C)ccc1C ZINC000004942073 559213308 /nfs/dbraw/zinc/21/33/08/559213308.db2.gz LOOMXZVWTGKGCQ-UHFFFAOYSA-N 0 0 412.515 2.542 50 0 HFAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C)cc1 ZINC000004942141 559213311 /nfs/dbraw/zinc/21/33/11/559213311.db2.gz GABOYWMOHZWTSS-UHFFFAOYSA-N 0 0 412.515 2.624 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000004943918 559214580 /nfs/dbraw/zinc/21/45/80/559214580.db2.gz IPSNQIDMPVLIQP-UHFFFAOYSA-N 0 0 400.460 2.824 50 0 HFAARN Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCCOc1ccccc1 ZINC000004944069 559214622 /nfs/dbraw/zinc/21/46/22/559214622.db2.gz PQYXFQQXRHAWFL-UHFFFAOYSA-N 0 0 412.471 2.645 50 0 HFAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000004994262 559225494 /nfs/dbraw/zinc/22/54/94/559225494.db2.gz FHXZWIUHXBYYJM-NHYWBVRUSA-N 0 0 401.290 2.961 50 0 HFAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NCc1ccccc1 ZINC000005000004 559226308 /nfs/dbraw/zinc/22/63/08/559226308.db2.gz CPDQYVALWKPBNT-UHFFFAOYSA-N 0 0 417.440 2.667 50 0 HFAARN CCCN(CCC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000005005496 559227047 /nfs/dbraw/zinc/22/70/47/559227047.db2.gz OINSLKTVSZAUFG-CQSZACIVSA-N 0 0 410.565 2.741 50 0 HFAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(C)cc3)c(O)c12 ZINC000100563771 559227876 /nfs/dbraw/zinc/22/78/76/559227876.db2.gz ZOHMXAABPOPDBN-FUHWJXTLSA-N 0 0 411.845 2.946 50 0 HFAARN COCCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2ccccc2c1=O ZINC000005030987 559230941 /nfs/dbraw/zinc/23/09/41/559230941.db2.gz RTQBJOUPVVPYKY-UHFFFAOYSA-N 0 0 412.467 2.899 50 0 HFAARN CCc1ccc(CC)c(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1 ZINC000005039079 559232803 /nfs/dbraw/zinc/23/28/03/559232803.db2.gz ABZDFIKOJZDNPM-UHFFFAOYSA-N 0 0 405.472 2.507 50 0 HFAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1cc(Cl)cc3c1OCOC3)C2=O ZINC000005041010 559235727 /nfs/dbraw/zinc/23/57/27/559235727.db2.gz JCYLRPFARAEYMJ-MPBGBICISA-N 0 0 422.865 2.750 50 0 HFAARN CCCN(CCC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N(CC)CC)cc2c1=O ZINC000005042304 559235783 /nfs/dbraw/zinc/23/57/83/559235783.db2.gz DIQTUODPOJCCLI-UHFFFAOYSA-N 0 0 421.563 2.831 50 0 HFAARN Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c(Cl)c1 ZINC000005043101 559236174 /nfs/dbraw/zinc/23/61/74/559236174.db2.gz OXXVKERSKBBXSM-UHFFFAOYSA-N 0 0 416.844 2.530 50 0 HFAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005047078 559236679 /nfs/dbraw/zinc/23/66/79/559236679.db2.gz FLMOUNRGYKMMHM-UBIUBJKMSA-N 0 0 415.511 2.933 50 0 HFAARN COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005064520 559239748 /nfs/dbraw/zinc/23/97/48/559239748.db2.gz PWLQMDMTWMSCHV-YVEFUNNKSA-N 0 0 420.487 2.542 50 0 HFAARN COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1/C=C/c1ccccc1OC ZINC000005066426 559239948 /nfs/dbraw/zinc/23/99/48/559239948.db2.gz UZKHVNCHMSFJNF-MVHLYKQMSA-N 0 0 416.499 2.874 50 0 HFAARN COc1cc(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1OC(F)F ZINC000011708819 559241261 /nfs/dbraw/zinc/24/12/61/559241261.db2.gz WPSWXRHSKQFPOT-UHFFFAOYSA-N 0 0 414.430 2.641 50 0 HFAARN COc1ccc(N(C(=O)CCc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000005080626 559242503 /nfs/dbraw/zinc/24/25/03/559242503.db2.gz CODUGBSXUIMNAF-QGZVFWFLSA-N 0 0 401.484 2.980 50 0 HFAARN COc1ccc(N(C(=O)CCc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000005080620 559242505 /nfs/dbraw/zinc/24/25/05/559242505.db2.gz CODUGBSXUIMNAF-KRWDZBQOSA-N 0 0 401.484 2.980 50 0 HFAARN CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005091475 559243771 /nfs/dbraw/zinc/24/37/71/559243771.db2.gz DCSVZZXGCWGOCP-GOSISDBHSA-N 0 0 403.500 2.923 50 0 HFAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005099739 559244770 /nfs/dbraw/zinc/24/47/70/559244770.db2.gz TYNSOOJDEAUMGP-UHFFFAOYSA-N 0 0 417.487 2.836 50 0 HFAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)N1CCC(C)CC1 ZINC000005106647 559245864 /nfs/dbraw/zinc/24/58/64/559245864.db2.gz LLCAYJDAVGCNND-UHFFFAOYSA-N 0 0 414.531 2.875 50 0 HFAARN CCCCn1c2nc(CSc3ccc4c(c3)OCCO4)n(CC)c2c(=O)[nH]c1=O ZINC000005113865 559247218 /nfs/dbraw/zinc/24/72/18/559247218.db2.gz YUSBUBRTYRAGKZ-UHFFFAOYSA-N 0 0 416.503 2.770 50 0 HFAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cc1 ZINC000005120184 559247640 /nfs/dbraw/zinc/24/76/40/559247640.db2.gz LYHONIBNMJQWKC-UHFFFAOYSA-N 0 0 412.519 2.854 50 0 HFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cnn(Cc2ccccc2Cl)c1 ZINC000409414426 559249924 /nfs/dbraw/zinc/24/99/24/559249924.db2.gz QNTPMUBTTNUZCW-GOSISDBHSA-N 0 0 423.860 2.664 50 0 biogenic 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C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)C[C@H]1COc2ccccc2O1 ZINC000248117943 559264160 /nfs/dbraw/zinc/26/41/60/559264160.db2.gz MAZYXEKZYYXGQI-PXNSSMCTSA-N 0 0 411.502 2.622 50 0 HFAARN O=c1[nH]c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n1-c1ccccc1Cl ZINC000100758513 559264453 /nfs/dbraw/zinc/26/44/53/559264453.db2.gz IWVPSWPFEBJCCP-GOSISDBHSA-N 0 0 408.845 2.601 50 0 biogenic HFAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC ZINC000011906537 559266751 /nfs/dbraw/zinc/26/67/51/559266751.db2.gz CSTPMFSGSMBQPN-UHFFFAOYSA-N 0 0 402.472 2.804 50 0 HFAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2cc3c(cc2Cl)OCCO3)n1 ZINC000011982939 559269978 /nfs/dbraw/zinc/26/99/78/559269978.db2.gz KJQFTABBGLOKPG-UHFFFAOYSA-N 0 0 405.867 2.897 50 0 HFAARN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000248317511 559270563 /nfs/dbraw/zinc/27/05/63/559270563.db2.gz MZSUUEUZRZOAQA-ZWKOTPCHSA-N 0 0 402.491 2.539 50 0 HFAARN CC[C@@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(=O)N(C)C ZINC000426490307 559271812 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COc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cccs3)s2)cc1 ZINC000005200505 559292987 /nfs/dbraw/zinc/29/29/87/559292987.db2.gz XHEMMLCQDZYTEL-UHFFFAOYSA-N 0 0 409.514 2.877 50 0 aggregator HFAARN COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1OC ZINC000005218768 560544036 /nfs/dbraw/zinc/54/40/36/560544036.db2.gz ZTRVGFCUGONOKO-HXUWFJFHSA-N 0 0 404.369 2.632 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2-c2ccccc2)NC(=O)N[C@H]1CC ZINC000005244298 560550047 /nfs/dbraw/zinc/55/00/47/560550047.db2.gz AYCROBLPHXLFCV-AWEZNQCLSA-N 0 0 413.430 2.715 50 0 HFAARN CCC(=O)C(C(=O)CC)=c1s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 ZINC000005244436 560550132 /nfs/dbraw/zinc/55/01/32/560550132.db2.gz MTBPLVXQENVUSI-XSFVSMFZSA-N 0 0 409.482 2.976 50 0 HFAARN CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1N ZINC000005257297 560550863 /nfs/dbraw/zinc/55/08/63/560550863.db2.gz SZPIPXXFCZGITI-UHFFFAOYSA-N 0 0 413.503 2.721 50 0 HFAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005263945 560553217 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CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)c1C ZINC000005326524 560565476 /nfs/dbraw/zinc/56/54/76/560565476.db2.gz WREMIWVYMIOLCW-UHFFFAOYSA-N 0 0 401.419 2.562 50 0 HFAARN Nc1c(C(=O)N2CCCC2)nsc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000062006804 560566069 /nfs/dbraw/zinc/56/60/69/560566069.db2.gz DNIGKJVUPYYVJB-UHFFFAOYSA-N 0 0 419.938 2.577 50 0 HFAARN CCn1c(SCC(=O)NCc2ccco2)nc2nc(-c3ccccc3)ncc2c1=O ZINC000062007163 560566309 /nfs/dbraw/zinc/56/63/09/560566309.db2.gz LLVCCBNIDDTQSB-UHFFFAOYSA-N 0 0 421.482 2.875 50 0 HFAARN Cc1nn2c(-c3ccc(S(=O)(=O)NCc4ccco4)o3)nnc2c2ccccc12 ZINC000005321968 560568307 /nfs/dbraw/zinc/56/83/07/560568307.db2.gz DOEHKEZKGATINK-UHFFFAOYSA-N 0 0 409.427 2.917 50 0 HFAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCCC1 ZINC000005322031 560568403 /nfs/dbraw/zinc/56/84/03/560568403.db2.gz QNYLEROZALTRLF-KPFBPEDLSA-N 0 0 415.559 2.989 50 0 HFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2cccc(O)c2)OCC3)c(=O)n(C)c1=O ZINC000005345464 560569922 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/nfs/dbraw/zinc/43/20/68/568432068.db2.gz HKPDIGHYDLRPQV-YPKPFQOOSA-N 0 0 407.492 2.784 50 0 HFAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)n1 ZINC000048235406 568432791 /nfs/dbraw/zinc/43/27/91/568432791.db2.gz FIHHTUWBDTVLIE-JCGIZDLHSA-N 0 0 400.527 2.966 50 0 HFAARN Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 ZINC000048235409 568432826 /nfs/dbraw/zinc/43/28/26/568432826.db2.gz FIHHTUWBDTVLIE-ZTFGCOKTSA-N 0 0 400.527 2.966 50 0 HFAARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000048235913 568432922 /nfs/dbraw/zinc/43/29/22/568432922.db2.gz ZPVSPZNXNYYVHJ-OAQYLSRUSA-N 0 0 418.497 2.645 50 0 HFAARN COc1cccc(C(=O)NC2CCN(C(=O)Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000048263955 568433796 /nfs/dbraw/zinc/43/37/96/568433796.db2.gz AEGQGIMIZRMKGR-UHFFFAOYSA-N 0 0 418.497 2.844 50 0 HFAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c12 ZINC000048265633 568433965 /nfs/dbraw/zinc/43/39/65/568433965.db2.gz IFMYUBGFFHEKDC-UHFFFAOYSA-N 0 0 410.352 2.884 50 0 HFAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)NCc3ccco3)c12 ZINC000048274487 568435325 /nfs/dbraw/zinc/43/53/25/568435325.db2.gz OQDGMPHCQPYPCZ-UHFFFAOYSA-N 0 0 408.389 2.977 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cnc(C)s3)CC2)cc1 ZINC000048309383 568436389 /nfs/dbraw/zinc/43/63/89/568436389.db2.gz ZWYULDLDGRZMFT-UHFFFAOYSA-N 0 0 410.517 2.604 50 0 HFAARN COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC(=O)c1cccc(C)c1 ZINC000048310782 568436818 /nfs/dbraw/zinc/43/68/18/568436818.db2.gz GLOJCSYPCXNRKM-UHFFFAOYSA-N 0 0 403.456 2.785 50 0 HFAARN CC(C)c1c(C(=O)NCCS(=O)(=O)Cc2ccccc2)cnn1-c1ccccn1 ZINC000048300664 568437418 /nfs/dbraw/zinc/43/74/18/568437418.db2.gz RJBOBABIJRNGTN-UHFFFAOYSA-N 0 0 412.515 2.736 50 0 HFAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)C1 ZINC000048332877 568439364 /nfs/dbraw/zinc/43/93/64/568439364.db2.gz NFTRSCAXXPGNKG-QFBILLFUSA-N 0 0 404.507 2.642 50 0 HFAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CCN(c4ncccn4)CC3)C2)c1 ZINC000048333929 568439596 /nfs/dbraw/zinc/43/95/96/568439596.db2.gz FBLIUCQWLDYZIF-LJQANCHMSA-N 0 0 421.545 2.731 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000048332515 568440146 /nfs/dbraw/zinc/44/01/46/568440146.db2.gz OAOWDJQEHAFWRI-UWJYYQICSA-N 0 0 408.564 2.791 50 0 HFAARN Cn1c2ccccc2nc1[C@@H]1CCCCN1S(=O)(=O)CCn1nnc2ccccc21 ZINC000048364684 568442150 /nfs/dbraw/zinc/44/21/50/568442150.db2.gz ZHIGUOHDTOASSG-FQEVSTJZSA-N 0 0 424.530 2.875 50 0 HFAARN COCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC ZINC000048375016 568442363 /nfs/dbraw/zinc/44/23/63/568442363.db2.gz HKEUAFKOOGJEON-SJLPKXTDSA-N 0 0 412.486 2.951 50 0 HFAARN COCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC ZINC000048375015 568442376 /nfs/dbraw/zinc/44/23/76/568442376.db2.gz HKEUAFKOOGJEON-FUHWJXTLSA-N 0 0 412.486 2.951 50 0 HFAARN Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000012230567 568442928 /nfs/dbraw/zinc/44/29/28/568442928.db2.gz ATZFFSLEWYGGBS-UHFFFAOYSA-N 0 0 424.428 2.920 50 0 HFAARN O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)N1CCc2ccccc21 ZINC000012231047 568443149 /nfs/dbraw/zinc/44/31/49/568443149.db2.gz DUTZIYVQPDRVGT-UHFFFAOYSA-N 0 0 408.429 2.648 50 0 HFAARN O=c1ccc(-c2nc(-c3cccc(F)c3)no2)cn1Cc1cc(=O)n2ccccc2n1 ZINC000049007477 568445041 /nfs/dbraw/zinc/44/50/41/568445041.db2.gz LAVKZKJZYACSME-UHFFFAOYSA-N 0 0 415.384 2.761 50 0 HFAARN Cc1ccc(CNC(=O)Cn2nc3c(Sc4cccc(F)c4)nccn3c2=O)cc1 ZINC000049009228 568445315 /nfs/dbraw/zinc/44/53/15/568445315.db2.gz OZCDXRNUSNYCEK-UHFFFAOYSA-N 0 0 423.473 2.806 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000049009372 568445390 /nfs/dbraw/zinc/44/53/90/568445390.db2.gz CECZBDUXSUVKIR-UHFFFAOYSA-N 0 0 409.833 2.859 50 0 HFAARN COc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@@H](c3ccc(C)cc3)NC2=O)cc1 ZINC000049402885 568448082 /nfs/dbraw/zinc/44/80/82/568448082.db2.gz WOPCXNWJCPAMCA-HXUWFJFHSA-N 0 0 407.426 2.520 50 0 HFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)nn2)cc1C ZINC000049406323 568448607 /nfs/dbraw/zinc/44/86/07/568448607.db2.gz RTLGFIABPFNWAE-UHFFFAOYSA-N 0 0 423.542 2.909 50 0 HFAARN O=C(NC1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1)c1cc2ccccc2[nH]1 ZINC000049405813 568448832 /nfs/dbraw/zinc/44/88/32/568448832.db2.gz VWDZSHYNVZFUFL-UHFFFAOYSA-N 0 0 414.469 2.783 50 0 HFAARN CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)nn2)cc1 ZINC000049406456 568448940 /nfs/dbraw/zinc/44/89/40/568448940.db2.gz LLQHHKPTVFWULQ-UHFFFAOYSA-N 0 0 423.542 2.855 50 0 HFAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)n21 ZINC000049407274 568449154 /nfs/dbraw/zinc/44/91/54/568449154.db2.gz NHOQXXALPNOYMR-UHFFFAOYSA-N 0 0 412.812 2.693 50 0 HFAARN O=C(NCc1cccc(Cl)c1)c1cn(-c2cc(N3CCSCC3)ncn2)cn1 ZINC000049411298 568449998 /nfs/dbraw/zinc/44/99/98/568449998.db2.gz OUIFZQXNOBMJKV-UHFFFAOYSA-N 0 0 414.922 2.799 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)n1 ZINC000012231331 568450125 /nfs/dbraw/zinc/45/01/25/568450125.db2.gz BKWORHOMSAGBCV-UHFFFAOYSA-N 0 0 419.272 2.581 50 0 HFAARN CCCN1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000049420789 568450310 /nfs/dbraw/zinc/45/03/10/568450310.db2.gz OWKZFTVTTYVGMZ-UHFFFAOYSA-N 0 0 423.521 2.783 50 0 HFAARN COc1ccc(Cc2nnc(C3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)s2)cc1 ZINC000049422476 568450749 /nfs/dbraw/zinc/45/07/49/568450749.db2.gz KKXQLLKERATNLH-UHFFFAOYSA-N 0 0 410.499 2.846 50 0 HFAARN O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049545042 568451336 /nfs/dbraw/zinc/45/13/36/568451336.db2.gz YQBAJAAIFVKFTA-UHFFFAOYSA-N 0 0 413.257 2.796 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1 ZINC000049547995 568451591 /nfs/dbraw/zinc/45/15/91/568451591.db2.gz HPQYQRYGPZXAGT-UHFFFAOYSA-N 0 0 413.478 2.906 50 0 HFAARN COc1ccccc1N(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(C)cc1 ZINC000049573947 568452230 /nfs/dbraw/zinc/45/22/30/568452230.db2.gz PBXUZHDRLYIXDQ-UHFFFAOYSA-N 0 0 416.421 2.877 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C(C)C)n1 ZINC000012231511 568453128 /nfs/dbraw/zinc/45/31/28/568453128.db2.gz XTYVTXPHQFHGLB-UHFFFAOYSA-N 0 0 406.490 2.637 50 0 HFAARN CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)ccc1O ZINC000006752888 568458475 /nfs/dbraw/zinc/45/84/75/568458475.db2.gz JZKXIILKPBBTJE-NRFANRHFSA-N 0 0 409.442 2.814 50 0 HFAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCCOC)CC2)c2cc(C)ccc2O1 ZINC000006847014 568461204 /nfs/dbraw/zinc/46/12/04/568461204.db2.gz XYWGPCSTTIIYFV-SFHVURJKSA-N 0 0 403.523 2.957 50 0 HFAARN CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(Br)c1 ZINC000006849991 568461425 /nfs/dbraw/zinc/46/14/25/568461425.db2.gz LBUOPJWILCUZND-YWPYICTPSA-N 0 0 401.326 2.520 50 0 HFAARN COc1cccc2cc(-c3ccc(OCC(=O)NCCc4c[nH]cn4)cc3)c(=O)oc21 ZINC000012296458 568462631 /nfs/dbraw/zinc/46/26/31/568462631.db2.gz XEFBQOKNJSOJHJ-UHFFFAOYSA-N 0 0 419.437 2.929 50 0 biogenic HFAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccs1 ZINC000006901402 568463622 /nfs/dbraw/zinc/46/36/22/568463622.db2.gz LBFUGNMMGZLRLU-UHFFFAOYSA-N 0 0 403.529 2.804 50 0 HFAARN COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc21 ZINC000012322524 568471411 /nfs/dbraw/zinc/47/14/11/568471411.db2.gz KAXPKFJEWKYYGN-NSHDSACASA-N 0 0 411.414 2.671 50 0 HFAARN COc1cc2c(cc(C(=O)NCCC(=O)Nc3ncc(C)s3)n2C)c(OC)c1 ZINC000012324433 568471730 /nfs/dbraw/zinc/47/17/30/568471730.db2.gz BRCFTEKPDXAEQK-UHFFFAOYSA-N 0 0 402.476 2.719 50 0 HFAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)oc1c3ncn(CC(N)=O)c1=O ZINC000012324661 568471858 /nfs/dbraw/zinc/47/18/58/568471858.db2.gz GJXCMIULWACXOK-UHFFFAOYSA-N 0 0 404.426 2.541 50 0 HFAARN Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000007161414 568473227 /nfs/dbraw/zinc/47/32/27/568473227.db2.gz JVXOVEYJYQYZLK-AWEZNQCLSA-N 0 0 408.487 2.827 50 0 HFAARN C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000007176850 568473652 /nfs/dbraw/zinc/47/36/52/568473652.db2.gz DRWFOOVDMIPCPN-IUODEOHRSA-N 0 0 413.952 2.652 50 0 HFAARN CC[C@H](CO)NS(=O)(=O)c1cc(-c2nnc(OC)c3ccccc32)ccc1C ZINC000000781041 568474745 /nfs/dbraw/zinc/47/47/45/568474745.db2.gz BKSIMDJNTNFFGP-OAHLLOKOSA-N 0 0 401.488 2.663 50 0 HFAARN O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 ZINC000020605156 568480037 /nfs/dbraw/zinc/48/00/37/568480037.db2.gz LHRCQWDBLDSNIM-UHFFFAOYSA-N 0 0 422.453 2.618 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3sc2=O)cc1 ZINC000000809699 568487526 /nfs/dbraw/zinc/48/75/26/568487526.db2.gz SDNZGKCNHJCEGF-UHFFFAOYSA-N 0 0 419.528 2.732 50 0 HFAARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000604403879 568492155 /nfs/dbraw/zinc/49/21/55/568492155.db2.gz BJUXYJGODRGQTO-SFHVURJKSA-N 0 0 411.458 2.532 50 0 biogenic HFAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000604418693 568492970 /nfs/dbraw/zinc/49/29/70/568492970.db2.gz JZAQFHCWABWOEZ-IBGZPJMESA-N 0 0 417.469 2.628 50 0 HFAARN COc1cc(OC)c([C@@H]2C3=CNNC3=Nc3c4ccccc4oc(=O)c32)cc1OC ZINC000604418518 568493011 /nfs/dbraw/zinc/49/30/11/568493011.db2.gz JSLKZTKRQKDUKA-GOSISDBHSA-N 0 0 405.410 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/nfs/dbraw/zinc/51/22/55/568512255.db2.gz SNRJLFRKZDKRJP-XKQJLSEDSA-N 0 0 400.928 2.666 50 0 HFAARN CC(C)[C@@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2n1C ZINC000223214769 568541298 /nfs/dbraw/zinc/54/12/98/568541298.db2.gz SZACGGVNZRBDBC-HXUWFJFHSA-N 0 0 419.489 2.656 50 0 HFAARN COc1cc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)ccc1-n1nc(C)cc1C ZINC000223230717 568541855 /nfs/dbraw/zinc/54/18/55/568541855.db2.gz JYVYWSYSKNGCOX-HXUWFJFHSA-N 0 0 417.473 2.907 50 0 HFAARN C[C@@H](NC(=O)CCN1C(=O)C[C@@](C)(c2ccccc2)C1=O)c1nc2ccccc2n1C ZINC000223239487 568542219 /nfs/dbraw/zinc/54/22/19/568542219.db2.gz RMCSAUHZZJMGGX-GYCJOSAFSA-N 0 0 418.497 2.857 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)N1CCSCC1 ZINC000014979289 568549026 /nfs/dbraw/zinc/54/90/26/568549026.db2.gz KPDWXZUYUQLZSX-OAQYLSRUSA-N 0 0 409.555 2.620 50 0 HFAARN COC(=O)c1ccc(C(=O)OC)c(N2C(=O)c3c(c4ccccc4nc3C)C2=O)c1 ZINC000020116333 568589454 /nfs/dbraw/zinc/58/94/54/568589454.db2.gz PGACAQVXEMNVPS-UHFFFAOYSA-N 0 0 404.378 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HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2)c1N ZINC000021115402 568668762 /nfs/dbraw/zinc/66/87/62/568668762.db2.gz DFMUYQJCDQZISF-UHFFFAOYSA-N 0 0 407.430 2.842 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000095956102 568669264 /nfs/dbraw/zinc/66/92/64/568669264.db2.gz YILHCFOAVUTQGT-GOSISDBHSA-N 0 0 414.575 2.798 50 0 HFAARN O=C(NCCn1ccccc1=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000095965230 568670781 /nfs/dbraw/zinc/67/07/81/568670781.db2.gz YCZUVMGJDHRZSQ-SFHVURJKSA-N 0 0 404.308 2.564 50 0 HFAARN CCC(=O)Nc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2s1 ZINC000021152263 568672619 /nfs/dbraw/zinc/67/26/19/568672619.db2.gz JSNRHHZANHUACH-UHFFFAOYSA-N 0 0 408.439 2.880 50 0 HFAARN Cc1sc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1-c1ccno1 ZINC000021152450 568672678 /nfs/dbraw/zinc/67/26/78/568672678.db2.gz REQYSGXNSGCRMT-UHFFFAOYSA-N 0 0 421.500 2.760 50 0 HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCC(=O)c3ccccc3OC)cc2)c1C ZINC000095977241 568673617 /nfs/dbraw/zinc/67/36/17/568673617.db2.gz MRVJTVZHCMCVDU-UHFFFAOYSA-N 0 0 421.453 2.979 50 0 HFAARN C[C@]1(C(=O)NCc2ccc(N3CCOCC3)nc2)CC(c2ccccc2Cl)=NO1 ZINC000225798599 568675615 /nfs/dbraw/zinc/67/56/15/568675615.db2.gz GQWYGNKEHPNCIQ-OAQYLSRUSA-N 0 0 414.893 2.771 50 0 HFAARN Cc1nc2n(c1CN1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)CCCC2 ZINC000095993308 568678108 /nfs/dbraw/zinc/67/81/08/568678108.db2.gz BHEDLKPGWUSBKB-UHFFFAOYSA-N 0 0 414.984 2.749 50 0 HFAARN CO[C@@H]1CCN(c2ncc(Br)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005716 568682568 /nfs/dbraw/zinc/68/25/68/568682568.db2.gz BZYYTOTZNUYDHQ-QWHCGFSZSA-N 0 0 401.305 2.748 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3(CCO)CCCCC3)C2)s1 ZINC000095997280 568679352 /nfs/dbraw/zinc/67/93/52/568679352.db2.gz JYBIHXIJUHGEHT-MRXNPFEDSA-N 0 0 414.593 2.659 50 0 HFAARN COc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)nn1 ZINC000095998464 568679616 /nfs/dbraw/zinc/67/96/16/568679616.db2.gz LTVMRYYWSDANRY-LJQANCHMSA-N 0 0 407.474 2.561 50 0 HFAARN Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cc(Cl)cc(Cl)c3)no2)cn1 ZINC000096001750 568681329 /nfs/dbraw/zinc/68/13/29/568681329.db2.gz KEDNKXXLHSTQDM-CQSZACIVSA-N 0 0 408.245 2.991 50 0 HFAARN CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)Cc1cccnc1 ZINC000096007148 568683230 /nfs/dbraw/zinc/68/32/30/568683230.db2.gz UCEQLYFRPOLXIL-UHFFFAOYSA-N 0 0 419.503 2.714 50 0 HFAARN Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)n(-c2ccccc2)n1 ZINC000021228685 568685637 /nfs/dbraw/zinc/68/56/37/568685637.db2.gz UBSFHQATICURLS-UHFFFAOYSA-N 0 0 409.475 2.785 50 0 HFAARN CC1(C)Cc2cccc(OCC(=O)N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)c2O1 ZINC000096025374 568686216 /nfs/dbraw/zinc/68/62/16/568686216.db2.gz HDZHRIGZEPFMKB-GOSISDBHSA-N 0 0 415.511 2.854 50 0 HFAARN Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000096027803 568687046 /nfs/dbraw/zinc/68/70/46/568687046.db2.gz YBSDNYBRXDRBOQ-UHFFFAOYSA-N 0 0 401.532 2.800 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(CC)CC3)cc1 ZINC000021295242 568687081 /nfs/dbraw/zinc/68/70/81/568687081.db2.gz RPSPSLLVLIEKLQ-UHFFFAOYSA-N 0 0 422.576 2.804 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)N[C@@H](C)CC)c2ncnn2[C@H]1c1ccc(C)cc1 ZINC000021351018 568687755 /nfs/dbraw/zinc/68/77/55/568687755.db2.gz FMCGCVVWZSKRJN-YWZLYKJASA-N 0 0 411.506 2.748 50 0 HFAARN CCc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)s1 ZINC000096096683 568689289 /nfs/dbraw/zinc/68/92/89/568689289.db2.gz VCSCMXGJGVCAHM-UHFFFAOYSA-N 0 0 424.573 2.711 50 0 HFAARN O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1Br ZINC000096097324 568689492 /nfs/dbraw/zinc/68/94/92/568689492.db2.gz KMRXYLLYMBSSCH-CYBMUJFWSA-N 0 0 414.277 2.580 50 0 HFAARN O=C(Nc1nnc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)s1)C1CC1 ZINC000021359375 568689920 /nfs/dbraw/zinc/68/99/20/568689920.db2.gz ZHFSQAAZXPKJGW-UHFFFAOYSA-N 0 0 403.445 2.958 50 0 HFAARN CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(S(=O)(=O)N2CCCCC2)n1 ZINC000096101736 568691261 /nfs/dbraw/zinc/69/12/61/568691261.db2.gz LUNKZLZMQCADHF-CQSZACIVSA-N 0 0 408.499 2.708 50 0 HFAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)COc4cccc(C)c4)CC3)C2=O)cc1 ZINC000096105345 568692573 /nfs/dbraw/zinc/69/25/73/568692573.db2.gz VGZPEQLHRXIPHB-UHFFFAOYSA-N 0 0 421.497 2.795 50 0 HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096114364 568693943 /nfs/dbraw/zinc/69/39/43/568693943.db2.gz UQORLWXSNCONMX-IBGZPJMESA-N 0 0 419.485 2.533 50 0 biogenic HFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCSc1ccccc1)C=C2 ZINC000096115452 568694977 /nfs/dbraw/zinc/69/49/77/568694977.db2.gz RYAGZKGGWJTBOT-UHFFFAOYSA-N 0 0 412.511 2.968 50 0 biogenic HFAARN CCOC(=O)Cc1csc(NC(=O)[C@H](C)NC(=O)c2cc3ccccc3o2)n1 ZINC000012391838 568695752 /nfs/dbraw/zinc/69/57/52/568695752.db2.gz LKPWQLJLGPAFQU-NSHDSACASA-N 0 0 401.444 2.752 50 0 HFAARN COc1ccc2c(ccn2CC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c1 ZINC000096116436 568695782 /nfs/dbraw/zinc/69/57/82/568695782.db2.gz JCSPZSWTZKOYCH-FQEVSTJZSA-N 0 0 418.453 2.845 50 0 biogenic HFAARN COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)sc1C ZINC000096118685 568698386 /nfs/dbraw/zinc/69/83/86/568698386.db2.gz QPJLBBWEDYVVMO-LLVKDONJSA-N 0 0 405.501 2.952 50 0 HFAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000096119223 568698790 /nfs/dbraw/zinc/69/87/90/568698790.db2.gz WPDXHKNPMBUZPU-UHFFFAOYSA-N 0 0 411.524 2.545 50 0 HFAARN Cc1nn(C)c(C)c1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121632 568699738 /nfs/dbraw/zinc/69/97/38/568699738.db2.gz UYQSPIGJYTZWMO-UHFFFAOYSA-N 0 0 405.549 2.818 50 0 HFAARN Cn1c(C[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCCC4)C3)C2)nc2cccnc21 ZINC000096124900 568700958 /nfs/dbraw/zinc/70/09/58/568700958.db2.gz KWKHXHPKENFIBV-MSOLQXFVSA-N 0 0 423.561 2.931 50 0 HFAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000021461465 568702378 /nfs/dbraw/zinc/70/23/78/568702378.db2.gz QZPKGSHXLNQVEJ-UHFFFAOYSA-N 0 0 404.806 2.566 50 0 HFAARN Cc1cc(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)cc(S(N)(=O)=O)c1C ZINC000021485319 568704236 /nfs/dbraw/zinc/70/42/36/568704236.db2.gz IRSMCYPDWXZAGI-HNNXBMFYSA-N 0 0 408.520 2.503 50 0 HFAARN CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000096210750 568704390 /nfs/dbraw/zinc/70/43/90/568704390.db2.gz JBAJLYDLQRPONO-SFHVURJKSA-N 0 0 416.909 2.764 50 0 HFAARN CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000096210752 568704495 /nfs/dbraw/zinc/70/44/95/568704495.db2.gz JBAJLYDLQRPONO-GOSISDBHSA-N 0 0 416.909 2.764 50 0 HFAARN COCC(=O)N1C[C@H](C(=O)NCc2cccnc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211291 568704572 /nfs/dbraw/zinc/70/45/72/568704572.db2.gz ZZGLTMSTPHVTIW-MSOLQXFVSA-N 0 0 421.419 2.605 50 0 HFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1ccc(OC)cc1 ZINC000096211251 568704606 /nfs/dbraw/zinc/70/46/06/568704606.db2.gz MBZDTEIPQNMEPJ-VQTJNVASSA-N 0 0 414.477 2.843 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000096222086 568705499 /nfs/dbraw/zinc/70/54/99/568705499.db2.gz RXNIFYGPQDFFBM-NRFANRHFSA-N 0 0 421.497 2.523 50 0 biogenic HFAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(C(C)C)cc2)o1 ZINC000096224306 568706508 /nfs/dbraw/zinc/70/65/08/568706508.db2.gz FQIXGAINPWKTLS-IBGZPJMESA-N 0 0 415.486 2.996 50 0 HFAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000096230691 568706752 /nfs/dbraw/zinc/70/67/52/568706752.db2.gz RYRJPUZQENFXRW-HNNXBMFYSA-N 0 0 407.455 2.654 50 0 HFAARN COc1cc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)ccc1-n1nc(C)cc1C ZINC000096231626 568707263 /nfs/dbraw/zinc/70/72/63/568707263.db2.gz JYVYWSYSKNGCOX-FQEVSTJZSA-N 0 0 417.473 2.907 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCNC(=O)c1cnccn1 ZINC000096231534 568707345 /nfs/dbraw/zinc/70/73/45/568707345.db2.gz NHIWKLUCPCEQQR-SFHVURJKSA-N 0 0 407.474 2.670 50 0 HFAARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(Br)cc2)o1 ZINC000096232023 568707817 /nfs/dbraw/zinc/70/78/17/568707817.db2.gz USJAAPAFUPOVLE-OAHLLOKOSA-N 0 0 422.275 2.797 50 0 HFAARN CSCC[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000096232654 568708278 /nfs/dbraw/zinc/70/82/78/568708278.db2.gz YAEKCQWOBAAVEN-SFHVURJKSA-N 0 0 407.499 2.883 50 0 HFAARN Cc1cc(NC(=O)Cn2nnnc2-c2ccccc2NC(=O)c2cccc(F)c2)no1 ZINC000021523378 568708829 /nfs/dbraw/zinc/70/88/29/568708829.db2.gz NYWMZIXMHASTIM-UHFFFAOYSA-N 0 0 421.392 2.667 50 0 HFAARN O=C(NCc1cccs1)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000021526210 568709409 /nfs/dbraw/zinc/70/94/09/568709409.db2.gz CGMBYGWBGFAMLW-OAQYLSRUSA-N 0 0 420.538 2.675 50 0 HFAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)NCCc1ccccc1 ZINC000021537374 568712510 /nfs/dbraw/zinc/71/25/10/568712510.db2.gz OBQSWTGAWFJAJR-UHFFFAOYSA-N 0 0 405.483 2.536 50 0 HFAARN COc1ccc(CCNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1OC ZINC000000851395 568712491 /nfs/dbraw/zinc/71/24/91/568712491.db2.gz OZSMCCVSBNJGFK-HXUWFJFHSA-N 0 0 410.470 2.683 50 0 biogenic HFAARN Cc1ccc(CCNC(=O)c2cnc3sc(N4CCC[C@H](C)C4)nn3c2=O)cc1 ZINC000021537621 568712749 /nfs/dbraw/zinc/71/27/49/568712749.db2.gz QCYURDZEDVAXFU-HNNXBMFYSA-N 0 0 411.531 2.668 50 0 HFAARN C[C@@H]1CCCN(c2nn3c(ncc(C(=O)NCc4ccccc4Cl)c3=O)s2)C1 ZINC000021537541 568712752 /nfs/dbraw/zinc/71/27/52/568712752.db2.gz BCBHQYBOCWBYIP-GFCCVEGCSA-N 0 0 417.922 2.971 50 0 HFAARN Cc1ccc(-n2ccn3c(CCC(=O)NCc4ccc(F)cc4)nnc3c2=O)cc1C ZINC000021540437 568713730 /nfs/dbraw/zinc/71/37/30/568713730.db2.gz YRXUGUJXACUHHT-UHFFFAOYSA-N 0 0 419.460 2.885 50 0 HFAARN CCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)C(C)C)ccc21 ZINC000096276400 568715407 /nfs/dbraw/zinc/71/54/07/568715407.db2.gz QGFCQSDUADLRHK-UHFFFAOYSA-N 0 0 400.523 2.708 50 0 HFAARN CN1CCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000096281814 568718977 /nfs/dbraw/zinc/71/89/77/568718977.db2.gz RDBJOHGWGKIDID-UHFFFAOYSA-N 0 0 410.541 2.526 50 0 HFAARN O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000012422884 568721414 /nfs/dbraw/zinc/72/14/14/568721414.db2.gz CSSSGZTVFWHACB-LBPRGKRZSA-N 0 0 413.286 2.848 50 0 HFAARN C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccnc1Cl ZINC000021601857 568723110 /nfs/dbraw/zinc/72/31/10/568723110.db2.gz IRSNVIARLNOSGK-PXRHCINRSA-N 0 0 419.909 2.938 50 0 HFAARN CC1CCN(C(=O)C2CCC(Cn3c(=O)c4sccc4n(C)c3=O)CC2)CC1 ZINC000021628888 568724746 /nfs/dbraw/zinc/72/47/46/568724746.db2.gz IGTCMTHYBMIDKY-UHFFFAOYSA-N 0 0 403.548 2.827 50 0 HFAARN O=C(c1ccno1)N(CCCN1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000012443830 568725021 /nfs/dbraw/zinc/72/50/21/568725021.db2.gz MDUHNUTYXYUWLZ-UHFFFAOYSA-N 0 0 408.430 2.932 50 0 HFAARN Cc1c2nc(N(CCN3CCOCC3)C(=O)c3ccnn3C)sc2ccc1Cl ZINC000012444211 568725597 /nfs/dbraw/zinc/72/55/97/568725597.db2.gz QOOQBNCZLVGNAO-UHFFFAOYSA-N 0 0 419.938 2.971 50 0 HFAARN Cc1cc(NC(=O)C2CCCC2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 ZINC000012444308 568725817 /nfs/dbraw/zinc/72/58/17/568725817.db2.gz UYVDZBAFOVJAKW-UHFFFAOYSA-N 0 0 421.436 2.871 50 0 HFAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1ccc(F)cc1 ZINC000021640486 568727751 /nfs/dbraw/zinc/72/77/51/568727751.db2.gz QEGYGAVHGHBNOU-UHFFFAOYSA-N 0 0 423.423 2.798 50 0 HFAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096321685 568729381 /nfs/dbraw/zinc/72/93/81/568729381.db2.gz XTQCRPCOWUQLJD-UHFFFAOYSA-N 0 0 412.881 2.644 50 0 HFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000096322200 568730032 /nfs/dbraw/zinc/73/00/32/568730032.db2.gz KMEWDWDRMGMZSD-UHFFFAOYSA-N 0 0 403.435 2.835 50 0 HFAARN CCOc1ccc(CNC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)cc1OC ZINC000021652437 568730270 /nfs/dbraw/zinc/73/02/70/568730270.db2.gz MGXVUUMVIRVVEO-UHFFFAOYSA-N 0 0 424.457 2.578 50 0 HFAARN C[C@@H]1CC[S@](=O)CCN1c1ncnc2ccc(I)cc21 ZINC000241961309 568732041 /nfs/dbraw/zinc/73/20/41/568732041.db2.gz URHZEGMIWWXVMM-SBKAZYGRSA-N 0 0 401.273 2.582 50 0 HFAARN COc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1 ZINC000096324200 568733421 /nfs/dbraw/zinc/73/34/21/568733421.db2.gz PSVAYXATARMOGX-UHFFFAOYSA-N 0 0 418.497 2.820 50 0 HFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 ZINC000096324638 568733858 /nfs/dbraw/zinc/73/38/58/568733858.db2.gz SECZNJGSIOMSNP-KRWDZBQOSA-N 0 0 407.449 2.779 50 0 HFAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1 ZINC000096324666 568734263 /nfs/dbraw/zinc/73/42/63/568734263.db2.gz HYNSKPDJXXRGLQ-UHFFFAOYSA-N 0 0 419.485 2.649 50 0 HFAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000096324764 568734311 /nfs/dbraw/zinc/73/43/11/568734311.db2.gz HDGCSSHIZAMSJE-LJQANCHMSA-N 0 0 403.486 2.683 50 0 HFAARN COc1ccc(CC(=O)N[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C(C)C)cc1Cl ZINC000096332398 568736269 /nfs/dbraw/zinc/73/62/69/568736269.db2.gz VVJYPMCXWZSVPA-LJQANCHMSA-N 0 0 414.893 2.969 50 0 HFAARN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)s2)OCCO)cc1 ZINC000096338121 568736727 /nfs/dbraw/zinc/73/67/27/568736727.db2.gz UBLFYBUOKCQAID-ZDUSSCGKSA-N 0 0 420.350 2.848 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4n[nH]c5ccccc54)C3)c2c1 ZINC000096344313 568737296 /nfs/dbraw/zinc/73/72/96/568737296.db2.gz ILRXWZNJOMQWGK-HNNXBMFYSA-N 0 0 417.469 2.765 50 0 HFAARN O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000096345450 568737457 /nfs/dbraw/zinc/73/74/57/568737457.db2.gz WYWGJBPCENTXSF-HNNXBMFYSA-N 0 0 423.904 2.918 50 0 HFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 ZINC000000886503 568738927 /nfs/dbraw/zinc/73/89/27/568738927.db2.gz SAZPTPWDKJCTJI-IBGZPJMESA-N 0 0 402.472 2.640 50 0 HFAARN CC(C)N1CCn2c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3nc2C1=O ZINC000096372429 568739849 /nfs/dbraw/zinc/73/98/49/568739849.db2.gz OKHJVWQRVNDPBO-UHFFFAOYSA-N 0 0 406.442 2.559 50 0 HFAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc4nsnc4c3)CC2)cc1 ZINC000096376168 568740785 /nfs/dbraw/zinc/74/07/85/568740785.db2.gz IYFYMFAGHJZALG-UHFFFAOYSA-N 0 0 417.512 2.778 50 0 HFAARN Cc1cccc(N2N=C(C(=O)N3CCN(CCOc4ccccc4)CC3)CCC2=O)c1 ZINC000018826647 568741481 /nfs/dbraw/zinc/74/14/81/568741481.db2.gz RLRWTSQSQRVWCY-UHFFFAOYSA-N 0 0 420.513 2.701 50 0 HFAARN COc1cc(NC(=O)Nc2nnc(CC(=O)N3CCCCC3)s2)cc(OC)c1 ZINC000021703801 568742511 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CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 ZINC000004166884 568919357 /nfs/dbraw/zinc/91/93/57/568919357.db2.gz NHJSEGLNJNMHFR-UHFFFAOYSA-N 0 0 402.501 2.685 50 0 HFAARN NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1 ZINC000004166816 568919363 /nfs/dbraw/zinc/91/93/63/568919363.db2.gz BQYANXYWVALLLD-UHFFFAOYSA-N 0 0 401.213 2.577 50 0 HFAARN CCOc1ncccc1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000003620782 568920701 /nfs/dbraw/zinc/92/07/01/568920701.db2.gz XRZFYIVWPYUTNI-UHFFFAOYSA-N 0 0 404.220 2.608 50 0 HFAARN COc1ccc(Cc2nnc(NC(=O)N(C)[C@H]3CCC[C@H]3S(C)(=O)=O)s2)cc1 ZINC000083855565 568920747 /nfs/dbraw/zinc/92/07/47/568920747.db2.gz ZHAAQHDYZFMQEL-LSDHHAIUSA-N 0 0 424.548 2.567 50 0 HFAARN CC(C)c1nnc(NC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)s1 ZINC000012728430 568921018 /nfs/dbraw/zinc/92/10/18/568921018.db2.gz TVJRNKNTTFZWPW-UHFFFAOYSA-N 0 0 421.548 2.899 50 0 HFAARN COC(=O)CN(C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)C1CCCC1 ZINC000083891261 568923007 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CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000031446510 568926556 /nfs/dbraw/zinc/92/65/56/568926556.db2.gz DUUVIBXYYGOKRB-UHFFFAOYSA-N 0 0 406.895 2.563 50 0 HFAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)c1 ZINC000031546034 568927664 /nfs/dbraw/zinc/92/76/64/568927664.db2.gz PITPCWKRKXLMTR-DNVCBOLYSA-N 0 0 422.485 2.706 50 0 HFAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)o2)cc1 ZINC000031718562 568929701 /nfs/dbraw/zinc/92/97/01/568929701.db2.gz DJCQYJVUTQGGSR-UHFFFAOYSA-N 0 0 420.469 2.858 50 0 HFAARN COc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc(OC)c1C ZINC000025893203 568929692 /nfs/dbraw/zinc/92/96/92/568929692.db2.gz UXVXXXNCGGTPGL-UHFFFAOYSA-N 0 0 418.515 2.595 50 0 HFAARN O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccc2c(c1)OCCO2 ZINC000031729289 568929801 /nfs/dbraw/zinc/92/98/01/568929801.db2.gz SFMVVKZTSPJXMB-UHFFFAOYSA-N 0 0 419.231 2.584 50 0 HFAARN Cc1ccc(Oc2ccccc2NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000012746364 568932580 /nfs/dbraw/zinc/93/25/80/568932580.db2.gz FHHLOYAFWHOWCL-UHFFFAOYSA-N 0 0 416.437 2.985 50 0 HFAARN CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012746697 568932729 /nfs/dbraw/zinc/93/27/29/568932729.db2.gz RUZFUFOCIOPPAD-BARDWOONSA-N 0 0 416.499 2.618 50 0 HFAARN CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000058910250 568932838 /nfs/dbraw/zinc/93/28/38/568932838.db2.gz MMXUZCJXYQWOPT-ZDUSSCGKSA-N 0 0 400.397 2.858 50 0 HFAARN CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(O)cc1 ZINC000004029957 568934386 /nfs/dbraw/zinc/93/43/86/568934386.db2.gz FVYWGRKLKFZUCH-VAWZGJIGSA-N 0 0 420.502 2.830 50 0 biogenic HFAARN CS(=O)(=O)NCCc1ccc(C(=O)OCCCC(=O)c2ccc(F)cc2)cc1 ZINC000012748671 568934937 /nfs/dbraw/zinc/93/49/37/568934937.db2.gz NBDIXBMSLOPTRS-UHFFFAOYSA-N 0 0 407.463 2.737 50 0 HFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3)C2)c1 ZINC000004036241 568935374 /nfs/dbraw/zinc/93/53/74/568935374.db2.gz 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CN1c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C(C)(C)C1=O ZINC000015942703 569024252 /nfs/dbraw/zinc/02/42/52/569024252.db2.gz AUPVFFYQXXUJOH-UHFFFAOYSA-N 0 0 417.506 2.591 50 0 HFAARN CCc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012929193 569024374 /nfs/dbraw/zinc/02/43/74/569024374.db2.gz LCTMRWHRGPMOOO-UHFFFAOYSA-N 0 0 422.572 2.689 50 0 HFAARN CC(C)(C)c1ncc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)cn1 ZINC000063817841 569024738 /nfs/dbraw/zinc/02/47/38/569024738.db2.gz YCNFGLMFCZAPTA-UHFFFAOYSA-N 0 0 419.279 2.901 50 0 HFAARN NC(=O)c1c(NC(=O)COc2cccc(N3CCCC3=O)c2)sc2c1CCCC2 ZINC000012932840 569025080 /nfs/dbraw/zinc/02/50/80/569025080.db2.gz XXRJFINNBBCUJP-UHFFFAOYSA-N 0 0 413.499 2.870 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000012936902 569027286 /nfs/dbraw/zinc/02/72/86/569027286.db2.gz BVOMGWYEXYMAPN-PMACEKPBSA-N 0 0 422.529 2.730 50 0 HFAARN COCCn1nnc2ccc(NC(=O)[C@H](Cc3ccccc3)n3cccc3)cc2c1=O ZINC000575443962 569028518 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CSCc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 ZINC000006984362 569195801 /nfs/dbraw/zinc/19/58/01/569195801.db2.gz OIXJUCAXOBHPPN-SFHVURJKSA-N 0 0 421.588 2.995 50 0 HFAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cccc(N3CCCC3=O)c2)no1 ZINC000006988348 569195989 /nfs/dbraw/zinc/19/59/89/569195989.db2.gz FUDQRQXVZPYTKZ-CYBMUJFWSA-N 0 0 402.476 2.809 50 0 HFAARN Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2N)c1 ZINC000006999789 569196848 /nfs/dbraw/zinc/19/68/48/569196848.db2.gz YWFOSUJIOQMMTB-UHFFFAOYSA-N 0 0 400.389 2.646 50 0 HFAARN CCOC(=O)CCC(=O)Nc1c(C)cc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1C ZINC000006995673 569197168 /nfs/dbraw/zinc/19/71/68/569197168.db2.gz XWAGTNCVHAPQOF-GOSISDBHSA-N 0 0 419.396 2.898 50 0 HFAARN CCCC(=O)Nc1ccc(C)n(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c1=O ZINC000065212182 569197337 /nfs/dbraw/zinc/19/73/37/569197337.db2.gz DUJQQJRFFAOOLT-UHFFFAOYSA-N 0 0 424.545 2.861 50 0 HFAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4cncnc4N(C)C)CC3)CC2)c1 ZINC000065226191 569199743 /nfs/dbraw/zinc/19/97/43/569199743.db2.gz GTNJYXRQFYZBDH-UHFFFAOYSA-N 0 0 422.577 2.725 50 0 HFAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000007007068 569199824 /nfs/dbraw/zinc/19/98/24/569199824.db2.gz HOVYHNGDFANHEX-UHFFFAOYSA-N 0 0 401.772 2.618 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)o2)cc1OC ZINC000007007263 569200002 /nfs/dbraw/zinc/20/00/02/569200002.db2.gz PUCNWKHDLHXQDI-UHFFFAOYSA-N 0 0 406.464 2.614 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000007007461 569200184 /nfs/dbraw/zinc/20/01/84/569200184.db2.gz COLUJQQYSUUASE-OAHLLOKOSA-N 0 0 410.426 2.626 50 0 HFAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](CO)C(C)C)c(C)c13)CCC(C)(C)O2 ZINC000036569556 569200746 /nfs/dbraw/zinc/20/07/46/569200746.db2.gz TVZBKPRHUQPKCA-INIZCTEOSA-N 0 0 417.502 2.889 50 0 HFAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCC[C@@H]4CO)ccc3c2=O)cc1 ZINC000036575797 569200989 /nfs/dbraw/zinc/20/09/89/569200989.db2.gz OSTYBYRDVRPMGU-MRXNPFEDSA-N 0 0 409.438 2.831 50 0 HFAARN C[C@@H]1CCCCN1Cc1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)no1 ZINC000065235926 569202466 /nfs/dbraw/zinc/20/24/66/569202466.db2.gz MVWSQIJDXMNQCD-MRXNPFEDSA-N 0 0 404.474 2.969 50 0 HFAARN C=C1C(N2CCCN(C(=O)[C@@H](C)CC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239396 569203395 /nfs/dbraw/zinc/20/33/95/569203395.db2.gz SXZRPKRDWWYNGC-AWEZNQCLSA-N 0 0 407.511 2.879 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1)C(=O)OC ZINC000036589940 569204274 /nfs/dbraw/zinc/20/42/74/569204274.db2.gz PLYWYHNJVHERHO-IRWQIABSSA-N 0 0 400.479 2.663 50 0 HFAARN COc1cccc(N2CCN(C(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)CC2)c1 ZINC000036593161 569204314 /nfs/dbraw/zinc/20/43/14/569204314.db2.gz WDGYHCBJELLBAJ-HXUWFJFHSA-N 0 0 422.485 2.524 50 0 HFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCCc1ccccc1 ZINC000036601424 569205064 /nfs/dbraw/zinc/20/50/64/569205064.db2.gz QRMRHZXLJQUIBU-GOSISDBHSA-N 0 0 423.469 2.569 50 0 HFAARN Cc1nnc(-c2coc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)o1 ZINC000065246501 569205542 /nfs/dbraw/zinc/20/55/42/569205542.db2.gz FJMUPNIBRSNMSZ-UHFFFAOYSA-N 0 0 408.867 2.802 50 0 HFAARN CC(C)c1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)o1 ZINC000065246600 569205676 /nfs/dbraw/zinc/20/56/76/569205676.db2.gz DXGMZCJZZRQKCM-UHFFFAOYSA-N 0 0 402.476 2.964 50 0 HFAARN COc1ccc(CNC(=O)c2cnn(-c3ncccc3-c3nc(C)no3)c2C)cc1 ZINC000065251195 569206519 /nfs/dbraw/zinc/20/65/19/569206519.db2.gz GGJWVOLEPHLXOL-UHFFFAOYSA-N 0 0 404.430 2.873 50 0 HFAARN Cc1c(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cnn1C(F)F ZINC000036614722 569206726 /nfs/dbraw/zinc/20/67/26/569206726.db2.gz WTVIWEKIIMEMBX-UHFFFAOYSA-N 0 0 422.860 2.886 50 0 HFAARN Cc1c(S(=O)(=O)NCCn2nc(C(F)F)cc2C(F)F)cnn1C(F)F ZINC000036615096 569206940 /nfs/dbraw/zinc/20/69/40/569206940.db2.gz QBWGZMRXEFMOAO-UHFFFAOYSA-N 0 0 405.324 2.637 50 0 HFAARN Cn1cc(Cn2ncc(Cl)c2NC(=O)c2cc(C3CC3)nc3c2cnn3C)cn1 ZINC000036616430 569207549 /nfs/dbraw/zinc/20/75/49/569207549.db2.gz JGBXBSXEACPKSY-UHFFFAOYSA-N 0 0 410.869 2.730 50 0 HFAARN CC1CCN(c2nc(C(=O)N3CCN(c4ccccc4)CC3)nc3c2cnn3C)CC1 ZINC000065257075 569208648 /nfs/dbraw/zinc/20/86/48/569208648.db2.gz FQXDTKIJDJDWTJ-UHFFFAOYSA-N 0 0 419.533 2.562 50 0 HFAARN COc1ccc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)cc1OC ZINC000065257355 569208692 /nfs/dbraw/zinc/20/86/92/569208692.db2.gz XTFSTXFDNVHFTO-UHFFFAOYSA-N 0 0 414.506 2.631 50 0 HFAARN CCOC(=O)c1nn(CC)cc1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c21 ZINC000036618944 569210355 /nfs/dbraw/zinc/21/03/55/569210355.db2.gz ADUGVZXHBCBNTB-UHFFFAOYSA-N 0 0 423.433 2.577 50 0 HFAARN Cc1nn(C)c2ncc(NC(=O)c3cc(-c4cnn(C)c4)nc4onc(C)c43)cc12 ZINC000036619014 569210426 /nfs/dbraw/zinc/21/04/26/569210426.db2.gz CGRLTCXKCUMYTP-UHFFFAOYSA-N 0 0 402.418 2.774 50 0 HFAARN Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn21 ZINC000036619215 569210606 /nfs/dbraw/zinc/21/06/06/569210606.db2.gz AHGJPPOZBZVLCZ-LBPRGKRZSA-N 0 0 409.881 2.848 50 0 HFAARN COc1cc([C@@H](CC(=O)NCCc2ccncc2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729761 569211843 /nfs/dbraw/zinc/21/18/43/569211843.db2.gz IQVBAMZNVANLGG-QGZVFWFLSA-N 0 0 424.453 2.644 50 0 biogenic HFAARN COc1ccc2nc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)sc2c1 ZINC000036626904 569212207 /nfs/dbraw/zinc/21/22/07/569212207.db2.gz WQICNFWSCQKINK-UHFFFAOYSA-N 0 0 402.476 2.744 50 0 HFAARN COc1ccc(Cn2c3cc(C(=O)N4CCCC4)ccc3n3nccc3c2=O)cc1 ZINC000065270991 569213558 /nfs/dbraw/zinc/21/35/58/569213558.db2.gz OKTXTAGGMUFLDY-UHFFFAOYSA-N 0 0 402.454 2.942 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCCn1c(=O)[nH]c3ccccc3c1=O)CC2 ZINC000524734915 569213807 /nfs/dbraw/zinc/21/38/07/569213807.db2.gz USXJYHPNKORJNT-SFHVURJKSA-N 0 0 423.469 2.703 50 0 HFAARN C=C1C(N2CCC(NC(=O)N[C@H](C)CC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271878 569215401 /nfs/dbraw/zinc/21/54/01/569215401.db2.gz VPXJRKPKKGMUIP-CQSZACIVSA-N 0 0 404.536 2.722 50 0 HFAARN C=C1C(N2CCC(NC(=O)NC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271882 569215408 /nfs/dbraw/zinc/21/54/08/569215408.db2.gz GTJHZMJSZIWDJH-UHFFFAOYSA-N 0 0 404.536 2.640 50 0 HFAARN C=C1C(N2CCC(NC(=O)NCC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271864 569215445 /nfs/dbraw/zinc/21/54/45/569215445.db2.gz NTSVNMXVBSHJPU-UHFFFAOYSA-N 0 0 418.563 2.888 50 0 HFAARN C=C1C(N2CCCN(C(=O)NC(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000065271973 569215461 /nfs/dbraw/zinc/21/54/61/569215461.db2.gz MROXXLVWFLLXGQ-UHFFFAOYSA-N 0 0 418.563 2.902 50 0 HFAARN C=C1C(N2CCCN(C(=O)NC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065271959 569215477 /nfs/dbraw/zinc/21/54/77/569215477.db2.gz SOOXJPLMUBWZNM-UHFFFAOYSA-N 0 0 422.526 2.814 50 0 HFAARN CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2ccc(C)cc2)CC3)CC1 ZINC000065273377 569216175 /nfs/dbraw/zinc/21/61/75/569216175.db2.gz DHPKJWKCPCOTGO-SFHVURJKSA-N 0 0 412.559 2.541 50 0 HFAARN O=C(NC1CCCC1)[C@@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273730 569216253 /nfs/dbraw/zinc/21/62/53/569216253.db2.gz RUESRIMKNSJAPO-MRXNPFEDSA-N 0 0 416.591 2.756 50 0 HFAARN O=C(Nc1cnn(-c2ncncc2N2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000065283023 569216382 /nfs/dbraw/zinc/21/63/82/569216382.db2.gz VEOKUTPVOYTKQG-UHFFFAOYSA-N 0 0 418.379 2.770 50 0 HFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000007088421 569217589 /nfs/dbraw/zinc/21/75/89/569217589.db2.gz XLOVONLYCXYMKR-HSZRJFAPSA-N 0 0 420.469 2.528 50 0 HFAARN Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000007088443 569217660 /nfs/dbraw/zinc/21/76/60/569217660.db2.gz WTVQKGHSUFJJGO-JOCHJYFZSA-N 0 0 405.458 2.596 50 0 HFAARN CCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)oc1C ZINC000065293900 569218577 /nfs/dbraw/zinc/21/85/77/569218577.db2.gz JVBRMWILVMMLLY-UHFFFAOYSA-N 0 0 405.520 2.822 50 0 HFAARN COCC(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccc(OC)cc2)CC1 ZINC000065299526 569219355 /nfs/dbraw/zinc/21/93/55/569219355.db2.gz PYUBTWMUIGRWPL-UHFFFAOYSA-N 0 0 415.519 2.530 50 0 HFAARN CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(C)n1-c1cccc(C)c1 ZINC000007095025 569219565 /nfs/dbraw/zinc/21/95/65/569219565.db2.gz AAMOEMRCOIUDIP-KRWDZBQOSA-N 0 0 402.520 2.920 50 0 HFAARN CCCCn1c2nn(CC(=O)Nc3ccccc3C)c(=O)n2c2ccsc2c1=O ZINC000065305316 569220458 /nfs/dbraw/zinc/22/04/58/569220458.db2.gz LOMGUFUYLATKSL-UHFFFAOYSA-N 0 0 411.487 2.620 50 0 HFAARN COC(=O)c1ccc2c(c1)nc(N1CCN(C)CC1)n(-c1cccc(Cl)c1)c2=O ZINC000065306647 569220662 /nfs/dbraw/zinc/22/06/62/569220662.db2.gz DPSVJRNXAKBFRW-UHFFFAOYSA-N 0 0 412.877 2.578 50 0 HFAARN CCOc1ccc(CC(=O)N2CCN(c3cc(C(C)C)n4cnnc4n3)CC2)cc1 ZINC000065311932 569221138 /nfs/dbraw/zinc/22/11/38/569221138.db2.gz ZZLZKHPTCJBSOV-UHFFFAOYSA-N 0 0 408.506 2.538 50 0 HFAARN CCOc1cc(CNC(=O)[C@@H]2CCCN(c3nnc4ccccn43)C2)ccc1OC ZINC000065312277 569221208 /nfs/dbraw/zinc/22/12/08/569221208.db2.gz CZVWQFHTACNWSR-QGZVFWFLSA-N 0 0 409.490 2.669 50 0 HFAARN C[C@H](NC(=O)COC(=O)c1cncc(Br)c1)c1ccc2c(c1)OCO2 ZINC000007107620 569221330 /nfs/dbraw/zinc/22/13/30/569221330.db2.gz BTZDLLPGXWOCTE-JTQLQIEISA-N 0 0 407.220 2.607 50 0 HFAARN C[C@@H](NC(=O)COC(=O)c1cncc(Br)c1)c1ccc2c(c1)OCO2 ZINC000007107621 569221343 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569266578 /nfs/dbraw/zinc/26/65/78/569266578.db2.gz PGCZXGBFUBOPFR-GFCCVEGCSA-N 0 0 414.850 2.713 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 ZINC000016913761 569267185 /nfs/dbraw/zinc/26/71/85/569267185.db2.gz PNBZXOIDYMAIIE-UHFFFAOYSA-N 0 0 421.425 2.800 50 0 HFAARN O=C(Cn1c(=O)cnc2ccccc21)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000089878650 569267567 /nfs/dbraw/zinc/26/75/67/569267567.db2.gz DEWDVTUBGUBANJ-YJBOKZPZSA-N 0 0 417.387 2.750 50 0 HFAARN Cc1ccc(OCCN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000016966554 569268799 /nfs/dbraw/zinc/26/87/99/569268799.db2.gz BJTVWJQTOVASER-KRWDZBQOSA-N 0 0 410.470 2.657 50 0 HFAARN CC(=O)NCCc1ccc(C(=O)N2CC(=O)Nc3cc(Br)ccc32)cc1 ZINC000089962709 569270077 /nfs/dbraw/zinc/27/00/77/569270077.db2.gz IPVYNTFMFRMRSO-UHFFFAOYSA-N 0 0 416.275 2.727 50 0 HFAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016980838 569270323 /nfs/dbraw/zinc/27/03/23/569270323.db2.gz RORILSNPVVBRAM-UHFFFAOYSA-N 0 0 423.473 2.532 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC(C)C)c12 ZINC000016993146 569270870 /nfs/dbraw/zinc/27/08/70/569270870.db2.gz AENDNEOCGCUVPT-ZDUSSCGKSA-N 0 0 418.544 2.966 50 0 HFAARN Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000017041881 569272376 /nfs/dbraw/zinc/27/23/76/569272376.db2.gz GJLYVABYOPUVBO-UHFFFAOYSA-N 0 0 418.428 2.693 50 0 HFAARN Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccccc2)cc1 ZINC000017042183 569272415 /nfs/dbraw/zinc/27/24/15/569272415.db2.gz NRWCLMXCZCOWTK-UHFFFAOYSA-N 0 0 424.526 2.731 50 0 HFAARN Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NCCCc4ccccc4)cn(C)c3c2=O)cc1 ZINC000017052038 569272674 /nfs/dbraw/zinc/27/26/74/569272674.db2.gz XONFZOKLKFGEAY-UHFFFAOYSA-N 0 0 416.481 2.689 50 0 HFAARN C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000017070204 569272935 /nfs/dbraw/zinc/27/29/35/569272935.db2.gz PNZUZFZIOVXEJM-LLVKDONJSA-N 0 0 401.410 2.913 50 0 HFAARN O=C(CN1CCN(C(=O)NCc2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000017067957 569272936 /nfs/dbraw/zinc/27/29/36/569272936.db2.gz KFHNCIIUBFYRHS-UHFFFAOYSA-N 0 0 404.873 2.945 50 0 HFAARN C[C@@H]1NC(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)=NN(c2ccccc2)C1=O ZINC000170636934 569279694 /nfs/dbraw/zinc/27/96/94/569279694.db2.gz ZGOVQTQNSHTUCC-RBOXIYTFSA-N 0 0 400.841 2.790 50 0 HFAARN COc1ccc2c(c1OC)C(=O)N1c3c(cc(OC)c(OC)c3OC)C(=O)O[C@H]21 ZINC000002087498 569279914 /nfs/dbraw/zinc/27/99/14/569279914.db2.gz PJVFLFCIOGVIEJ-LJQANCHMSA-N 0 0 401.371 2.559 50 0 biogenic HFAARN COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(C)=O ZINC000006703681 569280031 /nfs/dbraw/zinc/28/00/31/569280031.db2.gz WCXZUCBPXMOHBQ-UHFFFAOYSA-N 0 0 417.531 2.781 50 0 HFAARN Cc1cccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)c1 ZINC000002092033 569280603 /nfs/dbraw/zinc/28/06/03/569280603.db2.gz YFZBJVTZUSFVJF-FGSXEWAUSA-N 0 0 422.529 2.949 50 0 biogenic HFAARN COc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1OC ZINC000007708251 569280763 /nfs/dbraw/zinc/28/07/63/569280763.db2.gz XXNHHISUAPVPHM-UHFFFAOYSA-N 0 0 406.460 2.640 50 0 HFAARN CC1(C)O[C@H]2O[C@H](C(=O)Nc3ccc(F)c(Cl)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000002107142 569283127 /nfs/dbraw/zinc/28/31/27/569283127.db2.gz RVFNRVLOUHFGGZ-WZYWGQKZSA-N 0 0 401.818 2.814 50 0 biogenic HFAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002121458 569285633 /nfs/dbraw/zinc/28/56/33/569285633.db2.gz DUMQOXHYOYEYFW-OLMMMNRUSA-N 0 0 403.523 2.733 50 0 biogenic HFAARN CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000007594902 569287295 /nfs/dbraw/zinc/28/72/95/569287295.db2.gz DJTVECUHHVBSRC-UHFFFAOYSA-N 0 0 403.342 2.718 50 0 HFAARN O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000007597731 569287831 /nfs/dbraw/zinc/28/78/31/569287831.db2.gz RQJNWRCUUDRXKA-UHFFFAOYSA-N 0 0 420.453 2.998 50 0 HFAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N3C[C@@H](CO)OC[C@H]3C)cc2)cc1 ZINC000252477442 569288369 /nfs/dbraw/zinc/28/83/69/569288369.db2.gz OBBSAAAUDXLCMQ-BEFAXECRSA-N 0 0 407.488 2.648 50 0 HFAARN O=C(/C=C/c1ccc(Cl)cc1)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 ZINC000252488933 569289475 /nfs/dbraw/zinc/28/94/75/569289475.db2.gz JCGOELCFFFUCDJ-VMPITWQZSA-N 0 0 421.848 2.873 50 0 HFAARN Cc1ccc(NC(=O)C(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1Cl ZINC000252508136 569291441 /nfs/dbraw/zinc/29/14/41/569291441.db2.gz XDSHHNBSBZLRII-UHFFFAOYSA-N 0 0 405.861 2.549 50 0 HFAARN COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007600278 569291557 /nfs/dbraw/zinc/29/15/57/569291557.db2.gz CGGJRPVPLRVEBT-CYBMUJFWSA-N 0 0 409.398 2.794 50 0 HFAARN COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000012892851 569291637 /nfs/dbraw/zinc/29/16/37/569291637.db2.gz NDMPETVSXYERHR-AWEZNQCLSA-N 0 0 413.474 2.807 50 0 biogenic HFAARN C[C@@H]1COCCN1c1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)cc1 ZINC000252512337 569291877 /nfs/dbraw/zinc/29/18/77/569291877.db2.gz PJYWETIMRSHHQY-XUMLPFHTSA-N 0 0 418.563 2.576 50 0 HFAARN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[nH]c1=O ZINC000002465099 569291897 /nfs/dbraw/zinc/29/18/97/569291897.db2.gz NEPLWADOHMETOK-UHFFFAOYSA-N 0 0 419.768 2.689 50 0 HFAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(C)n3C3CC3)ccc21 ZINC000007618020 569295780 /nfs/dbraw/zinc/29/57/80/569295780.db2.gz WXQRBALLGLZXBV-UHFFFAOYSA-N 0 0 406.533 2.609 50 0 HFAARN COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1O ZINC000007616085 569295913 /nfs/dbraw/zinc/29/59/13/569295913.db2.gz PMIPFHJUUDRHFV-HNNXBMFYSA-N 0 0 406.460 2.529 50 0 HFAARN CC(C)(C)OC(=O)NCCc1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000002206501 569296714 /nfs/dbraw/zinc/29/67/14/569296714.db2.gz LCNHYPIYJVENTI-UHFFFAOYSA-N 0 0 401.872 2.764 50 0 HFAARN Cc1ccc(S(=O)(=O)/N=c2\sccn2Cc2ccc(C(=O)NC3CC3)o2)cc1 ZINC000037437263 569299365 /nfs/dbraw/zinc/29/93/65/569299365.db2.gz SAZQVQJJMMJZCY-VZCXRCSSSA-N 0 0 417.512 2.681 50 0 HFAARN CCCN(C(=O)c1ccc(CC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000007687738 569300724 /nfs/dbraw/zinc/30/07/24/569300724.db2.gz FTUJOTSIQDADLX-UHFFFAOYSA-N 0 0 406.486 2.786 50 0 HFAARN Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccc(F)c(F)c2)c1C ZINC000007728330 569303612 /nfs/dbraw/zinc/30/36/12/569303612.db2.gz CLWFVEPWEHWLLM-UHFFFAOYSA-N 0 0 404.460 2.633 50 0 HFAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1)c1ccccc1F ZINC000037524878 569303896 /nfs/dbraw/zinc/30/38/96/569303896.db2.gz ZWJZLECQCOBMJV-UHFFFAOYSA-N 0 0 411.477 2.697 50 0 HFAARN CCN(C)C(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037524964 569304031 /nfs/dbraw/zinc/30/40/31/569304031.db2.gz WYLLMXBJMWUYDP-UHFFFAOYSA-N 0 0 419.522 2.865 50 0 HFAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000007735480 569304574 /nfs/dbraw/zinc/30/45/74/569304574.db2.gz NBQBRGBAWMRFNB-NRFANRHFSA-N 0 0 412.515 2.986 50 0 HFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000007736361 569304910 /nfs/dbraw/zinc/30/49/10/569304910.db2.gz KWBZBYKYWQFIMF-OAHLLOKOSA-N 0 0 419.455 2.863 50 0 HFAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(CC(C)C)c(=O)n2-c1ccccc1Cl ZINC000037558881 569306597 /nfs/dbraw/zinc/30/65/97/569306597.db2.gz MZFKVLSKAIOXMJ-ZDUSSCGKSA-N 0 0 418.881 2.782 50 0 HFAARN COc1cccc(-n2c3ncn(Cc4cccc(F)c4)c3c(=O)n(CC3CC3)c2=O)c1 ZINC000037559408 569306681 /nfs/dbraw/zinc/30/66/81/569306681.db2.gz XANYPAAHGRNYGO-UHFFFAOYSA-N 0 0 420.444 2.955 50 0 HFAARN CCOCCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 ZINC000002210747 569307175 /nfs/dbraw/zinc/30/71/75/569307175.db2.gz GRSMYPGVZKKIKD-UHFFFAOYSA-N 0 0 403.508 2.655 50 0 HFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000037570612 569307453 /nfs/dbraw/zinc/30/74/53/569307453.db2.gz IUFBZWSIWVINHI-OAHLLOKOSA-N 0 0 417.259 2.847 50 0 HFAARN Cc1c(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)sc2nc3n(c(=O)c12)CCC3 ZINC000007769485 569308253 /nfs/dbraw/zinc/30/82/53/569308253.db2.gz BEITXVPNLGYEHT-ZDUSSCGKSA-N 0 0 405.520 2.903 50 0 HFAARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007772142 569308401 /nfs/dbraw/zinc/30/84/01/569308401.db2.gz LJRMZXLQSVFQBU-LLVKDONJSA-N 0 0 410.211 2.871 50 0 HFAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000007779266 569309124 /nfs/dbraw/zinc/30/91/24/569309124.db2.gz VVJKEDCKCAWSCO-XMMPIXPASA-N 0 0 418.497 2.770 50 0 HFAARN CC1(C)OC[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2O1 ZINC000252630851 569312458 /nfs/dbraw/zinc/31/24/58/569312458.db2.gz VEVTXBCHDVXHON-WCIQWLHISA-N 0 0 412.438 2.988 50 0 HFAARN COc1ccc(NC(=O)COc2ccccc2O)cc1S(=O)(=O)N1CCCCC1 ZINC000007814360 569312560 /nfs/dbraw/zinc/31/25/60/569312560.db2.gz YSFCAXDTAHGDLJ-UHFFFAOYSA-N 0 0 420.487 2.593 50 0 HFAARN COc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1OC ZINC000002220827 569312888 /nfs/dbraw/zinc/31/28/88/569312888.db2.gz PMPZPAZZXGGSDL-GRSHGNNSSA-N 0 0 419.462 2.811 50 0 HFAARN Cc1ccc(CN(C)C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1 ZINC000007822829 569312984 /nfs/dbraw/zinc/31/29/84/569312984.db2.gz GVYFGRZHGSYYFQ-UHFFFAOYSA-N 0 0 403.500 2.669 50 0 HFAARN CCOc1cc(Br)c(CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OCC ZINC000007836671 569313999 /nfs/dbraw/zinc/31/39/99/569313999.db2.gz INUCMPGFNIHZGZ-UHFFFAOYSA-N 0 0 413.268 2.946 50 0 HFAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007842235 569314121 /nfs/dbraw/zinc/31/41/21/569314121.db2.gz MOVSHSIGGNTQHH-UHFFFAOYSA-N 0 0 423.579 2.546 50 0 HFAARN Cc1ccc(C(=O)NCCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000007881155 569315172 /nfs/dbraw/zinc/31/51/72/569315172.db2.gz RKZAQAGISKADIZ-UHFFFAOYSA-N 0 0 420.556 2.538 50 0 HFAARN C[C@H]1Oc2ccccc2C=C1C=c1sc2nc(=O)c(-c3ccccc3)nn2c1=O ZINC000252676341 569319573 /nfs/dbraw/zinc/31/95/73/569319573.db2.gz WUZBBLUNBQBODL-CYBMUJFWSA-N 0 0 401.447 2.542 50 0 HFAARN COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000003557378 569321116 /nfs/dbraw/zinc/32/11/16/569321116.db2.gz XCCDOMYKVXBFIK-RZMWGWOTSA-N 0 0 412.511 2.853 50 0 HFAARN CCc1nnc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2C)s1 ZINC000002720105 569322368 /nfs/dbraw/zinc/32/23/68/569322368.db2.gz IZHTUTATYLUCBE-UHFFFAOYSA-N 0 0 400.489 2.560 50 0 HFAARN COc1ccc([C@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(OC)c1 ZINC000007923329 569327323 /nfs/dbraw/zinc/32/73/23/569327323.db2.gz FKLIZMJTYIMMIK-ZIFCJYIRSA-N 0 0 414.502 2.933 50 0 HFAARN COCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000253387482 569364868 /nfs/dbraw/zinc/36/48/68/569364868.db2.gz WHBNDQWQXQPIKV-LEAZDLGRSA-N 0 0 422.506 2.853 50 0 HFAARN COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2n(C)c1=O ZINC000253407073 569366089 /nfs/dbraw/zinc/36/60/89/569366089.db2.gz JMYJIBYHWQWWAM-CQSZACIVSA-N 0 0 411.410 2.676 50 0 biogenic HFAARN COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc2ccccc2c(=O)c1O ZINC000253409447 569366364 /nfs/dbraw/zinc/36/63/64/569366364.db2.gz LVTCBDJKHPDSSL-CQSZACIVSA-N 0 0 412.394 2.973 50 0 biogenic HFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 ZINC000253410920 569366565 /nfs/dbraw/zinc/36/65/65/569366565.db2.gz NYCIXQRVEYXLSB-LTMIRXACSA-N 0 0 413.518 2.779 50 0 biogenic HFAARN O=C(CCNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1 ZINC000002465375 569367080 /nfs/dbraw/zinc/36/70/80/569367080.db2.gz LNHDNTAOYXXBJD-UHFFFAOYSA-N 0 0 421.313 2.635 50 0 HFAARN Cc1ccccc1O[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253430468 569368897 /nfs/dbraw/zinc/36/88/97/569368897.db2.gz ZPPJAAMIFVMJJR-WMZOPIPTSA-N 0 0 410.470 2.912 50 0 HFAARN C[C@H]1[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000253431303 569369733 /nfs/dbraw/zinc/36/97/33/569369733.db2.gz PEQMJYUIJFBMBN-BBRMVZONSA-N 0 0 407.392 2.942 50 0 HFAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCCCC3)C2=O)cc1OC ZINC000002350446 569381275 /nfs/dbraw/zinc/38/12/75/569381275.db2.gz NDSDHCPCUMTHEO-XMMPIXPASA-N 0 0 424.497 2.954 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000253483639 569381651 /nfs/dbraw/zinc/38/16/51/569381651.db2.gz YEZYTFZXAVIDAH-BOFPYLFWSA-N 0 0 400.479 2.663 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N=c1sccn1C ZINC000253618288 569383219 /nfs/dbraw/zinc/38/32/19/569383219.db2.gz NXVTZVBIASWRRF-KRWDZBQOSA-N 0 0 403.529 2.670 50 0 HFAARN CCOC(=O)C(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)OCC ZINC000002358607 569385576 /nfs/dbraw/zinc/38/55/76/569385576.db2.gz AJAVYZJULCPWEB-UHFFFAOYSA-N 0 0 412.467 2.973 50 0 HFAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2ccc(-c3ccccc3F)o2)C1=O ZINC000252509637 569387829 /nfs/dbraw/zinc/38/78/29/569387829.db2.gz YSTRBKKPQNSVLW-LLVKDONJSA-N 0 0 400.362 2.686 50 0 HFAARN O=C(CCn1nnc2ccccc2c1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253413899 569389041 /nfs/dbraw/zinc/38/90/41/569389041.db2.gz VYIXBOXKPDKUGV-QFIPXVFZSA-N 0 0 424.464 2.964 50 0 HFAARN COc1cc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)ccc1OC(C)=O ZINC000002376460 569389440 /nfs/dbraw/zinc/38/94/40/569389440.db2.gz ZERSIOQBBHKLBU-WQRHYEAKSA-N 0 0 407.451 2.608 50 0 HFAARN CCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccccc3)nn2c1=O ZINC000002376505 569389518 /nfs/dbraw/zinc/38/95/18/569389518.db2.gz MVASNONONMJORK-HMMYKYKNSA-N 0 0 419.506 2.829 50 0 HFAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3nnc(CC(C)C)s3)CC2=O)c1 ZINC000008268915 569389760 /nfs/dbraw/zinc/38/97/60/569389760.db2.gz TWIVKLCDPULZNC-GFCCVEGCSA-N 0 0 404.492 2.745 50 0 HFAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc1OC ZINC000002409112 569396459 /nfs/dbraw/zinc/39/64/59/569396459.db2.gz MNOJCFKRZJZODZ-UHFFFAOYSA-N 0 0 403.439 2.546 50 0 HFAARN O=C(COc1ccc2ccccc2c1)NC1=NN2C(=NC(=O)C[C@@H]2c2ccccc2)N1 ZINC000002410319 569396691 /nfs/dbraw/zinc/39/66/91/569396691.db2.gz WDJSJTBBNGRWGZ-LJQANCHMSA-N 0 0 413.437 2.539 50 0 HFAARN O=c1/c(=C\c2cccc3ccccc23)sc2nc(=O)c(Cc3ccc(F)cc3)nn12 ZINC000002413606 569397175 /nfs/dbraw/zinc/39/71/75/569397175.db2.gz QOOPPOOBCRDVPR-DEDYPNTBSA-N 0 0 415.449 2.942 50 0 HFAARN CC(C)OCCCNC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002418143 569397453 /nfs/dbraw/zinc/39/74/53/569397453.db2.gz JNNGQDUOBFAJRV-HNNXBMFYSA-N 0 0 411.506 2.891 50 0 HFAARN C[C@@H](NC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010966124 569397672 /nfs/dbraw/zinc/39/76/72/569397672.db2.gz BSXHFNLFXTYTBA-CYBMUJFWSA-N 0 0 408.907 2.741 50 0 HFAARN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000007946157 569402849 /nfs/dbraw/zinc/40/28/49/569402849.db2.gz NMSQJJZQTAIFLK-AWEZNQCLSA-N 0 0 408.501 2.574 50 0 HFAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@H]12 ZINC000012890700 569404568 /nfs/dbraw/zinc/40/45/68/569404568.db2.gz WPBZOXULLMVBCB-QIMOSOQYSA-N 0 0 418.449 2.719 50 0 biogenic HFAARN O=C(c1ccc(F)cn1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 ZINC000328589785 569414742 /nfs/dbraw/zinc/41/47/42/569414742.db2.gz CKVVDMVXRIQILW-UHFFFAOYSA-N 0 0 416.254 2.822 50 0 HFAARN O=C(c1ccccc1OC(F)F)N1CCC[C@H](C(=O)N2[C@@H]3CC[C@H]2CC(=O)C3)C1 ZINC000328592113 569415286 /nfs/dbraw/zinc/41/52/86/569415286.db2.gz UXJMDXRTXBNUSI-SOUVJXGZSA-N 0 0 406.429 2.863 50 0 HFAARN C[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000078742948 569420138 /nfs/dbraw/zinc/42/01/38/569420138.db2.gz ZYXSFBVBGHLVCB-KVJIRVJXSA-N 0 0 424.497 2.747 50 0 HFAARN CC(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)[C@H](C)CN3CCOCC3)ccc21 ZINC000078743494 569420255 /nfs/dbraw/zinc/42/02/55/569420255.db2.gz MECGBBLBRMKMBX-LJQANCHMSA-N 0 0 421.541 2.959 50 0 HFAARN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc2c(c(Cl)c1)OCO2 ZINC000078870195 569421079 /nfs/dbraw/zinc/42/10/79/569421079.db2.gz KIDLLZJXYJWVJH-GFCCVEGCSA-N 0 0 423.878 2.755 50 0 HFAARN O=C(c1cccc2c1OCO2)N1C[C@@H]2CCCN(C(=O)c3cccc4c3OCO4)[C@@H]2C1 ZINC000078878756 569421286 /nfs/dbraw/zinc/42/12/86/569421286.db2.gz NHLPAXVTFDPQHM-WMLDXEAASA-N 0 0 422.437 2.521 50 0 HFAARN CCn1c(=O)[nH]c2cc(C(=O)N3C[C@@H](c4cc(C)ccc4C)OC[C@@H]3C)ccc2c1=O ZINC000078877696 569421296 /nfs/dbraw/zinc/42/12/96/569421296.db2.gz QCCJQHDMJZVMOF-KKSFZXQISA-N 0 0 421.497 2.929 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2CC(=O)OC)c1 ZINC000078974725 569422682 /nfs/dbraw/zinc/42/26/82/569422682.db2.gz DBCZJNVGRWIXSE-UHFFFAOYSA-N 0 0 418.515 2.993 50 0 HFAARN Cc1cc(=O)n2nc(NC(=O)C3(c4cccc(Br)c4)CC3)sc2n1 ZINC000078994986 569423067 /nfs/dbraw/zinc/42/30/67/569423067.db2.gz AKDXVLAUUKNHMI-UHFFFAOYSA-N 0 0 405.277 2.892 50 0 HFAARN CC(C)N(C(=O)CN(c1ccccc1Br)S(=O)(=O)N(C)C)C(C)C ZINC000079016356 569423878 /nfs/dbraw/zinc/42/38/78/569423878.db2.gz QFWHGAZDHJJJLU-UHFFFAOYSA-N 0 0 420.373 2.707 50 0 HFAARN CC(C)(C)c1nc(CS(=O)(=O)c2nnc(C3CC3)n2Cc2ccccc2)no1 ZINC000079024186 569424563 /nfs/dbraw/zinc/42/45/63/569424563.db2.gz MWJFMJARYDDUSS-UHFFFAOYSA-N 0 0 401.492 2.858 50 0 HFAARN Cc1nccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000079048542 569425298 /nfs/dbraw/zinc/42/52/98/569425298.db2.gz PXNFDEHDSFDNAH-AWEZNQCLSA-N 0 0 410.499 2.506 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3[nH]nc(C4CC4)c3Cl)CC2)c1 ZINC000079074523 569426970 /nfs/dbraw/zinc/42/69/70/569426970.db2.gz UBZQGCMEHXEGEG-UHFFFAOYSA-N 0 0 422.938 2.704 50 0 HFAARN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1ccc(C)[nH]c1=O ZINC000079096606 569427220 /nfs/dbraw/zinc/42/72/20/569427220.db2.gz BXAAGJLYXTYIRN-UHFFFAOYSA-N 0 0 403.382 2.661 50 0 HFAARN Cc1cnn(-c2ccc(S(=O)(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2F)c1 ZINC000079098301 569427329 /nfs/dbraw/zinc/42/73/29/569427329.db2.gz UACRPTGTAHNFAT-OAQYLSRUSA-N 0 0 414.506 2.997 50 0 HFAARN CNS(=O)(=O)Cc1ccc(CNc2nc(C)nc3c2cnn3C(C)(C)C)cc1 ZINC000079109314 569427859 /nfs/dbraw/zinc/42/78/59/569427859.db2.gz XPJICXUAGRHIHV-UHFFFAOYSA-N 0 0 402.524 2.551 50 0 HFAARN NC(=O)c1cccc(Oc2ccc(NC(=O)COc3ccc4c(c3)OCO4)cn2)c1 ZINC000079481455 569431813 /nfs/dbraw/zinc/43/18/13/569431813.db2.gz WEXCVXYXKSCDFQ-UHFFFAOYSA-N 0 0 407.382 2.719 50 0 HFAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079485434 569432069 /nfs/dbraw/zinc/43/20/69/569432069.db2.gz HKKKWWYCDHFXJP-BTYIYWSLSA-N 0 0 401.894 2.717 50 0 HFAARN Cc1cc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000079495468 569432748 /nfs/dbraw/zinc/43/27/48/569432748.db2.gz ZUXLWGOSPHVLQN-QGZVFWFLSA-N 0 0 417.531 2.836 50 0 HFAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc2c(c1)OCO2)CO3 ZINC000019882440 569433116 /nfs/dbraw/zinc/43/31/16/569433116.db2.gz DPYPWVAZZKVNCT-UHFFFAOYSA-N 0 0 423.421 2.898 50 0 biogenic HFAARN COc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000008488146 571055426 /nfs/dbraw/zinc/05/54/26/571055426.db2.gz AQSRSPFGMSNEAB-UHFFFAOYSA-N 0 0 407.455 2.848 50 0 HFAARN CC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000008489299 571055795 /nfs/dbraw/zinc/05/57/95/571055795.db2.gz PSTYXCBPDVAWPK-GASCZTMLSA-N 0 0 416.499 2.939 50 0 HFAARN CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(F)ccc2Cl)c(=O)c1=O ZINC000067256751 571056510 /nfs/dbraw/zinc/05/65/10/571056510.db2.gz PSYBZFWDTGUUFB-UHFFFAOYSA-N 0 0 417.824 2.829 50 0 HFAARN Cc1ccc(-n2c(=O)nc3nc(NCc4ccc5c(c4)OCO5)[nH]cc-3c2=O)c(C)c1 ZINC000067263926 571062161 /nfs/dbraw/zinc/06/21/61/571062161.db2.gz HSIXBHHLRKIKBQ-UHFFFAOYSA-N 0 0 417.425 2.839 50 0 HFAARN Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO ZINC000067300133 571073568 /nfs/dbraw/zinc/07/35/68/571073568.db2.gz PLKPJPQZDFBZES-UHFFFAOYSA-N 0 0 411.889 2.723 50 0 HFAARN COc1cccc([C@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)c1 ZINC000067300426 571073598 /nfs/dbraw/zinc/07/35/98/571073598.db2.gz MWDRYXWIDUNNTG-INIZCTEOSA-N 0 0 421.497 2.640 50 0 HFAARN COc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)cc1 ZINC000067300397 571073652 /nfs/dbraw/zinc/07/36/52/571073652.db2.gz RTZGVPSJCIIWBY-MRXNPFEDSA-N 0 0 421.497 2.640 50 0 HFAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)c1 ZINC000067300289 571073667 /nfs/dbraw/zinc/07/36/67/571073667.db2.gz OTIJWOVZUJDYIM-UHFFFAOYSA-N 0 0 405.454 2.595 50 0 HFAARN CCN(C(=O)Cn1c(=O)c(CCO)c(C)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000067300861 571073915 /nfs/dbraw/zinc/07/39/15/571073915.db2.gz FRTWLNDAOTXMFY-UHFFFAOYSA-N 0 0 409.461 2.946 50 0 HFAARN Cc1ccc(F)cc1-n1ccn(CC(=O)NCc2ccc(F)c(Cl)c2)c(=O)c1=O ZINC000067320435 571077290 /nfs/dbraw/zinc/07/72/90/571077290.db2.gz DCWBYPSZSWCSNL-UHFFFAOYSA-N 0 0 419.815 2.556 50 0 HFAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000067322807 571078332 /nfs/dbraw/zinc/07/83/32/571078332.db2.gz FSUPRFWOHLHLNM-UHFFFAOYSA-N 0 0 407.430 2.823 50 0 HFAARN COc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1 ZINC000067335811 571079669 /nfs/dbraw/zinc/07/96/69/571079669.db2.gz CQYNTWWHCPUMLP-UHFFFAOYSA-N 0 0 423.498 2.761 50 0 HFAARN CC(=O)N1c2ccccc2NC(=C2C(=O)N(C)C(=O)N(C)C2=O)C[C@H]1c1ccccc1 ZINC000008555133 571079671 /nfs/dbraw/zinc/07/96/71/571079671.db2.gz RREJWYNVSCRCDE-IBGZPJMESA-N 0 0 418.453 2.901 50 0 HFAARN CCc1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(OC)cc3)CCC2=O)c1 ZINC000067336708 571080122 /nfs/dbraw/zinc/08/01/22/571080122.db2.gz XJDOHFAITCALSQ-UHFFFAOYSA-N 0 0 408.458 2.813 50 0 HFAARN CC1CCN(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)CC1 ZINC000008583433 571082686 /nfs/dbraw/zinc/08/26/86/571082686.db2.gz XVLASUYEKNGJMX-UHFFFAOYSA-N 0 0 413.971 2.645 50 0 HFAARN 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523110361 /nfs/dbraw/zinc/11/03/61/523110361.db2.gz ZOIFMCZYRLNCDQ-UHFFFAOYSA-N 0 0 418.563 2.600 50 0 HFAARN COc1ccc(-c2cc3n(n2)CCN(CC(=O)NCCc2cccc(C)c2)C3=O)cc1 ZINC000040451158 523121470 /nfs/dbraw/zinc/12/14/70/523121470.db2.gz QGVFRLJABDUMEM-UHFFFAOYSA-N 0 0 418.497 2.682 50 0 HFAARN COc1ccc(-c2csc(NC(=O)Cn3nnc4ccccc4c3=O)n2)cc1OC ZINC000032810769 523166296 /nfs/dbraw/zinc/16/62/96/523166296.db2.gz SNSFNLGYOPZCGS-UHFFFAOYSA-N 0 0 423.454 2.571 50 0 HFAARN COCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000031813142 523253033 /nfs/dbraw/zinc/25/30/33/523253033.db2.gz AEQALVWHGRTFME-MRVPVSSYSA-N 0 0 401.275 2.983 50 0 HFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O ZINC000044841145 523496885 /nfs/dbraw/zinc/49/68/85/523496885.db2.gz NHTLQCAYNBBKIB-UHFFFAOYSA-N 0 0 409.486 2.962 50 0 HFAARN CN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000020568060 523637422 /nfs/dbraw/zinc/63/74/22/523637422.db2.gz PAGVDNHRPQDOLW-UHFFFAOYSA-N 0 0 409.467 2.863 50 0 HFAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC ZINC000032926610 523722155 /nfs/dbraw/zinc/72/21/55/523722155.db2.gz NWLFNISZAPOAFQ-LBPRGKRZSA-N 0 0 408.476 2.575 50 0 HFAARN COc1ccc(C(=O)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC ZINC000032926612 523735280 /nfs/dbraw/zinc/73/52/80/523735280.db2.gz NWLFNISZAPOAFQ-GFCCVEGCSA-N 0 0 408.476 2.575 50 0 HFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000008767878 523777779 /nfs/dbraw/zinc/77/77/79/523777779.db2.gz VPJAKRLTEKEMCO-NCYKPQTJSA-N 0 0 415.449 2.601 50 0 HFAARN COc1ccc(C)cc1CC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000032845697 523804109 /nfs/dbraw/zinc/80/41/09/523804109.db2.gz IIWCMMYMODXLRZ-UHFFFAOYSA-N 0 0 404.532 2.690 50 0 HFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F ZINC000040287919 523893420 /nfs/dbraw/zinc/89/34/20/523893420.db2.gz RWDRNZDLDDQQNZ-HKUYNNGSSA-N 0 0 418.469 2.802 50 0 HFAARN COc1ccc(CCCN(C)C(=O)CCn2ncc(=O)c3ccccc32)cc1OC ZINC000032820823 523933717 /nfs/dbraw/zinc/93/37/17/523933717.db2.gz JQXSTDWTRWHPHI-UHFFFAOYSA-N 0 0 409.486 2.895 50 0 HFAARN CCc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CC2=O)cc1 ZINC000032784248 523964714 /nfs/dbraw/zinc/96/47/14/523964714.db2.gz BTSJQQNLDSNRDB-LJQANCHMSA-N 0 0 420.513 2.978 50 0 HFAARN COc1ccc(CCNC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1 ZINC000032123823 523972967 /nfs/dbraw/zinc/97/29/67/523972967.db2.gz QPADHUXFHDPGSA-UHFFFAOYSA-N 0 0 407.470 2.990 50 0 biogenic HFAARN COc1ccc(CNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000020574357 524055693 /nfs/dbraw/zinc/05/56/93/524055693.db2.gz VDMPFPIMPFDQSS-UHFFFAOYSA-N 0 0 408.389 2.516 50 0 HFAARN CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000025500019 524058130 /nfs/dbraw/zinc/05/81/30/524058130.db2.gz CXKPIYHHUVAUBH-UHFFFAOYSA-N 0 0 412.511 2.862 50 0 HFAARN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000032806116 524155209 /nfs/dbraw/zinc/15/52/09/524155209.db2.gz LKEIFNAAYSMLKR-NRFANRHFSA-N 0 0 422.573 2.907 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COc1ccc(OC)c2c1CN(c1cnn(-c3ccccc3)c(=O)c1Cl)C[C@@H]2O ZINC000032808472 524922864 /nfs/dbraw/zinc/92/28/64/524922864.db2.gz BQOMLFSBQJSHAO-INIZCTEOSA-N 0 0 413.861 2.957 50 0 HFAARN C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000032889239 524930296 /nfs/dbraw/zinc/93/02/96/524930296.db2.gz ZUQXJSDWDADDPC-AWEZNQCLSA-N 0 0 422.478 2.833 50 0 HFAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1 ZINC000032911144 524979358 /nfs/dbraw/zinc/97/93/58/524979358.db2.gz YBSULGUNJDYSIC-UHFFFAOYSA-N 0 0 421.429 2.589 50 0 HFAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)NCc2ccccc2)n1 ZINC000021911130 525012946 /nfs/dbraw/zinc/01/29/46/525012946.db2.gz YGAXGHOQIMQSBR-UHFFFAOYSA-N 0 0 405.483 2.802 50 0 HFAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)c(C)c1 ZINC000045970625 525105449 /nfs/dbraw/zinc/10/54/49/525105449.db2.gz UVMJGSXIIPBAPS-UHFFFAOYSA-N 0 0 415.544 2.662 50 0 HFAARN COc1ccc([C@@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 ZINC000019879805 525211891 /nfs/dbraw/zinc/21/18/91/525211891.db2.gz HPLZXCRXCCUTOE-LEWJYISDSA-N 0 0 416.543 2.714 50 0 HFAARN C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@]21OCO[C@]12COCO2 ZINC000252693628 525340804 /nfs/dbraw/zinc/34/08/04/525340804.db2.gz FHTMINSWFXHFIA-NGDPCPQLSA-N 0 0 404.459 2.683 50 0 biogenic HFAARN C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1nnc(C2CC2)s1 ZINC000032809294 525344086 /nfs/dbraw/zinc/34/40/86/525344086.db2.gz HORVHNDPAVDLIG-HXUWFJFHSA-N 0 0 411.487 2.743 50 0 HFAARN C[C@@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2CCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC000390832782 525367166 /nfs/dbraw/zinc/36/71/66/525367166.db2.gz OBZGPRAZJGLWRD-IUSZMWJPSA-N 0 0 405.495 2.551 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000031816938 525433338 /nfs/dbraw/zinc/43/33/38/525433338.db2.gz FARVTBFDMNUJIM-UHFFFAOYSA-N 0 0 419.481 2.775 50 0 HFAARN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000032853798 525578837 /nfs/dbraw/zinc/57/88/37/525578837.db2.gz GXFZKBAISOZBFN-CYBMUJFWSA-N 0 0 420.922 2.632 50 0 HFAARN Cc1ccc(-c2cc(CS(=O)(=O)N3CCN(c4nccs4)CC3)on2)cc1 ZINC000032916626 525734362 /nfs/dbraw/zinc/73/43/62/525734362.db2.gz JBNVBJNEFZWAMN-UHFFFAOYSA-N 0 0 404.517 2.759 50 0 HFAARN Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc4c(c2)OCCO4)C(=O)N3)cc1 ZINC000031815588 525828196 /nfs/dbraw/zinc/82/81/96/525828196.db2.gz CGPRHPVPNRNBRQ-HNNXBMFYSA-N 0 0 405.414 2.547 50 0 HFAARN C[C@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)N1CCCc2ccccc21 ZINC000032910890 525892907 /nfs/dbraw/zinc/89/29/07/525892907.db2.gz KPGOPHPPMHJYMU-HNNXBMFYSA-N 0 0 406.438 2.865 50 0 HFAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009507364 525931675 /nfs/dbraw/zinc/93/16/75/525931675.db2.gz UUAITHMWDPVPFU-AWEZNQCLSA-N 0 0 424.906 2.767 50 0 HFAARN C[C@@H](SCc1nc(N)nc(N(C)C)n1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000032854149 525980024 /nfs/dbraw/zinc/98/00/24/525980024.db2.gz WLOBRIPVVQUCSF-OAHLLOKOSA-N 0 0 414.579 2.623 50 0 HFAARN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)cc1C ZINC000032928203 526039831 /nfs/dbraw/zinc/03/98/31/526039831.db2.gz BADJFWJVXQUYCU-INIZCTEOSA-N 0 0 419.485 2.823 50 0 HFAARN CSc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1C(=O)N1CCOCC1 ZINC000072442477 526054136 /nfs/dbraw/zinc/05/41/36/526054136.db2.gz QCHKRDOHUPTSED-UHFFFAOYSA-N 0 0 410.561 2.660 50 0 HFAARN COc1cccc(CO[C@H](C)C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000042859150 526056217 /nfs/dbraw/zinc/05/62/17/526056217.db2.gz MOLQCDRSCCWXHY-OAHLLOKOSA-N 0 0 401.463 2.774 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000032971723 526293227 /nfs/dbraw/zinc/29/32/27/526293227.db2.gz OMDZMAPAGJCDOB-CQSZACIVSA-N 0 0 412.515 2.687 50 0 HFAARN O=C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2ccccn2)CC1 ZINC000044443546 526305665 /nfs/dbraw/zinc/30/56/65/526305665.db2.gz MPLXGVIFLHBQIH-UHFFFAOYSA-N 0 0 404.518 2.519 50 0 HFAARN Cc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 ZINC000040287702 526366497 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50 0 HFAARN CC(C)(C)c1nc2cc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)ccc2[nH]1 ZINC000030607606 558734000 /nfs/dbraw/zinc/73/40/00/558734000.db2.gz QEHOFQXTFDTUMP-SFHVURJKSA-N 0 0 404.474 2.919 50 0 HFAARN COc1ccc(NC(=O)Cn2ccn(-c3cccc4ccccc43)c(=O)c2=O)cc1 ZINC000004570022 558734659 /nfs/dbraw/zinc/73/46/59/558734659.db2.gz SBOWAZUDOPUKEV-UHFFFAOYSA-N 0 0 401.422 2.800 50 0 HFAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CNC(=O)c1ccccc1Br ZINC000030658783 558735161 /nfs/dbraw/zinc/73/51/61/558735161.db2.gz PQOOPBGQITUBOC-UHFFFAOYSA-N 0 0 401.264 2.714 50 0 HFAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000030775095 558737994 /nfs/dbraw/zinc/73/79/94/558737994.db2.gz WYMFZZRSNMIYKC-GOSISDBHSA-N 0 0 417.481 2.709 50 0 HFAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)c1)[C@@H]1CCCO1 ZINC000030789866 558738098 /nfs/dbraw/zinc/73/80/98/558738098.db2.gz GCUYRMPIDZISLR-MSOLQXFVSA-N 0 0 405.458 2.824 50 0 HFAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)N1CCOCC1 ZINC000032900093 558742006 /nfs/dbraw/zinc/74/20/06/558742006.db2.gz FRFNPKXCBYFZKQ-INIZCTEOSA-N 0 0 403.504 2.509 50 0 HFAARN COc1ccc(-c2nc3n(n2)[C@H](c2cccc(OC)c2OC)C(C(N)=O)=C(C)N3)cc1 ZINC000004574603 558747400 /nfs/dbraw/zinc/74/74/00/558747400.db2.gz YLYZGERHISCVIU-GOSISDBHSA-N 0 0 421.457 2.745 50 0 HFAARN COC(=O)c1cc(NC(=O)Cc2csc(-c3ccccn3)n2)cc(C(=O)OC)c1 ZINC000015658459 558747780 /nfs/dbraw/zinc/74/77/80/558747780.db2.gz QXVRGEARTNNYOF-UHFFFAOYSA-N 0 0 411.439 2.960 50 0 HFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000011074842 558748320 /nfs/dbraw/zinc/74/83/20/558748320.db2.gz MXCADXCAVZDHRR-CYBMUJFWSA-N 0 0 416.428 2.599 50 0 HFAARN COC(=O)c1cc2nc(NCn3nnc4cc(C)ccc43)sc2cc1C(=O)OC ZINC000003109484 558749534 /nfs/dbraw/zinc/74/95/34/558749534.db2.gz JGEZAPSDCDXLDB-UHFFFAOYSA-N 0 0 411.443 2.992 50 0 HFAARN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)C1 ZINC000072301558 558751590 /nfs/dbraw/zinc/75/15/90/558751590.db2.gz MQBCUFJVLHBZRI-RTBURBONSA-N 0 0 418.509 2.968 50 0 HFAARN Cc1ccc2oc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831175 558755233 /nfs/dbraw/zinc/75/52/33/558755233.db2.gz KKMFTHDQUPKIQJ-CQSZACIVSA-N 0 0 401.440 2.524 50 0 HFAARN Cc1ccc2oc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000015831122 558755245 /nfs/dbraw/zinc/75/52/45/558755245.db2.gz HHOBNJVJDQYAAU-QGZVFWFLSA-N 0 0 411.479 2.931 50 0 HFAARN CCc1nnc(NC(=O)CSCc2cc(=O)n3nc(C(C)C)sc3n2)s1 ZINC000015942458 558763292 /nfs/dbraw/zinc/76/32/92/558763292.db2.gz PQIQFWBHVBIHKF-UHFFFAOYSA-N 0 0 410.550 2.560 50 0 HFAARN CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCN3C(C)=O)no1 ZINC000033270258 558763588 /nfs/dbraw/zinc/76/35/88/558763588.db2.gz YAQJMAXLZTWHQV-GOSISDBHSA-N 0 0 419.503 2.898 50 0 HFAARN COc1ccc2cnn(CC(=O)Nc3nc(-c4ccncc4)cs3)c(=O)c2c1OC ZINC000071283739 558765633 /nfs/dbraw/zinc/76/56/33/558765633.db2.gz WGKSATSWUGOEDW-UHFFFAOYSA-N 0 0 423.454 2.571 50 0 HFAARN Cc1cccc(NC(=O)c2c(-c3ccc(Cl)cc3)nc3n2CCS3(=O)=O)n1 ZINC000033320684 558766593 /nfs/dbraw/zinc/76/65/93/558766593.db2.gz IYGHONSWTYYEPK-UHFFFAOYSA-N 0 0 402.863 2.947 50 0 HFAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN23)cc1 ZINC000016038481 558769666 /nfs/dbraw/zinc/76/96/66/558769666.db2.gz VPJAKRLTEKEMCO-XSDIEEQYSA-N 0 0 415.449 2.601 50 0 HFAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O ZINC000016091290 558771499 /nfs/dbraw/zinc/77/14/99/558771499.db2.gz NCOADLGPQOFGPE-OAQYLSRUSA-N 0 0 421.482 2.974 50 0 HFAARN COC(=O)C[C@@H](C)N1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 ZINC000072309333 558773014 /nfs/dbraw/zinc/77/30/14/558773014.db2.gz YTTRRLYCRLYMRH-CQSZACIVSA-N 0 0 402.413 2.614 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000000814464 558774174 /nfs/dbraw/zinc/77/41/74/558774174.db2.gz ADQDKKFZLYNTFC-INIZCTEOSA-N 0 0 422.890 2.975 50 0 HFAARN CN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 ZINC000000881329 558774481 /nfs/dbraw/zinc/77/44/81/558774481.db2.gz SBJAWOIQFAOGGA-UHFFFAOYSA-N 0 0 421.950 2.694 50 0 HFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCc1cccc(F)c1 ZINC000016176952 558775277 /nfs/dbraw/zinc/77/52/77/558775277.db2.gz ZLYIHDIKALEMPJ-UHFFFAOYSA-N 0 0 404.507 2.902 50 0 HFAARN CCCCN1C(=O)c2ccc(C(=O)N(C)c3ccccc3S(C)(=O)=O)cc2C1=O ZINC000072310514 558777493 /nfs/dbraw/zinc/77/74/93/558777493.db2.gz LMBQLOQFXBEKLO-UHFFFAOYSA-N 0 0 414.483 2.763 50 0 HFAARN CNS(=O)(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000016224395 558779272 /nfs/dbraw/zinc/77/92/72/558779272.db2.gz NYJRLAYONVPGHK-UHFFFAOYSA-N 0 0 400.460 2.606 50 0 HFAARN Cc1ccc(S(=O)(=O)NCc2nnc(NC(=O)Cc3ccccc3)s2)cc1 ZINC000022590595 558779502 /nfs/dbraw/zinc/77/95/02/558779502.db2.gz UYFHNYXPMNXGSB-UHFFFAOYSA-N 0 0 402.501 2.506 50 0 HFAARN O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000004652691 558780714 /nfs/dbraw/zinc/78/07/14/558780714.db2.gz YFYAMWVXLARDKX-VBKFSLOCSA-N 0 0 405.248 2.672 50 0 HFAARN Cc1cccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)c1 ZINC000004586360 558783175 /nfs/dbraw/zinc/78/31/75/558783175.db2.gz ROCLCMLFJOKCPA-UHFFFAOYSA-N 0 0 400.500 2.648 50 0 HFAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000034858578 558785456 /nfs/dbraw/zinc/78/54/56/558785456.db2.gz VQGVBTDYQYBJQC-MRXNPFEDSA-N 0 0 421.950 2.524 50 0 HFAARN CC(C)[C@@H](O)CCNC(=O)CSCC(=O)Nc1cccc(Br)c1 ZINC000072311551 558787975 /nfs/dbraw/zinc/78/79/75/558787975.db2.gz APVYZZYPESZNDK-AWEZNQCLSA-N 0 0 403.342 2.644 50 0 HFAARN COc1cccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)c1 ZINC000035405878 558790983 /nfs/dbraw/zinc/79/09/83/558790983.db2.gz IXYOLDUQHWGJEC-UHFFFAOYSA-N 0 0 404.470 2.557 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cc(=O)oc2cc(CC)ccc12 ZINC000016452313 558792642 /nfs/dbraw/zinc/79/26/42/558792642.db2.gz GFMIXCCNJKYUTA-KRWDZBQOSA-N 0 0 407.488 2.603 50 0 HFAARN COC(=O)c1ccnc(-c2cc(C(=O)OC)cc(-c3cc(C(=O)OC)ccn3)n2)c1 ZINC000035654095 558794822 /nfs/dbraw/zinc/79/48/22/558794822.db2.gz YDXTYOYBYASPDS-UHFFFAOYSA-N 0 0 407.382 2.565 50 0 HFAARN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)no1 ZINC000016734811 558802563 /nfs/dbraw/zinc/80/25/63/558802563.db2.gz RAPMAAOISMDRIG-ZDUSSCGKSA-N 0 0 419.393 2.968 50 0 HFAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)C1 ZINC000032975804 558803241 /nfs/dbraw/zinc/80/32/41/558803241.db2.gz MEQQPYWFGLKNHG-HIFRSBDPSA-N 0 0 400.928 2.669 50 0 HFAARN O=C(c1ccc2c(c1)NC(=O)CS2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032983135 558804151 /nfs/dbraw/zinc/80/41/51/558804151.db2.gz YYKLNNAYNGGRTR-MRXNPFEDSA-N 0 0 416.524 2.560 50 0 HFAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000016781160 558806963 /nfs/dbraw/zinc/80/69/63/558806963.db2.gz UAUDGIHPBANFOL-UHFFFAOYSA-N 0 0 402.454 2.794 50 0 HFAARN COc1ccc(NC(=O)c2nnc(COCC(=O)NCc3ccccc3)s2)cc1 ZINC000032987351 558807197 /nfs/dbraw/zinc/80/71/97/558807197.db2.gz VPJXOIBDROKZOU-UHFFFAOYSA-N 0 0 412.471 2.632 50 0 HFAARN O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCc1ccccc1F ZINC000032987746 558807571 /nfs/dbraw/zinc/80/75/71/558807571.db2.gz PEFYZSWSGORKDV-UHFFFAOYSA-N 0 0 418.425 2.902 50 0 HFAARN CSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000016833345 558807959 /nfs/dbraw/zinc/80/79/59/558807959.db2.gz XWUMGZRJSWTHGB-UHFFFAOYSA-N 0 0 422.528 2.877 50 0 HFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Oc1ccc3ccc(=O)oc3c1)C2=O ZINC000032990809 558808776 /nfs/dbraw/zinc/80/87/76/558808776.db2.gz WOGOFWOWPTYQEU-MCMMXHMISA-N 0 0 412.442 2.835 50 0 HFAARN COC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 ZINC000032990862 558809099 /nfs/dbraw/zinc/80/90/99/558809099.db2.gz ZPVGIUCOLAPWSC-UHFFFAOYSA-N 0 0 406.438 2.508 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@@H]1COc2ccccc2O1 ZINC000032996091 558810223 /nfs/dbraw/zinc/81/02/23/558810223.db2.gz NSFPSZNFNFWGIU-IBGZPJMESA-N 0 0 414.439 2.537 50 0 HFAARN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ncc(Br)cc1OC ZINC000038530312 558812305 /nfs/dbraw/zinc/81/23/05/558812305.db2.gz FARCOZLSLVYHLJ-VXGBXAGGSA-N 0 0 415.284 2.976 50 0 HFAARN CCc1cc(-c2nnc(SCC(=O)Nc3ccccc3C(N)=O)n2C)cs1 ZINC000017082257 558814317 /nfs/dbraw/zinc/81/43/17/558814317.db2.gz XFCSXUDMLVPKDK-UHFFFAOYSA-N 0 0 401.517 2.936 50 0 HFAARN COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039468104 558821759 /nfs/dbraw/zinc/82/17/59/558821759.db2.gz NLAGWUMJCNEOBZ-LJQANCHMSA-N 0 0 402.466 2.632 50 0 HFAARN COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1OC ZINC000039544210 558822331 /nfs/dbraw/zinc/82/23/31/558822331.db2.gz NDZIXFTZRHNKQL-HXUWFJFHSA-N 0 0 418.509 2.920 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1C ZINC000017187535 558825292 /nfs/dbraw/zinc/82/52/92/558825292.db2.gz HTCKQGJQAFKINW-UHFFFAOYSA-N 0 0 424.526 2.636 50 0 HFAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)OCC)C2=O)cc1 ZINC000018250338 558834814 /nfs/dbraw/zinc/83/48/14/558834814.db2.gz NOBGEUNIDGHZMI-QZTJIDSGSA-N 0 0 422.547 2.901 50 0 biogenic HFAARN CCOc1cc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)ccc1OC(C)=O ZINC000013514413 558835615 /nfs/dbraw/zinc/83/56/15/558835615.db2.gz CMXJEUXSWCGDFL-UNOMPAQXSA-N 0 0 421.478 2.998 50 0 HFAARN COc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OC ZINC000013523313 558836065 /nfs/dbraw/zinc/83/60/65/558836065.db2.gz HBMVPFWPFFDWFF-UHFFFAOYSA-N 0 0 412.442 2.535 50 0 HFAARN CCC(=O)Nc1nc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc2s1 ZINC000033019983 558836340 /nfs/dbraw/zinc/83/63/40/558836340.db2.gz WWARQABRZVRKRI-UHFFFAOYSA-N 0 0 408.439 2.880 50 0 HFAARN COc1ccc(OC)c(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c1 ZINC000046005017 558838527 /nfs/dbraw/zinc/83/85/27/558838527.db2.gz PYTUBNNAXFSJBQ-UHFFFAOYSA-N 0 0 404.426 2.819 50 0 HFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccc(C)cc2C)CC1 ZINC000013543545 558842542 /nfs/dbraw/zinc/84/25/42/558842542.db2.gz LEQTWGUYZRDBTJ-UHFFFAOYSA-N 0 0 418.607 2.645 50 0 HFAARN CCS(=O)(=O)N1CCCc2cc(C(=O)NCCc3ccc(OC)cc3)ccc21 ZINC000013583976 558845415 /nfs/dbraw/zinc/84/54/15/558845415.db2.gz OTWDIRSNCNFFQE-UHFFFAOYSA-N 0 0 402.516 2.770 50 0 biogenic HFAARN COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019211534 558848493 /nfs/dbraw/zinc/84/84/93/558848493.db2.gz PMSMGLDMLIDQIK-UHFFFAOYSA-N 0 0 420.531 2.527 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C(C)C)s3)n2)c(F)c1 ZINC000049550792 558850164 /nfs/dbraw/zinc/85/01/64/558850164.db2.gz DMSSHUPGWGWOPZ-UHFFFAOYSA-N 0 0 403.439 2.672 50 0 HFAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027967 558851549 /nfs/dbraw/zinc/85/15/49/558851549.db2.gz VKSWZAHVCONBHS-UHFFFAOYSA-N 0 0 424.482 2.842 50 0 HFAARN CCOC(=O)C[C@H]1COCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000019228427 558852997 /nfs/dbraw/zinc/85/29/97/558852997.db2.gz YAVDUDIHXZJAMR-KRWDZBQOSA-N 0 0 402.447 2.591 50 0 HFAARN CN(C)[C@@H](NC(=O)N[C@H](N(C)C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000019229137 558853226 /nfs/dbraw/zinc/85/32/26/558853226.db2.gz NLANSQKZSVQISR-PHDIDXHHSA-N 0 0 408.972 2.801 50 0 HFAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)N3CCC(C(N)=O)CC3)cc1)c2=O ZINC000013693572 558856255 /nfs/dbraw/zinc/85/62/55/558856255.db2.gz HSYAEXPAAYXEOA-UHFFFAOYSA-N 0 0 422.437 2.931 50 0 HFAARN Cc1nnc(NC(=O)CSc2ccc(NC(=O)c3ccc(C)cc3)nn2)s1 ZINC000013701683 558857228 /nfs/dbraw/zinc/85/72/28/558857228.db2.gz XCRRLIWSJUGNBE-UHFFFAOYSA-N 0 0 400.489 2.928 50 0 HFAARN CC(C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036087776 558858086 /nfs/dbraw/zinc/85/80/86/558858086.db2.gz NIWSCHHDBCRSBO-UHFFFAOYSA-N 0 0 406.486 2.704 50 0 HFAARN C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc32)n1 ZINC000068244750 558862952 /nfs/dbraw/zinc/86/29/52/558862952.db2.gz SCGCBAAYLFTIJU-CQSZACIVSA-N 0 0 412.515 2.884 50 0 in-vitro HFAARN CCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1OC ZINC000013749126 558863609 /nfs/dbraw/zinc/86/36/09/558863609.db2.gz RUMHNJXZKGVEIB-PDGQHHTCSA-N 0 0 409.467 2.782 50 0 HFAARN COc1cccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000054147042 558866492 /nfs/dbraw/zinc/86/64/92/558866492.db2.gz GQNGRNMCZGTWLS-UHFFFAOYSA-N 0 0 409.469 2.667 50 0 HFAARN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCCc1ccc(N(C)C)cc1 ZINC000060357855 558869188 /nfs/dbraw/zinc/86/91/88/558869188.db2.gz NHRXUWZOHCRKRS-UHFFFAOYSA-N 0 0 401.532 2.709 50 0 HFAARN COC(=O)c1cc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc(C(=O)OC)c1 ZINC000033089139 558871731 /nfs/dbraw/zinc/87/17/31/558871731.db2.gz YRRXHOADANUFNW-GFCCVEGCSA-N 0 0 420.421 2.944 50 0 HFAARN COCCn1c(CN(C)[C@@H](C)c2cccc(OC)c2)cnc1S(=O)(=O)CC1CC1 ZINC000055226943 558876798 /nfs/dbraw/zinc/87/67/98/558876798.db2.gz OBXGAQNDUYUJRY-INIZCTEOSA-N 0 0 421.563 2.915 50 0 HFAARN COCCN(C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1)C(C)C ZINC000055307580 558878893 /nfs/dbraw/zinc/87/88/93/558878893.db2.gz FDQBCAFJJXARBO-UHFFFAOYSA-N 0 0 404.486 2.633 50 0 HFAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc4c(c3)OCO4)n2)cc1 ZINC000013801141 558882473 /nfs/dbraw/zinc/88/24/73/558882473.db2.gz CPHQGDCBSKPSJQ-UHFFFAOYSA-N 0 0 421.453 2.533 50 0 HFAARN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000033125259 558883249 /nfs/dbraw/zinc/88/32/49/558883249.db2.gz ZJZTUIGPSSPFNY-QGZVFWFLSA-N 0 0 407.470 2.942 50 0 HFAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)CC1 ZINC000033129738 558885677 /nfs/dbraw/zinc/88/56/77/558885677.db2.gz FWHFYQTVXURNPR-UHFFFAOYSA-N 0 0 419.591 2.827 50 0 HFAARN O=C(CSCc1ccccc1)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000013854799 558887266 /nfs/dbraw/zinc/88/72/66/558887266.db2.gz GNKJUIBICZBVKN-UHFFFAOYSA-N 0 0 411.527 2.815 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2c(C)nn(C)c2C)ccc1OC ZINC000058009688 558894907 /nfs/dbraw/zinc/89/49/07/558894907.db2.gz YDSYOUGSRLMSNQ-CYBMUJFWSA-N 0 0 422.551 2.567 50 0 HFAARN Cc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)c1 ZINC000058012998 558895124 /nfs/dbraw/zinc/89/51/24/558895124.db2.gz IHNTWIYQEZAMGF-YKSBVNFPSA-N 0 0 408.498 2.999 50 0 HFAARN COCCn1cc(NC(=O)NCCCc2nnc(SC)n2C2CCCC2)cn1 ZINC000058014331 558895304 /nfs/dbraw/zinc/89/53/04/558895304.db2.gz WZVGXSASIKTPPP-UHFFFAOYSA-N 0 0 407.544 2.712 50 0 HFAARN C[C@H](C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)n1cnc2ccccc21 ZINC000058054826 558897039 /nfs/dbraw/zinc/89/70/39/558897039.db2.gz YHBZCEJVYHYKCW-QRQCRPRQSA-N 0 0 405.458 2.572 50 0 HFAARN Cc1nc(-c2cccc(NC(=O)NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)c2)cs1 ZINC000058067115 558897789 /nfs/dbraw/zinc/89/77/89/558897789.db2.gz DQPJWTWQWWJMSU-XLIONFOSSA-N 0 0 416.547 2.977 50 0 HFAARN Cc1c(Cl)cccc1-n1c(=O)c2c[nH]nc2nc1SCC(=O)N1CCCC1 ZINC000004687706 558898641 /nfs/dbraw/zinc/89/86/41/558898641.db2.gz OUXAJZKYCSBQON-UHFFFAOYSA-N 0 0 403.895 2.785 50 0 HFAARN O=C(CCN1C(=O)COc2ccccc21)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000058155258 558902907 /nfs/dbraw/zinc/90/29/07/558902907.db2.gz SIKQCEDBKNPAIX-MRXNPFEDSA-N 0 0 424.375 2.551 50 0 HFAARN CCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC(C)C ZINC000033170735 558903994 /nfs/dbraw/zinc/90/39/94/558903994.db2.gz HVVRWXDHSRRBSD-UHFFFAOYSA-N 0 0 412.511 2.921 50 0 HFAARN CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000058160466 558905110 /nfs/dbraw/zinc/90/51/10/558905110.db2.gz LBJXXQKWLZXPDN-UHFFFAOYSA-N 0 0 422.529 2.738 50 0 HFAARN COc1ccc(NC(=O)CN(C)Cc2nc(N)nc(Nc3ccccc3C)n2)cc1 ZINC000058175502 558909472 /nfs/dbraw/zinc/90/94/72/558909472.db2.gz FCPJVHNLHVJRLP-UHFFFAOYSA-N 0 0 407.478 2.585 50 0 HFAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c[nH]nc4c3)cc(C(C)C)nc21 ZINC000058179791 558910081 /nfs/dbraw/zinc/91/00/81/558910081.db2.gz MCRYNOVPYLUXDS-UHFFFAOYSA-N 0 0 420.473 2.993 50 0 HFAARN COc1ccc(CCC(=O)N2CCCN(C(=O)c3cnc4n[nH]c(C)c4c3)CC2)cc1 ZINC000071792352 558912214 /nfs/dbraw/zinc/91/22/14/558912214.db2.gz FVTUBKAKYHNBGE-UHFFFAOYSA-N 0 0 421.501 2.582 50 0 HFAARN C[C@H](C(=O)N(C)CCCOc1ccc(Cl)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000058215299 558912426 /nfs/dbraw/zinc/91/24/26/558912426.db2.gz JFFCHSHFBWCEBT-CQSZACIVSA-N 0 0 407.898 2.820 50 0 HFAARN CC(C)(C)n1ncc2c1nc(NCCNC(=O)c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC000058224701 558913393 /nfs/dbraw/zinc/91/33/93/558913393.db2.gz JLUUJVRYBIQXOI-UHFFFAOYSA-N 0 0 422.411 2.735 50 0 HFAARN COCc1nccc([C@H]2CCCN(C(=O)CCCn3c4ccccc4oc3=O)C2)n1 ZINC000058229580 558913838 /nfs/dbraw/zinc/91/38/38/558913838.db2.gz SHHRPKXSRZBRNU-INIZCTEOSA-N 0 0 410.474 2.717 50 0 HFAARN COc1ccc(CCNC(=O)CN2N=C(c3ccc(C)cc3)CCC2=O)cc1OC ZINC000004708256 558913903 /nfs/dbraw/zinc/91/39/03/558913903.db2.gz FHJMGCJDJXHXPR-UHFFFAOYSA-N 0 0 409.486 2.698 50 0 HFAARN COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000019537320 558913987 /nfs/dbraw/zinc/91/39/87/558913987.db2.gz OWMXADUBWMSRTC-UHFFFAOYSA-N 0 0 400.475 2.759 50 0 biogenic HFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n23)cc1OC ZINC000004708636 558914068 /nfs/dbraw/zinc/91/40/68/558914068.db2.gz IRAVWYZHKHRJPQ-ZDUSSCGKSA-N 0 0 404.426 2.678 50 0 HFAARN COc1ccc(CCNC(=O)[C@H]2CC(=O)N(CCc3ccc(C)cc3)C2)cc1OC ZINC000004710137 558914287 /nfs/dbraw/zinc/91/42/87/558914287.db2.gz BHWVEEUIMVSDMU-FQEVSTJZSA-N 0 0 410.514 2.762 50 0 HFAARN COc1ccc(CCN2C[C@H](C(=O)NCCc3ccc(C)cc3)CC2=O)cc1OC ZINC000004710168 558914315 /nfs/dbraw/zinc/91/43/15/558914315.db2.gz DVRQOCNLOOJKEA-HXUWFJFHSA-N 0 0 410.514 2.762 50 0 HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC)C[C@@H](C)C(=O)OC)cc2)c1C ZINC000058245285 558914518 /nfs/dbraw/zinc/91/45/18/558914518.db2.gz AJFKUHFTHVYBOF-CQSZACIVSA-N 0 0 401.463 2.629 50 0 HFAARN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000004711428 558916831 /nfs/dbraw/zinc/91/68/31/558916831.db2.gz OWEWNWVKFQVFAP-FQEVSTJZSA-N 0 0 410.514 2.974 50 0 biogenic HFAARN CC(C)C(=O)NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000058310419 558918856 /nfs/dbraw/zinc/91/88/56/558918856.db2.gz HKVGRAZMYXITJX-OAHLLOKOSA-N 0 0 402.470 2.819 50 0 HFAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c12 ZINC000058323600 558919433 /nfs/dbraw/zinc/91/94/33/558919433.db2.gz OBKOZUZDAUDISH-KRWDZBQOSA-N 0 0 403.442 2.804 50 0 HFAARN C[C@H](NC(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000058328481 558919991 /nfs/dbraw/zinc/91/99/91/558919991.db2.gz XXPDXLVBYQQRIA-PGRDOPGGSA-N 0 0 409.530 2.730 50 0 HFAARN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccn2Cc2ccncc2)cc1)n1cncn1 ZINC000058343472 558920737 /nfs/dbraw/zinc/92/07/37/558920737.db2.gz OXZPNXITFZDVHZ-MRXNPFEDSA-N 0 0 415.457 2.975 50 0 HFAARN O=C(NC1CCN(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1)C1CC1 ZINC000058382227 558923387 /nfs/dbraw/zinc/92/33/87/558923387.db2.gz WKVLPSGEUGKARL-UHFFFAOYSA-N 0 0 424.295 2.743 50 0 HFAARN CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000033256053 558923694 /nfs/dbraw/zinc/92/36/94/558923694.db2.gz CTXIIAYEKZPLLA-UHFFFAOYSA-N 0 0 405.398 2.646 50 0 HFAARN C[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC000058426072 558926076 /nfs/dbraw/zinc/92/60/76/558926076.db2.gz QZLLNVMVEDODCW-AEFFLSMTSA-N 0 0 421.563 2.682 50 0 HFAARN C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC000058426076 558926258 /nfs/dbraw/zinc/92/62/58/558926258.db2.gz QZLLNVMVEDODCW-SJLPKXTDSA-N 0 0 421.563 2.682 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CCO1 ZINC000058429158 558926405 /nfs/dbraw/zinc/92/64/05/558926405.db2.gz OIEOBEALQBRXBQ-SNVBAGLBSA-N 0 0 403.323 2.982 50 0 HFAARN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)Cc1cccc2ccccc21 ZINC000072115746 558926731 /nfs/dbraw/zinc/92/67/31/558926731.db2.gz NIQCLNYEGLDLHT-QGZVFWFLSA-N 0 0 417.575 2.653 50 0 HFAARN CCCCCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H](C)CCC ZINC000058434753 558926911 /nfs/dbraw/zinc/92/69/11/558926911.db2.gz YXKIZFYBJJPEIN-KRWDZBQOSA-N 0 0 423.579 2.628 50 0 HFAARN COc1cccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1OC ZINC000019567938 558927101 /nfs/dbraw/zinc/92/71/01/558927101.db2.gz WHNQIEWTRVSKDK-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN COCCOc1ccc(S(=O)(=O)NCc2noc(-c3ccccc3)n2)cc1C ZINC000058440739 558927647 /nfs/dbraw/zinc/92/76/47/558927647.db2.gz OVVCCKGFMVCZGS-UHFFFAOYSA-N 0 0 403.460 2.549 50 0 HFAARN O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000096381114 558928776 /nfs/dbraw/zinc/92/87/76/558928776.db2.gz UGVIDFWATYUCCZ-UHFFFAOYSA-N 0 0 424.302 2.979 50 0 HFAARN O=C(c1ncccc1O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072170475 558930542 /nfs/dbraw/zinc/93/05/42/558930542.db2.gz YRMRDAOFERASDO-GOSISDBHSA-N 0 0 400.910 2.867 50 0 HFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(OCc2nccn2C)cc1 ZINC000059421074 558936046 /nfs/dbraw/zinc/93/60/46/558936046.db2.gz ZKRXPDDQLJPKDZ-HNNXBMFYSA-N 0 0 412.515 2.598 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccccc1F ZINC000072401916 558936970 /nfs/dbraw/zinc/93/69/70/558936970.db2.gz MMOVVODBPQOIJM-UHFFFAOYSA-N 0 0 404.873 2.627 50 0 HFAARN CCOc1ccc(-c2noc(CN(C)[C@H](C)c3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000060377273 558942538 /nfs/dbraw/zinc/94/25/38/558942538.db2.gz HOEPCOLNCWZQNL-CQSZACIVSA-N 0 0 416.503 2.976 50 0 HFAARN CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3cccc(C(C)=O)c3)c2=O)cc1 ZINC000060379111 558942884 /nfs/dbraw/zinc/94/28/84/558942884.db2.gz NMVZRONTAOMHRR-NRFANRHFSA-N 0 0 408.454 2.793 50 0 HFAARN O=C(CS(=O)(=O)CC(=O)c1ccc2c(c1)NC(=O)CO2)Nc1ccc(Cl)cc1 ZINC000019620764 558946999 /nfs/dbraw/zinc/94/69/99/558946999.db2.gz FUMWOKMNULFAJI-UHFFFAOYSA-N 0 0 422.846 2.557 50 0 HFAARN COc1cccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)c1 ZINC000097943845 558950538 /nfs/dbraw/zinc/95/05/38/558950538.db2.gz HQRQJTWYXJXHDF-DEOSSOPVSA-N 0 0 421.497 2.659 50 0 HFAARN CCNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@H]3CCCC[C@H]3C)[nH]n2)ccc1OC ZINC000021806430 558952269 /nfs/dbraw/zinc/95/22/69/558952269.db2.gz SHEGYOJJECONIP-HIFRSBDPSA-N 0 0 420.535 2.692 50 0 HFAARN NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1F ZINC000033063558 558956519 /nfs/dbraw/zinc/95/65/19/558956519.db2.gz XKEMMKPYTRLCHI-UHFFFAOYSA-N 0 0 413.430 2.978 50 0 HFAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000065363923 558974885 /nfs/dbraw/zinc/97/48/85/558974885.db2.gz BGLBIZZNAMPUTL-UHFFFAOYSA-N 0 0 419.445 2.698 50 0 HFAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000065364393 558975565 /nfs/dbraw/zinc/97/55/65/558975565.db2.gz DXLJJUNUBIFKLV-UHFFFAOYSA-N 0 0 403.273 2.932 50 0 HFAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 ZINC000065364893 558975952 /nfs/dbraw/zinc/97/59/52/558975952.db2.gz SIHVZTSRTFCECN-UHFFFAOYSA-N 0 0 407.478 2.724 50 0 HFAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccccc1C)CC(=O)N2 ZINC000065365497 558976402 /nfs/dbraw/zinc/97/64/02/558976402.db2.gz AYHOWVFKWYPATN-KRWDZBQOSA-N 0 0 404.474 2.590 50 0 HFAARN COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(CC(=O)Nc3ccc(C)cc3)nc2C1 ZINC000065409819 558977470 /nfs/dbraw/zinc/97/74/70/558977470.db2.gz AFWGCLKAUQSSOP-HNNXBMFYSA-N 0 0 404.470 2.978 50 0 HFAARN OCCN1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CC1 ZINC000072418163 558978090 /nfs/dbraw/zinc/97/80/90/558978090.db2.gz PPJGLPWHZQSUSM-UHFFFAOYSA-N 0 0 419.407 2.932 50 0 HFAARN CCc1nc(-c2cc(S(=O)(=O)NCC(=O)Nc3ccccc3)c(C)s2)no1 ZINC000033263994 558982933 /nfs/dbraw/zinc/98/29/33/558982933.db2.gz WTHNVUYNNXICPN-UHFFFAOYSA-N 0 0 406.489 2.586 50 0 HFAARN COc1cc(NC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc(OC)c1 ZINC000033069118 558983347 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405.458 2.971 50 0 HFAARN CC(=O)c1cccc(NC(=O)CCc2nnc3ccc(-n4nc(C)cc4C)nn32)c1 ZINC000067630431 558990396 /nfs/dbraw/zinc/99/03/96/558990396.db2.gz GNAYXDNSGOXHNI-UHFFFAOYSA-N 0 0 403.446 2.701 50 0 HFAARN COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@@H]4COCCO4)co3)cc2c1 ZINC000067758534 558992466 /nfs/dbraw/zinc/99/24/66/558992466.db2.gz XBSSSHAPFLPNDF-LJQANCHMSA-N 0 0 412.442 2.903 50 0 HFAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000096833024 558993519 /nfs/dbraw/zinc/99/35/19/558993519.db2.gz CGTGYBNOMKLWSF-FUHWJXTLSA-N 0 0 406.958 2.591 50 0 HFAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCCCc1ccccc1 ZINC000022506235 558997754 /nfs/dbraw/zinc/99/77/54/558997754.db2.gz KXFPHRRTLLUJGF-UHFFFAOYSA-N 0 0 403.504 2.989 50 0 HFAARN CC(C)OCCOCc1cccc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)c1 ZINC000097164684 558998513 /nfs/dbraw/zinc/99/85/13/558998513.db2.gz IPMGCNSGMUPYLL-HXUWFJFHSA-N 0 0 405.539 2.814 50 0 HFAARN Cc1cc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc(C)c(C)c5)C(=O)[C@@H]24)O3)no1 ZINC000077287143 559000428 /nfs/dbraw/zinc/00/04/28/559000428.db2.gz STYPJDDTMOPAOV-BLRYILKCSA-N 0 0 421.497 2.540 50 0 HFAARN Cc1cc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(Cc4ccc(C)c(C)c4)C[C@@]34C=C[C@@H]2O4)on1 ZINC000077323205 559001436 /nfs/dbraw/zinc/00/14/36/559001436.db2.gz WIQBROAJGPEKTE-XARGGIHNSA-N 0 0 421.497 2.540 50 0 HFAARN Cc1noc(C)c1CN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2 ZINC000077391748 559003498 /nfs/dbraw/zinc/00/34/98/559003498.db2.gz LONOGFHDDTUGKD-VAWZGJIGSA-N 0 0 413.518 2.755 50 0 HFAARN CCC(CC)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N(C)Cc2csc(C)n2)[C@@H]3C1=O ZINC000077470403 559006325 /nfs/dbraw/zinc/00/63/25/559006325.db2.gz CJYXLLAPOMRECR-OOSNJVJTSA-N 0 0 403.548 2.628 50 0 HFAARN COc1cc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc(OC)c1 ZINC000022587232 559014613 /nfs/dbraw/zinc/01/46/13/559014613.db2.gz UXGAQMHYECVZLH-CQSZACIVSA-N 0 0 408.458 2.795 50 0 HFAARN COC(=O)CCN1CCN(C(=O)/C(=C\c2ccccc2OC)c2ccccc2)CC1 ZINC000097257176 559014991 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C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000023180787 559030856 /nfs/dbraw/zinc/03/08/56/559030856.db2.gz XCIYDGHTKWGTDI-KDOFPFPSSA-N 0 0 421.950 2.596 50 0 HFAARN O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000023190537 559032165 /nfs/dbraw/zinc/03/21/65/559032165.db2.gz ZRLZHFPKESPNFC-UHFFFAOYSA-N 0 0 414.531 2.721 50 0 HFAARN Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCOCC2)c2ccccc2n1C ZINC000004734675 559034136 /nfs/dbraw/zinc/03/41/36/559034136.db2.gz XHLGVTDQYCLXLQ-QHCPKHFHSA-N 0 0 403.482 2.891 50 0 HFAARN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCOCC2)c2ccccc2n1C ZINC000004734676 559034228 /nfs/dbraw/zinc/03/42/28/559034228.db2.gz XHLGVTDQYCLXLQ-HSZRJFAPSA-N 0 0 403.482 2.891 50 0 HFAARN Cn1c2ccccc2n(Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(=O)c1=O ZINC000033272676 559034344 /nfs/dbraw/zinc/03/43/44/559034344.db2.gz JPKBLRALPDVOCT-UHFFFAOYSA-N 0 0 417.440 2.818 50 0 HFAARN Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3C)n2C)s1 ZINC000004736435 559035811 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COc1cccc(-c2n[nH]cc2CNS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000033310141 559053803 /nfs/dbraw/zinc/05/38/03/559053803.db2.gz ALTOQTYNDWZNNC-UHFFFAOYSA-N 0 0 403.460 2.581 50 0 HFAARN CCCNC(=O)Nc1ccc(NC(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1 ZINC000033310196 559053813 /nfs/dbraw/zinc/05/38/13/559053813.db2.gz VXCXHQJCWSLFST-UHFFFAOYSA-N 0 0 401.511 2.988 50 0 HFAARN O=C(c1cccc(F)c1)N1CCC[C@@H]1COc1ccc(C(=O)N2CCOCC2)cc1 ZINC000033310637 559054272 /nfs/dbraw/zinc/05/42/72/559054272.db2.gz DJBGDZCSSBUUOU-HXUWFJFHSA-N 0 0 412.461 2.982 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)c1C ZINC000085620680 559057152 /nfs/dbraw/zinc/05/71/52/559057152.db2.gz QJIUDEUAOOBUDC-HNNXBMFYSA-N 0 0 401.463 2.570 50 0 HFAARN O=C(COc1ccc(Cl)cc1)N1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000585147197 559057717 /nfs/dbraw/zinc/05/77/17/559057717.db2.gz YCVRAVOYWKNPFQ-CQSZACIVSA-N 0 0 412.671 2.951 50 0 HFAARN Cc1ccccc1OCc1nc(-c2ccccc2OCC(=O)N2CCOCC2)no1 ZINC000033325131 559058614 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/nfs/dbraw/zinc/42/52/42/568425242.db2.gz LMAVBXDOKCVSPO-UHFFFAOYSA-N 0 0 408.439 2.822 50 0 HFAARN CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(C(C)=O)c2)c1=O ZINC000046079142 568427779 /nfs/dbraw/zinc/42/77/79/568427779.db2.gz PYSFDSUSXRSGEB-UHFFFAOYSA-N 0 0 404.426 2.710 50 0 HFAARN CCS(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046124525 568428381 /nfs/dbraw/zinc/42/83/81/568428381.db2.gz YODIJDJSLKMNJY-LLVKDONJSA-N 0 0 414.940 2.973 50 0 HFAARN COc1cccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000046145043 568430386 /nfs/dbraw/zinc/43/03/86/568430386.db2.gz VLRGRRZYCPUXBP-UHFFFAOYSA-N 0 0 402.516 2.516 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000046145328 568430502 /nfs/dbraw/zinc/43/05/02/568430502.db2.gz MBMUZSAUIUXMSS-UHFFFAOYSA-N 0 0 408.907 2.932 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(OC)cc3C)CC2)cc1 ZINC000046145474 568430511 /nfs/dbraw/zinc/43/05/11/568430511.db2.gz OUWNETCNXZLYEG-UHFFFAOYSA-N 0 0 418.515 2.595 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C[C@H](C)O1 ZINC000048234391 568432595 /nfs/dbraw/zinc/43/25/95/568432595.db2.gz INXUQCMXHIXWSF-AOOOYVTPSA-N 0 0 401.838 2.605 50 0 HFAARN Cc1oc(C(=O)NCCc2cccc3cccnc32)cc1S(=O)(=O)N1CCCC1 ZINC000048237518 568433089 /nfs/dbraw/zinc/43/30/89/568433089.db2.gz AXOSASGHVVYJEA-UHFFFAOYSA-N 0 0 413.499 2.893 50 0 HFAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CSC[C@H]3C(=O)NCC(F)(F)F)c12 ZINC000048288350 568434747 /nfs/dbraw/zinc/43/47/47/568434747.db2.gz SLJLXWHZNCCVLF-LBPRGKRZSA-N 0 0 414.409 2.602 50 0 HFAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)n1 ZINC000048285578 568436000 /nfs/dbraw/zinc/43/60/00/568436000.db2.gz ARRFRFFRNHWOJS-ZDUSSCGKSA-N 0 0 400.504 2.761 50 0 HFAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000048285909 568436025 /nfs/dbraw/zinc/43/60/25/568436025.db2.gz KVPQJSCNKGGVJE-UHFFFAOYSA-N 0 0 400.932 2.610 50 0 HFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cncc(Br)c2)c1C ZINC000048310762 568436821 /nfs/dbraw/zinc/43/68/21/568436821.db2.gz YBXKMJHEDKAAEO-UHFFFAOYSA-N 0 0 412.309 2.720 50 0 HFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1ccc2c(c1)OCCO2 ZINC000048311190 568436984 /nfs/dbraw/zinc/43/69/84/568436984.db2.gz CSQGODMORDQHNX-UHFFFAOYSA-N 0 0 405.501 2.767 50 0 HFAARN O=C(CCN1C(=O)c2ccccc2C1=O)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1 ZINC000048324046 568438090 /nfs/dbraw/zinc/43/80/90/568438090.db2.gz CVECXEUIGYAXBN-SFHVURJKSA-N 0 0 424.844 2.902 50 0 HFAARN CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000048333173 568439460 /nfs/dbraw/zinc/43/94/60/568439460.db2.gz YMQJCFKWEKAVGI-INIZCTEOSA-N 0 0 405.520 2.618 50 0 HFAARN Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)Oc2ccc(F)cc2Br)no1 ZINC000048332155 568439981 /nfs/dbraw/zinc/43/99/81/568439981.db2.gz ZINXHLXZKWJLFB-SNVBAGLBSA-N 0 0 414.231 2.749 50 0 HFAARN COCCOc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC ZINC000048375018 568442372 /nfs/dbraw/zinc/44/23/72/568442372.db2.gz HKEUAFKOOGJEON-AEFFLSMTSA-N 0 0 412.486 2.951 50 0 HFAARN Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1C ZINC000085808784 568442425 /nfs/dbraw/zinc/44/24/25/568442425.db2.gz JBWDMAZKDSMFRI-UHFFFAOYSA-N 0 0 415.475 2.718 50 0 HFAARN Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000012230407 568442785 /nfs/dbraw/zinc/44/27/85/568442785.db2.gz HESLPEOVDBEXMQ-UHFFFAOYSA-N 0 0 424.428 2.920 50 0 HFAARN CCSc1nnc(NC(=O)CCNS(=O)(=O)/C=C/c2ccc(C)cc2)s1 ZINC000005279096 568442969 /nfs/dbraw/zinc/44/29/69/568442969.db2.gz FKKNUYSJCPUBOC-PKNBQFBNSA-N 0 0 412.562 2.877 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)cc1OC ZINC000049401666 568447878 /nfs/dbraw/zinc/44/78/78/568447878.db2.gz AQGXQTPOWQAEAM-UHFFFAOYSA-N 0 0 423.454 2.571 50 0 HFAARN CCOc1ccc(NC(=O)CN2C3=C(C(=O)OC3)[C@H](c3ccc(C)cc3)NC2=O)cc1 ZINC000049402908 568448190 /nfs/dbraw/zinc/44/81/90/568448190.db2.gz XZYWQCLBBQMEIF-NRFANRHFSA-N 0 0 421.453 2.910 50 0 HFAARN COc1ccc(-c2nnc(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)o2)cc1 ZINC000049405741 568448721 /nfs/dbraw/zinc/44/87/21/568448721.db2.gz HRDFFDXGDXVKPM-UHFFFAOYSA-N 0 0 420.469 2.839 50 0 HFAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc(C(=O)NC3CC3)n2)CC1 ZINC000049408700 568449474 /nfs/dbraw/zinc/44/94/74/568449474.db2.gz YFBFPCHTDOAGTC-UHFFFAOYSA-N 0 0 404.923 2.960 50 0 HFAARN O=C(COc1coc(CN2CCCCC2)cc1=O)NCCc1c[nH]c2ccccc12 ZINC000049543603 568451147 /nfs/dbraw/zinc/45/11/47/568451147.db2.gz QDBANFZGCXQZEE-UHFFFAOYSA-N 0 0 409.486 2.845 50 0 biogenic HFAARN CCc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)cc1 ZINC000049586890 568452831 /nfs/dbraw/zinc/45/28/31/568452831.db2.gz ILFHWKQSWACIOT-FQEVSTJZSA-N 0 0 405.498 2.587 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccc(C)cc2)n1 ZINC000012231712 568453729 /nfs/dbraw/zinc/45/37/29/568453729.db2.gz AHFNDOHYHRDCPI-UHFFFAOYSA-N 0 0 420.517 2.712 50 0 HFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C(C)C)c(C)c1C ZINC000012232001 568453971 /nfs/dbraw/zinc/45/39/71/568453971.db2.gz DEIKQPSKRWQSQL-UHFFFAOYSA-N 0 0 420.517 2.945 50 0 HFAARN COc1cc(OC)c(OC)cc1CNC(=O)CSc1ncn(-c2ccccc2)n1 ZINC000012269560 568457094 /nfs/dbraw/zinc/45/70/94/568457094.db2.gz IDHLHZKUZVZEMI-UHFFFAOYSA-N 0 0 414.487 2.702 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000000666069 568460472 /nfs/dbraw/zinc/46/04/72/568460472.db2.gz AOGFQRVDLMJUIC-YLJYHZDGSA-N 0 0 416.543 2.954 50 0 HFAARN COc1ccc(N2C[C@@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)CC2=O)cc1 ZINC000012296515 568462726 /nfs/dbraw/zinc/46/27/26/568462726.db2.gz VNDZZSFNGDGJPG-KRWDZBQOSA-N 0 0 410.470 2.650 50 0 biogenic HFAARN COc1cccc2cc(-c3ccc(OCC(=O)N4CCC[C@H]4CO)cc3)c(=O)oc21 ZINC000012296522 568462730 /nfs/dbraw/zinc/46/27/30/568462730.db2.gz MWAHYWGUPMVQHH-KRWDZBQOSA-N 0 0 409.438 2.831 50 0 biogenic HFAARN Cc1nn(C)c(C)c1CCC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000024820897 568467315 /nfs/dbraw/zinc/46/73/15/568467315.db2.gz MKKRWYAIQXUHMW-UHFFFAOYSA-N 0 0 407.312 2.829 50 0 HFAARN O=C(c1ccccc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000024844036 568470878 /nfs/dbraw/zinc/47/08/78/568470878.db2.gz MYOWZVAOTQSZCQ-UHFFFAOYSA-N 0 0 408.527 2.821 50 0 HFAARN O=C(COC(=O)c1cc(Cl)c2ccccc2c1O)N1CCC2(CC1)OCCO2 ZINC000051692861 568471799 /nfs/dbraw/zinc/47/17/99/568471799.db2.gz WOOCKUPFZLZEBH-UHFFFAOYSA-N 0 0 405.834 2.721 50 0 HFAARN Cc1csc2nc(COC(=O)CCc3nc(-c4ccsc4)no3)cc(=O)n12 ZINC000022017641 568473492 /nfs/dbraw/zinc/47/34/92/568473492.db2.gz KESAABPMMFMIJO-UHFFFAOYSA-N 0 0 402.457 2.852 50 0 HFAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000003175252 568477025 /nfs/dbraw/zinc/47/70/25/568477025.db2.gz MAIPGVXCXAWRIX-CWSCBRNRSA-N 0 0 401.168 2.778 50 0 HFAARN CCOC(=O)[C@@](O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000003183772 568478760 /nfs/dbraw/zinc/47/87/60/568478760.db2.gz HEKWIIVKLVYXGB-KRWDZBQOSA-N 0 0 417.405 2.825 50 0 HFAARN COc1ccc(Cn2c(Oc3cc(C)cc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000789673 568478998 /nfs/dbraw/zinc/47/89/98/568478998.db2.gz VZWIPECUDNBZEF-UHFFFAOYSA-N 0 0 420.469 2.900 50 0 biogenic HFAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCc2ccccc21 ZINC000007600808 568483076 /nfs/dbraw/zinc/48/30/76/568483076.db2.gz JXPIRFOVHQOMLA-UHFFFAOYSA-N 0 0 402.292 2.875 50 0 HFAARN Cc1cc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc(-c2ccccc2)n1 ZINC000000808253 568487292 /nfs/dbraw/zinc/48/72/92/568487292.db2.gz MHPPZYBXYVWXNW-UHFFFAOYSA-N 0 0 414.512 2.830 50 0 HFAARN O=C(CCn1ccc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008071860 568489967 /nfs/dbraw/zinc/48/99/67/568489967.db2.gz FLDWTYWKDYNGSK-UHFFFAOYSA-N 0 0 413.499 2.691 50 0 HFAARN COc1cc2c(cc(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2C)c(OC)c1 ZINC000604404565 568492435 /nfs/dbraw/zinc/49/24/35/568492435.db2.gz PPZFEKXJPUIQFD-CABCVRRESA-N 0 0 407.470 2.617 50 0 biogenic HFAARN COc1ncccc1NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000604418905 568493099 /nfs/dbraw/zinc/49/30/99/568493099.db2.gz OFPIXHPFOUXTGO-NRFANRHFSA-N 0 0 414.421 2.844 50 0 HFAARN Cn1c(=O)oc2ccc(S(=O)(=O)NCCc3ccc(-c4ccoc4)s3)cc21 ZINC000390830496 568495026 /nfs/dbraw/zinc/49/50/26/568495026.db2.gz LJYAARZKVFJTQH-UHFFFAOYSA-N 0 0 404.469 2.974 50 0 HFAARN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)n(N)c2=O)cc1 ZINC000012348111 568495997 /nfs/dbraw/zinc/49/59/97/568495997.db2.gz ZWOVHAXNBBGSFW-UHFFFAOYSA-N 0 0 409.515 2.599 50 0 HFAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cc2c([nH]c1=O)CCCC2=O ZINC000024946879 568496847 /nfs/dbraw/zinc/49/68/47/568496847.db2.gz KYDCZSIHYSTKDD-UHFFFAOYSA-N 0 0 419.231 2.680 50 0 HFAARN Cc1nnc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1C1CC1 ZINC000008390287 568499942 /nfs/dbraw/zinc/49/99/42/568499942.db2.gz KAEPRUHUYAZMAC-ZDUSSCGKSA-N 0 0 412.519 2.839 50 0 HFAARN CCOc1ccc(CCNC(=O)COC(=O)Cc2cccc(OC)c2)cc1OCC ZINC000012354527 568500295 /nfs/dbraw/zinc/50/02/95/568500295.db2.gz BQYGHEVMSZUJRD-UHFFFAOYSA-N 0 0 415.486 2.937 50 0 HFAARN COCCn1c2ccccc2nc1SCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000008565503 568501706 /nfs/dbraw/zinc/50/17/06/568501706.db2.gz CYZAIXMHPBNUKL-UHFFFAOYSA-N 0 0 424.482 2.998 50 0 HFAARN CCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C ZINC000005776336 568504997 /nfs/dbraw/zinc/50/49/97/568504997.db2.gz FGGGWOJQLPAQEY-NSHDSACASA-N 0 0 407.565 2.996 50 0 HFAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1 ZINC000023080205 568505621 /nfs/dbraw/zinc/50/56/21/568505621.db2.gz WMISGEKKCUAWLX-SECBINFHSA-N 0 0 417.270 2.825 50 0 HFAARN CCOC(=O)COc1ccc2ccccc2c1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC ZINC000000831441 568507841 /nfs/dbraw/zinc/50/78/41/568507841.db2.gz CZUWYJGSJAXRTR-HXUWFJFHSA-N 0 0 412.442 2.973 50 0 HFAARN COc1ccc2c(c1)c1nc(SCC(=O)N3CCC(C)CC3)n(C)c(=O)c1n2C ZINC000033287722 568513617 /nfs/dbraw/zinc/51/36/17/568513617.db2.gz YGRNMRVAFJYBJH-UHFFFAOYSA-N 0 0 414.531 2.784 50 0 HFAARN COc1ccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005779722 568532108 /nfs/dbraw/zinc/53/21/08/568532108.db2.gz VDFUYWJNDILXBX-JXMROGBWSA-N 0 0 415.442 2.594 50 0 HFAARN O=C(NCCCN1CCCCCC1=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000051866119 568565317 /nfs/dbraw/zinc/56/53/17/568565317.db2.gz AMGYMMYHJRMYEC-GOSISDBHSA-N 0 0 400.523 2.839 50 0 HFAARN O=C(NCCCn1ccnc1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000020102773 568587937 /nfs/dbraw/zinc/58/79/37/568587937.db2.gz RXPDNVFRALZPEC-UHFFFAOYSA-N 0 0 423.473 2.830 50 0 HFAARN CCOc1ccc(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)cc1OCC ZINC000390826633 568591202 /nfs/dbraw/zinc/59/12/02/568591202.db2.gz NZUFFZOGJNDJHN-UHFFFAOYSA-N 0 0 424.505 2.629 50 0 HFAARN Cc1nc(S(=O)(=O)N(CCn2ccc(-c3ccncc3)n2)C2CCCC2)cn1C ZINC000390827555 568591593 /nfs/dbraw/zinc/59/15/93/568591593.db2.gz ZDYWARDGVBQFOJ-UHFFFAOYSA-N 0 0 414.535 2.621 50 0 HFAARN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000390828830 568591788 /nfs/dbraw/zinc/59/17/88/568591788.db2.gz BWIWKGQTLHWWOZ-QGZVFWFLSA-N 0 0 410.909 2.985 50 0 HFAARN COc1ccc(C(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)cc1F ZINC000390829710 568591955 /nfs/dbraw/zinc/59/19/55/568591955.db2.gz GAPGGAFKMXHLIN-UHFFFAOYSA-N 0 0 419.478 2.640 50 0 HFAARN CC1=C[C@@H]2C(=O)NC(CSCC(=O)NCCc3c[nH]c4ccccc34)=N[C@@H]2S1 ZINC000094992943 568593421 /nfs/dbraw/zinc/59/34/21/568593421.db2.gz ZOLSLKQDZICHRO-FOIQADDNSA-N 0 0 414.556 2.681 50 0 HFAARN CCn1c(=O)cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000020280323 568596677 /nfs/dbraw/zinc/59/66/77/568596677.db2.gz OKKMEMJJMGCJOL-UHFFFAOYSA-N 0 0 405.498 2.745 50 0 HFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccncc1)N(CCCN1CCOCC1)C3=O ZINC000020308105 568598290 /nfs/dbraw/zinc/59/82/90/568598290.db2.gz XNJVTDJZYGSEAS-OAQYLSRUSA-N 0 0 419.481 2.764 50 0 HFAARN CC(C)[C@H]1NC(=O)c2ccccc2N(CC(=O)Nc2nc3c(s2)CCCC3)C1=O ZINC000080329222 568601921 /nfs/dbraw/zinc/60/19/21/568601921.db2.gz CDFKLCUKSYUETO-GOSISDBHSA-N 0 0 412.515 2.762 50 0 HFAARN CC(C)(C)c1ncc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cn1 ZINC000095377440 568603322 /nfs/dbraw/zinc/60/33/22/568603322.db2.gz BOHBKZJZFSWERK-CVEARBPZSA-N 0 0 402.495 2.695 50 0 HFAARN COc1cc(C)sc1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095396938 568604410 /nfs/dbraw/zinc/60/44/10/568604410.db2.gz GUKWFLYROYAWAP-MRXNPFEDSA-N 0 0 407.923 2.703 50 0 HFAARN CCc1c(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cnn1-c1ccc(C)cc1 ZINC000095402747 568605567 /nfs/dbraw/zinc/60/55/67/568605567.db2.gz JRGOOPPFWABRNU-HNNXBMFYSA-N 0 0 406.490 2.585 50 0 HFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c[nH]nc3-c3ccccc3)C2=O)cc1 ZINC000095430600 568608982 /nfs/dbraw/zinc/60/89/82/568608982.db2.gz REJHGHRGWCJHFV-QFIPXVFZSA-N 0 0 403.442 2.791 50 0 HFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)CS2 ZINC000040049242 568612736 /nfs/dbraw/zinc/61/27/36/568612736.db2.gz WCOZMQUSDZUABT-WMLDXEAASA-N 0 0 402.438 2.836 50 0 HFAARN COc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 ZINC000095452278 568615083 /nfs/dbraw/zinc/61/50/83/568615083.db2.gz COXJFTBLCPXJJM-MRXNPFEDSA-N 0 0 424.906 2.739 50 0 HFAARN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)c1ccc(F)cc1F ZINC000095452274 568615151 /nfs/dbraw/zinc/61/51/51/568615151.db2.gz XJYZCSJCRNNEEI-VIFPVBQESA-N 0 0 404.822 2.522 50 0 HFAARN COC(=O)[C@H](c1cccc(Br)c1)N(C)CC(=O)N(C)Cc1ccco1 ZINC000095452463 568615465 /nfs/dbraw/zinc/61/54/65/568615465.db2.gz JMFYCXXLKXRQCG-KRWDZBQOSA-N 0 0 409.280 2.847 50 0 HFAARN CCN(C(=O)c1ccc(-n2cnc3ccccc32)nc1)[C@H](C)CS(=O)(=O)CC ZINC000095454007 568616184 /nfs/dbraw/zinc/61/61/84/568616184.db2.gz CYUWPTXIDMZRTH-OAHLLOKOSA-N 0 0 400.504 2.706 50 0 HFAARN CN(CCOc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000040104703 568617377 /nfs/dbraw/zinc/61/73/77/568617377.db2.gz QKYOKVVURYQQHH-UHFFFAOYSA-N 0 0 401.438 2.841 50 0 HFAARN CC[C@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)N1CCc2ccccc2C1 ZINC000040074400 568617937 /nfs/dbraw/zinc/61/79/37/568617937.db2.gz FACBSMYUPYMAIR-OAQYLSRUSA-N 0 0 400.544 2.798 50 0 HFAARN NS(=O)(=O)C[C@H]1CCCN1c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC000095460543 568620205 /nfs/dbraw/zinc/62/02/05/568620205.db2.gz MDLVAHONXABIFO-OAHLLOKOSA-N 0 0 406.939 2.933 50 0 HFAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000095463829 568622088 /nfs/dbraw/zinc/62/20/88/568622088.db2.gz BRWXZHPCMCIDBB-FXAWDEMLSA-N 0 0 416.543 2.847 50 0 HFAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cn(C)cc(Br)c1=O)C(C)C ZINC000095467894 568624984 /nfs/dbraw/zinc/62/49/84/568624984.db2.gz XMRBSSMPSOKYCI-INIZCTEOSA-N 0 0 420.307 2.849 50 0 HFAARN O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095469784 568625972 /nfs/dbraw/zinc/62/59/72/568625972.db2.gz WPQRNBAVADBAHO-UHFFFAOYSA-N 0 0 413.349 2.562 50 0 HFAARN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000040155291 568626309 /nfs/dbraw/zinc/62/63/09/568626309.db2.gz GEPHVTDVXSUBJW-SJORKVTESA-N 0 0 414.506 2.739 50 0 HFAARN COCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1F ZINC000040158502 568626941 /nfs/dbraw/zinc/62/69/41/568626941.db2.gz WGIMFAMLOPAJCM-GOSISDBHSA-N 0 0 405.451 2.521 50 0 HFAARN O=C(NCCc1ccco1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095472600 568627750 /nfs/dbraw/zinc/62/77/50/568627750.db2.gz DJDSQXMGQSQUQW-NSHDSACASA-N 0 0 417.263 2.630 50 0 HFAARN COc1ccc(C2(CNC(=O)Cn3c4ccccc4nc(C)c3=O)CCOCC2)cc1 ZINC000095480489 568633030 /nfs/dbraw/zinc/63/30/30/568633030.db2.gz XBQYUBXZGAHMQP-UHFFFAOYSA-N 0 0 421.497 2.578 50 0 HFAARN COc1ccc(Cc2nnc(NC(=O)c3cnc4sc(C)cn4c3=O)s2)cc1 ZINC000095480680 568633471 /nfs/dbraw/zinc/63/34/71/568633471.db2.gz KRQMUEFBRCFQQB-UHFFFAOYSA-N 0 0 413.484 2.768 50 0 HFAARN CCOc1ccc(NC(=O)Cc2cccc(OC)n2)cc1S(=O)(=O)N(CC)CC ZINC000225412774 568635508 /nfs/dbraw/zinc/63/55/08/568635508.db2.gz LVCRDJYWHBUJNN-UHFFFAOYSA-N 0 0 421.519 2.701 50 0 HFAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCCN3CCOCC3)c(=O)oc1c2C ZINC000020611845 568637511 /nfs/dbraw/zinc/63/75/11/568637511.db2.gz RPGMWZAXKRWPHG-UHFFFAOYSA-N 0 0 412.486 2.845 50 0 biogenic HFAARN COC(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)cc1 ZINC000225444896 568638574 /nfs/dbraw/zinc/63/85/74/568638574.db2.gz NVNRXTLSRXMUIS-AWEZNQCLSA-N 0 0 406.276 2.817 50 0 HFAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2[n-]c1=S ZINC000020645310 568638915 /nfs/dbraw/zinc/63/89/15/568638915.db2.gz SYOYYOAAPWYTNK-HNNXBMFYSA-N 0 0 402.564 2.899 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1)C(=O)OC ZINC000020761206 568642132 /nfs/dbraw/zinc/64/21/32/568642132.db2.gz PLYWYHNJVHERHO-XVGQJIODSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1)C(=O)OC ZINC000020761201 568642228 /nfs/dbraw/zinc/64/22/28/568642228.db2.gz PLYWYHNJVHERHO-FMEYXAORSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN O=C(CN1CCN(CC(=O)Nc2ccc(F)c(F)c2)CC1)Nc1ccc(Cl)cc1 ZINC000020766553 568643164 /nfs/dbraw/zinc/64/31/64/568643164.db2.gz KZFDCEJMQXZMNX-UHFFFAOYSA-N 0 0 422.863 2.813 50 0 HFAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000225500169 568643665 /nfs/dbraw/zinc/64/36/65/568643665.db2.gz CULLLXMOUXPCQL-KRWDZBQOSA-N 0 0 407.522 2.933 50 0 HFAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCCN3CCOCC3)sc21 ZINC000020855981 568645403 /nfs/dbraw/zinc/64/54/03/568645403.db2.gz DQNUFXHKNRHGDC-UHFFFAOYSA-N 0 0 402.495 2.893 50 0 HFAARN CS(=O)(=O)CC[C@@H](c1nc(-c2ccccc2)no1)N1C(=O)c2ccccc2C1=O ZINC000225525713 568647077 /nfs/dbraw/zinc/64/70/77/568647077.db2.gz YMWHEKIPFFXMHZ-INIZCTEOSA-N 0 0 411.439 2.509 50 0 HFAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)C(C)C)ccc3n2CC)CC1 ZINC000020893325 568648287 /nfs/dbraw/zinc/64/82/87/568648287.db2.gz FWFRDTVQTGJFTI-UHFFFAOYSA-N 0 0 401.511 2.925 50 0 HFAARN COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020902553 568650378 /nfs/dbraw/zinc/65/03/78/568650378.db2.gz NNBSWAKHJUOURK-UHFFFAOYSA-N 0 0 407.470 2.879 50 0 HFAARN COc1ccc(C2(c3noc(C[C@@H]4CCS(=O)(=O)C4)n3)CCCC2)cc1OC ZINC000225554941 568650786 /nfs/dbraw/zinc/65/07/86/568650786.db2.gz IGMQUOQTUDEJCN-AWEZNQCLSA-N 0 0 406.504 2.924 50 0 HFAARN Cc1sc2c(c1C)CSC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)=C2 ZINC000020931194 568651795 /nfs/dbraw/zinc/65/17/95/568651795.db2.gz JSSLCGYJUBZAMD-UHFFFAOYSA-N 0 0 408.570 2.959 50 0 HFAARN CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)C1 ZINC000225566752 568651924 /nfs/dbraw/zinc/65/19/24/568651924.db2.gz OAAZPEJPUFQNAN-QUCCMNQESA-N 0 0 418.538 2.745 50 0 HFAARN CCOc1ccc(-c2nc(CN(C[C@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 ZINC000225571694 568652482 /nfs/dbraw/zinc/65/24/82/568652482.db2.gz RGRLKYUPPHWHST-HNNXBMFYSA-N 0 0 424.588 2.969 50 0 HFAARN Cc1noc2ncnc(N3CCC[C@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)c12 ZINC000020945347 568653375 /nfs/dbraw/zinc/65/33/75/568653375.db2.gz CBIJGXGNFSIPKW-INIZCTEOSA-N 0 0 424.480 2.631 50 0 HFAARN C[C@@H](Oc1nsnc1N1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000020946289 568653449 /nfs/dbraw/zinc/65/34/49/568653449.db2.gz IBZHEBQZRAOAJR-SNVBAGLBSA-N 0 0 402.398 2.800 50 0 HFAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCCN1CCOCC1 ZINC000020979213 568654232 /nfs/dbraw/zinc/65/42/32/568654232.db2.gz OLHKXPORYPZRRC-UHFFFAOYSA-N 0 0 407.518 2.732 50 0 HFAARN CCOC(=O)C1CCN(S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)CC1 ZINC000020990175 568655768 /nfs/dbraw/zinc/65/57/68/568655768.db2.gz NLYYTGVECBKQFQ-UHFFFAOYSA-N 0 0 418.515 2.959 50 0 HFAARN C[C@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2ccccc2)S1(=O)=O ZINC000020996688 568657185 /nfs/dbraw/zinc/65/71/85/568657185.db2.gz OJYQOLRYHBZTJI-LJQANCHMSA-N 0 0 415.559 2.577 50 0 HFAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000021005194 568657570 /nfs/dbraw/zinc/65/75/70/568657570.db2.gz IWKZZTZGBGPJLC-OAQYLSRUSA-N 0 0 411.571 2.883 50 0 HFAARN Cc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000021010868 568657763 /nfs/dbraw/zinc/65/77/63/568657763.db2.gz ATJJLUIRDYYTCB-UHFFFAOYSA-N 0 0 405.487 2.543 50 0 HFAARN Cc1nccnc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000225655013 568660619 /nfs/dbraw/zinc/66/06/19/568660619.db2.gz GBEHASBWKBDYRQ-DLBZAZTESA-N 0 0 401.308 3.000 50 0 HFAARN Cc1cccc2nc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cn21 ZINC000021073270 568661291 /nfs/dbraw/zinc/66/12/91/568661291.db2.gz LGDVTJOACVZRCN-UHFFFAOYSA-N 0 0 408.487 2.712 50 0 HFAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccs3)C2)c(OC)c1 ZINC000095945955 568663783 /nfs/dbraw/zinc/66/37/83/568663783.db2.gz MBLRTUIRDRSVPB-SFHVURJKSA-N 0 0 415.515 2.775 50 0 HFAARN O=C(CN1CCSc2ccc(S(=O)(=O)N3CCCC3)cc21)NC1CCCCC1 ZINC000021094280 568664458 /nfs/dbraw/zinc/66/44/58/568664458.db2.gz SYAJPRHBQGNGKJ-UHFFFAOYSA-N 0 0 423.604 2.832 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(c3ccc(C(=O)N4CCCC4)cn3)CC2)c1C ZINC000095947942 568665459 /nfs/dbraw/zinc/66/54/59/568665459.db2.gz ORXCHPILSCMRTE-UHFFFAOYSA-N 0 0 421.545 2.695 50 0 HFAARN CCCOc1c(Cl)cc(C(=O)Nc2cccnc2N2CCNC(=O)C2)cc1OC ZINC000095957013 568669604 /nfs/dbraw/zinc/66/96/04/568669604.db2.gz PGCAQEMOHQUIGN-UHFFFAOYSA-N 0 0 418.881 2.721 50 0 HFAARN CCn1nnc2cc(C(=O)Nc3ccc(OCC(=O)OC)c4ncccc34)ccc21 ZINC000095971134 568671579 /nfs/dbraw/zinc/67/15/79/568671579.db2.gz IVNMSMODTXQZLU-UHFFFAOYSA-N 0 0 405.414 2.804 50 0 HFAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000021161745 568674389 /nfs/dbraw/zinc/67/43/89/568674389.db2.gz YGXFAMQXYISMFT-QGZVFWFLSA-N 0 0 413.547 2.760 50 0 HFAARN COc1ccc(-c2noc(N(C)CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000021164548 568674628 /nfs/dbraw/zinc/67/46/28/568674628.db2.gz SYHXYWFXCBTKEC-UHFFFAOYSA-N 0 0 407.474 2.530 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3(CCO)CCCCC3)C2)s1 ZINC000095997279 568679079 /nfs/dbraw/zinc/67/90/79/568679079.db2.gz JYBIHXIJUHGEHT-INIZCTEOSA-N 0 0 414.593 2.659 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(C)[nH]c1=O ZINC000095998503 568679672 /nfs/dbraw/zinc/67/96/72/568679672.db2.gz FSFDHSKBTWUTPK-HXUWFJFHSA-N 0 0 406.486 2.759 50 0 HFAARN CCOC(=O)[C@@H](C)CCc1nc(=O)c2c3c(sc2[nH]1)CN(C(=O)OCC)CC3 ZINC000225840184 568679708 /nfs/dbraw/zinc/67/97/08/568679708.db2.gz TZXGYPZHPKABKQ-NSHDSACASA-N 0 0 407.492 2.631 50 0 HFAARN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cc(C)n(C)n3)c2C)c1 ZINC000095998546 568680079 /nfs/dbraw/zinc/68/00/79/568680079.db2.gz OMAJTUDHSPQAID-FQEVSTJZSA-N 0 0 409.490 2.753 50 0 HFAARN COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCCN(c3nccc(OC)n3)C2)cc1 ZINC000095999587 568680531 /nfs/dbraw/zinc/68/05/31/568680531.db2.gz KOYCBSDZVUODNP-HNNXBMFYSA-N 0 0 408.462 2.853 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(-n2cc(CO)nn2)cc1 ZINC000096011652 568684373 /nfs/dbraw/zinc/68/43/73/568684373.db2.gz NPUQMCZPPQNOIL-UHFFFAOYSA-N 0 0 401.854 2.781 50 0 HFAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096024895 568686214 /nfs/dbraw/zinc/68/62/14/568686214.db2.gz KHXACKTXJJAIEI-UHFFFAOYSA-N 0 0 412.877 2.905 50 0 HFAARN COc1ccc(-c2nn([C@@H](C)C(=O)NCCc3ccccc3)c(=O)cc2OC)cc1 ZINC000096101084 568691177 /nfs/dbraw/zinc/69/11/77/568691177.db2.gz JQNYAMXEYNHCJL-INIZCTEOSA-N 0 0 407.470 2.847 50 0 HFAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(Oc2cccnn2)CC1 ZINC000096102919 568691566 /nfs/dbraw/zinc/69/15/66/568691566.db2.gz QAIPZSAOZGVPED-CQSZACIVSA-N 0 0 400.866 2.553 50 0 HFAARN CO[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)s1 ZINC000096104864 568692363 /nfs/dbraw/zinc/69/23/63/568692363.db2.gz IIKGTDXHDPRFMK-MRXNPFEDSA-N 0 0 401.488 2.626 50 0 HFAARN CO[C@H](CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)c1ccc(C)s1 ZINC000096104818 568692414 /nfs/dbraw/zinc/69/24/14/568692414.db2.gz MLDTZQXNIKSCFY-MRXNPFEDSA-N 0 0 406.529 2.558 50 0 HFAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1ccc2c(c1)OCCCO2 ZINC000096114523 568694241 /nfs/dbraw/zinc/69/42/41/568694241.db2.gz IZUFSRYMYSMPSX-KRWDZBQOSA-N 0 0 407.426 2.657 50 0 biogenic HFAARN COCCCNC(=O)Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000096114827 568694296 /nfs/dbraw/zinc/69/42/96/568694296.db2.gz UAGMFXFOANLFGF-UHFFFAOYSA-N 0 0 416.481 2.727 50 0 biogenic HFAARN COCCCn1cc2c(c1-c1ccc(Br)cc1)c(=O)n(C)c(=O)n2C ZINC000012390638 568694721 /nfs/dbraw/zinc/69/47/21/568694721.db2.gz WYEFZVJVRYPTCZ-UHFFFAOYSA-N 0 0 406.280 2.505 50 0 HFAARN COc1ccc2c(ccn2CCNC(=O)Cn2cc(-c3ccccc3)ncc2=O)c1 ZINC000096118395 568698202 /nfs/dbraw/zinc/69/82/02/568698202.db2.gz VRSGPJPUUHCNKT-UHFFFAOYSA-N 0 0 402.454 2.690 50 0 HFAARN CCOC(=O)C1=C(CSc2nncn2C(C)C)NC(=O)N[C@@H]1c1cccs1 ZINC000012400366 568700071 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568723552 /nfs/dbraw/zinc/72/35/52/568723552.db2.gz DRDRTEUVLGDMKY-UHFFFAOYSA-N 0 0 402.472 2.828 50 0 HFAARN CCc1ccc(NC(=O)CN2CCCN(Cc3ccccc3C)S2(=O)=O)cc1 ZINC000021629137 568724724 /nfs/dbraw/zinc/72/47/24/568724724.db2.gz ACEZQUAMRFFOPU-UHFFFAOYSA-N 0 0 401.532 2.949 50 0 HFAARN CCc1ccc(NC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)cc1 ZINC000021629464 568724960 /nfs/dbraw/zinc/72/49/60/568724960.db2.gz YAJHQIHUYFLTJT-UHFFFAOYSA-N 0 0 405.495 2.779 50 0 HFAARN CCc1ccc(NC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000021635204 568725368 /nfs/dbraw/zinc/72/53/68/568725368.db2.gz PWJHSVMQQBTBLK-UHFFFAOYSA-N 0 0 407.470 2.849 50 0 HFAARN Cc1ccc(Cc2c(C)nc(C(C)C)nc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096317195 568726357 /nfs/dbraw/zinc/72/63/57/568726357.db2.gz PADJWHLQUVCUHC-UHFFFAOYSA-N 0 0 402.564 2.889 50 0 HFAARN CCc1nc(C)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1Cc1cccc(OC)c1 ZINC000096317569 568726868 /nfs/dbraw/zinc/72/68/68/568726868.db2.gz ZHQDBFXQDYZOEA-LJQANCHMSA-N 0 0 424.545 2.632 50 0 HFAARN Cc1cccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SCC2=O)c1 ZINC000021643471 568727785 /nfs/dbraw/zinc/72/77/85/568727785.db2.gz CPPISWAIFSEAMJ-UHFFFAOYSA-N 0 0 418.540 2.655 50 0 HFAARN Cc1[nH]c(C(=O)Nc2ccc(Cl)cc2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320016 568728423 /nfs/dbraw/zinc/72/84/23/568728423.db2.gz TVFLWFXLDQAUST-UHFFFAOYSA-N 0 0 411.911 2.867 50 0 HFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCc1cccs1 ZINC000021649782 568728756 /nfs/dbraw/zinc/72/87/56/568728756.db2.gz TUURKYYPWGYGEP-UHFFFAOYSA-N 0 0 405.479 2.589 50 0 HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[C@@H](OCc2ccncc2)C1 ZINC000239672499 568729731 /nfs/dbraw/zinc/72/97/31/568729731.db2.gz BTLTWPXPGIDNCO-GHTZIAJQSA-N 0 0 424.545 2.721 50 0 HFAARN O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)Nc1ccc(F)cc1 ZINC000096322495 568730487 /nfs/dbraw/zinc/73/04/87/568730487.db2.gz DVSCXIVGYZCSSI-UHFFFAOYSA-N 0 0 420.379 2.728 50 0 HFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000096323439 568731956 /nfs/dbraw/zinc/73/19/56/568731956.db2.gz HKLBEGJWQSABPZ-UHFFFAOYSA-N 0 0 422.526 2.675 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)cc1 ZINC000096324745 568734318 /nfs/dbraw/zinc/73/43/18/568734318.db2.gz MQFOJENRTNRWHV-SFHVURJKSA-N 0 0 419.485 2.649 50 0 HFAARN CC(=O)c1cccc(NC(=O)Cn2c3nc(-c4ccccc4)nn3c(=O)cc2C)c1 ZINC000021659229 568735116 /nfs/dbraw/zinc/73/51/16/568735116.db2.gz KSIOZJGLTHYZAH-UHFFFAOYSA-N 0 0 401.426 2.708 50 0 HFAARN COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(F)cc2)cc1 ZINC000245238311 568736059 /nfs/dbraw/zinc/73/60/59/568736059.db2.gz JLYNOMVNFPMSSJ-RVKKMQEKSA-N 0 0 412.339 2.938 50 0 HFAARN COc1ccc(CC(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C(C)C)c(Cl)c1 ZINC000096332395 568736240 /nfs/dbraw/zinc/73/62/40/568736240.db2.gz CUFBXZNTCJFWQS-IBGZPJMESA-N 0 0 414.893 2.969 50 0 HFAARN CNC(=O)Cc1noc(CN(Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)n1 ZINC000557226692 568736496 /nfs/dbraw/zinc/73/64/96/568736496.db2.gz RSPGZNOMVHSSNX-DOTOQJQBSA-N 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ZINC000025057182 568740820 /nfs/dbraw/zinc/74/08/20/568740820.db2.gz MFNRREYTSANVOI-UHFFFAOYSA-N 0 0 416.275 2.501 50 0 HFAARN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)o1 ZINC000096379572 568741157 /nfs/dbraw/zinc/74/11/57/568741157.db2.gz KZJDNNNVZZUMOJ-UHFFFAOYSA-N 0 0 419.482 2.640 50 0 HFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)no1 ZINC000021701816 568741703 /nfs/dbraw/zinc/74/17/03/568741703.db2.gz RYGMGBQQNAJWHY-UHFFFAOYSA-N 0 0 408.480 2.757 50 0 HFAARN COC(=O)c1ccc(NC(=O)Cn2c3cccnc3n(-c3ccc(C)cc3)c2=O)cc1 ZINC000096385566 568742011 /nfs/dbraw/zinc/74/20/11/568742011.db2.gz VFWHOVBZKHNBFB-UHFFFAOYSA-N 0 0 416.437 2.921 50 0 HFAARN O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000096385687 568742028 /nfs/dbraw/zinc/74/20/28/568742028.db2.gz FQQSYYLFTCDWBD-UHFFFAOYSA-N 0 0 420.400 2.736 50 0 HFAARN COc1ccc(-n2c3ncccc3n(CC(=O)NCc3cccc(OC)c3)c2=O)cc1 ZINC000096385662 568742048 /nfs/dbraw/zinc/74/20/48/568742048.db2.gz BSYZQVXNKFVIFQ-UHFFFAOYSA-N 0 0 418.453 2.521 50 0 HFAARN O=C(Cc1ccc(F)cc1)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 ZINC000096385971 568742310 /nfs/dbraw/zinc/74/23/10/568742310.db2.gz FPUIWXZZOLEEJO-UHFFFAOYSA-N 0 0 404.445 2.744 50 0 HFAARN COc1cccc(C(=O)NCCn2c3ncccc3n(Cc3cccc(C)c3)c2=O)c1 ZINC000096386106 568742467 /nfs/dbraw/zinc/74/24/67/568742467.db2.gz VEOMKLMCBCLSGA-UHFFFAOYSA-N 0 0 416.481 2.993 50 0 HFAARN Cc1csc2nc(CN3CCN(C(=O)c4ccccc4Cl)CC3)cc(=O)n12 ZINC000018933303 568742680 /nfs/dbraw/zinc/74/26/80/568742680.db2.gz PJYULIWKQVADRC-UHFFFAOYSA-N 0 0 402.907 2.676 50 0 HFAARN Cc1ccc(-n2c(CC(=O)N3CCC4(CC3)OCCO4)c3[nH]cccc-3c2=O)cc1 ZINC000096386914 568743754 /nfs/dbraw/zinc/74/37/54/568743754.db2.gz BQFUJONQHLCHFH-LJQANCHMSA-N 0 0 407.470 2.847 50 0 HFAARN COc1cc(CNC(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)cc(OC)c1 ZINC000096387304 568744250 /nfs/dbraw/zinc/74/42/50/568744250.db2.gz RWLOCTACHPDFNG-MRXNPFEDSA-N 0 0 407.474 2.575 50 0 HFAARN CSc1cccc(NC2=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)c1 ZINC000015019348 568744638 /nfs/dbraw/zinc/74/46/38/568744638.db2.gz FWPKJXPKHATSOI-UHFFFAOYSA-N 0 0 416.524 2.835 50 0 HFAARN COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(c2ccc(F)c(C)c2)C1=O ZINC000096396368 568744918 /nfs/dbraw/zinc/74/49/18/568744918.db2.gz QTRYPKYVCKCWQI-HNNXBMFYSA-N 0 0 412.870 2.880 50 0 HFAARN Cc1oc(C2CCN(C(=O)Cc3ccc(C)cc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096396965 568745662 /nfs/dbraw/zinc/74/56/62/568745662.db2.gz RXJAETGKOZCNTR-UHFFFAOYSA-N 0 0 411.502 2.713 50 0 HFAARN Cc1oc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1C(=O)N1CCCC1 ZINC000096397147 568745958 /nfs/dbraw/zinc/74/59/58/568745958.db2.gz TWGWZZDNQGMOIJ-UHFFFAOYSA-N 0 0 417.531 2.928 50 0 HFAARN COc1cccc(CNC(=O)Cc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn32)c1 ZINC000096397956 568746571 /nfs/dbraw/zinc/74/65/71/568746571.db2.gz JMTRZONMWIMPTN-UHFFFAOYSA-N 0 0 407.405 2.504 50 0 HFAARN Cc1ccc(S(=O)(=O)NCC2CCN(c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096398194 568746719 /nfs/dbraw/zinc/74/67/19/568746719.db2.gz XIDIFZZCXNTCBE-UHFFFAOYSA-N 0 0 411.531 2.975 50 0 HFAARN 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O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000012695163 568916084 /nfs/dbraw/zinc/91/60/84/568916084.db2.gz FBLMOWFHZLKJQG-UHFFFAOYSA-N 0 0 415.393 2.716 50 0 HFAARN COc1cc(OC)cc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCc2ccccc2)C3)c1 ZINC000004143781 568916195 /nfs/dbraw/zinc/91/61/95/568916195.db2.gz PFPLNMJYTNCLSB-NRFANRHFSA-N 0 0 407.470 2.739 50 0 HFAARN C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)NC(=O)NC1CC1 ZINC000012719968 568918135 /nfs/dbraw/zinc/91/81/35/568918135.db2.gz VHHVXVVMOXWRCW-ZDUSSCGKSA-N 0 0 400.406 2.938 50 0 HFAARN O=C(C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1)O[C@@H]1CCOC1=O ZINC000019175276 568918389 /nfs/dbraw/zinc/91/83/89/568918389.db2.gz YUCFTYWVOUFJHM-IAGOWNOFSA-N 0 0 423.874 2.608 50 0 HFAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000004510158 568918404 /nfs/dbraw/zinc/91/84/04/568918404.db2.gz LQSAYUHGMZAFES-UHFFFAOYSA-N 0 0 413.528 2.956 50 0 HFAARN CN(C)C(=O)CCN1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000083844019 568918535 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408.893 2.843 50 0 HFAARN C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012741841 568929828 /nfs/dbraw/zinc/92/98/28/568929828.db2.gz WNPHVSRMRVOIAW-CYBMUJFWSA-N 0 0 411.389 2.967 50 0 HFAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012743697 568930239 /nfs/dbraw/zinc/93/02/39/568930239.db2.gz WOKKGUXPCBEUTP-ZDUSSCGKSA-N 0 0 414.333 2.891 50 0 HFAARN Cc1ccc(CN2CC(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000031773734 568930825 /nfs/dbraw/zinc/93/08/25/568930825.db2.gz UGIQFBPLGRJXRK-VQTJNVASSA-N 0 0 418.946 2.971 50 0 HFAARN Cc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000031773741 568930890 /nfs/dbraw/zinc/93/08/90/568930890.db2.gz VVJGWBIAJCDRSL-RBUKOAKNSA-N 0 0 422.909 2.802 50 0 HFAARN COC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012745692 568931473 /nfs/dbraw/zinc/93/14/73/568931473.db2.gz QNAAJDSAMKYGGM-UHFFFAOYSA-N 0 0 409.438 2.980 50 0 HFAARN COc1ccc(C[C@H](CO)CNC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1O ZINC000084028653 568933306 /nfs/dbraw/zinc/93/33/06/568933306.db2.gz IEWZJQMTHVBMKG-INIZCTEOSA-N 0 0 412.490 2.616 50 0 HFAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000016650719 568935194 /nfs/dbraw/zinc/93/51/94/568935194.db2.gz ZISTXPZWMZUBQK-UHFFFAOYSA-N 0 0 409.533 2.808 50 0 HFAARN Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3ccc(CS(C)(=O)=O)cc3)C2=O)c1 ZINC000084083717 568936569 /nfs/dbraw/zinc/93/65/69/568936569.db2.gz LEMKQKKEAWVWHB-LJQANCHMSA-N 0 0 400.500 2.840 50 0 HFAARN O=c1cc(Cc2nnc(SCc3cccc(F)c3)n2-c2ccccc2)[nH]c(=O)[nH]1 ZINC000004061333 568937092 /nfs/dbraw/zinc/93/70/92/568937092.db2.gz MENBKPNNCQCQIK-UHFFFAOYSA-N 0 0 409.446 2.666 50 0 HFAARN CCCNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004064367 568937309 /nfs/dbraw/zinc/93/73/09/568937309.db2.gz JOZUTRHSMRQYDN-HYVJGQCMSA-N 0 0 420.550 2.907 50 0 biogenic HFAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3ccccc3F)CS[C@H]21 ZINC000004081892 568939147 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KRQZCVGUVULQIL-LJQANCHMSA-N 0 0 423.966 2.931 50 0 HFAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012757212 568944290 /nfs/dbraw/zinc/94/42/90/568944290.db2.gz HZOJOEJFSOKKPI-MRXNPFEDSA-N 0 0 418.291 2.941 50 0 HFAARN Cc1ccc(S(=O)(=O)c2nc(N[C@H]3CCS(=O)(=O)C3)sc2Cl)cc1 ZINC000004160010 568947352 /nfs/dbraw/zinc/94/73/52/568947352.db2.gz VZSFYRBKVWBEFH-JTQLQIEISA-N 0 0 406.938 2.537 50 0 HFAARN O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(N2CCCCC2=O)CC1 ZINC000084367846 568947417 /nfs/dbraw/zinc/94/74/17/568947417.db2.gz DMLKYTHHIAXNOC-OAHLLOKOSA-N 0 0 403.910 2.696 50 0 HFAARN CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000004162951 568947560 /nfs/dbraw/zinc/94/75/60/568947560.db2.gz OWBPEMDTMRKZSC-UHFFFAOYSA-N 0 0 403.342 2.766 50 0 HFAARN COc1ccc(-c2nnc3ccc(SCC(=O)NC4CCCC4)nn32)cc1OC ZINC000004165152 568947964 /nfs/dbraw/zinc/94/79/64/568947964.db2.gz FBLLREYKMRHJJX-UHFFFAOYSA-N 0 0 413.503 2.959 50 0 HFAARN 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COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)cc1 ZINC000575610281 569032389 /nfs/dbraw/zinc/03/23/89/569032389.db2.gz GZLBSPPRKPQJIQ-CYBMUJFWSA-N 0 0 411.867 2.755 50 0 HFAARN CCc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCC(C)CC3)c2=O)cc1 ZINC000004905846 569032940 /nfs/dbraw/zinc/03/29/40/569032940.db2.gz YMTLAHQCNHRUGI-UHFFFAOYSA-N 0 0 405.498 2.973 50 0 HFAARN COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000000909081 569033090 /nfs/dbraw/zinc/03/30/90/569033090.db2.gz QPBZUNMZVMIAIG-RVKKMQEKSA-N 0 0 410.348 2.505 50 0 HFAARN C[C@@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000035343873 569033336 /nfs/dbraw/zinc/03/33/36/569033336.db2.gz WAKGHUCCSACPSB-SFHVURJKSA-N 0 0 421.607 2.691 50 0 HFAARN Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000006218529 569033398 /nfs/dbraw/zinc/03/33/98/569033398.db2.gz AFQYOWJXFROHOA-UHFFFAOYSA-N 0 0 408.907 2.599 50 0 HFAARN COc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000035363880 569033592 /nfs/dbraw/zinc/03/35/92/569033592.db2.gz GWZMFQLITHUZQN-FCHUYYIVSA-N 0 0 409.530 2.557 50 0 biogenic HFAARN O=C(Cc1ccccc1)NCC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035375823 569034056 /nfs/dbraw/zinc/03/40/56/569034056.db2.gz NLDWNCZKXCGVBV-UHFFFAOYSA-N 0 0 422.460 2.941 50 0 HFAARN Cc1oc2ncn(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)c2c1C ZINC000035378457 569034277 /nfs/dbraw/zinc/03/42/77/569034277.db2.gz OLIJJJJBLHWPLP-UHFFFAOYSA-N 0 0 408.502 2.962 50 0 HFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C(C)=O)c1)C(=O)CO2 ZINC000035377075 569034413 /nfs/dbraw/zinc/03/44/13/569034413.db2.gz ZJKTXGKDEQNGAZ-UHFFFAOYSA-N 0 0 423.469 2.735 50 0 HFAARN Cc1csc(CC(=O)N2CCN(CC(=O)Nc3cccc4ccccc43)CC2)n1 ZINC000035380039 569034554 /nfs/dbraw/zinc/03/45/54/569034554.db2.gz SYUXGQNPTYGPLX-UHFFFAOYSA-N 0 0 408.527 2.930 50 0 HFAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(C(C)=O)CC1 ZINC000035388195 569034607 /nfs/dbraw/zinc/03/46/07/569034607.db2.gz MHYBCQIVPQFPEJ-UHFFFAOYSA-N 0 0 419.503 2.596 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000035413665 569036104 /nfs/dbraw/zinc/03/61/04/569036104.db2.gz JDMOBODRBFZPFS-UHFFFAOYSA-N 0 0 421.950 2.902 50 0 HFAARN CCCn1c(=O)cc(C(=O)Nc2ccc(C)cc2C)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422415 569036291 /nfs/dbraw/zinc/03/62/91/569036291.db2.gz OXUAFMXGQSHWAA-UHFFFAOYSA-N 0 0 424.501 2.551 50 0 HFAARN Cc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 ZINC000035430719 569036729 /nfs/dbraw/zinc/03/67/29/569036729.db2.gz DMOHSLIDGWJYJH-UHFFFAOYSA-N 0 0 404.514 2.962 50 0 biogenic HFAARN O=C(CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2)Nc1ccc(F)c(Cl)c1 ZINC000035430781 569036796 /nfs/dbraw/zinc/03/67/96/569036796.db2.gz VVJOTOKULAWUMP-UHFFFAOYSA-N 0 0 414.868 2.829 50 0 HFAARN O=c1c2cccnc2ncn1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000575616525 569036798 /nfs/dbraw/zinc/03/67/98/569036798.db2.gz JWWSSRTXPPBITD-UHFFFAOYSA-N 0 0 424.526 2.696 50 0 HFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c(OC)c1 ZINC000035432310 569036995 /nfs/dbraw/zinc/03/69/95/569036995.db2.gz NAHVXPAYYMHTPM-UHFFFAOYSA-N 0 0 422.485 2.955 50 0 HFAARN Cc1ccc(C2=NC3(CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)NC2=O)cc1 ZINC000035432275 569037079 /nfs/dbraw/zinc/03/70/79/569037079.db2.gz LULGGDRXUKMEIG-UHFFFAOYSA-N 0 0 406.442 2.667 50 0 HFAARN Cn1c(=O)c(C(=O)N2CC=C(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000035446186 569037220 /nfs/dbraw/zinc/03/72/20/569037220.db2.gz WGDOKNOBZKQNDJ-UHFFFAOYSA-N 0 0 422.872 2.514 50 0 HFAARN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(F)c(F)c2)S1(=O)=O ZINC000035447232 569037388 /nfs/dbraw/zinc/03/73/88/569037388.db2.gz LTQNKDQGSGSNQF-UHFFFAOYSA-N 0 0 409.458 2.664 50 0 HFAARN Cc1nc(N2CCN(c3ncc(Br)cn3)CC2)cc(C(F)(F)F)n1 ZINC000575617801 569037601 /nfs/dbraw/zinc/03/76/01/569037601.db2.gz WWHULVMMKGUBDQ-UHFFFAOYSA-N 0 0 403.206 2.683 50 0 HFAARN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)Cc3ccccc32)cn1 ZINC000575620566 569038860 /nfs/dbraw/zinc/03/88/60/569038860.db2.gz VABLJCXEJZRXQS-IBGZPJMESA-N 0 0 411.483 2.528 50 0 HFAARN O=S(=O)(NC[C@@H](OCCO)c1cccs1)c1ccccc1Br ZINC000575621800 569039003 /nfs/dbraw/zinc/03/90/03/569039003.db2.gz UXVNLLYXQZOSBW-GFCCVEGCSA-N 0 0 406.323 2.539 50 0 HFAARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCCc3ccccc3)[C@@H]4C2=O)c1 ZINC000035485563 569039780 /nfs/dbraw/zinc/03/97/80/569039780.db2.gz DHTHYYGWDDMXFM-WTEVXDJOSA-N 0 0 418.493 2.731 50 0 HFAARN CC(=O)c1ccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000006313285 569040107 /nfs/dbraw/zinc/04/01/07/569040107.db2.gz XAVXFOHSYYDFGV-UHFFFAOYSA-N 0 0 404.469 2.920 50 0 HFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCCN1CCOCC1 ZINC000012793649 569040395 /nfs/dbraw/zinc/04/03/95/569040395.db2.gz LDHLVMOTZMTOIA-BQYQJAHWSA-N 0 0 402.926 2.663 50 0 HFAARN CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)Nc1nc(-c3cccnc3)cs1)CS2 ZINC000090609727 569042502 /nfs/dbraw/zinc/04/25/02/569042502.db2.gz SIJVWHFNXRSPKQ-CYBMUJFWSA-N 0 0 413.528 2.993 50 0 HFAARN COc1cc(C(=O)NCc2cccc(Cl)c2)ccc1OCC(=O)N1CCOCC1 ZINC000012978512 569042601 /nfs/dbraw/zinc/04/26/01/569042601.db2.gz ROYOJYMKSRQDQK-UHFFFAOYSA-N 0 0 418.877 2.516 50 0 HFAARN Cc1cc(C)n(-c2cc(NC(=O)[C@H](C)n3nc(-c4cccs4)ccc3=O)ncn2)n1 ZINC000090614269 569042946 /nfs/dbraw/zinc/04/29/46/569042946.db2.gz ODZRIMPCVPUMKM-AWEZNQCLSA-N 0 0 421.486 2.764 50 0 HFAARN CCn1nnc2cc(-c3noc([C@H](C)NS(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035511133 569043033 /nfs/dbraw/zinc/04/30/33/569043033.db2.gz LAQIQSJKYVKNGJ-ZDUSSCGKSA-N 0 0 412.475 2.849 50 0 HFAARN CCC1=C(c2ccc(OC)cc2)S(=O)(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000035534736 569043480 /nfs/dbraw/zinc/04/34/80/569043480.db2.gz KAEMOMAZKLJYEP-UHFFFAOYSA-N 0 0 418.446 2.766 50 0 HFAARN COc1ccc2[nH]c(C(=O)N3CCN(C(=O)COc4cccc(C)c4)CC3)cc2c1 ZINC000035537007 569043639 /nfs/dbraw/zinc/04/36/39/569043639.db2.gz QIAAXSJMVNCREM-UHFFFAOYSA-N 0 0 407.470 2.848 50 0 HFAARN CC(C)Cn1c(CNS(=O)(=O)c2cccc3nsnc32)nc2cccnc21 ZINC000035526535 569043804 /nfs/dbraw/zinc/04/38/04/569043804.db2.gz MLFCTMMDEQGBDQ-UHFFFAOYSA-N 0 0 402.505 2.571 50 0 HFAARN O=C(C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)N1CCOCC1 ZINC000035528035 569043936 /nfs/dbraw/zinc/04/39/36/569043936.db2.gz FRLBIKBOUMLDNG-UHFFFAOYSA-N 0 0 419.485 2.874 50 0 HFAARN O=C(COc1ccccc1/C=C1\NC(=S)N(Cc2ccco2)C1=O)N1CCCC1 ZINC000014183971 569044043 /nfs/dbraw/zinc/04/40/43/569044043.db2.gz UOULEHYRFXOOKF-ATVHPVEESA-N 0 0 411.483 2.539 50 0 HFAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)N1CCc2ccccc21 ZINC000035558892 569044828 /nfs/dbraw/zinc/04/48/28/569044828.db2.gz KBZMWXHVEREBPI-UHFFFAOYSA-N 0 0 419.481 2.627 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)N2CCOCC2)cc1 ZINC000035559307 569044918 /nfs/dbraw/zinc/04/49/18/569044918.db2.gz WFAVJNDKNBHZNZ-OAQYLSRUSA-N 0 0 414.527 2.532 50 0 HFAARN CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 ZINC000035596802 569045577 /nfs/dbraw/zinc/04/55/77/569045577.db2.gz XIKVSVDWYNRMFT-UHFFFAOYSA-N 0 0 416.484 2.641 50 0 HFAARN O=C(NCc1ccccn1)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 ZINC000035597586 569045805 /nfs/dbraw/zinc/04/58/05/569045805.db2.gz QPVKVVFXRZMRAM-UHFFFAOYSA-N 0 0 401.444 2.551 50 0 HFAARN O=C(c1cnccn1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598290 569045874 /nfs/dbraw/zinc/04/58/74/569045874.db2.gz QZOGEHXTLGADGI-UHFFFAOYSA-N 0 0 412.497 2.833 50 0 HFAARN Cc1ccc(NC(=O)CSc2nccn2C)cc1S(=O)(=O)N1CCCCC1 ZINC000006370217 569046090 /nfs/dbraw/zinc/04/60/90/569046090.db2.gz BAEURNABVWDBSW-UHFFFAOYSA-N 0 0 408.549 2.634 50 0 HFAARN Cc1cc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)ccc1Br ZINC000012980648 569046384 /nfs/dbraw/zinc/04/63/84/569046384.db2.gz RQEMJKVOGIVMQE-ZDUSSCGKSA-N 0 0 416.275 2.848 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(OC(C)C)cc1 ZINC000012987468 569047506 /nfs/dbraw/zinc/04/75/06/569047506.db2.gz WMKAYCRLIYQDCX-SFHVURJKSA-N 0 0 419.547 2.919 50 0 HFAARN NC(=O)[C@@H]1CC(C(=O)Nc2ccc(Br)cc2F)=NN1c1ccccc1 ZINC000012984027 569047604 /nfs/dbraw/zinc/04/76/04/569047604.db2.gz FMLRCLXZYFMGNV-HNNXBMFYSA-N 0 0 405.227 2.647 50 0 HFAARN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(Oc2cnccn2)CC1 ZINC000090678029 569047893 /nfs/dbraw/zinc/04/78/93/569047893.db2.gz RDOUSPSNIOELAX-CQSZACIVSA-N 0 0 400.866 2.553 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000036007112 569047980 /nfs/dbraw/zinc/04/79/80/569047980.db2.gz IPHMANLLSYGBFK-QFIPXVFZSA-N 0 0 419.481 2.643 50 0 HFAARN COc1ccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(OC)c1 ZINC000006841404 569047985 /nfs/dbraw/zinc/04/79/85/569047985.db2.gz PGYQJNBSJHSUFJ-UHFFFAOYSA-N 0 0 413.499 2.702 50 0 HFAARN Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cc1F ZINC000040159292 569048157 /nfs/dbraw/zinc/04/81/57/569048157.db2.gz XOISWLLIPRDLDP-RQZCQDPDSA-N 0 0 415.812 2.954 50 0 HFAARN CN(CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013003946 569049345 /nfs/dbraw/zinc/04/93/45/569049345.db2.gz JIZNSKMPRRVYPS-MJGOQNOKSA-N 0 0 416.568 2.986 50 0 HFAARN COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)cc1OC(F)F ZINC000013004764 569049524 /nfs/dbraw/zinc/04/95/24/569049524.db2.gz KKPFJBFTCPWZEE-UHFFFAOYSA-N 0 0 406.794 2.850 50 0 HFAARN O=C(NCc1ccccc1CN1CCOCC1)c1cc(Br)ccc1O ZINC000013006232 569049661 /nfs/dbraw/zinc/04/96/61/569049661.db2.gz SJMPHGHEQXORBV-UHFFFAOYSA-N 0 0 405.292 2.917 50 0 HFAARN Cc1ccc(CN2C[C@@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC000013011952 569050481 /nfs/dbraw/zinc/05/04/81/569050481.db2.gz LYLBAKVYOOESBA-APWZRJJASA-N 0 0 414.527 2.624 50 0 HFAARN COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1S(=O)(=O)N(C)C ZINC000006433043 569050752 /nfs/dbraw/zinc/05/07/52/569050752.db2.gz QKXQCDUIXBRSJL-UHFFFAOYSA-N 0 0 406.485 2.912 50 0 HFAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)c2c1 ZINC000215698949 569050781 /nfs/dbraw/zinc/05/07/81/569050781.db2.gz YRFNIUGKQJLCQF-BKUYFWCQSA-N 0 0 405.454 2.806 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000013015688 569050830 /nfs/dbraw/zinc/05/08/30/569050830.db2.gz BNYKZTUOFLOVPV-UHFFFAOYSA-N 0 0 417.531 2.702 50 0 HFAARN 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O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1cc(F)ccc1F ZINC000013799950 569257803 /nfs/dbraw/zinc/25/78/03/569257803.db2.gz NWYKSEFATGBLIV-UHFFFAOYSA-N 0 0 411.455 2.619 50 0 HFAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc(Cl)c1Cl ZINC000014263476 569259360 /nfs/dbraw/zinc/25/93/60/569259360.db2.gz BULLBROOJMJPII-UHFFFAOYSA-N 0 0 411.289 2.793 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3cccs3)cc2)C[C@H](C)O1 ZINC000014629561 569260866 /nfs/dbraw/zinc/26/08/66/569260866.db2.gz WKCJGAUWFGEBDQ-GASCZTMLSA-N 0 0 408.545 2.519 50 0 HFAARN Cc1ccc(OCCN(C)C(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC000089636963 569261447 /nfs/dbraw/zinc/26/14/47/569261447.db2.gz FYRDVAPYWSLRSD-UHFFFAOYSA-N 0 0 416.279 2.884 50 0 HFAARN Cc1ccc(NC(=O)CSCC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000089635028 569261518 /nfs/dbraw/zinc/26/15/18/569261518.db2.gz QAJFWTJINFZZFO-HNNXBMFYSA-N 0 0 409.552 2.944 50 0 HFAARN Cc1ccc(NC(=O)CSCC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000089635026 569261528 /nfs/dbraw/zinc/26/15/28/569261528.db2.gz QAJFWTJINFZZFO-OAHLLOKOSA-N 0 0 409.552 2.944 50 0 HFAARN Cc1ccc2c(c1)N(C(=O)Cn1nc3ccc(SC(C)(C)C)nn3c1=O)CCO2 ZINC000016844615 569265050 /nfs/dbraw/zinc/26/50/50/569265050.db2.gz DVTWIEYDNQYAMO-UHFFFAOYSA-N 0 0 413.503 2.516 50 0 HFAARN CCN(CC)c1ccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1 ZINC000016850901 569265935 /nfs/dbraw/zinc/26/59/35/569265935.db2.gz NTUBINASKPLLIZ-KRWDZBQOSA-N 0 0 416.547 2.830 50 0 HFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000016890852 569267002 /nfs/dbraw/zinc/26/70/02/569267002.db2.gz QFLNMTRALOYHKJ-QGZVFWFLSA-N 0 0 407.470 2.567 50 0 HFAARN CC(C)[C@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)C(=O)OC(C)(C)C ZINC000089891084 569267824 /nfs/dbraw/zinc/26/78/24/569267824.db2.gz NFBPQZBPRZLBAT-KRWDZBQOSA-N 0 0 400.479 2.779 50 0 HFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc(NC3CC3)s1)CCCC2 ZINC000007577462 569267869 /nfs/dbraw/zinc/26/78/69/569267869.db2.gz ZKLRJFFCEFZOOO-UHFFFAOYSA-N 0 0 409.562 2.882 50 0 HFAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 ZINC000016953422 569268297 /nfs/dbraw/zinc/26/82/97/569268297.db2.gz TVHOADQWVMSXHJ-UHFFFAOYSA-N 0 0 410.455 2.684 50 0 HFAARN COCc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)o1 ZINC000089929983 569268891 /nfs/dbraw/zinc/26/88/91/569268891.db2.gz RGTQWDXKDMRIAK-UHFFFAOYSA-N 0 0 420.531 2.918 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000014704267 569269504 /nfs/dbraw/zinc/26/95/04/569269504.db2.gz HOXNJKNFDPDOMH-GASCZTMLSA-N 0 0 406.479 2.554 50 0 HFAARN CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1-c1cscn1 ZINC000089955510 569269964 /nfs/dbraw/zinc/26/99/64/569269964.db2.gz YHMVWVUZNWJQJW-UHFFFAOYSA-N 0 0 406.533 2.981 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC(C)C)c12 ZINC000016993143 569270839 /nfs/dbraw/zinc/27/08/39/569270839.db2.gz AENDNEOCGCUVPT-CYBMUJFWSA-N 0 0 418.544 2.966 50 0 HFAARN CS(=O)(=O)c1ccc(CCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1 ZINC000207984583 569271219 /nfs/dbraw/zinc/27/12/19/569271219.db2.gz LXTIRVDNLBLQKZ-UHFFFAOYSA-N 0 0 413.495 2.711 50 0 HFAARN C[C@@H](c1ccccc1)n1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000017029293 569272093 /nfs/dbraw/zinc/27/20/93/569272093.db2.gz NUSXXRAVVHGQJG-RNODOKPDSA-N 0 0 402.454 2.568 50 0 biogenic HFAARN CCOC(=O)c1c2c(sc1NC(=O)COn1nnc3ccccc31)CCCC2 ZINC000017117996 569274986 /nfs/dbraw/zinc/27/49/86/569274986.db2.gz XDCBREAEOWFKCT-UHFFFAOYSA-N 0 0 400.460 2.616 50 0 HFAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(C)c(Cl)c2)c3=O)cc1 ZINC000017120753 569275122 /nfs/dbraw/zinc/27/51/22/569275122.db2.gz QMCQVHNCHSICOE-UHFFFAOYSA-N 0 0 424.848 2.586 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C\c2ccc(OC)cc2)n2ccccc2=O)C1 ZINC000008958918 569275556 /nfs/dbraw/zinc/27/55/56/569275556.db2.gz MBXQYIQPLFKDAL-KETZHDHUSA-N 0 0 410.470 2.657 50 0 HFAARN COc1ccc(NC(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000017149050 569275747 /nfs/dbraw/zinc/27/57/47/569275747.db2.gz 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O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccccc2F)CC1)C1CC1 ZINC000037523843 569303749 /nfs/dbraw/zinc/30/37/49/569303749.db2.gz WYIFPVPXLOZCQD-HXUWFJFHSA-N 0 0 415.509 2.585 50 0 HFAARN CC1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000037580676 569308140 /nfs/dbraw/zinc/30/81/40/569308140.db2.gz WTRDEHNWLLJSQE-UHFFFAOYSA-N 0 0 421.545 2.748 50 0 HFAARN Cc1c(C(=O)O[C@H](C)C(=O)N2CCCCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000007769477 569308220 /nfs/dbraw/zinc/30/82/20/569308220.db2.gz UAGHGCKPJSYPJX-CYBMUJFWSA-N 0 0 403.504 2.661 50 0 HFAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1S(N)(=O)=O ZINC000007775944 569308483 /nfs/dbraw/zinc/30/84/83/569308483.db2.gz OUODLNQFAWPJAG-UHFFFAOYSA-N 0 0 412.393 2.650 50 0 HFAARN COC(=O)c1ccccc1NC(=O)COc1ncnc2c1cnn2-c1ccccc1 ZINC000007780068 569309398 /nfs/dbraw/zinc/30/93/98/569309398.db2.gz JMSNQIMPWJSHQI-UHFFFAOYSA-N 0 0 403.398 2.620 50 0 HFAARN COCCN(C[C@H]1CN(C(=O)c2ccc(C)cc2)CCO1)C(=O)c1ccccc1F ZINC000037611142 569309880 /nfs/dbraw/zinc/30/98/80/569309880.db2.gz JUCZIWCNRLNTLH-LJQANCHMSA-N 0 0 414.477 2.764 50 0 HFAARN Cc1cccc(N2CCN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CC2)c1 ZINC000027384690 569310818 /nfs/dbraw/zinc/31/08/18/569310818.db2.gz COHKVDYQJVCCCV-UHFFFAOYSA-N 0 0 408.546 2.588 50 0 HFAARN Cc1cccc(CSCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000007805880 569311874 /nfs/dbraw/zinc/31/18/74/569311874.db2.gz IKAMJBQNHXHRPU-UHFFFAOYSA-N 0 0 422.547 2.900 50 0 HFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)[C@@H](C(N)=O)c3cccc(F)c3)cc(Cl)c2O1 ZINC000195530531 569312040 /nfs/dbraw/zinc/31/20/40/569312040.db2.gz KUIINJXCOMHQFY-MGPLVRAMSA-N 0 0 412.870 2.650 50 0 HFAARN Cc1ccc(-c2noc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)n2)cc1 ZINC000007814526 569312586 /nfs/dbraw/zinc/31/25/86/569312586.db2.gz LPRXNZSBHMNHDI-SZNDQCEHSA-N 0 0 412.446 2.589 50 0 HFAARN O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(F)cc1 ZINC000002233156 569320072 /nfs/dbraw/zinc/32/00/72/569320072.db2.gz IUMCNPOFTUKFIK-UHFFFAOYSA-N 0 0 401.204 2.952 50 0 HFAARN CCOC(=O)[C@]1(C(F)(F)F)N=C(c2cccc(Cl)c2)OC(N2CCOCC2)=N1 ZINC000003103217 569323033 /nfs/dbraw/zinc/32/30/33/569323033.db2.gz QQOPKYYYDNMCJE-INIZCTEOSA-N 0 0 419.787 2.627 50 0 HFAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002250084 569324513 /nfs/dbraw/zinc/32/45/13/569324513.db2.gz WOGUMTFKTTWWMP-PIGZYNQJSA-N 0 0 418.471 2.832 50 0 HFAARN COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 ZINC000036372276 569358109 /nfs/dbraw/zinc/35/81/09/569358109.db2.gz TVYBDQDXSLBDGV-FSWSUDKZSA-N 0 0 416.514 2.678 50 0 HFAARN O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000253395178 569365168 /nfs/dbraw/zinc/36/51/68/569365168.db2.gz BQEBKZBCDNFMBL-LJQANCHMSA-N 0 0 416.480 2.529 50 0 HFAARN COc1ccc(CNC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 ZINC000253409457 569366433 /nfs/dbraw/zinc/36/64/33/569366433.db2.gz LWDUVWVSZJAMHP-UHFFFAOYSA-N 0 0 410.470 2.774 50 0 biogenic HFAARN CCOC(=O)c1ncn(C2CCN(C(=O)Nc3ccc(OCC)cc3)CC2)c1N ZINC000253425325 569368148 /nfs/dbraw/zinc/36/81/48/569368148.db2.gz SLOSTXVSPSKTPP-UHFFFAOYSA-N 0 0 401.467 2.910 50 0 HFAARN COc1cc(Br)c(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc1O ZINC000253426450 569368309 /nfs/dbraw/zinc/36/83/09/569368309.db2.gz VGOSPCAPXYTCAO-NSHDSACASA-N 0 0 411.300 2.734 50 0 HFAARN O=C(Nc1cc(NC(=O)[C@@H]2CCCOC2)nc(-c2ccccc2)n1)[C@@H]1CCCOC1 ZINC000253426912 569368316 /nfs/dbraw/zinc/36/83/16/569368316.db2.gz JDBKXBCQENLQQN-IAGOWNOFSA-N 0 0 410.474 2.874 50 0 HFAARN CC(C)(C)n1cnc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000253428842 569368580 /nfs/dbraw/zinc/36/85/80/569368580.db2.gz OKAUOGWOAKYFBI-UHFFFAOYSA-N 0 0 411.915 2.723 50 0 HFAARN Cc1c(Cl)c(C(=O)N(C)CCOc2ccccc2F)sc1S(N)(=O)=O ZINC000253430708 569368802 /nfs/dbraw/zinc/36/88/02/569368802.db2.gz LCDHJAVDZDBQFY-UHFFFAOYSA-N 0 0 406.888 2.647 50 0 HFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000253431674 569369687 /nfs/dbraw/zinc/36/96/87/569369687.db2.gz STGSMKLAKTWIFK-CXAGYDPISA-N 0 0 403.276 2.916 50 0 HFAARN COCCCNC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002304992 569372411 /nfs/dbraw/zinc/37/24/11/569372411.db2.gz GDXDCZHDTOVOIS-UHFFFAOYSA-N 0 0 419.485 2.990 50 0 HFAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC)cc21 ZINC000002350923 569381191 /nfs/dbraw/zinc/38/11/91/569381191.db2.gz WJBNYHBJMQAIBH-UHFFFAOYSA-N 0 0 401.209 2.859 50 0 HFAARN O=C(C[C@@]1(O)c2ccccc2N(CN2CCCCC2)C1=O)c1ccc2c(c1)OCCO2 ZINC000002354009 569385221 /nfs/dbraw/zinc/38/52/21/569385221.db2.gz FNVZBQPFSSJPGE-XMMPIXPASA-N 0 0 422.481 2.708 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1 ZINC000027646805 569385709 /nfs/dbraw/zinc/38/57/09/569385709.db2.gz FDMGONSVEUBJNV-UHFFFAOYSA-N 0 0 401.488 2.632 50 0 HFAARN CCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OCC ZINC000002363894 569387463 /nfs/dbraw/zinc/38/74/63/569387463.db2.gz PBPDYDDTDZXVGZ-AQTBWJFISA-N 0 0 421.478 2.523 50 0 HFAARN COCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@]12c1ccccc1N(C)C2=O ZINC000002364479 569387532 /nfs/dbraw/zinc/38/75/32/569387532.db2.gz SYLJVGNYBLLYIA-HSZRJFAPSA-N 0 0 422.412 2.644 50 0 HFAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccc(Cl)c1 ZINC000002375617 569389380 /nfs/dbraw/zinc/38/93/80/569389380.db2.gz ASMILQLJAIVXIV-UHFFFAOYSA-N 0 0 417.878 2.814 50 0 HFAARN COc1ccc(OC)c(N2C[C@H](C(=O)Nc3nnc(C(C)(C)C)s3)CC2=O)c1 ZINC000008268848 569389701 /nfs/dbraw/zinc/38/97/01/569389701.db2.gz FXHFSZJAFUZOMB-LLVKDONJSA-N 0 0 404.492 2.844 50 0 HFAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000008661423 569389993 /nfs/dbraw/zinc/38/99/93/569389993.db2.gz WXCVYKHBTVLPHM-UHFFFAOYSA-N 0 0 423.494 2.799 50 0 HFAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000009910570 569394439 /nfs/dbraw/zinc/39/44/39/569394439.db2.gz YPWPHHBOMWGVJR-ZHZULCJRSA-N 0 0 418.453 2.840 50 0 HFAARN CC1(C)Cc2c(sc3nc(SCC(=O)NC[C@@H]4CCCO4)nc(N)c23)CO1 ZINC000002410808 569396862 /nfs/dbraw/zinc/39/68/62/569396862.db2.gz RCJISGIGCIOZJU-JTQLQIEISA-N 0 0 408.549 2.512 50 0 HFAARN O=C(NCc1cn2ccccc2n1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000007944426 569402177 /nfs/dbraw/zinc/40/21/77/569402177.db2.gz OIOVAWASFAQBDZ-UHFFFAOYSA-N 0 0 418.906 2.702 50 0 HFAARN Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000012815094 569403850 /nfs/dbraw/zinc/40/38/50/569403850.db2.gz YFZDXDPLZHJSLC-AWEZNQCLSA-N 0 0 411.487 2.805 50 0 HFAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccccc3Cl)CN1C(=O)CN(CCO)C2=O ZINC000012872176 569404312 /nfs/dbraw/zinc/40/43/12/569404312.db2.gz GPLXEWDJCRMGFO-MWTRTKDXSA-N 0 0 423.900 2.845 50 0 biogenic HFAARN COc1cc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)ccc1OCC(N)=O ZINC000012905210 569404911 /nfs/dbraw/zinc/40/49/11/569404911.db2.gz AHXATHBCISXYMX-ZSOIEALJSA-N 0 0 418.352 2.505 50 0 HFAARN O=C(/C=C/c1cccc2cccnc12)OCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000012904654 569404920 /nfs/dbraw/zinc/40/49/20/569404920.db2.gz HXDADRDKOYCHAL-ZGKFYVQTSA-N 0 0 404.422 2.747 50 0 HFAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 ZINC000012980297 569405825 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CCSc1nc2c3c(sc2c(N2CCN(CCO)CC2)n1)CC(C)(C)OC3 ZINC000020590169 521785390 /nfs/dbraw/zinc/78/53/90/521785390.db2.gz RHUVFWRRJMQPES-UHFFFAOYSA-N 0 0 408.593 2.769 50 0 HFAARN CCc1ccccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000000916407 521848749 /nfs/dbraw/zinc/84/87/49/521848749.db2.gz LRFQCXAOZRPFPV-UHFFFAOYSA-N 0 0 419.522 2.503 50 0 HFAARN COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Nc1ccc(NC(C)=O)c(C)c1 ZINC000032760708 521904215 /nfs/dbraw/zinc/90/42/15/521904215.db2.gz SHGGCCKLERXBFS-UHFFFAOYSA-N 0 0 405.476 2.734 50 0 HFAARN COCCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072400757 522078875 /nfs/dbraw/zinc/07/88/75/522078875.db2.gz KYMPMUZWMDNTMK-UHFFFAOYSA-N 0 0 405.498 2.606 50 0 HFAARN COCCn1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1=O ZINC000032900648 522147081 /nfs/dbraw/zinc/14/70/81/522147081.db2.gz DJUXZTXBLYVVRT-UHFFFAOYSA-N 0 0 407.430 2.786 50 0 HFAARN COC(=O)c1ccccc1N(C)C(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100443 522266070 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/nfs/dbraw/zinc/56/63/64/523566364.db2.gz KBFXAJPSUKARKH-UHFFFAOYSA-N 0 0 400.504 2.714 50 0 HFAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000000881523 523682477 /nfs/dbraw/zinc/68/24/77/523682477.db2.gz QBOPLHQUNYVENH-UHFFFAOYSA-N 0 0 401.488 2.667 50 0 HFAARN CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)ccc21 ZINC000015684156 523763363 /nfs/dbraw/zinc/76/33/63/523763363.db2.gz VLKKDKQABAPPSB-UHFFFAOYSA-N 0 0 401.492 2.732 50 0 HFAARN COc1ccc(CC(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)cc1Cl ZINC000225749398 523903767 /nfs/dbraw/zinc/90/37/67/523903767.db2.gz MUWXOYMJEVDNIN-UHFFFAOYSA-N 0 0 412.837 2.609 50 0 HFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032124505 523908197 /nfs/dbraw/zinc/90/81/97/523908197.db2.gz UPFKHIAIYIAYQG-BEFAXECRSA-N 0 0 423.444 2.560 50 0 biogenic HFAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000045899389 524075817 /nfs/dbraw/zinc/07/58/17/524075817.db2.gz SNJJUTGKYXJCSE-UHFFFAOYSA-N 0 0 413.477 2.798 50 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Cc1ccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)cc1C ZINC000045970655 525105592 /nfs/dbraw/zinc/10/55/92/525105592.db2.gz IEOLDCWWYJHQLT-UHFFFAOYSA-N 0 0 415.544 2.662 50 0 HFAARN Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c(C)c1 ZINC000040478049 525106304 /nfs/dbraw/zinc/10/63/04/525106304.db2.gz BVYBQQQYHYUSGZ-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN CS(=O)(=O)N1CCN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC000044225880 525172052 /nfs/dbraw/zinc/17/20/52/525172052.db2.gz YHNSLAQQPNFUBI-UHFFFAOYSA-N 0 0 406.479 2.654 50 0 HFAARN CS(=O)(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 ZINC000032753321 525278511 /nfs/dbraw/zinc/27/85/11/525278511.db2.gz GXOUTMFOTOOCNN-UHFFFAOYSA-N 0 0 423.922 2.631 50 0 HFAARN Cc1ccc(Nc2nc(N)nc(C[S@@](=O)CC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000032801478 525328003 /nfs/dbraw/zinc/32/80/03/525328003.db2.gz NBDDTTUQDMUNRT-LJAQVGFWSA-N 0 0 414.466 2.532 50 0 HFAARN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000032797379 525360806 /nfs/dbraw/zinc/36/08/06/525360806.db2.gz SABZCBMLQGEVNE-ZDUSSCGKSA-N 0 0 401.937 2.868 50 0 HFAARN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NCc1ccccc1OC(F)F ZINC000032889488 525578388 /nfs/dbraw/zinc/57/83/88/525578388.db2.gz LOPUXXKFDCMRCH-LLVKDONJSA-N 0 0 418.849 2.925 50 0 HFAARN Cc1c(C(=O)NCCN2CCOCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCC1)O3 ZINC000020560093 525613547 /nfs/dbraw/zinc/61/35/47/525613547.db2.gz WQWIGACNDPOIOT-MRXNPFEDSA-N 0 0 414.502 2.932 50 0 biogenic HFAARN Cc1c(OCc2nnc(SCC(=O)N3CCOCC3)n2C)ccc2ccccc21 ZINC000032579546 525883355 /nfs/dbraw/zinc/88/33/55/525883355.db2.gz GANNLFSDCBYORG-UHFFFAOYSA-N 0 0 412.515 2.807 50 0 HFAARN CSc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)c1 ZINC000040478032 526115864 /nfs/dbraw/zinc/11/58/64/526115864.db2.gz JXYWTLOJAWSBKG-UHFFFAOYSA-N 0 0 420.498 2.705 50 0 HFAARN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000032883813 526258570 /nfs/dbraw/zinc/25/85/70/526258570.db2.gz ASPAQTAQMIKPLR-UHFFFAOYSA-N 0 0 402.516 2.833 50 0 HFAARN 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C[C@H]1NC(=O)c2ccccc2N(CC(=O)NCCc2c[nH]c3ccc(F)cc23)C1=O ZINC000097531593 557819478 /nfs/dbraw/zinc/81/94/78/557819478.db2.gz LXIYJSGQXXVWDP-CYBMUJFWSA-N 0 0 408.433 2.706 50 0 HFAARN COc1ccc(C(=O)Nc2ccccc2SC)cc1S(=O)(=O)N1CCOCC1 ZINC000009063840 557821587 /nfs/dbraw/zinc/82/15/87/557821587.db2.gz CYAUOBNYRSEURR-UHFFFAOYSA-N 0 0 422.528 2.690 50 0 HFAARN C[C@@H](NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)c1cc2ccccc2o1 ZINC000022812253 557829359 /nfs/dbraw/zinc/82/93/59/557829359.db2.gz KCUPIAXOZZPGRN-QGZVFWFLSA-N 0 0 414.550 2.532 50 0 HFAARN O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009226792 557830604 /nfs/dbraw/zinc/83/06/04/557830604.db2.gz YUUYFLMXXKVKHI-GOSISDBHSA-N 0 0 401.850 2.856 50 0 HFAARN COC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1 ZINC000009321017 557836639 /nfs/dbraw/zinc/83/66/39/557836639.db2.gz LUJVQCLUMMWDTG-UHFFFAOYSA-N 0 0 402.410 2.588 50 0 HFAARN CCC(=O)N1C[C@@H](C(=O)N2CCCCC2)[C@@H](c2cc(OC)c(OC)c(OC)c2)C1 ZINC000097637688 557838352 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O=C(NCCOc1ccccc1F)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011663036 558266625 /nfs/dbraw/zinc/26/66/25/558266625.db2.gz AOUGCPGQLFNKCH-QGZVFWFLSA-N 0 0 402.441 2.941 50 0 HFAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000011701827 558270461 /nfs/dbraw/zinc/27/04/61/558270461.db2.gz NMGQEHYIRWMTBW-HSZRJFAPSA-N 0 0 424.476 2.985 50 0 HFAARN Cc1cc(C)n(CCC(=O)N2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1 ZINC000011754029 558272692 /nfs/dbraw/zinc/27/26/92/558272692.db2.gz RQVJCOPOPXUWCF-UHFFFAOYSA-N 0 0 400.527 2.935 50 0 HFAARN CC[C@H]1CN(CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1 ZINC000011782776 558275104 /nfs/dbraw/zinc/27/51/04/558275104.db2.gz HDUBMSQJVWQBRC-KRWDZBQOSA-N 0 0 400.523 2.955 50 0 HFAARN Cc1nc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)cs1 ZINC000011820304 558283695 /nfs/dbraw/zinc/28/36/95/558283695.db2.gz ZOEXAFFWRNUJKU-SFHVURJKSA-N 0 0 424.592 2.643 50 0 HFAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1OC ZINC000019819383 558289772 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CSCC[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)NCc1cscn1 ZINC000033138912 558888983 /nfs/dbraw/zinc/88/89/83/558888983.db2.gz LGHSWCGOHWTFOW-HNNXBMFYSA-N 0 0 413.952 2.730 50 0 HFAARN Cc1c(-c2ccc(C)cc2)n(-c2ccccc2O)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000004626167 558890478 /nfs/dbraw/zinc/89/04/78/558890478.db2.gz CAJPLQWOKDYEJP-UHFFFAOYSA-N 0 0 415.453 2.665 50 0 HFAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CC3)c2=O)c1 ZINC000033141635 558893325 /nfs/dbraw/zinc/89/33/25/558893325.db2.gz FCKNVSMIMQPKHB-UHFFFAOYSA-N 0 0 418.497 2.863 50 0 HFAARN CCCCn1c2nc(CN(C)c3cccc(Br)c3)n(C)c2c(=O)[nH]c1=O ZINC000058008243 558894671 /nfs/dbraw/zinc/89/46/71/558894671.db2.gz XNSDZNDEJOJRCV-UHFFFAOYSA-N 0 0 420.311 2.622 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000058010478 558895019 /nfs/dbraw/zinc/89/50/19/558895019.db2.gz PGMDJWKIMOFXBO-LLGFUMIMSA-N 0 0 424.545 2.772 50 0 HFAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCCCn1c(=O)[nH]c2ccccc21 ZINC000011159657 558895107 /nfs/dbraw/zinc/89/51/07/558895107.db2.gz PWYMZXLIQLPBMF-UHFFFAOYSA-N 0 0 410.426 2.697 50 0 HFAARN CCc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)s1 ZINC000058014435 558895294 /nfs/dbraw/zinc/89/52/94/558895294.db2.gz KBISXIBKKHGMHO-UHFFFAOYSA-N 0 0 422.510 2.890 50 0 HFAARN Cc1cc(C)n(-c2ccc(CNC(=O)CCCn3nnc(-c4ccccc4)n3)cn2)n1 ZINC000058023090 558896080 /nfs/dbraw/zinc/89/60/80/558896080.db2.gz NYDDQSFHNWDNGV-UHFFFAOYSA-N 0 0 416.489 2.634 50 0 HFAARN CC1=NN(c2ccc(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)cc2)CC1 ZINC000058067027 558897796 /nfs/dbraw/zinc/89/77/96/558897796.db2.gz VJIPGGKFOOUANA-UHFFFAOYSA-N 0 0 405.502 2.836 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)cc1NC(C)=O ZINC000058084262 558898190 /nfs/dbraw/zinc/89/81/90/558898190.db2.gz WJAVZKQIKLJJMC-CQSZACIVSA-N 0 0 405.520 2.629 50 0 HFAARN CC(C)(C)c1ccc(C[S@](=O)CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000058155427 558902908 /nfs/dbraw/zinc/90/29/08/558902908.db2.gz WIIXUXBBHOPICG-GDLZYMKVSA-N 0 0 416.543 2.810 50 0 HFAARN 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O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ncc(-c2ccccc2)o1 ZINC000005366933 560572145 /nfs/dbraw/zinc/57/21/45/560572145.db2.gz XWOJZDORRLVUBK-UHFFFAOYSA-N 0 0 411.439 2.514 50 0 HFAARN O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002627948 560586150 /nfs/dbraw/zinc/58/61/50/560586150.db2.gz CSJODWLGRAJBSA-HNNXBMFYSA-N 0 0 407.348 2.687 50 0 HFAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(C)(C)C)c2)cc1 ZINC000003276612 560591253 /nfs/dbraw/zinc/59/12/53/560591253.db2.gz SMZCGMUJWKFWTR-UHFFFAOYSA-N 0 0 418.515 2.892 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccc(Cl)cc3Cl)c2c1 ZINC000005456870 560591562 /nfs/dbraw/zinc/59/15/62/560591562.db2.gz XAEXPBKLJPJMTR-UHFFFAOYSA-N 0 0 401.275 2.617 50 0 HFAARN Cc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1 ZINC000005483629 560596678 /nfs/dbraw/zinc/59/66/78/560596678.db2.gz RMNLNYPYPMHSRD-UHFFFAOYSA-N 0 0 408.483 2.832 50 0 HFAARN CCCCOCCCNC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C ZINC000005488588 560597648 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/nfs/dbraw/zinc/51/34/40/568513440.db2.gz KXCWRQOBGRAHMR-GOSISDBHSA-N 0 0 421.588 2.889 50 0 HFAARN Cc1ccc(-c2nc3n(n2)c(=O)c2c(n3CC(=O)NC3CCCCC3)CCC2)cc1 ZINC000033324812 568513885 /nfs/dbraw/zinc/51/38/85/568513885.db2.gz YTMRIZDELAWHBM-UHFFFAOYSA-N 0 0 405.502 2.804 50 0 HFAARN O=C(Cn1c2ccccc2n(CC(=O)NC2CCCCC2)c1=O)NC1CCCCC1 ZINC000000838337 568515645 /nfs/dbraw/zinc/51/56/45/568515645.db2.gz ZHYAEEHFAZHCLM-UHFFFAOYSA-N 0 0 412.534 2.701 50 0 HFAARN CSCC[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000223229386 568541736 /nfs/dbraw/zinc/54/17/36/568541736.db2.gz KNLDJIPSNLQCFP-MRXNPFEDSA-N 0 0 411.466 2.902 50 0 HFAARN CCOc1cccc2s/c(=N/C(=O)CN3C(=O)c4ccccc4C3=O)n(CC)c21 ZINC000012378120 568552646 /nfs/dbraw/zinc/55/26/46/568552646.db2.gz OCAIEQOFMGEFBV-QURGRASLSA-N 0 0 409.467 2.845 50 0 HFAARN Cc1cccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCOCC2)C3=O)c1 ZINC000020038484 568586701 /nfs/dbraw/zinc/58/67/01/568586701.db2.gz SAWRWGJVIWTESC-QFIPXVFZSA-N 0 0 409.511 2.564 50 0 HFAARN COc1cccc(N2CCN(C(=O)CCCN3C(=S)NC(C)(C)C[C@H]3C)CC2)c1 ZINC000020107489 568588259 /nfs/dbraw/zinc/58/82/59/568588259.db2.gz NVUSNASHOVPALA-QGZVFWFLSA-N 0 0 418.607 2.871 50 0 HFAARN CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCN(CCO)CC1)CCCC2 ZINC000020192219 568593455 /nfs/dbraw/zinc/59/34/55/568593455.db2.gz YDEHBKJUAOJLBQ-OAQYLSRUSA-N 0 0 414.575 2.680 50 0 HFAARN CCCCCCn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020235395 568595390 /nfs/dbraw/zinc/59/53/90/568595390.db2.gz YQXGWCNGOXQWAK-UHFFFAOYSA-N 0 0 409.534 2.572 50 0 HFAARN COc1ccc(-c2nc(CSCC(=O)N3CCN(C)CC3)c(C)o2)cc1OC ZINC000020241072 568595870 /nfs/dbraw/zinc/59/58/70/568595870.db2.gz PFTIQZZFQFLETD-UHFFFAOYSA-N 0 0 405.520 2.674 50 0 HFAARN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc1F ZINC000020281325 568596673 /nfs/dbraw/zinc/59/66/73/568596673.db2.gz DDZOIUYNAYJOEH-HNNXBMFYSA-N 0 0 420.491 2.931 50 0 HFAARN COc1ccc(CN(C(=O)Nc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000095347450 568599940 /nfs/dbraw/zinc/59/99/40/568599940.db2.gz XKTSETJFEYAOCP-KRWDZBQOSA-N 0 0 404.488 2.925 50 0 HFAARN COCCOC(=O)Nc1cccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)c1 ZINC000095373491 568603159 /nfs/dbraw/zinc/60/31/59/568603159.db2.gz GNIWMMZPFAVGFA-UHFFFAOYSA-N 0 0 414.462 2.941 50 0 HFAARN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(SC(F)F)c1)c1nnc2n1CCC2 ZINC000095393998 568604433 /nfs/dbraw/zinc/60/44/33/568604433.db2.gz LKBZMHWDHDZJIL-AWEZNQCLSA-N 0 0 409.462 2.991 50 0 HFAARN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cc(-c3ccco3)nc3ccccc32)C1=O ZINC000095406598 568606293 /nfs/dbraw/zinc/60/62/93/568606293.db2.gz ARFGTOKMVAOZQV-QKFKETGDSA-N 0 0 418.453 2.945 50 0 HFAARN O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020466576 568610354 /nfs/dbraw/zinc/61/03/54/568610354.db2.gz LLVFYOYSYZARHJ-KRWDZBQOSA-N 0 0 413.547 2.630 50 0 HFAARN Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N(C)Cc2ccsc2)c1 ZINC000095446354 568612085 /nfs/dbraw/zinc/61/20/85/568612085.db2.gz SKPVYOHXZUDNHN-UHFFFAOYSA-N 0 0 405.505 2.554 50 0 HFAARN O=C(c1ccc(=O)[nH]c1)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000095452436 568615081 /nfs/dbraw/zinc/61/50/81/568615081.db2.gz SVVYMDXDTOBHIA-UHFFFAOYSA-N 0 0 411.465 2.948 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSc3cn[nH]n3)cc2)cc1 ZINC000095471372 568626678 /nfs/dbraw/zinc/62/66/78/568626678.db2.gz LFHPINMMQNKVPM-UHFFFAOYSA-N 0 0 403.489 2.645 50 0 HFAARN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000095471643 568627028 /nfs/dbraw/zinc/62/70/28/568627028.db2.gz HAFFANPZGKDVBE-UHFFFAOYSA-N 0 0 408.451 2.782 50 0 HFAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000020532985 568629348 /nfs/dbraw/zinc/62/93/48/568629348.db2.gz CAPLWFVNMAHRCL-QGZVFWFLSA-N 0 0 413.971 2.789 50 0 HFAARN Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)N(C)Cc4ccccc4)n3n2)n1 ZINC000095475106 568629759 /nfs/dbraw/zinc/62/97/59/568629759.db2.gz TUVMOHYFWHBGQM-UHFFFAOYSA-N 0 0 403.490 2.908 50 0 HFAARN Cn1cnc2ccc(NC(=O)CCCCCn3cnc4ccccc4c3=O)cc2c1=O ZINC000095477029 568630739 /nfs/dbraw/zinc/63/07/39/568630739.db2.gz XPFJTFSDZBKGJT-UHFFFAOYSA-N 0 0 417.469 2.843 50 0 HFAARN COC(=O)CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CC1 ZINC000095478559 568631714 /nfs/dbraw/zinc/63/17/14/568631714.db2.gz HJJBUJVLNGJWCI-LJQANCHMSA-N 0 0 411.502 2.822 50 0 HFAARN COc1ccc(CCc2nnc(NC(=O)c3nn(C)c4ccccc43)[nH]2)cc1OC ZINC000095480127 568633065 /nfs/dbraw/zinc/63/30/65/568633065.db2.gz OWDPPVJRHRZEPH-UHFFFAOYSA-N 0 0 406.446 2.746 50 0 HFAARN CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000020643736 568638830 /nfs/dbraw/zinc/63/88/30/568638830.db2.gz FCFWOMPEWUKHIJ-UHFFFAOYSA-N 0 0 414.531 2.788 50 0 HFAARN CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2[n-]c1=S ZINC000020645308 568639078 /nfs/dbraw/zinc/63/90/78/568639078.db2.gz SYOYYOAAPWYTNK-OAHLLOKOSA-N 0 0 402.564 2.899 50 0 HFAARN COc1ccc(C(=O)N2CCC[C@H](N(CC(=O)OC(C)(C)C)C(C)=O)CC2)cc1 ZINC000225468877 568640763 /nfs/dbraw/zinc/64/07/63/568640763.db2.gz GMBJEBQTWRKLKB-SFHVURJKSA-N 0 0 404.507 2.880 50 0 HFAARN CNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000095726678 568644554 /nfs/dbraw/zinc/64/45/54/568644554.db2.gz UWIWNJFBNIMMGY-FDBOBMRISA-N 0 0 401.547 2.757 50 0 in-vitro HFAARN COCCNC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020848794 568644756 /nfs/dbraw/zinc/64/47/56/568644756.db2.gz LTRUZDZWWWCVHW-IBGZPJMESA-N 0 0 422.934 2.781 50 0 HFAARN C=C1C(NCC(=O)NCc2ccccc2F)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020864424 568646502 /nfs/dbraw/zinc/64/65/02/568646502.db2.gz MIDCKVDUGZFPFT-UHFFFAOYSA-N 0 0 415.490 2.821 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3ccccc3Cl)sc2n1 ZINC000020866077 568646753 /nfs/dbraw/zinc/64/67/53/568646753.db2.gz LJZIKOWEUBMULL-UHFFFAOYSA-N 0 0 419.938 2.552 50 0 HFAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1 ZINC000020895747 568648828 /nfs/dbraw/zinc/64/88/28/568648828.db2.gz RWWRKUCCPOIUQE-GOSISDBHSA-N 0 0 413.455 2.915 50 0 HFAARN COc1ccc(NS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)cc1OC ZINC000020923380 568651069 /nfs/dbraw/zinc/65/10/69/568651069.db2.gz HLTOJFYFGILHHA-LLVKDONJSA-N 0 0 420.512 2.888 50 0 HFAARN C[C@@H](CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000020930779 568651917 /nfs/dbraw/zinc/65/19/17/568651917.db2.gz DVNDZQWLHXGROY-RDBSUJKOSA-N 0 0 410.561 2.930 50 0 HFAARN CCc1nn2c(nc(CSc3nnc(NC(=O)c4ccco4)s3)cc2=O)s1 ZINC000020983635 568654731 /nfs/dbraw/zinc/65/47/31/568654731.db2.gz LVJONQABKKGCBO-UHFFFAOYSA-N 0 0 420.501 2.703 50 0 HFAARN CCCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(CC)sc3n2)s1 ZINC000020983657 568654883 /nfs/dbraw/zinc/65/48/83/568654883.db2.gz UEEMDXFUDCKSFO-UHFFFAOYSA-N 0 0 410.550 2.986 50 0 HFAARN CCOC(=O)c1cn(CC(=O)Nc2ccccc2OCC)c2nc(C)ccc2c1=O ZINC000020986424 568654973 /nfs/dbraw/zinc/65/49/73/568654973.db2.gz IDCZQMSHVKQUKK-UHFFFAOYSA-N 0 0 409.442 2.919 50 0 HFAARN Cc1csc2nc(CSc3nc(-c4ccccc4)nc4cc(=O)[nH]n43)cc(=O)n12 ZINC000020986954 568655219 /nfs/dbraw/zinc/65/52/19/568655219.db2.gz XZHMMESSQAHTBL-UHFFFAOYSA-N 0 0 422.495 2.755 50 0 HFAARN CSc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)c1 ZINC000020994608 568656538 /nfs/dbraw/zinc/65/65/38/568656538.db2.gz GGGSIZFKBVOJQL-UHFFFAOYSA-N 0 0 408.549 2.664 50 0 HFAARN C[C@@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2ccccc2)S1(=O)=O ZINC000020996686 568657166 /nfs/dbraw/zinc/65/71/66/568657166.db2.gz OJYQOLRYHBZTJI-IBGZPJMESA-N 0 0 415.559 2.577 50 0 HFAARN COc1ccc(Nc2nc(N(C)CC[C@H](C)O)cc(N(C)CC[C@H](C)O)n2)cc1 ZINC000225651539 568660355 /nfs/dbraw/zinc/66/03/55/568660355.db2.gz AHNCQXXSSCFXKW-HOTGVXAUSA-N 0 0 403.527 2.643 50 0 HFAARN CCNS(=O)(=O)c1ccc(CC(=O)OCCCn2c(C)nc3ccccc32)cc1 ZINC000095942857 568662670 /nfs/dbraw/zinc/66/26/70/568662670.db2.gz WCBDXZYTOWPMQY-UHFFFAOYSA-N 0 0 415.515 2.819 50 0 HFAARN Cn1cccc1[C@H]1COCCN1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000095943796 568662816 /nfs/dbraw/zinc/66/28/16/568662816.db2.gz DQJKEXVNVPMSLC-OAHLLOKOSA-N 0 0 405.499 2.741 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccccc2)cc1Cl ZINC000021089916 568664088 /nfs/dbraw/zinc/66/40/88/568664088.db2.gz SSCCFGCNKYAWIV-HNNXBMFYSA-N 0 0 408.863 2.667 50 0 HFAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000095946907 568664711 /nfs/dbraw/zinc/66/47/11/568664711.db2.gz VZNDQIRDQSINJJ-OALUTQOASA-N 0 0 417.937 2.550 50 0 HFAARN Cc1[nH]c2ccc(C(=O)OCCS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2c1C ZINC000225691111 568664860 /nfs/dbraw/zinc/66/48/60/568664860.db2.gz ICTVQOGSZRUQEK-UHFFFAOYSA-N 0 0 414.439 2.850 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000095956101 568669363 /nfs/dbraw/zinc/66/93/63/568669363.db2.gz YILHCFOAVUTQGT-SFHVURJKSA-N 0 0 414.575 2.798 50 0 HFAARN O=C(NCc1noc(-c2ccccc2F)n1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000225735395 568669400 /nfs/dbraw/zinc/66/94/00/568669400.db2.gz VAWHUVLFGUWDNI-UHFFFAOYSA-N 0 0 415.812 2.989 50 0 HFAARN COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000021130062 568670129 /nfs/dbraw/zinc/67/01/29/568670129.db2.gz LSOGODBINPQXBG-UHFFFAOYSA-N 0 0 401.850 2.844 50 0 HFAARN Cc1cc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)ccc1Br ZINC000021147382 568671104 /nfs/dbraw/zinc/67/11/04/568671104.db2.gz WOCDFYJWTQJQQI-UHFFFAOYSA-N 0 0 412.247 2.754 50 0 HFAARN Cc1ccc(CNC(=O)CCCn2cnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000021155307 568673365 /nfs/dbraw/zinc/67/33/65/568673365.db2.gz WHWYBSLRHQVYDU-UHFFFAOYSA-N 0 0 414.531 2.692 50 0 HFAARN COc1cccc(NC(=O)CCN(C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000095983639 568675887 /nfs/dbraw/zinc/67/58/87/568675887.db2.gz HCWXICFVDHSFIL-GOSISDBHSA-N 0 0 420.307 2.945 50 0 HFAARN COCCCN(C(=O)Nc1ccc(C)c(OCC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000095983857 568675939 /nfs/dbraw/zinc/67/59/39/568675939.db2.gz WPMVWGJXGRBYDS-HNNXBMFYSA-N 0 0 420.478 2.696 50 0 HFAARN O=C1C[C@@H](c2nc3ccccc3n2CCN2CCOCC2)CN1Cc1cccs1 ZINC000021172123 568676348 /nfs/dbraw/zinc/67/63/48/568676348.db2.gz IXBLRNVSZGOEIJ-QGZVFWFLSA-N 0 0 410.543 2.946 50 0 HFAARN COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000095994179 568678509 /nfs/dbraw/zinc/67/85/09/568678509.db2.gz YNPHIOBPBYMBDC-JKSUJKDBSA-N 0 0 406.479 2.974 50 0 HFAARN CCOC(=O)c1oc(N(C)S(=O)(=O)c2c(F)cccc2Br)nc1C ZINC000095995753 568678782 /nfs/dbraw/zinc/67/87/82/568678782.db2.gz XGCLGOXXAUQKBU-UHFFFAOYSA-N 0 0 421.244 2.886 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000095998759 568680228 /nfs/dbraw/zinc/68/02/28/568680228.db2.gz IZJMANSHZMQTME-BWVQPMQLSA-N 0 0 400.523 2.773 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ncnc3cc(F)c(F)cc32)C1 ZINC000095999581 568680434 /nfs/dbraw/zinc/68/04/34/568680434.db2.gz AZRHWUDIIYJHMH-NSHDSACASA-N 0 0 402.405 2.600 50 0 HFAARN C[C@H](OC(=O)c1ccc(CSc2nccn2C)o1)C(=O)NCCc1ccncc1 ZINC000225857887 568681255 /nfs/dbraw/zinc/68/12/55/568681255.db2.gz SUVAFYHYPSJUJD-AWEZNQCLSA-N 0 0 414.487 2.605 50 0 HFAARN Cc1cc(C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c(Cl)cc1F ZINC000096001782 568681425 /nfs/dbraw/zinc/68/14/25/568681425.db2.gz DVHYIXYCHQCRRI-HNNXBMFYSA-N 0 0 405.817 2.785 50 0 HFAARN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cc(Cl)cc(Cl)c3)no2)cn1 ZINC000096001749 568681437 /nfs/dbraw/zinc/68/14/37/568681437.db2.gz KEDNKXXLHSTQDM-AWEZNQCLSA-N 0 0 408.245 2.991 50 0 HFAARN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000021209102 568683549 /nfs/dbraw/zinc/68/35/49/568683549.db2.gz IOKPWHYHYBQFDS-UHFFFAOYSA-N 0 0 403.402 2.829 50 0 HFAARN Cc1ccoc1C(=O)NCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccccc1 ZINC000096012421 568684907 /nfs/dbraw/zinc/68/49/07/568684907.db2.gz HCGXPEWPZSIKQK-QHCPKHFHSA-N 0 0 411.502 2.909 50 0 HFAARN CC(=O)c1cccc(NC(=O)N2C[C@H]3C[C@@H]2[C@@H](NS(=O)(=O)c2ccccc2)C3)c1 ZINC000096095722 568688671 /nfs/dbraw/zinc/68/86/71/568688671.db2.gz GJLLJODDYIWHGS-UIAACRFSSA-N 0 0 413.499 2.862 50 0 HFAARN Cn1cc([C@H](O)CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000096096548 568689154 /nfs/dbraw/zinc/68/91/54/568689154.db2.gz YUMDFVNMVMEMDU-QGZVFWFLSA-N 0 0 421.375 2.865 50 0 HFAARN O=C(NCCc1cccs1)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000021365486 568690532 /nfs/dbraw/zinc/69/05/32/568690532.db2.gz HQSTXEWFFBKSDA-UHFFFAOYSA-N 0 0 417.556 2.978 50 0 HFAARN COc1ccccc1N1C[C@H](C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012389367 568691290 /nfs/dbraw/zinc/69/12/90/568691290.db2.gz YBEMHBACKORIBZ-CYBMUJFWSA-N 0 0 400.431 2.713 50 0 HFAARN COc1ccc(C(=O)NC2CCN(c3nnc4ccc(Cl)cn43)CC2)cc1F ZINC000096102234 568691429 /nfs/dbraw/zinc/69/14/29/568691429.db2.gz PLGQCDOXKWKGHN-UHFFFAOYSA-N 0 0 403.845 2.929 50 0 HFAARN Cc1ccc(CC(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn43)CC2)cc1 ZINC000096102191 568691491 /nfs/dbraw/zinc/69/14/91/568691491.db2.gz LUZQEDZGOXCSIE-UHFFFAOYSA-N 0 0 403.408 2.948 50 0 HFAARN O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103479 568691644 /nfs/dbraw/zinc/69/16/44/568691644.db2.gz OERTYKQJFMQDHW-QGZVFWFLSA-N 0 0 416.890 2.609 50 0 HFAARN COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OC(C)C)c(OC)c2)o1 ZINC000096114405 568694009 /nfs/dbraw/zinc/69/40/09/568694009.db2.gz BGTPULUEZUEZCD-OAHLLOKOSA-N 0 0 406.431 2.983 50 0 biogenic HFAARN CCOC(=O)c1ccc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 ZINC000096115903 568695616 /nfs/dbraw/zinc/69/56/16/568695616.db2.gz VNOJJYVTORGUJQ-UHFFFAOYSA-N 0 0 424.453 2.875 50 0 biogenic HFAARN COc1ccccc1N1CCN(C(=O)Cn2ccc3c2cccc3NC(C)=O)CC1 ZINC000096116581 568696025 /nfs/dbraw/zinc/69/60/25/568696025.db2.gz LDYMBPHPRQNPOM-UHFFFAOYSA-N 0 0 406.486 2.957 50 0 HFAARN COc1cccc(-c2noc(C3CN(S(=O)(=O)c4ccc(OC)c(F)c4)C3)n2)c1 ZINC000227155191 568699519 /nfs/dbraw/zinc/69/95/19/568699519.db2.gz LARDEMAHFLVDDP-UHFFFAOYSA-N 0 0 419.434 2.681 50 0 HFAARN Cc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000096120797 568699589 /nfs/dbraw/zinc/69/95/89/568699589.db2.gz PJJYJKFDBYPBPA-UHFFFAOYSA-N 0 0 416.425 2.762 50 0 HFAARN Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c(Cl)cc1Cl ZINC000096122138 568699935 /nfs/dbraw/zinc/69/99/35/568699935.db2.gz HEXLFIHDUQQIAI-UHFFFAOYSA-N 0 0 424.327 2.883 50 0 HFAARN COCCCNC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc(OC)cc1OC ZINC000096211849 568704875 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Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1C ZINC000003556927 568915370 /nfs/dbraw/zinc/91/53/70/568915370.db2.gz DIHUMZAESVZSNF-UHFFFAOYSA-N 0 0 400.544 2.996 50 0 HFAARN Cc1cccc(N2CCC(NC(=O)c3nccnc3C(=O)N3CCCCC3)CC2)c1 ZINC000670447854 568918105 /nfs/dbraw/zinc/91/81/05/568918105.db2.gz JBVMGOZQRYTTAR-UHFFFAOYSA-N 0 0 407.518 2.810 50 0 HFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O ZINC000003593353 568918342 /nfs/dbraw/zinc/91/83/42/568918342.db2.gz QTBSHVONCNSSIB-IBGZPJMESA-N 0 0 422.323 2.913 50 0 HFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000003609985 568919720 /nfs/dbraw/zinc/91/97/20/568919720.db2.gz QAYIDUGZHOQAFI-UHFFFAOYSA-N 0 0 409.467 2.863 50 0 HFAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000003610618 568919991 /nfs/dbraw/zinc/91/99/91/568919991.db2.gz AQYKGGXIPKLHNF-QHCPKHFHSA-N 0 0 417.421 2.974 50 0 HFAARN CN(CC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000083857476 568920853 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COc1ccc(C(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c2ccc(OC)cc2)cc1 ZINC000031418415 568925954 /nfs/dbraw/zinc/92/59/54/568925954.db2.gz QDYMKTJQIAICJZ-UHFFFAOYSA-N 0 0 407.470 2.852 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000001399404 568926034 /nfs/dbraw/zinc/92/60/34/568926034.db2.gz VQOUAXXNJYZWAX-UHFFFAOYSA-N 0 0 422.938 2.944 50 0 HFAARN COc1ccc(C(=O)C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)cc1 ZINC000012739582 568926847 /nfs/dbraw/zinc/92/68/47/568926847.db2.gz QQHWCKUOGPUNPX-UHFFFAOYSA-N 0 0 405.454 2.596 50 0 HFAARN CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 ZINC000012739981 568926858 /nfs/dbraw/zinc/92/68/58/568926858.db2.gz MXUVGAINBDMBBV-MRXNPFEDSA-N 0 0 403.548 2.866 50 0 HFAARN CC[C@H](Sc1nnc(COc2cc(C)cc(C)c2)n1N)C(=O)Nc1cc(C)on1 ZINC000031625858 568928719 /nfs/dbraw/zinc/92/87/19/568928719.db2.gz RYSZWUHDCZQOGP-HNNXBMFYSA-N 0 0 416.507 2.994 50 0 HFAARN Cc1cnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)s1 ZINC000012740466 568928882 /nfs/dbraw/zinc/92/88/82/568928882.db2.gz BHWDKMAGMXPJEB-LBPRGKRZSA-N 0 0 415.924 2.815 50 0 HFAARN COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1O ZINC000083967293 568928887 /nfs/dbraw/zinc/92/88/87/568928887.db2.gz GTZGPWVDMCNQEU-TZMCWYRMSA-N 0 0 411.857 2.928 50 0 HFAARN CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000012741623 568929729 /nfs/dbraw/zinc/92/97/29/568929729.db2.gz WAWDFXXMOXHYDF-OAHLLOKOSA-N 0 0 400.504 2.853 50 0 HFAARN CC(C)(C)c1cn2nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)sc2n1 ZINC000012741980 568929766 /nfs/dbraw/zinc/92/97/66/568929766.db2.gz MVFNCHVZABSKJN-UHFFFAOYSA-N 0 0 419.576 2.740 50 0 HFAARN COc1ccc(OC)c(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 ZINC000031754628 568930535 /nfs/dbraw/zinc/93/05/35/568930535.db2.gz BACZCVHHMTWWFN-UHFFFAOYSA-N 0 0 422.528 2.858 50 0 HFAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000031779458 568931096 /nfs/dbraw/zinc/93/10/96/568931096.db2.gz CZNAXLUZDNFKGO-UHFFFAOYSA-N 0 0 415.453 2.819 50 0 HFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2ccccc2)CC1 ZINC000031808102 568931696 /nfs/dbraw/zinc/93/16/96/568931696.db2.gz AOESKLUPLRWUTH-FQEVSTJZSA-N 0 0 406.486 2.511 50 0 HFAARN COCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)s1 ZINC000031810081 568932390 /nfs/dbraw/zinc/93/23/90/568932390.db2.gz WRFDSDXTVPVTIJ-UHFFFAOYSA-N 0 0 422.466 2.776 50 0 HFAARN C[C@H](C(=O)NCc1ccc(-c2ccc(Br)cc2)o1)N1C(=O)CCC1=O ZINC000084001151 568932758 /nfs/dbraw/zinc/93/27/58/568932758.db2.gz AYXJQMSCTCSKFY-LLVKDONJSA-N 0 0 405.248 2.863 50 0 HFAARN CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000058910246 568932833 /nfs/dbraw/zinc/93/28/33/568932833.db2.gz MMXUZCJXYQWOPT-CYBMUJFWSA-N 0 0 400.397 2.858 50 0 HFAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 ZINC000031819696 568933067 /nfs/dbraw/zinc/93/30/67/568933067.db2.gz YGDVPBHJFOGWCT-AWEZNQCLSA-N 0 0 405.483 2.917 50 0 HFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000004044809 568936265 /nfs/dbraw/zinc/93/62/65/568936265.db2.gz KRBZCOAHGUAKFI-XOBRGWDASA-N 0 0 414.389 2.642 50 0 biogenic HFAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000084083789 568936560 /nfs/dbraw/zinc/93/65/60/568936560.db2.gz WLYLRCCUSFOZNJ-OAQYLSRUSA-N 0 0 415.559 2.951 50 0 HFAARN COc1ccc(CNC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1 ZINC000004073914 568938106 /nfs/dbraw/zinc/93/81/06/568938106.db2.gz SZDDDVAILFBKIK-BTYIYWSLSA-N 0 0 414.483 2.599 50 0 biogenic HFAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000015498682 568940269 /nfs/dbraw/zinc/94/02/69/568940269.db2.gz GDCVAFMLSDMKGG-MRXNPFEDSA-N 0 0 405.907 2.929 50 0 HFAARN CCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(NC(=O)[C@@H](C)O)c1 ZINC000001428464 568939582 /nfs/dbraw/zinc/93/95/82/568939582.db2.gz JKOISIFDPZQGKE-GFCCVEGCSA-N 0 0 418.446 2.683 50 0 HFAARN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000084148825 568941080 /nfs/dbraw/zinc/94/10/80/568941080.db2.gz 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2.663 50 0 HFAARN CC(C)C[C@@H](NC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000084509900 568949841 /nfs/dbraw/zinc/94/98/41/568949841.db2.gz VDUKNPDQENWATR-MRXNPFEDSA-N 0 0 402.499 2.601 50 0 HFAARN O=C(CCCN1C(=O)CNC1=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000012770086 568950598 /nfs/dbraw/zinc/95/05/98/568950598.db2.gz FQVFJAKHEUNXKH-JOCHJYFZSA-N 0 0 419.437 2.967 50 0 HFAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)N1CCCC1)CC2 ZINC000012773561 568953282 /nfs/dbraw/zinc/95/32/82/568953282.db2.gz QZVHGXMUSYZCBX-NRFANRHFSA-N 0 0 402.516 2.992 50 0 HFAARN CC[C@@H](C)N(C(=O)CSc1nc(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000004240863 568953296 /nfs/dbraw/zinc/95/32/96/568953296.db2.gz PUBZTEOPXPSATL-HIFRSBDPSA-N 0 0 407.561 2.845 50 0 HFAARN O=C(CN1CCN(C(=O)CSc2ncccc2Cl)CC1)Nc1cccc(F)c1 ZINC000012774103 568953463 /nfs/dbraw/zinc/95/34/63/568953463.db2.gz LCKCPWRNWQEZLQ-UHFFFAOYSA-N 0 0 422.913 2.749 50 0 HFAARN CCOc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 ZINC000004250639 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COCCCNC(=O)N1CCc2c(sc3nc(-c4ccc(OC)cc4)nn32)C1 ZINC000085651391 569005728 /nfs/dbraw/zinc/00/57/28/569005728.db2.gz MCPKLCOULDUPGR-UHFFFAOYSA-N 0 0 401.492 2.571 50 0 HFAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)ccc1=O ZINC000085651969 569005840 /nfs/dbraw/zinc/00/58/40/569005840.db2.gz LSYRPWBTRKEWNV-UHFFFAOYSA-N 0 0 416.503 2.890 50 0 HFAARN CCOc1ccc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 ZINC000012822109 569006099 /nfs/dbraw/zinc/00/60/99/569006099.db2.gz OTONUOYZEZXDKH-QGZVFWFLSA-N 0 0 424.432 2.560 50 0 HFAARN COc1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCN(c3ccccc3)CC1)CO2 ZINC000015786272 569007357 /nfs/dbraw/zinc/00/73/57/569007357.db2.gz URLUEHPKQGIUSO-HXUWFJFHSA-N 0 0 409.530 2.575 50 0 HFAARN COc1cccc(CN2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)c1 ZINC000104414992 569008755 /nfs/dbraw/zinc/00/87/55/569008755.db2.gz BTEPSUPNWBXNCC-OAQYLSRUSA-N 0 0 406.530 2.950 50 0 HFAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)c(OC)c1 ZINC000085875290 569009491 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569019813 /nfs/dbraw/zinc/01/98/13/569019813.db2.gz CXDDZPAGICYSJD-GOSISDBHSA-N 0 0 415.559 2.724 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1 ZINC000012912274 569021914 /nfs/dbraw/zinc/02/19/14/569021914.db2.gz NUNZCUQKUNTKNV-QHCPKHFHSA-N 0 0 420.469 2.971 50 0 biogenic HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000012913142 569022287 /nfs/dbraw/zinc/02/22/87/569022287.db2.gz HKQFWURGKFDTBW-UHFFFAOYSA-N 0 0 416.503 2.761 50 0 HFAARN Cc1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012917004 569022445 /nfs/dbraw/zinc/02/24/45/569022445.db2.gz PQYPZRPYUALYNF-FQEVSTJZSA-N 0 0 408.546 2.598 50 0 HFAARN COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000012919378 569022880 /nfs/dbraw/zinc/02/28/80/569022880.db2.gz KNIZVNONNDGTJI-UHFFFAOYSA-N 0 0 416.499 2.537 50 0 HFAARN COC(=O)c1cccc2c1CCCN2C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012920381 569022990 /nfs/dbraw/zinc/02/29/90/569022990.db2.gz BWSOJCHEIAHGSB-SFHVURJKSA-N 0 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JGPDYNRWPGYQTN-SECBINFHSA-N 0 0 402.505 2.670 50 0 HFAARN COc1ccc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000012892385 569404588 /nfs/dbraw/zinc/40/45/88/569404588.db2.gz ZZWNXGBVDVATGI-UHFFFAOYSA-N 0 0 413.474 2.809 50 0 biogenic HFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1)CC2 ZINC000012892935 569404667 /nfs/dbraw/zinc/40/46/67/569404667.db2.gz DLZKUOLVRQUQGA-FQEVSTJZSA-N 0 0 423.513 2.661 50 0 biogenic HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc3c(c2)CCCN3C)c(C)c1 ZINC000013008741 569407046 /nfs/dbraw/zinc/40/70/46/569407046.db2.gz GAQGHTMSOHIHSV-UHFFFAOYSA-N 0 0 401.532 2.857 50 0 HFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1ccc(OC)cc1 ZINC000013010222 569407208 /nfs/dbraw/zinc/40/72/08/569407208.db2.gz SHXWPOLHFMDHQP-UHFFFAOYSA-N 0 0 407.426 2.979 50 0 HFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000013075457 569408703 /nfs/dbraw/zinc/40/87/03/569408703.db2.gz GTAJVMGUACJLBP-NQIIRXRSSA-N 0 0 421.607 2.811 50 0 HFAARN C[C@H](OC(=O)c1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013102087 569409210 /nfs/dbraw/zinc/40/92/10/569409210.db2.gz CCKYLPLVLHVOPW-JTQLQIEISA-N 0 0 422.231 2.745 50 0 HFAARN O=C(NCc1csc(-c2cccs2)n1)[C@H]1CSCN1C(=O)[C@H]1CCCO1 ZINC000013354941 569411300 /nfs/dbraw/zinc/41/13/00/569411300.db2.gz ZLYYODBNHYVVPZ-CHWSQXEVSA-N 0 0 409.558 2.568 50 0 HFAARN O=C(/C=C/c1cccnc1)NCC(=O)N=c1sccn1Cc1ccccc1Cl ZINC000254393021 569414306 /nfs/dbraw/zinc/41/43/06/569414306.db2.gz PCJXLPWDNHBOLA-OLFGPEICSA-N 0 0 412.902 2.903 50 0 HFAARN NC(=O)c1ccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000019287335 569414677 /nfs/dbraw/zinc/41/46/77/569414677.db2.gz ARAZHZSLESVWPY-UHFFFAOYSA-N 0 0 402.204 2.955 50 0 HFAARN COCC[C@H]1COCCN1C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000328594222 569415811 /nfs/dbraw/zinc/41/58/11/569415811.db2.gz ZQCJBHZTQABWSU-CABCVRRESA-N 0 0 401.429 2.581 50 0 HFAARN CCCN1c2ccc(Br)cc2C2(C1=O)N1CC3(C)CN2CC(C)(C1)C3=O ZINC000019323077 569418741 /nfs/dbraw/zinc/41/87/41/569418741.db2.gz WWNFWDQSPIPNRW-UHFFFAOYSA-N 0 0 418.335 2.585 50 0 biogenic HFAARN CCN1c2ccc(Br)cc2C2(C1=O)N1CC3(C)CN2CC(CC)(C1)C3=O ZINC000019323603 569418763 /nfs/dbraw/zinc/41/87/63/569418763.db2.gz YVPGACXPJCLPQE-UHFFFAOYSA-N 0 0 418.335 2.585 50 0 biogenic HFAARN O=C([C@@H]1CCCO1)N1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000078724194 569419936 /nfs/dbraw/zinc/41/99/36/569419936.db2.gz NRCGCPQKJVKUGA-KRWDZBQOSA-N 0 0 404.308 2.821 50 0 HFAARN C[C@@H](CNC(=O)C(C)(C)NC(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000078902907 569421598 /nfs/dbraw/zinc/42/15/98/569421598.db2.gz PQWGRFNISKFRDS-IBGZPJMESA-N 0 0 423.561 2.914 50 0 HFAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000079022709 569424476 /nfs/dbraw/zinc/42/44/76/569424476.db2.gz JFFGTUNBJPUMBW-UHFFFAOYSA-N 0 0 422.514 2.766 50 0 HFAARN O=C(CN1CCSc2ccc(C(F)(F)F)cc21)N1CCN(C(=O)C2CC2)CC1 ZINC000079103655 569427615 /nfs/dbraw/zinc/42/76/15/569427615.db2.gz KFZNXEUVAUYUHX-UHFFFAOYSA-N 0 0 413.465 2.698 50 0 HFAARN COCCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000079109462 569428025 /nfs/dbraw/zinc/42/80/25/569428025.db2.gz JSDVKNAADMYEKW-MRXNPFEDSA-N 0 0 418.925 2.909 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)c1C ZINC000079111900 569428264 /nfs/dbraw/zinc/42/82/64/569428264.db2.gz VTLSJJYOKMJFLL-MRXNPFEDSA-N 0 0 423.535 2.907 50 0 HFAARN COCCn1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000079478304 569431592 /nfs/dbraw/zinc/43/15/92/569431592.db2.gz PYJOECPCLDKHIB-UHFFFAOYSA-N 0 0 404.470 2.887 50 0 HFAARN Cc1nc2ccc(O)cc2c(=O)n1CC(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000079479716 569431750 /nfs/dbraw/zinc/43/17/50/569431750.db2.gz HOHOFJAIHJBWQH-UHFFFAOYSA-N 0 0 420.494 2.893 50 0 HFAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CCCN(c2ncccn2)C1 ZINC000079488772 569432377 /nfs/dbraw/zinc/43/23/77/569432377.db2.gz FFGRNHOJLHGDMP-CQSZACIVSA-N 0 0 418.423 2.878 50 0 HFAARN O=C(Nc1n[nH]c2cc(Br)ccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000079488061 569432408 /nfs/dbraw/zinc/43/24/08/569432408.db2.gz NSLGXQKRJKYOME-SNVBAGLBSA-N 0 0 403.236 2.906 50 0 HFAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1OC ZINC000079495055 569432712 /nfs/dbraw/zinc/43/27/12/569432712.db2.gz RVCPGYXBRSWSIH-OAHLLOKOSA-N 0 0 404.898 2.723 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)c(OC)c1 ZINC000021576495 571041346 /nfs/dbraw/zinc/04/13/46/571041346.db2.gz YUMOOELSMXZVNM-UHFFFAOYSA-N 0 0 417.466 2.854 50 0 HFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C ZINC000010220062 571047426 /nfs/dbraw/zinc/04/74/26/571047426.db2.gz NLDIGKISHOBTCC-CYBMUJFWSA-N 0 0 408.487 2.733 50 0 HFAARN COc1ccc(-c2cc3nn(CC(=O)NC4CCC(C)CC4)c(=O)n3c(C)n2)cc1 ZINC000067239718 571051859 /nfs/dbraw/zinc/05/18/59/571051859.db2.gz IFZAHXZWUOLNAH-UHFFFAOYSA-N 0 0 409.490 2.570 50 0 HFAARN CCOC(=O)c1nnn([C@H](CC)C(=O)Nc2ccc(CC)cc2)c1C(=O)OCC ZINC000067240402 571052080 /nfs/dbraw/zinc/05/20/80/571052080.db2.gz AEWYGSPFTXNQCQ-OAHLLOKOSA-N 0 0 402.451 2.784 50 0 HFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccccc1Cl ZINC000067245833 571054342 /nfs/dbraw/zinc/05/43/42/571054342.db2.gz SHYLQLCRKAVQHJ-UHFFFAOYSA-N 0 0 423.922 2.705 50 0 HFAARN CCCN(CCC)C(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O ZINC000067255204 571055378 /nfs/dbraw/zinc/05/53/78/571055378.db2.gz XXPDETPAXLDLOL-UHFFFAOYSA-N 0 0 404.532 2.947 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2=O)cc1 ZINC000067256171 571056149 /nfs/dbraw/zinc/05/61/49/571056149.db2.gz HGJRYDUMFLWYQL-UHFFFAOYSA-N 0 0 405.454 2.525 50 0 HFAARN CCOc1ccccc1-n1ccn(CC(=O)N[C@H](C)CCc2ccccc2)c(=O)c1=O ZINC000067256671 571056246 /nfs/dbraw/zinc/05/62/46/571056246.db2.gz YDZPBCPMKXXNED-GOSISDBHSA-N 0 0 421.497 2.535 50 0 HFAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NC[C@H]4CCCO4)ccn3n2)cc1 ZINC000067261046 571059849 /nfs/dbraw/zinc/05/98/49/571059849.db2.gz ZBBLNAWCFYAUDE-LJQANCHMSA-N 0 0 408.502 2.972 50 0 HFAARN Cc1cccc(-n2c(=O)nc3nc(NCc4ccc5c(c4)OCO5)[nH]cc-3c2=O)c1C ZINC000067263613 571062133 /nfs/dbraw/zinc/06/21/33/571062133.db2.gz YWUHNYVUFBRUCE-UHFFFAOYSA-N 0 0 417.425 2.839 50 0 HFAARN COc1ccccc1-n1c(=O)nc2nc(NCc3cc(F)cc(F)c3)[nH]cc-2c1=O ZINC000067263817 571062222 /nfs/dbraw/zinc/06/22/22/571062222.db2.gz PODJPAIGPJALPK-UHFFFAOYSA-N 0 0 411.368 2.780 50 0 HFAARN Cn1c(SCC(=O)N2CCC[C@@H](C(N)=O)C2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000008505218 571062779 /nfs/dbraw/zinc/06/27/79/571062779.db2.gz FPINMKXSGMULTA-OAHLLOKOSA-N 0 0 415.563 2.596 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]nc3Nc3ccccc3F)CC2)cc1 ZINC000067284452 571063618 /nfs/dbraw/zinc/06/36/18/571063618.db2.gz JJAMEEZRSMNEAC-UHFFFAOYSA-N 0 0 408.437 2.852 50 0 HFAARN CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286950 571065124 /nfs/dbraw/zinc/06/51/24/571065124.db2.gz NFAOBQMOJFJXOD-QGZVFWFLSA-N 0 0 407.561 2.628 50 0 HFAARN O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000008521003 571073986 /nfs/dbraw/zinc/07/39/86/571073986.db2.gz KQHGKNTYWIRXGP-INIZCTEOSA-N 0 0 411.570 2.615 50 0 HFAARN CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCCc2ccccc21 ZINC000008528067 571074270 /nfs/dbraw/zinc/07/42/70/571074270.db2.gz FPKRPACZQDLVJY-GBXCKJPGSA-N 0 0 403.482 2.916 50 0 HFAARN O=C(CSc1nnc2ccccn21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008528574 571074703 /nfs/dbraw/zinc/07/47/03/571074703.db2.gz MNKJJAXUEKRMFJ-UHFFFAOYSA-N 0 0 407.455 2.983 50 0 HFAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)N[C@H]1CCc2ccccc21 ZINC000067317083 571075975 /nfs/dbraw/zinc/07/59/75/571075975.db2.gz ZHKSFVXSMAAMQV-INIZCTEOSA-N 0 0 409.515 2.647 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)cc1 ZINC000067316830 571075981 /nfs/dbraw/zinc/07/59/81/571075981.db2.gz YXTGUMHPJPJFJH-UHFFFAOYSA-N 0 0 423.444 2.734 50 0 HFAARN COc1ccc(NC(=O)C2=NN(CC(=O)Nc3ccc(C)c(C)c3)C(=O)CC2)cc1 ZINC000067336699 571080042 /nfs/dbraw/zinc/08/00/42/571080042.db2.gz BZIORXCVXNSBBZ-UHFFFAOYSA-N 0 0 408.458 2.868 50 0 HFAARN CCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1 ZINC000008589814 571085180 /nfs/dbraw/zinc/08/51/80/571085180.db2.gz SGPGRWNTLHXOLD-UHFFFAOYSA-N 0 0 406.486 2.654 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008598977 571088796 /nfs/dbraw/zinc/08/87/96/571088796.db2.gz WSZJCXXKRARKBP-LJQANCHMSA-N 0 0 406.479 2.694 50 0 HFAARN NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)CC1 ZINC000008599402 571089195 /nfs/dbraw/zinc/08/91/95/571089195.db2.gz GCCDSAPQRYXMND-UHFFFAOYSA-N 0 0 408.483 2.886 50 0 HFAARN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 ZINC000038860498 571090486 /nfs/dbraw/zinc/09/04/86/571090486.db2.gz KIQPZSMJQUCGLP-HNNXBMFYSA-N 0 0 400.378 2.871 50 0 HFAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)c1 ZINC000008607954 571093078 /nfs/dbraw/zinc/09/30/78/571093078.db2.gz KZJXYXOZTGHJBO-MRXNPFEDSA-N 0 0 424.954 2.835 50 0 HFAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1nonc1NC(C)=O ZINC000008614102 571095733 /nfs/dbraw/zinc/09/57/33/571095733.db2.gz QYDVLUKDOJIATM-UHFFFAOYSA-N 0 0 421.870 2.691 50 0 HFAARN 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CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 ZINC000070655993 571271731 /nfs/dbraw/zinc/27/17/31/571271731.db2.gz BSQTWOOWJIDKNI-INIZCTEOSA-N 0 0 420.473 2.694 50 0 HFAARN CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3c(cc21)OCO3 ZINC000070666348 571272190 /nfs/dbraw/zinc/27/21/90/571272190.db2.gz OWOIFZSKQWPQLM-UHFFFAOYSA-N 0 0 424.453 2.740 50 0 biogenic HFAARN CCc1ccc(-n2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1 ZINC000009616152 571274072 /nfs/dbraw/zinc/27/40/72/571274072.db2.gz PPRCMDCJGRIVBR-UHFFFAOYSA-N 0 0 424.460 2.771 50 0 HFAARN CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)nn1 ZINC000009626770 571274549 /nfs/dbraw/zinc/27/45/49/571274549.db2.gz XZOUKKUDWJJXGZ-UHFFFAOYSA-N 0 0 421.434 2.906 50 0 HFAARN O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCC(c2ccccc2)=N1 ZINC000009634574 571275055 /nfs/dbraw/zinc/27/50/55/571275055.db2.gz AQBWOTYIHDGQKO-JOCHJYFZSA-N 0 0 421.478 2.795 50 0 HFAARN Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000009634210 571275119 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50 0 HFAARN O=C(Nc1cccc(Br)c1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000070816077 571278526 /nfs/dbraw/zinc/27/85/26/571278526.db2.gz APKBRGFKKISVHQ-UHFFFAOYSA-N 0 0 403.232 2.889 50 0 HFAARN Cc1ccn2c(=O)cc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nc2c1 ZINC000009671655 571278668 /nfs/dbraw/zinc/27/86/68/571278668.db2.gz JXDCJWJWTWYDEL-UHFFFAOYSA-N 0 0 424.460 2.999 50 0 HFAARN O=C(OCc1nnc(-c2ccco2)o1)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000009683139 571279232 /nfs/dbraw/zinc/27/92/32/571279232.db2.gz BIFUKCUWOSZNCC-VBKZILBWSA-N 0 0 411.439 2.964 50 0 HFAARN COc1ccc([C@H]2CCCN2C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(OC)c1 ZINC000009690864 571280336 /nfs/dbraw/zinc/28/03/36/571280336.db2.gz QEVMYYNWYXLYAR-QGZVFWFLSA-N 0 0 415.490 2.622 50 0 HFAARN O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1cccc(F)c1 ZINC000009721671 571281775 /nfs/dbraw/zinc/28/17/75/571281775.db2.gz BDEATQOCHJUHCF-UHFFFAOYSA-N 0 0 416.474 2.927 50 0 HFAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(F)c4)ncn3n2)cc1 ZINC000009727271 571282488 /nfs/dbraw/zinc/28/24/88/571282488.db2.gz MAVHIQPUJABXQX-UHFFFAOYSA-N 0 0 405.433 2.576 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2ccc(COC)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000009728725 571282824 /nfs/dbraw/zinc/28/28/24/571282824.db2.gz DETNHAMBHZKXEN-HXUWFJFHSA-N 0 0 424.453 2.861 50 0 HFAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)Nc2ccccc2)c2ccco2)cc1 ZINC000009740193 571283402 /nfs/dbraw/zinc/28/34/02/571283402.db2.gz WAFLSLOJYDSPJK-IBGZPJMESA-N 0 0 412.467 2.858 50 0 HFAARN COc1ccc(NC(=O)Cc2sc(NNc3ccccc3)nc2O)c(OC)c1 ZINC000009751157 571284175 /nfs/dbraw/zinc/28/41/75/571284175.db2.gz GCGBUCCWYYLPQV-INIZCTEOSA-N 0 0 400.460 2.647 50 0 HFAARN NC(=O)c1nn(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c(=O)c2ccccc21 ZINC000009754579 571284384 /nfs/dbraw/zinc/28/43/84/571284384.db2.gz KUXZYVCCPNOILB-UHFFFAOYSA-N 0 0 419.485 2.515 50 0 HFAARN CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000009754302 571284408 /nfs/dbraw/zinc/28/44/08/571284408.db2.gz PCCSIGOLFAOISW-NRFANRHFSA-N 0 0 416.543 2.908 50 0 HFAARN 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CC(=O)Nc1ccc(SCCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000011793311 132350767 /nfs/dbraw/zinc/35/07/67/132350767.db2.gz ISIZNJHGKHYMSN-UHFFFAOYSA-N 0 0 417.510 2.795 50 0 HFAARN O=S(=O)(Cc1cccc(Cl)c1)NCCN1CCN(c2ccccc2F)CC1 ZINC000011900956 132351742 /nfs/dbraw/zinc/35/17/42/132351742.db2.gz HFDFCCKTTDUROE-UHFFFAOYSA-N 0 0 411.930 2.721 50 0 HFAARN O=C(C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1)N1CCCC1 ZINC000011933111 132352375 /nfs/dbraw/zinc/35/23/75/132352375.db2.gz YZGXFKMTVMEGTK-UHFFFAOYSA-N 0 0 413.507 2.525 50 0 HFAARN O=C(CCC1CCN(C(=O)Cc2ccccn2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012298843 132358187 /nfs/dbraw/zinc/35/81/87/132358187.db2.gz YRBVPICLMZRTCE-UHFFFAOYSA-N 0 0 420.557 2.992 50 0 HFAARN COc1ccc(-c2cnnc(N3CCC([C@@H](O)c4ccccn4)CC3)n2)c(OC)c1 ZINC000012308601 132358317 /nfs/dbraw/zinc/35/83/17/132358317.db2.gz CJVOZOVZHUMMMX-OAQYLSRUSA-N 0 0 407.474 2.901 50 0 HFAARN CCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)Nc1cccc(OC)c1 ZINC000012414837 132359665 /nfs/dbraw/zinc/35/96/65/132359665.db2.gz 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HFAARN CCN1C[C@@H](CN(C)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)Oc2ccccc21 ZINC000032820767 521727535 /nfs/dbraw/zinc/72/75/35/521727535.db2.gz DBIUGXKAYAXANC-HXUWFJFHSA-N 0 0 424.501 2.963 50 0 HFAARN CNC(=O)c1ccc(CN(C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C2CC2)cc1 ZINC000032760868 521807870 /nfs/dbraw/zinc/80/78/70/521807870.db2.gz BMDSTXZRHYTYSN-UHFFFAOYSA-N 0 0 407.449 2.879 50 0 HFAARN CNC(=O)c1nn(-c2ccc(Cl)cc2)s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000001409819 521928720 /nfs/dbraw/zinc/92/87/20/521928720.db2.gz SRCZNBFRCXFXOO-UZYVYHOESA-N 0 0 402.863 2.697 50 0 HFAARN CNS(=O)(=O)Cc1ccccc1CNc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000032769880 522213900 /nfs/dbraw/zinc/21/39/00/522213900.db2.gz BYZQVVXAWGASQE-UHFFFAOYSA-N 0 0 424.526 2.788 50 0 HFAARN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 ZINC000019857672 522232089 /nfs/dbraw/zinc/23/20/89/522232089.db2.gz UQJGKYMCWYKBKC-GOSISDBHSA-N 0 0 416.499 2.654 50 0 HFAARN CN(C)c1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCO4)CC2)c1 ZINC000042382382 522258662 /nfs/dbraw/zinc/25/86/62/522258662.db2.gz QARROINFLUAAKT-UXHICEINSA-N 0 0 421.497 2.569 50 0 HFAARN CNS(=O)(=O)c1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1C ZINC000032869178 522269787 /nfs/dbraw/zinc/26/97/87/522269787.db2.gz QVFPRONEAJGJCK-UHFFFAOYSA-N 0 0 410.499 2.830 50 0 HFAARN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2c[nH]nc2C)cc1 ZINC000072302811 522296352 /nfs/dbraw/zinc/29/63/52/522296352.db2.gz JHVJXBXSQSTJSN-UHFFFAOYSA-N 0 0 416.528 2.707 50 0 HFAARN COc1cc(COCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc(OC)c1 ZINC000077191479 522499904 /nfs/dbraw/zinc/49/99/04/522499904.db2.gz FDZNHFMVKNMESN-UHFFFAOYSA-N 0 0 406.504 2.716 50 0 HFAARN COc1cc(N2C[C@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc(OC)c1OC ZINC000032796241 522637819 /nfs/dbraw/zinc/63/78/19/522637819.db2.gz SIJBFVVDSQVNMQ-OAHLLOKOSA-N 0 0 412.442 2.907 50 0 HFAARN CNc1nc(-n2cnc(SCCOc3ccccc3C)n2)nc(N2CCCC2)n1 ZINC000025496327 522676094 /nfs/dbraw/zinc/67/60/94/522676094.db2.gz TZZGBAVOMCSMOM-UHFFFAOYSA-N 0 0 412.523 2.574 50 0 HFAARN CCc1nn2c(ncc3c2ccn(CCCN2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040387965 522712301 /nfs/dbraw/zinc/71/23/01/522712301.db2.gz HWKHEPXZZPZZKH-UHFFFAOYSA-N 0 0 417.513 2.996 50 0 HFAARN COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 ZINC000040312906 522986857 /nfs/dbraw/zinc/98/68/57/522986857.db2.gz HFBJAIZEWSLBMW-FQEVSTJZSA-N 0 0 414.462 2.529 50 0 biogenic HFAARN CCn1c(-c2ccc(NC(C)=O)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000032668275 523080821 /nfs/dbraw/zinc/08/08/21/523080821.db2.gz HKPYHQNIQOWJQL-UHFFFAOYSA-N 0 0 403.442 2.580 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)cc1 ZINC000044917581 523126819 /nfs/dbraw/zinc/12/68/19/523126819.db2.gz FYVMDPWMQFOCGN-OAQYLSRUSA-N 0 0 405.454 2.519 50 0 HFAARN COc1ccc(-c2nc(COC(=O)C[C@H]3C=CS(=O)(=O)C3)cs2)cc1OC ZINC000032828940 523211820 /nfs/dbraw/zinc/21/18/20/523211820.db2.gz UMQYBTBWQFMMMR-GFCCVEGCSA-N 0 0 409.485 2.819 50 0 HFAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ncccc2c1=O ZINC000032876493 523228518 /nfs/dbraw/zinc/22/85/18/523228518.db2.gz BDDZCPDUQQQYOZ-UHFFFAOYSA-N 0 0 400.460 2.559 50 0 HFAARN COCc1nn2c(ncc3c2ccn(-n2c(C)nnc2C)c3=O)c1-c1ccc(F)cc1 ZINC000040397132 523246638 /nfs/dbraw/zinc/24/66/38/523246638.db2.gz LCMHNUIBCXJPPU-UHFFFAOYSA-N 0 0 419.420 2.516 50 0 HFAARN COCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)cc2C1=O ZINC000032889197 523295414 /nfs/dbraw/zinc/29/54/14/523295414.db2.gz MZDGWEPRJBCGSY-CYBMUJFWSA-N 0 0 410.426 2.539 50 0 HFAARN CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000032759339 523374871 /nfs/dbraw/zinc/37/48/71/523374871.db2.gz YIHRUTGKMLGXBF-UHFFFAOYSA-N 0 0 408.545 2.511 50 0 HFAARN COc1ccc(C(=O)Cn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1F ZINC000032741894 523595454 /nfs/dbraw/zinc/59/54/54/523595454.db2.gz BHUNSEHDUXRTBY-UHFFFAOYSA-N 0 0 409.483 2.705 50 0 HFAARN CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000020511584 523639477 /nfs/dbraw/zinc/63/94/77/523639477.db2.gz HIZGAVKXUFVHJX-QGZVFWFLSA-N 0 0 405.495 2.535 50 0 HFAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3n2CCC(C)C)C1=O ZINC000032745228 523733561 /nfs/dbraw/zinc/73/35/61/523733561.db2.gz QAPNWLMFSIZFKA-HXUWFJFHSA-N 0 0 417.535 2.926 50 0 HFAARN COc1ccc(C(=O)Nc2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1OC ZINC000032124329 523741362 /nfs/dbraw/zinc/74/13/62/523741362.db2.gz JVOLUSWWARUMHR-UHFFFAOYSA-N 0 0 400.431 2.681 50 0 biogenic HFAARN COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1OC ZINC000040267548 523880683 /nfs/dbraw/zinc/88/06/83/523880683.db2.gz WIVUDGHHPRTNHF-NRFANRHFSA-N 0 0 414.389 2.678 50 0 HFAARN COCCNC(=O)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000033050773 523900670 /nfs/dbraw/zinc/90/06/70/523900670.db2.gz UAZURCVNQBQZNO-UHFFFAOYSA-N 0 0 416.478 2.669 50 0 HFAARN CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@H]1O ZINC000107040139 523945881 /nfs/dbraw/zinc/94/58/81/523945881.db2.gz HPLWRCQIMODPPC-VQTJNVASSA-N 0 0 402.516 2.887 50 0 HFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)cc1OC ZINC000020577719 523976169 /nfs/dbraw/zinc/97/61/69/523976169.db2.gz DFOXKGACEYFZEX-UHFFFAOYSA-N 0 0 416.499 2.970 50 0 HFAARN CN(C)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000029710318 523984257 /nfs/dbraw/zinc/98/42/57/523984257.db2.gz VTZWUEDHXIRSKT-UHFFFAOYSA-N 0 0 403.276 2.840 50 0 HFAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F ZINC000023805889 524032516 /nfs/dbraw/zinc/03/25/16/524032516.db2.gz CRDIIPKOYQCQPL-UHFFFAOYSA-N 0 0 404.507 2.830 50 0 HFAARN COc1ccc(CNC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)c(OC)c1 ZINC000041254579 524048895 /nfs/dbraw/zinc/04/88/95/524048895.db2.gz VMWNXLOBVXWJBB-UHFFFAOYSA-N 0 0 411.433 2.773 50 0 HFAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000045899381 524075798 /nfs/dbraw/zinc/07/57/98/524075798.db2.gz UKFYNGHYVSWXHC-UHFFFAOYSA-N 0 0 417.440 2.628 50 0 HFAARN C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)n1cnc2ccccc21 ZINC000031816928 524126039 /nfs/dbraw/zinc/12/60/39/524126039.db2.gz KMODNCUWDQAUBK-KRWDZBQOSA-N 0 0 406.486 2.713 50 0 HFAARN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000032797339 524154851 /nfs/dbraw/zinc/15/48/51/524154851.db2.gz FISUSABAUXJOTN-FQEVSTJZSA-N 0 0 400.567 2.651 50 0 HFAARN COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC000044918149 524269584 /nfs/dbraw/zinc/26/95/84/524269584.db2.gz NGJQUGKEPRYOQH-UHFFFAOYSA-N 0 0 403.438 2.711 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)c(C)c1 ZINC000044038526 524324607 /nfs/dbraw/zinc/32/46/07/524324607.db2.gz RGUDBQNWSBTFGE-UHFFFAOYSA-N 0 0 416.543 2.938 50 0 HFAARN Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccccc3F)c(=O)n(-c3ccccc3)c2n1 ZINC000020353573 524342427 /nfs/dbraw/zinc/34/24/27/524342427.db2.gz XSWKETVSQPTIDC-UHFFFAOYSA-N 0 0 418.428 2.942 50 0 HFAARN COc1ccccc1C(=O)Nc1nc(S(=O)(=O)Cc2ccc(F)cc2)ns1 ZINC000032958464 524360211 /nfs/dbraw/zinc/36/02/11/524360211.db2.gz JUVVOFDHOCJYST-UHFFFAOYSA-N 0 0 407.448 2.912 50 0 HFAARN COc1ccc(N2Cc3nc(=O)n(Cc4ccc(Br)cc4)n3C2=O)cc1 ZINC000040268662 524448897 /nfs/dbraw/zinc/44/88/97/524448897.db2.gz WIAVOIGDVWXTAZ-UHFFFAOYSA-N 0 0 415.247 2.853 50 0 HFAARN CC(=O)N1CCOc2cc(S(=O)(=O)N3CCC[C@@H]3c3c(C)noc3C)ccc21 ZINC000033270259 534801839 /nfs/dbraw/zinc/80/18/39/534801839.db2.gz URVJLISISYLBOQ-QGZVFWFLSA-N 0 0 405.476 2.563 50 0 HFAARN C[C@@H](CNC(=O)c1cccc(I)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032828405 524724052 /nfs/dbraw/zinc/72/40/52/524724052.db2.gz WBEGXNRJRWRYKO-RWMBFGLXSA-N 0 0 402.276 2.519 50 0 HFAARN COc1ccccc1[C@@H](O)Cn1cc(C(=O)NCc2ccccc2C(F)(F)F)nn1 ZINC000077197270 524741360 /nfs/dbraw/zinc/74/13/60/524741360.db2.gz SWZSGMJWARRBGH-KRWDZBQOSA-N 0 0 420.391 2.969 50 0 HFAARN COc1ccc(OC)c(N2C(=S)N(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000001128436 524842612 /nfs/dbraw/zinc/84/26/12/524842612.db2.gz BKQBTEWJKJIGSS-ROUUACIJSA-N 0 0 418.540 2.789 50 0 HFAARN Cc1ccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC000040052685 524977654 /nfs/dbraw/zinc/97/76/54/524977654.db2.gz FBFGCGOGOGPQFC-WMZOPIPTSA-N 0 0 414.527 2.971 50 0 HFAARN COc1ccc(OCc2noc(CNC(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1 ZINC000044227379 524978661 /nfs/dbraw/zinc/97/86/61/524978661.db2.gz WCIZWYZGEVYHHA-UHFFFAOYSA-N 0 0 419.441 2.832 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000032967358 525052377 /nfs/dbraw/zinc/05/23/77/525052377.db2.gz VNEJYYVJZHLNKD-HZPDHXFCSA-N 0 0 420.506 2.896 50 0 HFAARN COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)N2CCOCC2)cc1 ZINC000023805936 525184941 /nfs/dbraw/zinc/18/49/41/525184941.db2.gz WLDSZVYJIIJYSK-JOCHJYFZSA-N 0 0 423.513 2.625 50 0 HFAARN Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)cc1C ZINC000032926687 525196546 /nfs/dbraw/zinc/19/65/46/525196546.db2.gz LLPWXVSWOPGMES-LJQANCHMSA-N 0 0 418.515 2.972 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000006563195 534847803 /nfs/dbraw/zinc/84/78/03/534847803.db2.gz UVOULDLFEOFXII-UHFFFAOYSA-N 0 0 423.557 2.870 50 0 HFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000032850807 525555151 /nfs/dbraw/zinc/55/51/51/525555151.db2.gz ICEOEGPJFUFRFU-RBUKOAKNSA-N 0 0 404.557 2.890 50 0 HFAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000032904893 525563265 /nfs/dbraw/zinc/56/32/65/525563265.db2.gz QPXRMFYZGPKMBR-UHFFFAOYSA-N 0 0 413.499 2.580 50 0 HFAARN Cc1c(C(=O)NC[C@H](CO)Cc2ccco2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000032803236 525624146 /nfs/dbraw/zinc/62/41/46/525624146.db2.gz FLWDVAJIZYVGEQ-CQSZACIVSA-N 0 0 415.515 2.667 50 0 HFAARN Cc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000000878962 525757577 /nfs/dbraw/zinc/75/75/77/525757577.db2.gz IWMOEFKICNYEPK-UHFFFAOYSA-N 0 0 421.950 2.763 50 0 HFAARN C[C@@H](O)CNC(=O)C1CCN(c2ccc(Sc3ccc(Cl)cc3)nn2)CC1 ZINC000045921710 525800869 /nfs/dbraw/zinc/80/08/69/525800869.db2.gz NKADMHHHXZUECW-CYBMUJFWSA-N 0 0 406.939 2.995 50 0 HFAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000009883205 525839173 /nfs/dbraw/zinc/83/91/73/525839173.db2.gz NHWGRBUROGLVGW-UHFFFAOYSA-N 0 0 424.526 2.565 50 0 HFAARN C[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)NC(=O)NC1=O ZINC000032818918 525891824 /nfs/dbraw/zinc/89/18/24/525891824.db2.gz XRQOJYQVZSVQSQ-INIZCTEOSA-N 0 0 414.270 2.849 50 0 HFAARN COc1cccc(CN(C)C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)c1 ZINC000072297066 525911005 /nfs/dbraw/zinc/91/10/05/525911005.db2.gz VHVKASITKXLPNN-ZDUSSCGKSA-N 0 0 400.504 2.729 50 0 HFAARN C[C@@]12C[C@@H](c3ccccc3O1)n1c(=O)c(=Cc3c[nH]nc3-c3ccccc3)sc1=N2 ZINC000390834935 525916307 /nfs/dbraw/zinc/91/63/07/525916307.db2.gz TVPVBGJMMZVKKU-VGFAJPMMSA-N 0 0 414.490 2.850 50 0 HFAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCc1cccc(C)c1)nc2C ZINC000020563048 525935985 /nfs/dbraw/zinc/93/59/85/525935985.db2.gz ICSUGPJOJOHXCR-UHFFFAOYSA-N 0 0 401.470 2.824 50 0 HFAARN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000032300059 526023742 /nfs/dbraw/zinc/02/37/42/526023742.db2.gz ZVKRCZOZXWHPBL-MRXNPFEDSA-N 0 0 413.493 2.830 50 0 HFAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)Cc1nc(-c2ccccc2)no1 ZINC000032796944 526140740 /nfs/dbraw/zinc/14/07/40/526140740.db2.gz YHHNTFYQGYTCFC-LLVKDONJSA-N 0 0 407.398 2.957 50 0 HFAARN COc1cccc(N2CCN(C(=O)CCCN3C(=S)NC(C)(C)C[C@@H]3C)CC2)c1 ZINC000020107487 526147148 /nfs/dbraw/zinc/14/71/48/526147148.db2.gz NVUSNASHOVPALA-KRWDZBQOSA-N 0 0 418.607 2.871 50 0 HFAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CC2)c1 ZINC000032816064 526150702 /nfs/dbraw/zinc/15/07/02/526150702.db2.gz GVUPLTHFBFYHEI-NRFANRHFSA-N 0 0 421.541 2.825 50 0 HFAARN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000032911756 526171438 /nfs/dbraw/zinc/17/14/38/526171438.db2.gz ZCDZROZJVAIDDY-KRWDZBQOSA-N 0 0 419.485 2.905 50 0 HFAARN COc1cccc(NC(=O)Cn2nc(SC)n3c2nc2sc(C)cc2c3=O)c1 ZINC000040266393 526185036 /nfs/dbraw/zinc/18/50/36/526185036.db2.gz DJFWFSKSMUFGLR-UHFFFAOYSA-N 0 0 415.500 2.783 50 0 HFAARN Cc1nn2c(ncc3c2ccn(CCCN2CCOCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040397050 526313359 /nfs/dbraw/zinc/31/33/59/526313359.db2.gz AUFZANMGFRRSJT-UHFFFAOYSA-N 0 0 421.476 2.881 50 0 HFAARN Cc1nnc(-c2cnn(C)c2N)n1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020386492 526322412 /nfs/dbraw/zinc/32/24/12/526322412.db2.gz QMUWJQMRNQQESY-UHFFFAOYSA-N 0 0 400.796 2.749 50 0 HFAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000032090934 526474382 /nfs/dbraw/zinc/47/43/82/526474382.db2.gz FSUWEHUTYDJIHK-UHFFFAOYSA-N 0 0 411.893 2.574 50 0 HFAARN O=C(NC[C@@H](O)COc1cccc(F)c1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000032933081 526486514 /nfs/dbraw/zinc/48/65/14/526486514.db2.gz JRSOFEOSSPKEHF-LJQANCHMSA-N 0 0 420.444 2.788 50 0 HFAARN Cc1n[nH]c(C)c1CCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000225726639 526489765 /nfs/dbraw/zinc/48/97/65/526489765.db2.gz CWMITZAPHCEURC-UHFFFAOYSA-N 0 0 410.444 2.862 50 0 HFAARN O=C(CCNC(=O)c1ccccc1OC(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000032937039 526505891 /nfs/dbraw/zinc/50/58/91/526505891.db2.gz RCELKBYVFCGCGI-UHFFFAOYSA-N 0 0 421.419 2.896 50 0 HFAARN 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50 0 HFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000001463502 557268745 /nfs/dbraw/zinc/26/87/45/557268745.db2.gz VBBKCGPFEJCEDQ-UHFFFAOYSA-N 0 0 423.535 2.715 50 0 HFAARN CCOC(=O)NC(=S)Nc1cc2nc(C)[nH]c2cc1NC(=S)NC(=O)OCC ZINC000001888957 557294235 /nfs/dbraw/zinc/29/42/35/557294235.db2.gz QHROVMKTTDYZJK-UHFFFAOYSA-N 0 0 424.508 2.757 50 0 HFAARN Cc1ccc(S(=O)(=O)NCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002024051 557299482 /nfs/dbraw/zinc/29/94/82/557299482.db2.gz BDBVTUYVWGRBDQ-UHFFFAOYSA-N 0 0 410.561 2.731 50 0 biogenic HFAARN COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000002072035 557307514 /nfs/dbraw/zinc/30/75/14/557307514.db2.gz HHLRBXRQILAWAS-UHFFFAOYSA-N 0 0 406.504 2.671 50 0 HFAARN COc1ccc(N2C(=O)C[C@@H](NNc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 ZINC000002319981 557336941 /nfs/dbraw/zinc/33/69/41/557336941.db2.gz XXZRWTQHHGTJBU-SECBINFHSA-N 0 0 401.291 2.639 50 0 HFAARN O=C(COc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1 ZINC000034667578 557361061 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O=C(NN1CCOCC1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000002780677 557761583 /nfs/dbraw/zinc/76/15/83/557761583.db2.gz CKQULXNHRSYHTI-UHFFFAOYSA-N 0 0 409.343 2.531 50 0 HFAARN CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)CC1 ZINC000002803835 557763232 /nfs/dbraw/zinc/76/32/32/557763232.db2.gz QDEHGBYEDMTJNI-UHFFFAOYSA-N 0 0 405.448 2.508 50 0 HFAARN CCn1ncc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c1C(=O)N(C)C ZINC000002805187 557763730 /nfs/dbraw/zinc/76/37/30/557763730.db2.gz CEOAKXFMKOBUIP-UHFFFAOYSA-N 0 0 420.823 2.811 50 0 HFAARN O=C(Cn1nc(C(F)F)cc1C(F)F)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000002791114 557764048 /nfs/dbraw/zinc/76/40/48/557764048.db2.gz IKBSQUZAWHORKH-UHFFFAOYSA-N 0 0 401.345 2.527 50 0 HFAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000002855314 557768588 /nfs/dbraw/zinc/76/85/88/557768588.db2.gz UXIMPTAWCJJGQK-HNNXBMFYSA-N 0 0 421.906 2.768 50 0 biogenic HFAARN Cc1cccc(C)c1O[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 ZINC000008163372 557774114 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COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000019899193 558304612 /nfs/dbraw/zinc/30/46/12/558304612.db2.gz UQKNLCSSIHMKNT-UHFFFAOYSA-N 0 0 405.506 2.524 50 0 HFAARN O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000011978312 558305913 /nfs/dbraw/zinc/30/59/13/558305913.db2.gz WCAWEPGHCXFZBU-KRWDZBQOSA-N 0 0 407.401 2.674 50 0 HFAARN CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000012026882 558310455 /nfs/dbraw/zinc/31/04/55/558310455.db2.gz XTRDRELXJUQGJI-FQEVSTJZSA-N 0 0 414.527 2.907 50 0 HFAARN O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NCc1cnn(-c2ccccc2)n1 ZINC000012036349 558311935 /nfs/dbraw/zinc/31/19/35/558311935.db2.gz LRUXOTXCVPQUBT-HSZRJFAPSA-N 0 0 403.486 2.555 50 0 HFAARN O=C([C@H]1CCC(=O)N(CC2CCCCC2)C1)N1CCC(CN2CCCC2=O)CC1 ZINC000012074386 558319140 /nfs/dbraw/zinc/31/91/40/558319140.db2.gz KSXNINPOXSPBAU-FQEVSTJZSA-N 0 0 403.567 2.666 50 0 HFAARN COc1ccc(F)c(C[C@]2(CCC(=O)NCc3nc(C)cs3)CCC(=O)N2)c1 ZINC000012098555 558325265 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ZINC000004593574 558831377 /nfs/dbraw/zinc/83/13/77/558831377.db2.gz RJLKSNZPIIILML-KRWDZBQOSA-N 0 0 407.488 2.985 50 0 HFAARN COCCCNC(=O)CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033011893 558831616 /nfs/dbraw/zinc/83/16/16/558831616.db2.gz OSIMABCRZJRMHK-UHFFFAOYSA-N 0 0 400.913 2.689 50 0 HFAARN COCCNC(=O)CNC(=O)c1ccccc1Oc1cccc(Br)c1 ZINC000071945889 558834235 /nfs/dbraw/zinc/83/42/35/558834235.db2.gz SGIMITAGJSBXLZ-UHFFFAOYSA-N 0 0 407.264 2.734 50 0 HFAARN CC1C(=O)N=C(Sc2cc(O)n(-c3cc(Cl)cc(Cl)c3)c2O)NC1=O ZINC000018249567 558834584 /nfs/dbraw/zinc/83/45/84/558834584.db2.gz KCGMDBWYBHBFKX-SNVBAGLBSA-N 0 0 400.243 2.927 50 0 HFAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000018276293 558835387 /nfs/dbraw/zinc/83/53/87/558835387.db2.gz ZWHRMMUURXOJKE-GOSISDBHSA-N 0 0 422.510 2.759 50 0 HFAARN CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c3ccccc3)ccc21 ZINC000033023924 558841266 /nfs/dbraw/zinc/84/12/66/558841266.db2.gz CLIQYFOIRKWXOP-OAHLLOKOSA-N 0 0 415.519 2.510 50 0 HFAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]3(C)N3CCCN23)cc1 ZINC000019168557 558847256 /nfs/dbraw/zinc/84/72/56/558847256.db2.gz BBNZBKJIGYHXIZ-MZKRTTBSSA-N 0 0 407.470 2.630 50 0 HFAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]3(C)N3CCCN23)cc1 ZINC000019172723 558847382 /nfs/dbraw/zinc/84/73/82/558847382.db2.gz BBNZBKJIGYHXIZ-VIZSFHNOSA-N 0 0 407.470 2.630 50 0 HFAARN O=C(Nc1ccc(F)cc1F)C1=C(NC[C@@H]2CCCO2)c2ccccc2S1(=O)=O ZINC000033026532 558847918 /nfs/dbraw/zinc/84/79/18/558847918.db2.gz YWTCALFOXSDTDK-ZDUSSCGKSA-N 0 0 420.437 2.828 50 0 HFAARN CC(C)[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)n1nnc2ccccc2c1=O ZINC000013625590 558848462 /nfs/dbraw/zinc/84/84/62/558848462.db2.gz AQANIZXUAISLSH-HXUWFJFHSA-N 0 0 407.449 2.968 50 0 HFAARN COCc1nnc(C(=O)Nc2ccc(C(=O)NCc3cccc(OC)c3)cc2)s1 ZINC000033032116 558856558 /nfs/dbraw/zinc/85/65/58/558856558.db2.gz HQPNQDIQQNHUCJ-UHFFFAOYSA-N 0 0 412.471 2.875 50 0 biogenic HFAARN CCOC(=O)c1c2ccccc2sc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000013705056 558857513 /nfs/dbraw/zinc/85/75/13/558857513.db2.gz ZQVNXXSYPJBGHG-UHFFFAOYSA-N 0 0 410.517 2.688 50 0 HFAARN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000060348025 558859382 /nfs/dbraw/zinc/85/93/82/558859382.db2.gz WCSVZQPSDNSIKF-SWLSCSKDSA-N 0 0 409.939 2.509 50 0 HFAARN C[C@@H]1NC(=O)c2ccccc2N(CC(=O)NCCc2c[nH]c3ccc(F)cc23)C1=O ZINC000072325136 558861771 /nfs/dbraw/zinc/86/17/71/558861771.db2.gz LXIYJSGQXXVWDP-ZDUSSCGKSA-N 0 0 408.433 2.706 50 0 biogenic HFAARN O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000072325733 558862461 /nfs/dbraw/zinc/86/24/61/558862461.db2.gz MDHPWEZBWJASOK-FKIZTMCRSA-N 0 0 423.513 2.753 50 0 biogenic HFAARN C[C@@H]1COCCN1c1cc([C@H]2C[C@H]2[S@](C)(=N)=O)nc(-c2ccnc3[nH]ccc32)n1 ZINC000514264184 558863208 /nfs/dbraw/zinc/86/32/08/558863208.db2.gz QCMVAPXCVDFKBD-SIYLWXDFSA-N 0 0 412.519 2.729 50 0 HFAARN COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000054274328 558867236 /nfs/dbraw/zinc/86/72/36/558867236.db2.gz ZRJHYGJUKRICSL-UHFFFAOYSA-N 0 0 421.505 2.537 50 0 HFAARN O=C(NCc1ccc(F)cc1)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000033073804 558867472 /nfs/dbraw/zinc/86/74/72/558867472.db2.gz ULPOABOVOSQSKC-UHFFFAOYSA-N 0 0 410.493 2.990 50 0 HFAARN C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000071333865 558868281 /nfs/dbraw/zinc/86/82/81/558868281.db2.gz VFRTXNSNGWHRLS-CYBMUJFWSA-N 0 0 405.861 2.733 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000019352323 558875447 /nfs/dbraw/zinc/87/54/47/558875447.db2.gz AOSHKNOWAOKRKV-UHFFFAOYSA-N 0 0 403.262 2.887 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000033122573 558879155 /nfs/dbraw/zinc/87/91/55/558879155.db2.gz MPVRAFRZTXYKPQ-UHFFFAOYSA-N 0 0 403.504 2.978 50 0 HFAARN COc1cccc(NC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000033122457 558879170 /nfs/dbraw/zinc/87/91/70/558879170.db2.gz IROWMNSUDCBVDW-UHFFFAOYSA-N 0 0 403.504 2.978 50 0 HFAARN CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCC2=CCCCC2)cc1 ZINC000055408861 558881075 /nfs/dbraw/zinc/88/10/75/558881075.db2.gz KEZCRCISUVKQPR-WOJBJXKFSA-N 0 0 411.589 2.668 50 0 HFAARN COC(=O)c1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)cc1 ZINC000055568734 558882670 /nfs/dbraw/zinc/88/26/70/558882670.db2.gz QBKLPJATJVSXBT-UHFFFAOYSA-N 0 0 410.449 2.908 50 0 HFAARN CCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000033139814 558891608 /nfs/dbraw/zinc/89/16/08/558891608.db2.gz PSRRTWWMQLDHAT-UHFFFAOYSA-N 0 0 408.506 2.852 50 0 HFAARN CC(C)N(C)C(=O)COC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000057946123 558891737 /nfs/dbraw/zinc/89/17/37/558891737.db2.gz KZYSPRLVQZNVFW-UHFFFAOYSA-N 0 0 405.501 2.597 50 0 HFAARN O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057952541 558891743 /nfs/dbraw/zinc/89/17/43/558891743.db2.gz TUDXWSIVSSWLKS-UHFFFAOYSA-N 0 0 416.547 2.918 50 0 HFAARN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000058003586 558893998 /nfs/dbraw/zinc/89/39/98/558893998.db2.gz ZREXCRJXWCHRSH-VNDWYCCKSA-N 0 0 405.472 2.930 50 0 HFAARN CCc1ccc(S(=O)(=O)N(c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000058004284 558894168 /nfs/dbraw/zinc/89/41/68/558894168.db2.gz UTDDOCNEYJNLMG-QGZVFWFLSA-N 0 0 409.529 2.640 50 0 HFAARN COc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000004682311 558894250 /nfs/dbraw/zinc/89/42/50/558894250.db2.gz MUOHQRAQIGUHQY-UHFFFAOYSA-N 0 0 420.531 2.822 50 0 HFAARN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000058005531 558894503 /nfs/dbraw/zinc/89/45/03/558894503.db2.gz SZTJAACMCICOBL-UHFFFAOYSA-N 0 0 412.515 2.782 50 0 HFAARN Cc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)c1 ZINC000058012996 558895051 /nfs/dbraw/zinc/89/50/51/558895051.db2.gz IHNTWIYQEZAMGF-HYBUGGRVSA-N 0 0 408.498 2.999 50 0 HFAARN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C[C@@H](C)O1 ZINC000058019175 558895936 /nfs/dbraw/zinc/89/59/36/558895936.db2.gz PIHHFKPBDVTWFW-MCIONIFRSA-N 0 0 422.913 2.776 50 0 HFAARN C[C@@H](C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)n1cnc2ccccc21 ZINC000058054824 558897064 /nfs/dbraw/zinc/89/70/64/558897064.db2.gz YHBZCEJVYHYKCW-NYHFZMIOSA-N 0 0 405.458 2.572 50 0 HFAARN CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](O)c3cccc(Cl)c3)ccc21 ZINC000058061839 558897371 /nfs/dbraw/zinc/89/73/71/558897371.db2.gz WDHHXVAFFWOHRI-GOSISDBHSA-N 0 0 408.907 2.516 50 0 HFAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1nc(-c2ccccn2)cs1 ZINC000071385134 558897407 /nfs/dbraw/zinc/89/74/07/558897407.db2.gz SLOMNJRSBUCFBV-IJEWVQPXSA-N 0 0 403.533 2.869 50 0 HFAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1NC(=O)C1CC1 ZINC000033171162 558899921 /nfs/dbraw/zinc/89/99/21/558899921.db2.gz PTBSNHVZSIYWBH-WTKPLQERSA-N 0 0 417.487 2.523 50 0 HFAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCNC(=O)Cc1ccccc1 ZINC000058138349 558901289 /nfs/dbraw/zinc/90/12/89/558901289.db2.gz LTRTUHXHBBGYFY-HXUWFJFHSA-N 0 0 415.921 2.570 50 0 HFAARN CSc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)cn3)CC2=O)c1 ZINC000058154146 558902662 /nfs/dbraw/zinc/90/26/62/558902662.db2.gz KOSLFKRQAKYSJC-OAHLLOKOSA-N 0 0 412.515 2.632 50 0 HFAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1 ZINC000058157923 558903348 /nfs/dbraw/zinc/90/33/48/558903348.db2.gz SZSBEQNGPBAJBE-UHFFFAOYSA-N 0 0 401.513 2.668 50 0 HFAARN Cc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000058161805 558905645 /nfs/dbraw/zinc/90/56/45/558905645.db2.gz COBGIYQQGMAJPE-FQEVSTJZSA-N 0 0 408.546 2.981 50 0 HFAARN COc1ccc(OCCN2CCN(C(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1 ZINC000058174192 558908732 /nfs/dbraw/zinc/90/87/32/558908732.db2.gz RZPFXUXRJCWIJS-UHFFFAOYSA-N 0 0 424.505 2.514 50 0 HFAARN CCOc1ccc(CCNC(=O)CCNC(=O)c2ccc3n[nH]cc3c2)cc1OCC ZINC000058173938 558908794 /nfs/dbraw/zinc/90/87/94/558908794.db2.gz ZZHDPTCOEWMICU-UHFFFAOYSA-N 0 0 424.501 2.839 50 0 HFAARN CNC(=O)c1ccn(-c2ccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)cc2)n1 ZINC000058174876 558909086 /nfs/dbraw/zinc/90/90/86/558909086.db2.gz ZKAQZZHLKAGMBD-SFHVURJKSA-N 0 0 421.482 2.674 50 0 HFAARN C[C@H](c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1)[NH+](C)C ZINC000071752215 558909288 /nfs/dbraw/zinc/90/92/88/558909288.db2.gz LRJODEMHKCJZRS-OAHLLOKOSA-N 0 0 418.515 2.695 50 0 HFAARN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)c1cncc(Cl)c1 ZINC000071759452 558909756 /nfs/dbraw/zinc/90/97/56/558909756.db2.gz PRQFNNUEASGYKV-UHFFFAOYSA-N 0 0 400.866 2.967 50 0 HFAARN COc1cc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c(C(=O)N2CCCCC2)cc1OC ZINC000058214652 558912305 /nfs/dbraw/zinc/91/23/05/558912305.db2.gz MSDBIGXRNUGZEF-JKSUJKDBSA-N 0 0 412.490 2.806 50 0 HFAARN COc1cc(NC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)c(C(=O)N2CCCCC2)cc1OC ZINC000058214650 558912381 /nfs/dbraw/zinc/91/23/81/558912381.db2.gz MSDBIGXRNUGZEF-CVEARBPZSA-N 0 0 412.490 2.806 50 0 HFAARN CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000019541989 558914095 /nfs/dbraw/zinc/91/40/95/558914095.db2.gz QHIFUMJFVXIOCL-UHFFFAOYSA-N 0 0 410.879 2.543 50 0 HFAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccccc3nc2C(=O)N1C[C@H]1CCCO1 ZINC000033249193 558916803 /nfs/dbraw/zinc/91/68/03/558916803.db2.gz REZYIWVFDPZUGQ-HXOBKFHXSA-N 0 0 410.518 2.879 50 0 HFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(c4cnccn4)C3)c2)n1 ZINC000058304596 558917810 /nfs/dbraw/zinc/91/78/10/558917810.db2.gz XHBXZDPHWQRMTA-MRXNPFEDSA-N 0 0 420.473 2.694 50 0 HFAARN Cc1nccn1-c1cc(CNC(=O)Nc2ccc(CN3CCOC3=O)cc2)ccn1 ZINC000058305292 558918022 /nfs/dbraw/zinc/91/80/22/558918022.db2.gz DFDMPQHAGQRTKR-UHFFFAOYSA-N 0 0 406.446 2.850 50 0 HFAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1cccnc1 ZINC000033254671 558918641 /nfs/dbraw/zinc/91/86/41/558918641.db2.gz KVJVDVPPZDTHBF-UHFFFAOYSA-N 0 0 407.923 2.842 50 0 HFAARN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cc(C)ccc2C)C1 ZINC000033250844 558919398 /nfs/dbraw/zinc/91/93/98/558919398.db2.gz KNJFUBZYAGZKIW-BBVFFXRHSA-N 0 0 417.531 2.917 50 0 HFAARN Cc1oc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000058355246 558921267 /nfs/dbraw/zinc/92/12/67/558921267.db2.gz SZNKBKYAABPEOV-LBPRGKRZSA-N 0 0 402.476 2.740 50 0 HFAARN Cn1cc(-c2nc(-c3ccncc3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000033255974 558923666 /nfs/dbraw/zinc/92/36/66/558923666.db2.gz BXCQGIJJHLIVHM-UHFFFAOYSA-N 0 0 407.405 2.626 50 0 HFAARN COc1cc(Cc2nc(-c3cccc(C(=O)N4CCOCC4)c3)no2)cc(OC)c1 ZINC000033257894 558924614 /nfs/dbraw/zinc/92/46/14/558924614.db2.gz VVOTUQMRFWNUSG-UHFFFAOYSA-N 0 0 409.442 2.817 50 0 HFAARN Cc1c(N2CCC(C(=O)NC3CCCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258733 558925902 /nfs/dbraw/zinc/92/59/02/558925902.db2.gz MWTDYKIHRWELTL-UHFFFAOYSA-N 0 0 424.545 2.510 50 0 HFAARN CCn1c(=O)c(N2CCC(C(=O)NCc3cccc(C)c3)CC2)nc2cccnc21 ZINC000033258936 558925908 /nfs/dbraw/zinc/92/59/08/558925908.db2.gz HJRKULVSIFEPTB-UHFFFAOYSA-N 0 0 405.502 2.653 50 0 HFAARN CCOC(=O)CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C1CC1 ZINC000058434764 558926896 /nfs/dbraw/zinc/92/68/96/558926896.db2.gz AXWFSWRKWPQUNB-UHFFFAOYSA-N 0 0 401.459 2.987 50 0 HFAARN 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CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Br)cc2)C1=O ZINC000005279529 560561902 /nfs/dbraw/zinc/56/19/02/560561902.db2.gz PTBCJMODSNDTFB-SFHVURJKSA-N 0 0 402.248 2.951 50 0 HFAARN Cc1c(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000005340205 560567297 /nfs/dbraw/zinc/56/72/97/560567297.db2.gz RRDVJKKYYCYOGG-ZDUSSCGKSA-N 0 0 403.504 2.516 50 0 HFAARN CNC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000005362761 560571934 /nfs/dbraw/zinc/57/19/34/560571934.db2.gz CTCZOCLGANOSAE-UHFFFAOYSA-N 0 0 411.478 2.693 50 0 HFAARN COc1cc(-c2ccc(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc(OC)c1OC ZINC000005409355 560583780 /nfs/dbraw/zinc/58/37/80/560583780.db2.gz YWILQXCZEGVVCQ-UHFFFAOYSA-N 0 0 409.442 2.883 50 0 HFAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CCCCC3)C2=O)c(OC)c1 ZINC000005423431 560585336 /nfs/dbraw/zinc/58/53/36/560585336.db2.gz RAOMWDNQFRXRCZ-DEOSSOPVSA-N 0 0 424.497 2.954 50 0 HFAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CCC2 ZINC000002630716 560586391 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CCOc1cc(C(=O)Nc2nnc(C3=COCCO3)o2)cc(OCC)c1OCC ZINC000004264479 560603606 /nfs/dbraw/zinc/60/36/06/560603606.db2.gz PNXNIGYLRUGTTJ-UHFFFAOYSA-N 0 0 405.407 2.863 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000004288850 560604913 /nfs/dbraw/zinc/60/49/13/560604913.db2.gz WMBFVUXMPREYBF-QHCPKHFHSA-N 0 0 423.469 2.745 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000005523486 560605400 /nfs/dbraw/zinc/60/54/00/560605400.db2.gz JHRSAPRQONZIMX-SFHVURJKSA-N 0 0 416.499 2.948 50 0 HFAARN CN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000005536595 560606388 /nfs/dbraw/zinc/60/63/88/560606388.db2.gz RMPFJFGOPSBRFR-UHFFFAOYSA-N 0 0 413.854 2.698 50 0 HFAARN C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000005531601 560607107 /nfs/dbraw/zinc/60/71/07/560607107.db2.gz KGUGVAPIAMIIIA-CYBMUJFWSA-N 0 0 415.471 2.602 50 0 HFAARN C[C@@H](NC(=O)COC(=O)CSCC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000005571220 560623500 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CCOC(=O)C1=C(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)NC(=O)N[C@@H]1C ZINC000005652886 560637239 /nfs/dbraw/zinc/63/72/39/560637239.db2.gz RPNAXBYIUUNTEP-LLVKDONJSA-N 0 0 410.854 2.559 50 0 HFAARN COc1ccc(CNC(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1OC ZINC000008765333 560638443 /nfs/dbraw/zinc/63/84/43/560638443.db2.gz NROVRZJPDMGWHT-MRXNPFEDSA-N 0 0 401.415 2.639 50 0 biogenic HFAARN COc1ccc(CNC(=O)NC[C@H]2CN(c3ccc(F)cc3)C(=O)O2)cc1OC ZINC000008839369 560639741 /nfs/dbraw/zinc/63/97/41/560639741.db2.gz DLYLHGOCWFFGPH-INIZCTEOSA-N 0 0 403.410 2.668 50 0 HFAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)NCc2ccccc2Cl)c1=O ZINC000017316965 560708682 /nfs/dbraw/zinc/70/86/82/560708682.db2.gz LRXVOLMNCBEYOM-UHFFFAOYSA-N 0 0 413.909 2.886 50 0 HFAARN O=C(NC1CC1)[C@@H](OC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000017666787 560722191 /nfs/dbraw/zinc/72/21/91/560722191.db2.gz APSKHQBECPIRJV-UGKGYDQZSA-N 0 0 406.482 2.641 50 0 HFAARN O=C(NC1CC1)[C@H](OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000017666777 560722213 /nfs/dbraw/zinc/72/22/13/560722213.db2.gz APSKHQBECPIRJV-DENIHFKCSA-N 0 0 406.482 2.641 50 0 HFAARN C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)C1CC1 ZINC000017804777 560728646 /nfs/dbraw/zinc/72/86/46/560728646.db2.gz RHEVIUWYIFQNEY-HNNXBMFYSA-N 0 0 418.563 2.595 50 0 HFAARN CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000017822935 560728825 /nfs/dbraw/zinc/72/88/25/560728825.db2.gz GEFNMUYOMKHHDZ-GOSISDBHSA-N 0 0 400.500 2.722 50 0 HFAARN C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1(Cl)Cl ZINC000017907190 560730528 /nfs/dbraw/zinc/73/05/28/560730528.db2.gz OZYAKJAFHRSLIG-LBPRGKRZSA-N 0 0 417.767 2.818 50 0 HFAARN O=C(NC[C@@](O)(c1cccs1)C1CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000206700101 560730795 /nfs/dbraw/zinc/73/07/95/560730795.db2.gz ULMGCBXSYOFGLR-KRWDZBQOSA-N 0 0 401.456 2.772 50 0 HFAARN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1S(=O)(=O)C(F)F ZINC000206704928 560733111 /nfs/dbraw/zinc/73/31/11/560733111.db2.gz CEZXIGRMFJWTJY-MRXNPFEDSA-N 0 0 423.359 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/nfs/dbraw/zinc/87/95/89/568879589.db2.gz HAKOVQAKXRETSF-MRXNPFEDSA-N 0 0 411.505 2.542 50 0 HFAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)c1 ZINC000004046553 568880184 /nfs/dbraw/zinc/88/01/84/568880184.db2.gz XNKMFAWZXIOSGQ-PXNSSMCTSA-N 0 0 408.410 2.662 50 0 biogenic HFAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000003327044 568881295 /nfs/dbraw/zinc/88/12/95/568881295.db2.gz QOXICWPXAUVDQF-IFXJQAMLSA-N 0 0 402.454 2.609 50 0 HFAARN COCCn1ccc2c1cccc2OCC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000263587051 568882051 /nfs/dbraw/zinc/88/20/51/568882051.db2.gz BLSATVJSYDMCAC-UHFFFAOYSA-N 0 0 406.446 2.589 50 0 HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000263587245 568882545 /nfs/dbraw/zinc/88/25/45/568882545.db2.gz DVCRTJHJIKKCMZ-OALUTQOASA-N 0 0 417.469 2.757 50 0 HFAARN O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1nc(-c2ccccc2)cs1 ZINC000263588537 568884211 /nfs/dbraw/zinc/88/42/11/568884211.db2.gz VKSRKOKPPKTRES-INIZCTEOSA-N 0 0 424.482 2.573 50 0 HFAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCn4c5ccccc5nc43)cc2NC1=O ZINC000015730597 568884602 /nfs/dbraw/zinc/88/46/02/568884602.db2.gz IVHPXQSXJIJNJH-GFCCVEGCSA-N 0 0 414.512 2.926 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCCc2ccccc2)cc1 ZINC000015391193 568884994 /nfs/dbraw/zinc/88/49/94/568884994.db2.gz NPTGVGATJSQGTJ-IBGZPJMESA-N 0 0 416.543 2.987 50 0 HFAARN COc1cc(OC)c(C(=O)OCc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1OC ZINC000003352116 568886030 /nfs/dbraw/zinc/88/60/30/568886030.db2.gz ZRXIISHMSHPJHD-UHFFFAOYSA-N 0 0 404.444 2.984 50 0 HFAARN C[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ccccc1-n1cccn1 ZINC000670439677 568887940 /nfs/dbraw/zinc/88/79/40/568887940.db2.gz BJVDDPSQCFBNGP-KRWDZBQOSA-N 0 0 403.486 2.997 50 0 HFAARN Cc1cc(=O)oc2cc(OC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)ccc12 ZINC000003362410 568888361 /nfs/dbraw/zinc/88/83/61/568888361.db2.gz FYGQLFYNUDATTF-AWEZNQCLSA-N 0 0 421.405 2.831 50 0 HFAARN O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc(Br)cc1F ZINC000003369702 568889768 /nfs/dbraw/zinc/88/97/68/568889768.db2.gz MQRPRFQKPBTYCT-OAHLLOKOSA-N 0 0 420.238 2.690 50 0 HFAARN O=C(COC(=O)c1ccccc1I)NCc1ccc(F)cc1 ZINC000003391163 568894353 /nfs/dbraw/zinc/89/43/53/568894353.db2.gz ISKANFPYCGSHPK-UHFFFAOYSA-N 0 0 413.186 2.904 50 0 HFAARN O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000003403740 568896942 /nfs/dbraw/zinc/89/69/42/568896942.db2.gz FFWYSDHZNOFJBN-UHFFFAOYSA-N 0 0 416.474 2.969 50 0 HFAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCc1c[nH]c3ccccc13)C2=O ZINC000003410443 568897846 /nfs/dbraw/zinc/89/78/46/568897846.db2.gz PJFOYKGGNUSIBH-CMJOXMDJSA-N 0 0 410.518 2.963 50 0 HFAARN COc1cc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC ZINC000003410170 568897952 /nfs/dbraw/zinc/89/79/52/568897952.db2.gz URUTYGJATUHNQE-UHFFFAOYSA-N 0 0 403.826 2.658 50 0 HFAARN COCCn1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)cc2OC)c1C ZINC000003411966 568898259 /nfs/dbraw/zinc/89/82/59/568898259.db2.gz LEBQTNGXUVYZBM-UHFFFAOYSA-N 0 0 405.447 2.817 50 0 HFAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003419433 568899447 /nfs/dbraw/zinc/89/94/47/568899447.db2.gz ZASMUQAGFWPAJO-INIZCTEOSA-N 0 0 424.356 2.537 50 0 HFAARN COc1ccc(C(=O)N2CCC(C(=O)NCCc3cn4ccsc4n3)CC2)cc1 ZINC000670443497 568899666 /nfs/dbraw/zinc/89/96/66/568899666.db2.gz SRLGCMYEWJIRTF-UHFFFAOYSA-N 0 0 412.515 2.616 50 0 HFAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000003426450 568900610 /nfs/dbraw/zinc/90/06/10/568900610.db2.gz MHGBQHVOWZEXKW-CYBMUJFWSA-N 0 0 419.553 2.754 50 0 HFAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000003434176 568902470 /nfs/dbraw/zinc/90/24/70/568902470.db2.gz NZYADAIQLWOBGQ-UHFFFAOYSA-N 0 0 422.890 2.920 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)n2N)cc1 ZINC000003439585 568903372 /nfs/dbraw/zinc/90/33/72/568903372.db2.gz APQGADYOXUXCQD-GFCCVEGCSA-N 0 0 401.467 2.776 50 0 HFAARN CC(=O)c1ccc(OCCCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003446996 568904746 /nfs/dbraw/zinc/90/47/46/568904746.db2.gz KHGQKVIMVYXLBH-AWEZNQCLSA-N 0 0 404.488 2.573 50 0 HFAARN Cc1c(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)c(=O)n(-c2ccccc2)n1C ZINC000003451577 568905795 /nfs/dbraw/zinc/90/57/95/568905795.db2.gz CKKGFSOIIRZZMG-UHFFFAOYSA-N 0 0 414.849 2.516 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2CCCO)c1C ZINC000003454956 568906377 /nfs/dbraw/zinc/90/63/77/568906377.db2.gz PHYDQMYCBNKFKR-UHFFFAOYSA-N 0 0 413.499 2.901 50 0 HFAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000003464453 568907117 /nfs/dbraw/zinc/90/71/17/568907117.db2.gz LIXPUWVIQZYYJE-FQEVSTJZSA-N 0 0 421.375 2.511 50 0 HFAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@@H](CC(=O)Nc3ccccn3)CS2)c1 ZINC000012663935 568907192 /nfs/dbraw/zinc/90/71/92/568907192.db2.gz HURDNASNRQGZAY-HNNXBMFYSA-N 0 0 418.482 2.961 50 0 HFAARN COc1ccccc1-n1nnnc1SCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000012689582 568908055 /nfs/dbraw/zinc/90/80/55/568908055.db2.gz LRYHNMGFBZBIOR-UHFFFAOYSA-N 0 0 412.500 2.750 50 0 HFAARN COC(=O)c1cc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c(F)cc1F ZINC000031027942 568909092 /nfs/dbraw/zinc/90/90/92/568909092.db2.gz IEZPMNCJWKBTTQ-SECBINFHSA-N 0 0 413.402 2.747 50 0 HFAARN CCOC(=O)c1[nH]c2ccc(CCO)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000001283122 568911055 /nfs/dbraw/zinc/91/10/55/568911055.db2.gz JRAWSQYQTNQBOL-UHFFFAOYSA-N 0 0 406.438 2.718 50 0 HFAARN CCOCCCn1c(=O)c2ccccc2nc1SCn1nnc2ccccc2c1=O ZINC000003520031 568911940 /nfs/dbraw/zinc/91/19/40/568911940.db2.gz TVGAXEFYYQMVEU-UHFFFAOYSA-N 0 0 423.498 2.678 50 0 HFAARN C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003520980 568912078 /nfs/dbraw/zinc/91/20/78/568912078.db2.gz RYYGOMAMDXZUOP-SECBINFHSA-N 0 0 417.270 2.825 50 0 HFAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cc(F)ccc4F)c3CO2)cc1 ZINC000263619102 568912128 /nfs/dbraw/zinc/91/21/28/568912128.db2.gz WYHRGGLBQSZPGS-GOSISDBHSA-N 0 0 400.385 2.766 50 0 HFAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 ZINC000263618074 568912473 /nfs/dbraw/zinc/91/24/73/568912473.db2.gz RCXWACVBCNIPKE-UHFFFAOYSA-N 0 0 418.501 2.529 50 0 HFAARN CCCCn1c(N)c(N(CC)C(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O ZINC000003528695 568912671 /nfs/dbraw/zinc/91/26/71/568912671.db2.gz FZUVETCCQYRQAA-UHFFFAOYSA-N 0 0 413.305 2.821 50 0 HFAARN O=c1ccc(C(F)(F)F)cn1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000003533768 568913203 /nfs/dbraw/zinc/91/32/03/568913203.db2.gz PPDWQRFEDNTTNH-UHFFFAOYSA-N 0 0 400.154 2.686 50 0 HFAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)OCc1ccccc1 ZINC000003549471 568914555 /nfs/dbraw/zinc/91/45/55/568914555.db2.gz YESINSCXVBMIRO-OAQYLSRUSA-N 0 0 407.470 2.864 50 0 HFAARN CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 ZINC000003557963 568915441 /nfs/dbraw/zinc/91/54/41/568915441.db2.gz GADLMJZOOUQZJM-HNNXBMFYSA-N 0 0 412.427 2.754 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C ZINC000004329096 568915583 /nfs/dbraw/zinc/91/55/83/568915583.db2.gz UPOZZEHJSZPYKG-UHFFFAOYSA-N 0 0 419.865 2.741 50 0 HFAARN Cc1cc(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)ccc1Br ZINC000003563001 568916054 /nfs/dbraw/zinc/91/60/54/568916054.db2.gz KBMBHWSYPFTZPY-MRXNPFEDSA-N 0 0 416.275 2.859 50 0 HFAARN CCCCN(C(=O)c1ccc(OC(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003565653 568916125 /nfs/dbraw/zinc/91/61/25/568916125.db2.gz JZXUJYSVVHAVKD-UHFFFAOYSA-N 0 0 424.448 2.823 50 0 HFAARN CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000004143620 568916148 /nfs/dbraw/zinc/91/61/48/568916148.db2.gz GNHMVTNVKQLOBK-AXHMDWHKSA-N 0 0 404.850 2.535 50 0 HFAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1c[nH]c2ccccc12 ZINC000003571348 568916524 /nfs/dbraw/zinc/91/65/24/568916524.db2.gz KKGXSBNQRJWIDS-UHFFFAOYSA-N 0 0 412.467 2.992 50 0 HFAARN COc1cc(N[C@@H]2CCCN(C(=O)c3csc(NC(C)=O)n3)C2)cc(OC)c1 ZINC000083815593 568917686 /nfs/dbraw/zinc/91/76/86/568917686.db2.gz SQLFWXVHQRCLLY-CYBMUJFWSA-N 0 0 404.492 2.835 50 0 HFAARN C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000004164348 568918604 /nfs/dbraw/zinc/91/86/04/568918604.db2.gz MIRQJFAKYUHEIY-LBPRGKRZSA-N 0 0 403.508 2.565 50 0 HFAARN COc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165513 568918721 /nfs/dbraw/zinc/91/87/21/568918721.db2.gz ONSSNNWXBABZSA-MRXNPFEDSA-N 0 0 403.456 2.670 50 0 HFAARN CC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 ZINC000004165829 568918933 /nfs/dbraw/zinc/91/89/33/568918933.db2.gz URWFXQIMZXENON-UHFFFAOYSA-N 0 0 401.426 2.732 50 0 HFAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCc1ccc(F)cc1 ZINC000004165921 568918951 /nfs/dbraw/zinc/91/89/51/568918951.db2.gz CPMKVTQYYWJAIJ-UHFFFAOYSA-N 0 0 411.824 2.691 50 0 HFAARN CCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 ZINC000003601059 568919259 /nfs/dbraw/zinc/91/92/59/568919259.db2.gz KUKSSSKPXUKJSK-UHFFFAOYSA-N 0 0 409.577 2.992 50 0 HFAARN Cc1ccc(NC(=O)CCNC(=O)COc2ccc(F)cc2Br)nc1 ZINC000058440986 568919439 /nfs/dbraw/zinc/91/94/39/568919439.db2.gz XCJBWQWQPIXRPN-UHFFFAOYSA-N 0 0 410.243 2.815 50 0 HFAARN COc1ccc(CN2CCn3nc(C(=O)Nc4ccc(OC)cc4)cc3C2=O)cc1 ZINC000001386378 568922579 /nfs/dbraw/zinc/92/25/79/568922579.db2.gz QBUGTQWPDRMXIA-UHFFFAOYSA-N 0 0 406.442 2.809 50 0 HFAARN COc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1F ZINC000012732936 568923082 /nfs/dbraw/zinc/92/30/82/568923082.db2.gz LURWISJMTHTPBA-UHFFFAOYSA-N 0 0 406.479 2.939 50 0 HFAARN COCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1 ZINC000003657256 568923165 /nfs/dbraw/zinc/92/31/65/568923165.db2.gz OWDRKYIEOMMTCJ-WOJBJXKFSA-N 0 0 400.450 2.515 50 0 HFAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCc2ccccn2)CC1 ZINC000012733430 568923809 /nfs/dbraw/zinc/92/38/09/568923809.db2.gz XDFNKEUXCRDJQZ-UHFFFAOYSA-N 0 0 415.437 2.529 50 0 HFAARN O=C(COc1ccccc1)NCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000031394569 568925328 /nfs/dbraw/zinc/92/53/28/568925328.db2.gz BQVOGCXODDXNSN-UHFFFAOYSA-N 0 0 404.470 2.675 50 0 HFAARN COCCn1c(N)c(N(Cc2ccccc2)Cc2ccccc2Cl)c(=O)[nH]c1=O ZINC000031559324 568928070 /nfs/dbraw/zinc/92/80/70/568928070.db2.gz SQEVKFUWJLEQCH-UHFFFAOYSA-N 0 0 414.893 2.625 50 0 HFAARN CCOC(=O)c1sc2nc(C)n(C[C@@H](O)COc3ccc(F)cc3)c(=O)c2c1C ZINC000031560703 568928103 /nfs/dbraw/zinc/92/81/03/568928103.db2.gz TVOPKVJINLCBMW-CQSZACIVSA-N 0 0 420.462 2.831 50 0 HFAARN COc1ccc(C[C@@H](CO)CNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1O ZINC000083967291 568928927 /nfs/dbraw/zinc/92/89/27/568928927.db2.gz GTZGPWVDMCNQEU-GXTWGEPZSA-N 0 0 411.857 2.928 50 0 HFAARN CCCCc1noc(CSc2nc3ccccc3c(=O)n2CCC(=O)OC)n1 ZINC000012741619 568929730 /nfs/dbraw/zinc/92/97/30/568929730.db2.gz KEPHKXFXWBHIGD-UHFFFAOYSA-N 0 0 402.476 2.978 50 0 HFAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000012743694 568930192 /nfs/dbraw/zinc/93/01/92/568930192.db2.gz WOKKGUXPCBEUTP-CYBMUJFWSA-N 0 0 414.333 2.891 50 0 HFAARN CN(CCC(=O)NCCc1c[nH]c2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012743279 568930212 /nfs/dbraw/zinc/93/02/12/568930212.db2.gz VWQIZFCSVBNPRL-UHFFFAOYSA-N 0 0 403.486 2.585 50 0 HFAARN 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50 0 HFAARN Cc1ccccc1CNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000015858313 569014756 /nfs/dbraw/zinc/01/47/56/569014756.db2.gz AWKJOXPWUXWHDI-CYBMUJFWSA-N 0 0 406.891 2.891 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCCCC3)CC2)cc1 ZINC000035267025 569015663 /nfs/dbraw/zinc/01/56/63/569015663.db2.gz XCEGACXCOVHEOR-SFHVURJKSA-N 0 0 407.580 2.529 50 0 HFAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000026121712 569017507 /nfs/dbraw/zinc/01/75/07/569017507.db2.gz HKCYPWIOWJVLBI-UHFFFAOYSA-N 0 0 424.501 2.915 50 0 HFAARN Cc1nnc(NC(=O)CSc2nnc(NC(=O)NC3CCCCC3)s2)s1 ZINC000015882701 569019159 /nfs/dbraw/zinc/01/91/59/569019159.db2.gz HVROVURBRMFVNN-UHFFFAOYSA-N 0 0 413.554 2.883 50 0 HFAARN CCCn1nc(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)c2ccccc2c1=O ZINC000012887206 569019576 /nfs/dbraw/zinc/01/95/76/569019576.db2.gz PQUXDIRNTKDKST-UHFFFAOYSA-N 0 0 409.442 2.532 50 0 HFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1F ZINC000015884234 569019586 /nfs/dbraw/zinc/01/95/86/569019586.db2.gz WNVVLHVRIUYZCQ-UHFFFAOYSA-N 0 0 417.462 2.957 50 0 HFAARN CCCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000012889000 569019816 /nfs/dbraw/zinc/01/98/16/569019816.db2.gz HIKRKCCDOYIOGS-UHFFFAOYSA-N 0 0 418.563 2.904 50 0 HFAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1=O ZINC000012892375 569020010 /nfs/dbraw/zinc/02/00/10/569020010.db2.gz WTHUXVXQFDPZHM-FUHWJXTLSA-N 0 0 411.527 2.642 50 0 HFAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1cccc(Br)c1 ZINC000012890749 569020025 /nfs/dbraw/zinc/02/00/25/569020025.db2.gz YPZYQCMRHANOOI-IBGZPJMESA-N 0 0 414.259 2.997 50 0 HFAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC(=O)Nc2ccccc21 ZINC000015912318 569020908 /nfs/dbraw/zinc/02/09/08/569020908.db2.gz NQYBMXUQXMUTQE-UHFFFAOYSA-N 0 0 413.499 2.850 50 0 HFAARN COC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 ZINC000012906198 569021231 /nfs/dbraw/zinc/02/12/31/569021231.db2.gz ZFGFBZLFZCDXPW-UHFFFAOYSA-N 0 0 408.501 2.962 50 0 HFAARN C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O ZINC000012908610 569021587 /nfs/dbraw/zinc/02/15/87/569021587.db2.gz HFKAEXVVMQSCKH-QMMMGPOBSA-N 0 0 408.896 2.595 50 0 HFAARN Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(c4ccccn4)CC3)o2)s1 ZINC000012915382 569022503 /nfs/dbraw/zinc/02/25/03/569022503.db2.gz DJVNIHXPYYXHFH-UHFFFAOYSA-N 0 0 416.532 2.646 50 0 HFAARN COc1cccc(-n2c(SCCN3C(=O)CCC3=O)nc3ccccc3c2=O)c1 ZINC000012915536 569022527 /nfs/dbraw/zinc/02/25/27/569022527.db2.gz KMBNJVMHMVAEMP-UHFFFAOYSA-N 0 0 409.467 2.635 50 0 HFAARN Cc1cc(C)cc(-n2ncc3c2ncn(C[C@H](O)COc2ccccc2F)c3=O)c1 ZINC000012921784 569023110 /nfs/dbraw/zinc/02/31/10/569023110.db2.gz JTKCXAKBZCIGTM-KRWDZBQOSA-N 0 0 408.433 2.778 50 0 HFAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCOCC2)c2ccccc23)c(C)c1 ZINC000015943856 569024432 /nfs/dbraw/zinc/02/44/32/569024432.db2.gz YZIGAAWZOHLMHX-UHFFFAOYSA-N 0 0 423.498 2.564 50 0 HFAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(C)=O)c(OC)c1 ZINC000015953783 569024614 /nfs/dbraw/zinc/02/46/14/569024614.db2.gz NPCAMNVWKAEMHK-CIAFKFPVSA-N 0 0 418.449 2.808 50 0 biogenic HFAARN O=C1Nc2ccccc2[C@@]12N[C@@H](c1ccccc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958489 569024732 /nfs/dbraw/zinc/02/47/32/569024732.db2.gz KQQZDUAZOJYPHG-YGWSKSRPSA-N 0 0 423.472 2.980 50 0 biogenic HFAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(Cl)c1 ZINC000012931551 569024760 /nfs/dbraw/zinc/02/47/60/569024760.db2.gz FTLCSWOONDPEPF-SFHVURJKSA-N 0 0 419.934 2.762 50 0 HFAARN CSc1ncccc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000575414218 569025110 /nfs/dbraw/zinc/02/51/10/569025110.db2.gz WOSKGDYLWNGTDY-UHFFFAOYSA-N 0 0 418.544 2.609 50 0 HFAARN CC(=O)Nc1ccc(F)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 ZINC000012933075 569025233 /nfs/dbraw/zinc/02/52/33/569025233.db2.gz RUXCSNYACYPYRJ-UHFFFAOYSA-N 0 0 413.858 2.940 50 0 HFAARN COc1ccccc1N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000016089031 569028697 /nfs/dbraw/zinc/02/86/97/569028697.db2.gz RLKGVLWYMATHMM-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/06/44/29/569064429.db2.gz BKGNFLWMPVHIJB-UHFFFAOYSA-N 0 0 419.503 2.916 50 0 HFAARN COCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000006552408 569065333 /nfs/dbraw/zinc/06/53/33/569065333.db2.gz OZDJDDIMJAYNKD-MRXNPFEDSA-N 0 0 423.469 2.815 50 0 HFAARN CCC[C@@H](C)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000006560108 569065731 /nfs/dbraw/zinc/06/57/31/569065731.db2.gz UWVPDWCXSPQCHT-CYBMUJFWSA-N 0 0 415.467 2.525 50 0 HFAARN CCOC(=O)N1CCN(c2nc3nn(C)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929786 569066728 /nfs/dbraw/zinc/06/67/28/569066728.db2.gz YTLBYOHHKAIKLR-UHFFFAOYSA-N 0 0 415.885 2.544 50 0 HFAARN [NH3+][C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn([C@H]4C[C@H]4F)c3c2Cl)CC12CC2 ZINC000026983097 569066729 /nfs/dbraw/zinc/06/67/29/569066729.db2.gz PNUZDKCDAWUEGK-WXHSDQCUSA-N 0 0 409.820 2.703 50 0 HFAARN CCc1ccc(S(=O)(=O)N2CCc3c(c(-c4nc(C5CC5)no4)nn3C)C2)cc1 ZINC000064566506 569067112 /nfs/dbraw/zinc/06/71/12/569067112.db2.gz LSSFBJFDVULQHA-UHFFFAOYSA-N 0 0 413.503 2.657 50 0 HFAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000035946804 569067260 /nfs/dbraw/zinc/06/72/60/569067260.db2.gz VORATXSTMFLFKA-GOSISDBHSA-N 0 0 401.438 2.981 50 0 HFAARN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccn1 ZINC000064580482 569068539 /nfs/dbraw/zinc/06/85/39/569068539.db2.gz GYCUCGUFYGBKOQ-UHFFFAOYSA-N 0 0 424.526 2.752 50 0 HFAARN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NC3CC3)C2)[C@H](c2ccccc2)NC1=O ZINC000035964316 569069039 /nfs/dbraw/zinc/06/90/39/569069039.db2.gz XISOMIJWUFEZQH-XLIONFOSSA-N 0 0 410.518 2.562 50 0 HFAARN Cc1noc(C)c1CNC(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000089529370 569069841 /nfs/dbraw/zinc/06/98/41/569069841.db2.gz PWCDATMWBITGMP-UHFFFAOYSA-N 0 0 402.270 2.779 50 0 HFAARN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000030903938 569070174 /nfs/dbraw/zinc/07/01/74/569070174.db2.gz GSBKAWJCUVTSFP-LJQANCHMSA-N 0 0 403.438 2.629 50 0 biogenic HFAARN CN(C)C(=O)CSc1ccccc1C(=O)OCCCn1c(=O)[nH]c2ccccc21 ZINC000006607514 569071662 /nfs/dbraw/zinc/07/16/62/569071662.db2.gz YECLSXACZBYBPB-UHFFFAOYSA-N 0 0 413.499 2.757 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(CCc2ccccc2)C1=O)C3 ZINC000036369884 569071721 /nfs/dbraw/zinc/07/17/21/569071721.db2.gz QQWVMJIMADSACO-JOCHJYFZSA-N 0 0 403.482 2.905 50 0 biogenic HFAARN COc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1OC ZINC000006608581 569071895 /nfs/dbraw/zinc/07/18/95/569071895.db2.gz KJRXTDITRWGAKD-UHFFFAOYSA-N 0 0 420.849 2.611 50 0 HFAARN CCOC(=O)[C@@](NC(=O)c1ccncc1)(OCc1ccc(OC)cc1)C(F)(F)F ZINC000002050057 569072142 /nfs/dbraw/zinc/07/21/42/569072142.db2.gz UGZFKIVMLGTEFF-GOSISDBHSA-N 0 0 412.364 2.859 50 0 HFAARN COc1cccc(-c2noc(CCCC(=O)N3CCC[C@]4(CNC(=O)O4)CC3)n2)c1 ZINC000426424210 569072860 /nfs/dbraw/zinc/07/28/60/569072860.db2.gz HPNAMDNWOXBYPO-OAQYLSRUSA-N 0 0 414.462 2.559 50 0 HFAARN Cc1ccc([C@@H](CC(=O)N2CCC3(CC2)N=C(N(C)C)NC3=O)c2ccccc2)cc1 ZINC000426628776 569073657 /nfs/dbraw/zinc/07/36/57/569073657.db2.gz ONOQMLSTJBMZIF-NRFANRHFSA-N 0 0 418.541 2.926 50 0 HFAARN CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000006609878 569073713 /nfs/dbraw/zinc/07/37/13/569073713.db2.gz SSBLXEDRCWIMKJ-LJQANCHMSA-N 0 0 422.934 2.564 50 0 HFAARN O=C(c1ccc(-c2ccccc2F)o1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000006610519 569074159 /nfs/dbraw/zinc/07/41/59/569074159.db2.gz SFMPAPZDTREMBI-GJZGRUSLSA-N 0 0 407.463 2.894 50 0 HFAARN CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000006613086 569074273 /nfs/dbraw/zinc/07/42/73/569074273.db2.gz QKGYYNIELZJLTC-UHFFFAOYSA-N 0 0 419.503 2.916 50 0 HFAARN CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991260 569074648 /nfs/dbraw/zinc/07/46/48/569074648.db2.gz XRRHDQYQFRRWST-HXUWFJFHSA-N 0 0 401.507 2.656 50 0 HFAARN COc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1S(N)(=O)=O ZINC000006623274 569075052 /nfs/dbraw/zinc/07/50/52/569075052.db2.gz MXJBWNRFMSAWQA-UHFFFAOYSA-N 0 0 412.533 2.686 50 0 HFAARN CCOCCCN(C(=O)COC)[C@H](C)C(=O)c1c(C)c(C(=O)OCC)n(CC)c1C ZINC000036004984 569075920 /nfs/dbraw/zinc/07/59/20/569075920.db2.gz RWFVSMOHWVVDKV-QGZVFWFLSA-N 0 0 424.538 2.774 50 0 HFAARN CCN(CC)C(=O)c1cc(NC(C)=O)ccc1N1CCCN(C(=O)C2CC2)CC1 ZINC000036005822 569075963 /nfs/dbraw/zinc/07/59/63/569075963.db2.gz VLTOIPKKZODXRJ-UHFFFAOYSA-N 0 0 400.523 2.576 50 0 HFAARN CCNC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000036006262 569076011 /nfs/dbraw/zinc/07/60/11/569076011.db2.gz ZCSNPZUPKYLQOR-UHFFFAOYSA-N 0 0 409.469 2.684 50 0 HFAARN COCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)NC(C)C ZINC000036012705 569077317 /nfs/dbraw/zinc/07/73/17/569077317.db2.gz QHAQYUYRQXYLQL-UHFFFAOYSA-N 0 0 407.467 2.934 50 0 HFAARN COc1ccc(C(=O)[C@@H]2[C@H]3[C@@H]4CO[C@@H](O4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N32)cc1 ZINC000006646113 569079231 /nfs/dbraw/zinc/07/92/31/569079231.db2.gz ANYSXNGUTHIOFQ-OVBHTQRZSA-N 0 0 403.434 2.719 50 0 HFAARN Cc1cc(O[C@H](C)C(=O)NCCCN2CCCC2=O)c2c(C)c(C)c(=O)oc2c1 ZINC000006660021 569084004 /nfs/dbraw/zinc/08/40/04/569084004.db2.gz SFDBMMOKUDPHKP-MRXNPFEDSA-N 0 0 400.475 2.614 50 0 HFAARN Cc1c(C)c2cc(Cl)c(OCC(=O)NCCCN3CCCC3=O)cc2oc1=O ZINC000006659812 569084074 /nfs/dbraw/zinc/08/40/74/569084074.db2.gz QCUOERNWITXGBL-UHFFFAOYSA-N 0 0 406.866 2.571 50 0 HFAARN CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCN3CCCC3=O)c12 ZINC000006660206 569084146 /nfs/dbraw/zinc/08/41/46/569084146.db2.gz SIGMKEUGKUWWQE-OAHLLOKOSA-N 0 0 400.475 2.560 50 0 HFAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 ZINC000036054735 569084392 /nfs/dbraw/zinc/08/43/92/569084392.db2.gz XIOJFKKHRJCEBG-PMACEKPBSA-N 0 0 402.441 2.973 50 0 HFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 ZINC000036054732 569084444 /nfs/dbraw/zinc/08/44/44/569084444.db2.gz XIOJFKKHRJCEBG-WOJBJXKFSA-N 0 0 402.441 2.973 50 0 HFAARN COc1cccc(/C=C2\SC(=O)N(CCC(=O)N3CCCC[C@H]3CCO)C2=O)c1 ZINC000006660899 569085087 /nfs/dbraw/zinc/08/50/87/569085087.db2.gz GKOFHFMTSKZJMT-IYWFSZBXSA-N 0 0 418.515 2.885 50 0 HFAARN CC(C)CN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CC1 ZINC000036061704 569085310 /nfs/dbraw/zinc/08/53/10/569085310.db2.gz QOPICMLRXJQWEQ-UHFFFAOYSA-N 0 0 421.545 2.687 50 0 HFAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000006674770 569087407 /nfs/dbraw/zinc/08/74/07/569087407.db2.gz HQPKUCPWEXCYDN-UHFFFAOYSA-N 0 0 401.536 2.846 50 0 HFAARN CCN(CC)C(=O)c1nn(-c2ccccc2F)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000036085404 569087681 /nfs/dbraw/zinc/08/76/81/569087681.db2.gz OHFGXYDQWUJKRL-OAHLLOKOSA-N 0 0 410.449 2.625 50 0 HFAARN Cc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3C)c2=O)cc1C ZINC000036086383 569087949 /nfs/dbraw/zinc/08/79/49/569087949.db2.gz GSLAKYIWOWLRKA-UHFFFAOYSA-N 0 0 418.497 2.604 50 0 HFAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036086963 569088274 /nfs/dbraw/zinc/08/82/74/569088274.db2.gz ZWFKWIRLHSNCKA-QGZVFWFLSA-N 0 0 406.486 2.588 50 0 HFAARN CCN(CC)C(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036086953 569088280 /nfs/dbraw/zinc/08/82/80/569088280.db2.gz WAXRXFWHTYKZRH-UHFFFAOYSA-N 0 0 406.486 2.541 50 0 HFAARN Cc1ccccc1Cn1c(=O)c(C(=O)NC2CC2)nn(-c2ccc(C(C)C)cc2)c1=O ZINC000036088025 569088355 /nfs/dbraw/zinc/08/83/55/569088355.db2.gz NMMWESKIFBPUAC-UHFFFAOYSA-N 0 0 418.497 2.767 50 0 HFAARN Cc1ccc(-n2nc(C(=O)NCC(C)C)c(=O)n([C@H](C)c3ccccc3)c2=O)cc1F ZINC000036088964 569088854 /nfs/dbraw/zinc/08/88/54/569088854.db2.gz QEMLWPJYDLIQOL-MRXNPFEDSA-N 0 0 424.476 2.837 50 0 HFAARN CCNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2ccc(C)cc2F)c1=O ZINC000064759400 569090682 /nfs/dbraw/zinc/09/06/82/569090682.db2.gz KHKFXLOXSNDSPX-UHFFFAOYSA-N 0 0 408.433 2.746 50 0 HFAARN CSc1ccc(CCNC(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)cc1 ZINC000064775928 569093720 /nfs/dbraw/zinc/09/37/20/569093720.db2.gz OGVGWHMKAGAHDY-UHFFFAOYSA-N 0 0 406.511 2.969 50 0 HFAARN CC(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000064789805 569094644 /nfs/dbraw/zinc/09/46/44/569094644.db2.gz ZHMGWAYCACBMRJ-UHFFFAOYSA-N 0 0 415.471 2.744 50 0 HFAARN Cn1c2c3n(c(-c4ccc(Br)cc4)c2c(=O)n(C)c1=O)C(C)(C)COC3 ZINC000064789568 569094773 /nfs/dbraw/zinc/09/47/73/569094773.db2.gz ZCLIZBJJRUXMDN-UHFFFAOYSA-N 0 0 418.291 2.734 50 0 HFAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)C(C)(C)C)c1 ZINC000006722888 569099851 /nfs/dbraw/zinc/09/98/51/569099851.db2.gz SSLUHZATYILINB-SFHVURJKSA-N 0 0 405.539 2.891 50 0 HFAARN COc1ccc(CNC(=O)CN2c3cc(-c4ccc(OC)cc4)nn3CCC2=O)cc1 ZINC000064817796 569101095 /nfs/dbraw/zinc/10/10/95/569101095.db2.gz AJAQTYIFYDGAGU-UHFFFAOYSA-N 0 0 420.469 2.620 50 0 HFAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036157452 569101986 /nfs/dbraw/zinc/10/19/86/569101986.db2.gz CCLMIGZHDBGXNP-FQEVSTJZSA-N 0 0 411.502 2.799 50 0 HFAARN CCC(=O)N1c2ccc(S(=O)(=O)NCCN(C)Cc3ccccc3)cc2C[C@@H]1C ZINC000006730317 569102927 /nfs/dbraw/zinc/10/29/27/569102927.db2.gz RFWNPUAAGUNBJG-KRWDZBQOSA-N 0 0 415.559 2.785 50 0 HFAARN Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3cccc4nsnc43)no2)cc1 ZINC000064841269 569105429 /nfs/dbraw/zinc/10/54/29/569105429.db2.gz ZULJUZAIJSVOBS-UHFFFAOYSA-N 0 0 415.500 2.913 50 0 HFAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3cn(C)cn3)CC1)N2 ZINC000064848151 569107480 /nfs/dbraw/zinc/10/74/80/569107480.db2.gz GUXGWRGWMDWYLY-UHFFFAOYSA-N 0 0 411.531 2.933 50 0 biogenic HFAARN COc1ccc(-n2nnnc2C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000006743099 569107882 /nfs/dbraw/zinc/10/78/82/569107882.db2.gz NTDAHTGUMRCYTH-UHFFFAOYSA-N 0 0 413.503 2.548 50 0 HFAARN COC(=O)c1cc(NC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)cc(C(=O)OC)c1 ZINC000006748353 569108507 /nfs/dbraw/zinc/10/85/07/569108507.db2.gz VFKVREGWNAIXPN-UHFFFAOYSA-N 0 0 409.398 2.902 50 0 HFAARN CC(C)C(=O)N1CCC([C@@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCCC2)CC1 ZINC000036208660 569109906 /nfs/dbraw/zinc/10/99/06/569109906.db2.gz RLXREFSPRCKSGL-HXUWFJFHSA-N 0 0 417.525 2.831 50 0 HFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2CC)c1N ZINC000006753923 569110777 /nfs/dbraw/zinc/11/07/77/569110777.db2.gz VEQSKMNNYWAETN-UHFFFAOYSA-N 0 0 408.462 2.712 50 0 HFAARN CCC(=O)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@H](C)C(C)C)CC1 ZINC000036210535 569111105 /nfs/dbraw/zinc/11/11/05/569111105.db2.gz CBFSQJUHDCMROX-IIBYNOLFSA-N 0 0 417.550 2.603 50 0 HFAARN Cc1ccc(N2C[C@H](c3nc(Cn4c(C)nc5ccccc5c4=O)no3)CC2=O)cc1 ZINC000064867408 569111166 /nfs/dbraw/zinc/11/11/66/569111166.db2.gz OPKIHTQRCFUJOK-MRXNPFEDSA-N 0 0 415.453 2.965 50 0 HFAARN CCC(=O)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](C)C(C)C)CC1 ZINC000036210788 569111182 /nfs/dbraw/zinc/11/11/82/569111182.db2.gz XLUBGBLOOONKFY-UWJYYQICSA-N 0 0 401.551 2.903 50 0 HFAARN CCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036212076 569112200 /nfs/dbraw/zinc/11/22/00/569112200.db2.gz UCZOTPKEQQFYRD-OAQYLSRUSA-N 0 0 401.551 2.904 50 0 HFAARN Cc1ccc(C(=O)N[C@@H](C(=O)NC2CC2)C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036213265 569112577 /nfs/dbraw/zinc/11/25/77/569112577.db2.gz FHPKSRLZXQWBRK-OAQYLSRUSA-N 0 0 411.546 2.801 50 0 HFAARN CCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)N[C@H](C)C(C)C)CC1 ZINC000036214202 569112654 /nfs/dbraw/zinc/11/26/54/569112654.db2.gz SOKHDLMDEOTKMS-XLIONFOSSA-N 0 0 416.566 2.696 50 0 HFAARN CCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](C)C(C)C)CC1 ZINC000036214196 569112658 /nfs/dbraw/zinc/11/26/58/569112658.db2.gz SOKHDLMDEOTKMS-PXNSSMCTSA-N 0 0 416.566 2.696 50 0 HFAARN Cc1cc(C)[nH]c(=NNC(=O)c2c(F)ccc(S(=O)(=O)C3CCCC3)c2F)n1 ZINC000253417731 569112718 /nfs/dbraw/zinc/11/27/18/569112718.db2.gz IFTBISJUMLAFFJ-UHFFFAOYSA-N 0 0 410.446 2.845 50 0 HFAARN CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3Cc2ccc(Cl)cc2)CO1 ZINC000006758933 569113029 /nfs/dbraw/zinc/11/30/29/569113029.db2.gz IEJGNNXZCNPAAF-UHFFFAOYSA-N 0 0 420.918 2.770 50 0 HFAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Br)cc1 ZINC000036227686 569114302 /nfs/dbraw/zinc/11/43/02/569114302.db2.gz DKRCUFUCLBTBDH-UHFFFAOYSA-N 0 0 408.321 2.907 50 0 HFAARN Cc1ccnc(NC(=O)CCn2nc(C(=O)Nc3ccc(C)c(C)c3)ccc2=O)c1 ZINC000064891937 569117763 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569202927 /nfs/dbraw/zinc/20/29/27/569202927.db2.gz JSCZBXPKTUVILA-KNQAVFIVSA-N 0 0 424.526 2.965 50 0 HFAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)cc1 ZINC000065237454 569202932 /nfs/dbraw/zinc/20/29/32/569202932.db2.gz HJYKVJRQNJSNQX-UHFFFAOYSA-N 0 0 417.531 2.614 50 0 HFAARN C=C1C(N2CCC(NC(=O)c3ccoc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239155 569203125 /nfs/dbraw/zinc/20/31/25/569203125.db2.gz NNQGRSVDUNMQJW-UHFFFAOYSA-N 0 0 417.462 2.786 50 0 HFAARN C=C1C(N2CCCN(C(=O)C(C)C)CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000065239528 569203475 /nfs/dbraw/zinc/20/34/75/569203475.db2.gz SMTLPJBQZJYCTP-UHFFFAOYSA-N 0 0 403.548 2.912 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000036594863 569204520 /nfs/dbraw/zinc/20/45/20/569204520.db2.gz YEZYTFZXAVIDAH-IRWQIABSSA-N 0 0 400.479 2.663 50 0 HFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c1C ZINC000036614854 569206802 /nfs/dbraw/zinc/20/68/02/569206802.db2.gz ICGUWEKYVRWKBY-UHFFFAOYSA-N 0 0 413.547 2.887 50 0 HFAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)CNS(=O)(=O)c1cn(C(F)F)nc1C ZINC000036615008 569206858 /nfs/dbraw/zinc/20/68/58/569206858.db2.gz GLZGKESCYFELCG-MRVPVSSYSA-N 0 0 415.388 2.725 50 0 HFAARN CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1C ZINC000036614916 569206864 /nfs/dbraw/zinc/20/68/64/569206864.db2.gz LNILVOVVJAMGIK-UHFFFAOYSA-N 0 0 414.934 2.819 50 0 HFAARN O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)nnn2CCN1CCOCC1 ZINC000065255167 569207673 /nfs/dbraw/zinc/20/76/73/569207673.db2.gz JTVCZXJIGIZHQL-UHFFFAOYSA-N 0 0 403.845 2.808 50 0 HFAARN COc1ccc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(OC)c1 ZINC000065257354 569208627 /nfs/dbraw/zinc/20/86/27/569208627.db2.gz SSCKVEPVFZGFTC-UHFFFAOYSA-N 0 0 414.506 2.631 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 ZINC000007045972 569211052 /nfs/dbraw/zinc/21/10/52/569211052.db2.gz RJVNJLMUTWAOMQ-GFCCVEGCSA-N 0 0 405.501 2.812 50 0 HFAARN CCCCNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000013159563 569211659 /nfs/dbraw/zinc/21/16/59/569211659.db2.gz PUHJVAIOMJLLMQ-FQEVSTJZSA-N 0 0 412.486 2.984 50 0 HFAARN COC(=O)C[C@H](c1cccnc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524730883 569212097 /nfs/dbraw/zinc/21/20/97/569212097.db2.gz AUIRZZZABJSTDS-HXUWFJFHSA-N 0 0 420.465 2.994 50 0 biogenic HFAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O ZINC000524730882 569212117 /nfs/dbraw/zinc/21/21/17/569212117.db2.gz AUIRZZZABJSTDS-FQEVSTJZSA-N 0 0 420.465 2.994 50 0 biogenic HFAARN COCCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524731543 569212304 /nfs/dbraw/zinc/21/23/04/569212304.db2.gz BHNSRQPCURWGPZ-AWEZNQCLSA-N 0 0 411.410 2.512 50 0 biogenic HFAARN COc1ccc(N2C[C@H](C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)CC2=O)cc1 ZINC000524734087 569213221 /nfs/dbraw/zinc/21/32/21/569213221.db2.gz UZVXJCBEOCLVEL-BEFAXECRSA-N 0 0 410.470 2.869 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(ccc3cccnc32)[C@@]12c1ccccc1N(C)C2=O ZINC000524733496 569213782 /nfs/dbraw/zinc/21/37/82/569213782.db2.gz OBBVXEYWBJHBIU-QHCPKHFHSA-N 0 0 401.422 2.623 50 0 HFAARN CSCC[C@@H](C(=O)Nc1ccc2c(c1)ncn2C)n1c(=O)[nH]c2ccccc2c1=O ZINC000524733738 569213911 /nfs/dbraw/zinc/21/39/11/569213911.db2.gz LIDZIBKZYAFOHV-SFHVURJKSA-N 0 0 423.498 2.922 50 0 HFAARN CC(C)[C@H](NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000524733968 569214059 /nfs/dbraw/zinc/21/40/59/569214059.db2.gz JNQRHNPHXIXOPC-IBGZPJMESA-N 0 0 405.458 2.882 50 0 HFAARN CCCNc1cc(N2CCC(CCC(=O)NCc3c(C)nn(C)c3C)CC2)ncn1 ZINC000065274210 569214950 /nfs/dbraw/zinc/21/49/50/569214950.db2.gz TZMWIYKJLFDCKJ-UHFFFAOYSA-N 0 0 413.570 2.962 50 0 HFAARN O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000065274487 569215038 /nfs/dbraw/zinc/21/50/38/569215038.db2.gz PVTRANRSMGZXPX-UHFFFAOYSA-N 0 0 419.416 2.727 50 0 HFAARN C=C1C(N2CCCN(C(=O)NC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271968 569215454 /nfs/dbraw/zinc/21/54/54/569215454.db2.gz NKRKHOLGOBIYMX-UHFFFAOYSA-N 0 0 418.563 2.984 50 0 HFAARN Cc1noc(C)c1CCNC(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1 ZINC000065292407 569218169 /nfs/dbraw/zinc/21/81/69/569218169.db2.gz OQOTZTCHCQEBOX-UHFFFAOYSA-N 0 0 407.474 2.883 50 0 HFAARN Cc1nn(C)cc1CN(C)C(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1 ZINC000065292424 569218196 /nfs/dbraw/zinc/21/81/96/569218196.db2.gz UMFMGJIVQSTXCZ-UHFFFAOYSA-N 0 0 406.490 2.619 50 0 HFAARN NC(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000007099172 569218586 /nfs/dbraw/zinc/21/85/86/569218586.db2.gz HWISSZRABJNZPC-UHFFFAOYSA-N 0 0 407.392 2.532 50 0 HFAARN COc1cccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(C)cc4)n3c2=O)c1 ZINC000065307803 569219880 /nfs/dbraw/zinc/21/98/80/569219880.db2.gz IYRCNHWNPANMCN-UHFFFAOYSA-N 0 0 418.457 2.899 50 0 HFAARN Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)C)nnc2N2CCCCC2)cc1 ZINC000007104786 569220039 /nfs/dbraw/zinc/22/00/39/569220039.db2.gz BTYLWRNTLHONPJ-UHFFFAOYSA-N 0 0 416.551 2.892 50 0 HFAARN Cc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)o1 ZINC000065307166 569220894 /nfs/dbraw/zinc/22/08/94/569220894.db2.gz AIQQNOXSYCBSGF-UHFFFAOYSA-N 0 0 415.453 2.919 50 0 HFAARN Cc1cc(N2CCCCCC2)n2nc(CN3CCN(c4ccccn4)CC3)nc2n1 ZINC000065311661 569221007 /nfs/dbraw/zinc/22/10/07/569221007.db2.gz WPJIMSLJMVHOBP-UHFFFAOYSA-N 0 0 406.538 2.530 50 0 HFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000036695040 569221536 /nfs/dbraw/zinc/22/15/36/569221536.db2.gz SXKYYKDFKZYFEE-QFIPXVFZSA-N 0 0 423.538 2.829 50 0 HFAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000036695039 569221544 /nfs/dbraw/zinc/22/15/44/569221544.db2.gz SXKYYKDFKZYFEE-JOCHJYFZSA-N 0 0 423.538 2.829 50 0 HFAARN O=C(Cn1cnc2ccccc21)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238840147 569225415 /nfs/dbraw/zinc/22/54/15/569225415.db2.gz HRDONJVCTOLQTG-CQSZACIVSA-N 0 0 401.264 2.874 50 0 HFAARN CCOc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)ccc1OCC(N)=O ZINC000065331130 569225191 /nfs/dbraw/zinc/22/51/91/569225191.db2.gz FNUNIOVZHINVTL-INIZCTEOSA-N 0 0 406.442 2.609 50 0 HFAARN Clc1ccc(Cn2ncc3c2ncnc3NCCN2CCOCC2)c(Cl)c1 ZINC000036729323 569225597 /nfs/dbraw/zinc/22/55/97/569225597.db2.gz JMNQIECYINAQSA-UHFFFAOYSA-N 0 0 407.305 2.926 50 0 HFAARN O=C(CSc1nnc(NCc2ccco2)s1)NCc1ccc2c(c1)OCO2 ZINC000007161586 569226886 /nfs/dbraw/zinc/22/68/86/569226886.db2.gz OMJFROVNAPNUEU-UHFFFAOYSA-N 0 0 404.473 2.880 50 0 HFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000036758971 569226987 /nfs/dbraw/zinc/22/69/87/569226987.db2.gz SGCXCYKVJOPILL-VBKZILBWSA-N 0 0 407.470 2.864 50 0 HFAARN Cc1occc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)o1 ZINC000007195467 569228248 /nfs/dbraw/zinc/22/82/48/569228248.db2.gz JFGRRCWVNFASCA-UHFFFAOYSA-N 0 0 404.423 2.966 50 0 HFAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000036791515 569228533 /nfs/dbraw/zinc/22/85/33/569228533.db2.gz MLQRYDRAWACAPD-NSHDSACASA-N 0 0 419.363 2.965 50 0 HFAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000007223293 569229445 /nfs/dbraw/zinc/22/94/45/569229445.db2.gz RHUDKYFHHGHXKU-QGZVFWFLSA-N 0 0 417.531 2.763 50 0 HFAARN COc1ccc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1Br ZINC000036829569 569229589 /nfs/dbraw/zinc/22/95/89/569229589.db2.gz ANYVOYBOYHCRPO-GOSISDBHSA-N 0 0 418.247 2.765 50 0 HFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N(Cc1ccccc1F)C1CC1 ZINC000007278420 569231195 /nfs/dbraw/zinc/23/11/95/569231195.db2.gz KCKUHRBGGIFIOO-HSZRJFAPSA-N 0 0 407.445 2.710 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1NC(C)=O ZINC000007286604 569232023 /nfs/dbraw/zinc/23/20/23/569232023.db2.gz WNGMHWNAWPDXGD-CQSZACIVSA-N 0 0 414.487 2.879 50 0 HFAARN O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000007288697 569232107 /nfs/dbraw/zinc/23/21/07/569232107.db2.gz QWLZAPZGJOFUKB-UHFFFAOYSA-N 0 0 412.442 2.712 50 0 HFAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccc(F)cc3)n2N)cc1 ZINC000007299076 569232600 /nfs/dbraw/zinc/23/26/00/569232600.db2.gz OIOCNVXTHXLKGN-GFCCVEGCSA-N 0 0 401.467 2.604 50 0 HFAARN O=C(COC(=O)c1ccc2ccccc2c1O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000007358115 569235008 /nfs/dbraw/zinc/23/50/08/569235008.db2.gz CJWZBVSSYYYJNQ-UHFFFAOYSA-N 0 0 414.364 2.735 50 0 HFAARN C[C@@H](OC[C@@H](O)CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 ZINC000065553618 569235399 /nfs/dbraw/zinc/23/53/99/569235399.db2.gz NZNKKESDDGDNCO-UTKZUKDTSA-N 0 0 422.485 2.552 50 0 HFAARN C[C@H](OC[C@H](O)CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 ZINC000065553612 569235467 /nfs/dbraw/zinc/23/54/67/569235467.db2.gz NZNKKESDDGDNCO-LAUBAEHRSA-N 0 0 422.485 2.552 50 0 HFAARN Cc1cc(C)cc(C(=O)Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)c1 ZINC000007387465 569236125 /nfs/dbraw/zinc/23/61/25/569236125.db2.gz JRJRNWKLAZLWHJ-AWEZNQCLSA-N 0 0 406.533 2.795 50 0 HFAARN CCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)c2ccc(OC)c(Cl)c2)C1=O ZINC000007394193 569236497 /nfs/dbraw/zinc/23/64/97/569236497.db2.gz CNWLDNDEXDQGKT-UHFFFAOYSA-N 0 0 424.881 2.965 50 0 HFAARN CN(C)C(=O)Cn1ccc2cc(NC(=O)N3CCN(c4ccccc4O)CC3)ccc21 ZINC000065591509 569236677 /nfs/dbraw/zinc/23/66/77/569236677.db2.gz MKWYPUSZPADSMP-UHFFFAOYSA-N 0 0 421.501 2.789 50 0 HFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Cc1ccccc1OC ZINC000007406273 569236827 /nfs/dbraw/zinc/23/68/27/569236827.db2.gz CXXBBNCEKNBRAZ-SFHVURJKSA-N 0 0 413.470 2.944 50 0 HFAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(-n2cnnn2)c1 ZINC000007407357 569236965 /nfs/dbraw/zinc/23/69/65/569236965.db2.gz WYMYOFFJJDALHD-UHFFFAOYSA-N 0 0 400.446 2.900 50 0 HFAARN O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1ccc2c(c1)CCCC2 ZINC000239846200 569237168 /nfs/dbraw/zinc/23/71/68/569237168.db2.gz KYYUHESFEQERQP-UHFFFAOYSA-N 0 0 404.511 2.689 50 0 HFAARN O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000065607782 569237469 /nfs/dbraw/zinc/23/74/69/569237469.db2.gz KZUPXBRCVCCFPV-SFHVURJKSA-N 0 0 414.500 2.730 50 0 HFAARN COc1ccc(C=CC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1OC ZINC000007421152 569237629 /nfs/dbraw/zinc/23/76/29/569237629.db2.gz DXRFSLRPTGSWNB-VQHVLOKHSA-N 0 0 409.446 2.550 50 0 HFAARN O=C(COC(=O)c1cc2c(s1)CCCC2)N1CCN(C(=O)c2cccs2)CC1 ZINC000007427474 569238493 /nfs/dbraw/zinc/23/84/93/569238493.db2.gz QDZFIUIBYLQWSM-UHFFFAOYSA-N 0 0 418.540 2.830 50 0 HFAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N3CCCCCCC3)C2=O)cc1 ZINC000007469152 569239991 /nfs/dbraw/zinc/23/99/91/569239991.db2.gz LHPZJQYGNUZISU-QFIPXVFZSA-N 0 0 401.507 2.731 50 0 HFAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3CCCCCCC3)C2=O)cc1 ZINC000007469153 569240007 /nfs/dbraw/zinc/24/00/07/569240007.db2.gz LHPZJQYGNUZISU-JOCHJYFZSA-N 0 0 401.507 2.731 50 0 HFAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1=O ZINC000007478971 569240474 /nfs/dbraw/zinc/24/04/74/569240474.db2.gz PYXCRMRJKZKLFK-XLIONFOSSA-N 0 0 401.463 2.813 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000037228443 569240841 /nfs/dbraw/zinc/24/08/41/569240841.db2.gz COWVIFWDLVJHDN-UHFFFAOYSA-N 0 0 403.529 2.727 50 0 HFAARN CC(=O)c1csc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c1 ZINC000170593278 569241201 /nfs/dbraw/zinc/24/12/01/569241201.db2.gz QMSTVCDOIARIHX-QGZVFWFLSA-N 0 0 418.540 2.948 50 0 HFAARN CC(C)(CSc1nnc(SCC(N)=O)s1)CS(=O)(=O)c1ccccc1 ZINC000170598599 569242600 /nfs/dbraw/zinc/24/26/00/569242600.db2.gz HOSXDMMYMMKDIJ-UHFFFAOYSA-N 0 0 417.603 2.708 50 0 HFAARN COC(=O)[C@](C)(NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(Cl)c(Cl)c1 ZINC000170599516 569242700 /nfs/dbraw/zinc/24/27/00/569242700.db2.gz HLGVXXUOTBFCEU-GOSISDBHSA-N 0 0 422.272 2.866 50 0 HFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000170606659 569244754 /nfs/dbraw/zinc/24/47/54/569244754.db2.gz JLOLCVZIRWSUGY-UHFFFAOYSA-N 0 0 411.483 2.532 50 0 HFAARN CN(C)c1ccc(C(=O)OCCN2CCCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000170609409 569245096 /nfs/dbraw/zinc/24/50/96/569245096.db2.gz FNUNOCZZXRWKKM-UHFFFAOYSA-N 0 0 409.502 2.991 50 0 HFAARN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC1CCN(c2ncccn2)CC1 ZINC000170610080 569245410 /nfs/dbraw/zinc/24/54/10/569245410.db2.gz KZICWKABUZOGOD-KRWDZBQOSA-N 0 0 403.527 2.599 50 0 HFAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCOCC3)CC2)c1 ZINC000037276991 569245928 /nfs/dbraw/zinc/24/59/28/569245928.db2.gz ZJKRPPSUMWRTCK-UHFFFAOYSA-N 0 0 407.514 2.866 50 0 HFAARN Cc1n[nH]cc1CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170613051 569246639 /nfs/dbraw/zinc/24/66/39/569246639.db2.gz GKHUUEHFPHMZEP-QGZVFWFLSA-N 0 0 415.542 2.882 50 0 HFAARN O=S(=O)(c1ccc(N2CCn3c(Br)cnc3C2)cc1)C(F)(F)F ZINC000170616185 569247435 /nfs/dbraw/zinc/24/74/35/569247435.db2.gz GQVMNSMCJRNMSJ-UHFFFAOYSA-N 0 0 410.215 2.959 50 0 HFAARN Nc1nccc([C@H]2CCCN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)C2)n1 ZINC000170616220 569247436 /nfs/dbraw/zinc/24/74/36/569247436.db2.gz KNFXOZBDXGLDKT-JTQLQIEISA-N 0 0 404.389 2.875 50 0 HFAARN CCCn1c(CCC(=O)N2CC(C)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000170617792 569247895 /nfs/dbraw/zinc/24/78/95/569247895.db2.gz FDIQDEVHQHCWKF-UHFFFAOYSA-N 0 0 420.579 2.888 50 0 HFAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1Br)N1CCN(c2cnccn2)CC1 ZINC000170621657 569248430 /nfs/dbraw/zinc/24/84/30/569248430.db2.gz WBBMUUOWMOLDGE-GDBMZVCRSA-N 0 0 402.296 2.627 50 0 HFAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)OCc1nc2ccccc2s1 ZINC000007555382 569249123 /nfs/dbraw/zinc/24/91/23/569249123.db2.gz ULNWBPGKBBCKDA-UHFFFAOYSA-N 0 0 409.467 2.896 50 0 HFAARN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)ccc1OC ZINC000170624297 569249389 /nfs/dbraw/zinc/24/93/89/569249389.db2.gz QESMWSNNXJTCIK-QEEYODRMSA-N 0 0 418.515 2.594 50 0 HFAARN COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000170623902 569249903 /nfs/dbraw/zinc/24/99/03/569249903.db2.gz QATOXTKHMGEHFL-UHFFFAOYSA-N 0 0 413.817 2.867 50 0 HFAARN COc1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000170625649 569250231 /nfs/dbraw/zinc/25/02/31/569250231.db2.gz GNNJQVZTHXXKLB-IBGZPJMESA-N 0 0 406.442 2.668 50 0 HFAARN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000170626433 569250498 /nfs/dbraw/zinc/25/04/98/569250498.db2.gz XGERYQWTFVJIQJ-IUCAKERBSA-N 0 0 405.289 2.963 50 0 HFAARN Cc1cc(C)cc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009883965 569251627 /nfs/dbraw/zinc/25/16/27/569251627.db2.gz AAZROHFEPYGORK-UHFFFAOYSA-N 0 0 424.906 2.807 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1ccccc1Cl ZINC000071283763 569251946 /nfs/dbraw/zinc/25/19/46/569251946.db2.gz JWOBAHLHODDFKV-UHFFFAOYSA-N 0 0 404.873 2.627 50 0 HFAARN O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1cccc(F)c1 ZINC000071285646 569252140 /nfs/dbraw/zinc/25/21/40/569252140.db2.gz MOQVJMBXMKDANH-UHFFFAOYSA-N 0 0 404.873 2.627 50 0 HFAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1OC ZINC000071288199 569252409 /nfs/dbraw/zinc/25/24/09/569252409.db2.gz DWJXLGNLOZQDLR-OCCSQVGLSA-N 0 0 405.476 2.692 50 0 HFAARN O=C(c1cccs1)N1CCC[C@H]1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000010024550 569252813 /nfs/dbraw/zinc/25/28/13/569252813.db2.gz ZRLDTSJDQLCLTD-SFHVURJKSA-N 0 0 424.526 2.859 50 0 HFAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000010217625 569253515 /nfs/dbraw/zinc/25/35/15/569253515.db2.gz HUBGQBGHKKPBGP-UHFFFAOYSA-N 0 0 417.465 2.661 50 0 HFAARN COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CSc2ncccn2)cc1=O ZINC000010254930 569254061 /nfs/dbraw/zinc/25/40/61/569254061.db2.gz BCUVZQTYLSWCNV-UHFFFAOYSA-N 0 0 424.482 2.781 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C(=O)N1CCCCCC1 ZINC000013608509 569256617 /nfs/dbraw/zinc/25/66/17/569256617.db2.gz OLVIEUISBAUOJQ-RTBURBONSA-N 0 0 424.563 2.635 50 0 HFAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCn1cnc2sccc2c1=O ZINC000014526415 569260446 /nfs/dbraw/zinc/26/04/46/569260446.db2.gz QWFCBHPMMORGMV-AWEZNQCLSA-N 0 0 408.487 2.648 50 0 HFAARN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000089591297 569260887 /nfs/dbraw/zinc/26/08/87/569260887.db2.gz IMVSNLOFDZZNGP-YVORESIASA-N 0 0 420.556 2.899 50 0 HFAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016723485 569261604 /nfs/dbraw/zinc/26/16/04/569261604.db2.gz SLWNTNGSWWJRAW-UHFFFAOYSA-N 0 0 424.526 2.646 50 0 HFAARN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000089643282 569261745 /nfs/dbraw/zinc/26/17/45/569261745.db2.gz IHFMQSFSIZTUAJ-CHAGWJKLSA-N 0 0 422.572 2.587 50 0 HFAARN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cc(N2CCNC2=O)c(F)cc1F ZINC000089768163 569263674 /nfs/dbraw/zinc/26/36/74/569263674.db2.gz WSZSFFPZFLLXPU-LLVKDONJSA-N 0 0 422.382 2.781 50 0 HFAARN Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)C2CCCC2)CC3)ccc1F ZINC000016837447 569263786 /nfs/dbraw/zinc/26/37/86/569263786.db2.gz RDXNTEBEEUZISL-UHFFFAOYSA-N 0 0 410.511 2.664 50 0 HFAARN O=C(C1CCCC1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000016837422 569263796 /nfs/dbraw/zinc/26/37/96/569263796.db2.gz OZCLKVBIFJZAHK-UHFFFAOYSA-N 0 0 412.939 2.870 50 0 HFAARN Nc1nc(SCC(=O)Nc2ccccc2)ncc1S(=O)(=O)c1cccs1 ZINC000016841837 569264610 /nfs/dbraw/zinc/26/46/10/569264610.db2.gz OGLYQLNAOMNJPX-UHFFFAOYSA-N 0 0 406.514 2.684 50 0 HFAARN O=c1c2nnn(-c3ccccc3)c2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000016843145 569264757 /nfs/dbraw/zinc/26/47/57/569264757.db2.gz ZSQRGQXJMBOBFN-UHFFFAOYSA-N 0 0 405.805 2.729 50 0 HFAARN CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000016845843 569265047 /nfs/dbraw/zinc/26/50/47/569265047.db2.gz VAZPOEWXQNXANV-OAHLLOKOSA-N 0 0 407.561 2.787 50 0 HFAARN O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCN(c2cnccn2)CC1 ZINC000089800232 569266154 /nfs/dbraw/zinc/26/61/54/569266154.db2.gz KDLYZSRHZPSELT-UHFFFAOYSA-N 0 0 407.503 2.807 50 0 HFAARN O=C(NCc1nnc2ccccn21)c1cccc(=O)n1CCOc1ccccc1Cl ZINC000089814516 569266463 /nfs/dbraw/zinc/26/64/63/569266463.db2.gz CMPZKLUJFPGYDD-UHFFFAOYSA-N 0 0 423.860 2.553 50 0 HFAARN COc1cc(C(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc(OC)c1OC ZINC000016943326 569267952 /nfs/dbraw/zinc/26/79/52/569267952.db2.gz BLIWMEWKLYHKLU-MRXNPFEDSA-N 0 0 421.446 2.809 50 0 HFAARN C[C@H](NC(=O)c1ccccc1NC(=O)COn1nnc2ccccc21)c1ccccc1 ZINC000089905704 569268319 /nfs/dbraw/zinc/26/83/19/569268319.db2.gz CCEXWYYXVQDBKK-INIZCTEOSA-N 0 0 415.453 2.990 50 0 HFAARN C[C@@H]1Oc2ccccc2N(CCn2nc(Br)nc2Br)C1=O ZINC000089919851 569268677 /nfs/dbraw/zinc/26/86/77/569268677.db2.gz KLXIEDQOGHQQKN-QMMMGPOBSA-N 0 0 416.073 2.617 50 0 HFAARN Cc1ccc(OCCN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000016966555 569268779 /nfs/dbraw/zinc/26/87/79/569268779.db2.gz BJTVWJQTOVASER-QGZVFWFLSA-N 0 0 410.470 2.657 50 0 HFAARN C[C@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 ZINC000089929785 569268880 /nfs/dbraw/zinc/26/88/80/569268880.db2.gz ZAZJOGCWUAIUNN-INIZCTEOSA-N 0 0 416.499 2.903 50 0 HFAARN COc1cc(CNc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc(Cl)c1OC ZINC000089930251 569268959 /nfs/dbraw/zinc/26/89/59/569268959.db2.gz XZTYVVPFHYEHEP-KBPBESRZSA-N 0 0 422.913 2.802 50 0 HFAARN CC[C@H]1c2ccccc2CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000089949335 569269739 /nfs/dbraw/zinc/26/97/39/569269739.db2.gz AACNZFSMGCSDSQ-GBXCKJPGSA-N 0 0 421.497 2.998 50 0 HFAARN COc1ccccc1-n1ncc2c1nc(SCC(=O)NCc1ccccc1)[nH]c2=O ZINC000016974242 569269742 /nfs/dbraw/zinc/26/97/42/569269742.db2.gz BTJSDSCDPGXRAR-UHFFFAOYSA-N 0 0 421.482 2.938 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C)n2cnc3ccccc32)cc1 ZINC000089969070 569270423 /nfs/dbraw/zinc/27/04/23/569270423.db2.gz HNWBSYHMPYQZNY-INIZCTEOSA-N 0 0 414.531 2.944 50 0 HFAARN Cc1ccc(-n2nnnc2CNC(=O)COc2cccc3c2OC(C)(C)C3)cc1C ZINC000017053349 569272601 /nfs/dbraw/zinc/27/26/01/569272601.db2.gz OKIZPVPNRGJOOL-UHFFFAOYSA-N 0 0 407.474 2.688 50 0 HFAARN Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC(C)C)cc1Cl ZINC000017120656 569275093 /nfs/dbraw/zinc/27/50/93/569275093.db2.gz YNMCCYXDTIXPGJ-UHFFFAOYSA-N 0 0 410.927 2.593 50 0 HFAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)c1 ZINC000017135598 569275313 /nfs/dbraw/zinc/27/53/13/569275313.db2.gz ZWRZNYRWPYMUGF-UHFFFAOYSA-N 0 0 423.473 2.975 50 0 HFAARN O=C(Nc1nnc(-c2ccco2)o1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000017169906 569276074 /nfs/dbraw/zinc/27/60/74/569276074.db2.gz CUQZGKXDVLQBMW-NSHDSACASA-N 0 0 408.461 2.573 50 0 HFAARN O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCCCC1 ZINC000017178429 569276374 /nfs/dbraw/zinc/27/63/74/569276374.db2.gz OKJDXYZKQKOUON-NRFANRHFSA-N 0 0 401.551 2.795 50 0 HFAARN Cc1cc2c(nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccco3)c2=O)s1 ZINC000001060507 569277103 /nfs/dbraw/zinc/27/71/03/569277103.db2.gz IFEAXNMIQPVZPQ-ZDUSSCGKSA-N 0 0 419.528 2.795 50 0 HFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002870476 569278179 /nfs/dbraw/zinc/27/81/79/569278179.db2.gz NMXWXUCQYDPRJX-ZDUSSCGKSA-N 0 0 406.435 2.594 50 0 HFAARN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000170636538 569279323 /nfs/dbraw/zinc/27/93/23/569279323.db2.gz FVLRNGPGMMRJAP-BBRMVZONSA-N 0 0 412.870 2.947 50 0 HFAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002093747 569280738 /nfs/dbraw/zinc/28/07/38/569280738.db2.gz UWHZODKFUGUGSJ-QGZVFWFLSA-N 0 0 401.440 2.764 50 0 biogenic HFAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(N)=O)CC3)c12 ZINC000002113163 569284228 /nfs/dbraw/zinc/28/42/28/569284228.db2.gz XDHMIOKEPFUOJT-UHFFFAOYSA-N 0 0 400.475 2.547 50 0 biogenic HFAARN CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]1c1coc2ccccc2c1=O ZINC000252428040 569285256 /nfs/dbraw/zinc/28/52/56/569285256.db2.gz OOXIMMFKYHJNKC-SCTDSRPQSA-N 0 0 410.813 2.923 50 0 HFAARN COCCN1CC(=O)N2[C@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002120631 569285489 /nfs/dbraw/zinc/28/54/89/569285489.db2.gz VXROPVGSQSWCFC-NZQKXSOJSA-N 0 0 403.482 2.808 50 0 biogenic HFAARN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444033 569285849 /nfs/dbraw/zinc/28/58/49/569285849.db2.gz UDLSAKADJPPKSM-YJBOKZPZSA-N 0 0 407.470 2.969 50 0 HFAARN CN(C)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000007595287 569287314 /nfs/dbraw/zinc/28/73/14/569287314.db2.gz YBGBQXFZOWRMIM-UHFFFAOYSA-N 0 0 409.895 2.544 50 0 HFAARN COc1c2c(cc3c1[C@@H](C[C@@](C)(NC=O)C(=O)CC1CCCC1)N(C)CC3)OCO2 ZINC000002131042 569287272 /nfs/dbraw/zinc/28/72/72/569287272.db2.gz FPAPHBQBVPMACY-UZUQRXQVSA-N 0 0 416.518 2.997 50 0 biogenic HFAARN Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252474430 569287889 /nfs/dbraw/zinc/28/78/89/569287889.db2.gz DIXAGUYKUWRZJA-IYARVYRRSA-N 0 0 407.518 2.870 50 0 HFAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N23)c1 ZINC000002155582 569290256 /nfs/dbraw/zinc/29/02/56/569290256.db2.gz IJYSYCPWLOFYJF-NZQKXSOJSA-N 0 0 403.482 2.544 50 0 biogenic HFAARN C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2n1C ZINC000252497333 569290863 /nfs/dbraw/zinc/29/08/63/569290863.db2.gz QDYOUUWZYRYOQN-RHSMWYFYSA-N 0 0 405.458 2.860 50 0 HFAARN O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2ccc(OC3CCCC3)nc2)CC1 ZINC000252495213 569290882 /nfs/dbraw/zinc/29/08/82/569290882.db2.gz ONRQKXCJNMMMQF-UHFFFAOYSA-N 0 0 423.517 2.534 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2nccn2C)c2ccccc2F)cc1 ZINC000017522092 569292526 /nfs/dbraw/zinc/29/25/26/569292526.db2.gz WHUBEIZSKYSAMW-GOSISDBHSA-N 0 0 417.462 2.804 50 0 HFAARN O=C(CNS(=O)(=O)c1cccc(F)c1)NCc1ccnc(-c2cccs2)c1 ZINC000252535972 569292724 /nfs/dbraw/zinc/29/27/24/569292724.db2.gz HIESAFGUXSGFJB-UHFFFAOYSA-N 0 0 405.476 2.544 50 0 HFAARN CCCS(=O)(=O)NC1CCN(Cc2cc(OC)ccc2Br)CC1 ZINC000252537589 569293082 /nfs/dbraw/zinc/29/30/82/569293082.db2.gz LRRMJLHUFJJYAY-UHFFFAOYSA-N 0 0 405.358 2.752 50 0 HFAARN COc1ccc(NC(C)=O)cc1NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000252572381 569294484 /nfs/dbraw/zinc/29/44/84/569294484.db2.gz ZEPBLMLIHCJUBZ-QGZVFWFLSA-N 0 0 424.457 2.697 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCc3ccccc32)c1 ZINC000007600781 569295054 /nfs/dbraw/zinc/29/50/54/569295054.db2.gz RGMKPWOBTLTZNE-UHFFFAOYSA-N 0 0 407.923 2.982 50 0 HFAARN CCOC(=O)c1c(NC(=O)CN(C)CC(=O)N(C)C)sc(C)c1-c1ccccc1 ZINC000007607957 569295235 /nfs/dbraw/zinc/29/52/35/569295235.db2.gz DHOJCOMHPXWBQZ-UHFFFAOYSA-N 0 0 417.531 2.859 50 0 HFAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC000007609168 569295384 /nfs/dbraw/zinc/29/53/84/569295384.db2.gz DCSAFSXVFCUIOT-UHFFFAOYSA-N 0 0 416.319 2.918 50 0 HFAARN COc1ccc(CCOC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1 ZINC000007616617 569295909 /nfs/dbraw/zinc/29/59/09/569295909.db2.gz SBMSUVNIYCBNAE-UHFFFAOYSA-N 0 0 413.879 2.930 50 0 HFAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000007640991 569298333 /nfs/dbraw/zinc/29/83/33/569298333.db2.gz DQLGEAMRIKUECW-DEOSSOPVSA-N 0 0 417.465 2.780 50 0 HFAARN O=C(/N=c1\sccn1Cc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000037428533 569298905 /nfs/dbraw/zinc/29/89/05/569298905.db2.gz XTLIURAYPORZRE-FRKCRFBYSA-N 0 0 411.483 2.841 50 0 HFAARN CC[C@@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000007687717 569300730 /nfs/dbraw/zinc/30/07/30/569300730.db2.gz BHHQZWOHQGXQAD-GOSISDBHSA-N 0 0 418.515 2.848 50 0 HFAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)C1 ZINC000007696905 569301176 /nfs/dbraw/zinc/30/11/76/569301176.db2.gz KOHJMVKVUKJDBT-MRXNPFEDSA-N 0 0 408.520 2.779 50 0 HFAARN COc1cc(OC)cc([C@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccccc2)c1 ZINC000007716660 569301945 /nfs/dbraw/zinc/30/19/45/569301945.db2.gz MUIQCTUWFWAALU-PMACEKPBSA-N 0 0 420.469 2.628 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccc(CS(C)(=O)=O)c2)c1 ZINC000007721294 569302569 /nfs/dbraw/zinc/30/25/69/569302569.db2.gz UDQFEUZYXWEMJK-CQSZACIVSA-N 0 0 403.456 2.618 50 0 HFAARN O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000007723206 569302696 /nfs/dbraw/zinc/30/26/96/569302696.db2.gz SVFYPAFSXNXCKP-UHFFFAOYSA-N 0 0 400.834 2.765 50 0 HFAARN COc1nc(N2CCN(c3ccc(Cl)cc3)CC2)ncc1C(=O)NCC(C)C ZINC000037523316 569302927 /nfs/dbraw/zinc/30/29/27/569302927.db2.gz OMZJHSHBBHNKSY-UHFFFAOYSA-N 0 0 403.914 2.851 50 0 HFAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCN1C(=O)c2ccccc2C1=O ZINC000007735643 569304576 /nfs/dbraw/zinc/30/45/76/569304576.db2.gz CXCOWLCZXFOQCI-QGZVFWFLSA-N 0 0 414.845 2.891 50 0 HFAARN CC(=O)c1sc(NC(=O)CSc2nnnn2-c2cc(C)ccc2C)nc1C ZINC000007737132 569304740 /nfs/dbraw/zinc/30/47/40/569304740.db2.gz WKSHHYVTNXYWQQ-UHFFFAOYSA-N 0 0 402.505 2.977 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C(F)(F)F ZINC000007758927 569307288 /nfs/dbraw/zinc/30/72/88/569307288.db2.gz UOCBEBYQWHFKHC-UHFFFAOYSA-N 0 0 414.405 2.979 50 0 HFAARN CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000007777289 569308583 /nfs/dbraw/zinc/30/85/83/569308583.db2.gz OLJABUOCQLZTIN-KBPBESRZSA-N 0 0 418.523 2.558 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1N ZINC000007778362 569308900 /nfs/dbraw/zinc/30/89/00/569308900.db2.gz AWZHELYIRLBMQY-JTQLQIEISA-N 0 0 404.883 2.835 50 0 HFAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(Cc1cccc(S(=O)(=O)N(C)C)c1)C2=O ZINC000007779302 569309232 /nfs/dbraw/zinc/30/92/32/569309232.db2.gz DYBWCMNCOCLOCX-JLTOFOAXSA-N 0 0 407.536 2.574 50 0 HFAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000007780018 569309441 /nfs/dbraw/zinc/30/94/41/569309441.db2.gz OKDRVDWAIIZCJU-GOEBONIOSA-N 0 0 418.490 2.727 50 0 HFAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000007782749 569310207 /nfs/dbraw/zinc/31/02/07/569310207.db2.gz BDSXPYVPMASTKX-UHFFFAOYSA-N 0 0 422.934 2.663 50 0 HFAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccs1 ZINC000007798046 569311201 /nfs/dbraw/zinc/31/12/01/569311201.db2.gz KXKHDGKSCOTAAW-QGZVFWFLSA-N 0 0 406.529 2.746 50 0 HFAARN C=CC(=O)NCc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)cc1 ZINC000195641333 569312812 /nfs/dbraw/zinc/31/28/12/569312812.db2.gz GJCZJNCMVCRZDX-UHFFFAOYSA-N 0 0 411.477 2.595 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886123 569315237 /nfs/dbraw/zinc/31/52/37/569315237.db2.gz LWAIHQIJGBZBGS-FZKQIMNGSA-N 0 0 420.922 2.933 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccsc3)c(=O)n2[C@@H]1c1cccs1 ZINC000252668962 569319133 /nfs/dbraw/zinc/31/91/33/569319133.db2.gz GAPVTQQAOKKFNZ-MRXNPFEDSA-N 0 0 416.549 2.921 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1cccs1 ZINC000252671409 569319357 /nfs/dbraw/zinc/31/93/57/569319357.db2.gz NJNHNSPRSPDBNY-OAHLLOKOSA-N 0 0 402.522 2.531 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccc(F)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252675814 569319645 /nfs/dbraw/zinc/31/96/45/569319645.db2.gz VEBNPDQRJUTOMZ-LJQANCHMSA-N 0 0 408.454 2.547 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccc(F)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252675813 569319651 /nfs/dbraw/zinc/31/96/51/569319651.db2.gz VEBNPDQRJUTOMZ-IBGZPJMESA-N 0 0 408.454 2.547 50 0 HFAARN CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccc(Cl)c1Cl ZINC000007915159 569321684 /nfs/dbraw/zinc/32/16/84/569321684.db2.gz ROQDFTTXTBFYTH-UHFFFAOYSA-N 0 0 402.303 2.711 50 0 HFAARN Cc1ccc(N2CCn3c4c(nc32)n(C)c(=O)n(Cc2ccc(F)cc2)c4=O)cc1C ZINC000003015905 569322879 /nfs/dbraw/zinc/32/28/79/569322879.db2.gz DUQGMOKTMNKADQ-UHFFFAOYSA-N 0 0 419.460 2.853 50 0 HFAARN CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2cccc(Cl)c2)OC(N2CCOCC2)=N1 ZINC000003103216 569322988 /nfs/dbraw/zinc/32/29/88/569322988.db2.gz QQOPKYYYDNMCJE-MRXNPFEDSA-N 0 0 419.787 2.627 50 0 HFAARN CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2S1(=O)=O ZINC000054820869 569324359 /nfs/dbraw/zinc/32/43/59/569324359.db2.gz ZURIDCNTPKZGJS-UHFFFAOYSA-N 0 0 412.389 2.800 50 0 HFAARN CC(C)CCOCCNC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000054900050 569325850 /nfs/dbraw/zinc/32/58/50/569325850.db2.gz LXHMCECJOJAWIH-HSZRJFAPSA-N 0 0 411.502 2.786 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)c1C ZINC000054911871 569327192 /nfs/dbraw/zinc/32/71/92/569327192.db2.gz OTJFNMQNBIKYFN-UHFFFAOYSA-N 0 0 419.481 2.806 50 0 HFAARN COc1ccc([C@H]2[C@@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)cc1 ZINC000012382687 569357081 /nfs/dbraw/zinc/35/70/81/569357081.db2.gz IMKXAEVDHUDFDQ-IWQHBPENSA-N 0 0 406.475 2.638 50 0 HFAARN COCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000253387481 569364866 /nfs/dbraw/zinc/36/48/66/569364866.db2.gz WHBNDQWQXQPIKV-GTAWCEEGSA-N 0 0 422.506 2.853 50 0 HFAARN C[C@@H]1C[C@H](OC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)C(=O)O1 ZINC000253388687 569365010 /nfs/dbraw/zinc/36/50/10/569365010.db2.gz DMBHWOIPOXYDKQ-LPMFXHHGSA-N 0 0 415.467 2.687 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 ZINC000253394253 569365108 /nfs/dbraw/zinc/36/51/08/569365108.db2.gz AJZMFVCWPFPTHP-KRWDZBQOSA-N 0 0 412.467 2.863 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)n1 ZINC000253394152 569365112 /nfs/dbraw/zinc/36/51/12/569365112.db2.gz AMBKWXAFEAPEJW-LBPRGKRZSA-N 0 0 411.867 2.717 50 0 HFAARN COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc2ccccc2c(=O)c1O ZINC000253396951 569365301 /nfs/dbraw/zinc/36/53/01/569365301.db2.gz BIHDBHLTHCBYIS-CYBMUJFWSA-N 0 0 400.383 2.916 50 0 biogenic HFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 ZINC000253410922 569366646 /nfs/dbraw/zinc/36/66/46/569366646.db2.gz NYCIXQRVEYXLSB-WCAVRKLYSA-N 0 0 413.518 2.779 50 0 biogenic HFAARN Cc1c(Br)cccc1CC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000253419979 569367825 /nfs/dbraw/zinc/36/78/25/569367825.db2.gz QDBHGDYVNQAHOY-LIRRHRJNSA-N 0 0 420.303 2.909 50 0 HFAARN COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000253425497 569368177 /nfs/dbraw/zinc/36/81/77/569368177.db2.gz OKXYEVFRFBZABR-HNNXBMFYSA-N 0 0 420.441 2.796 50 0 HFAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Br)ccn1)C2=O ZINC000253427621 569368453 /nfs/dbraw/zinc/36/84/53/569368453.db2.gz AEGBEUOJXNIFQZ-UHFFFAOYSA-N 0 0 409.284 2.673 50 0 HFAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCSCC1 ZINC000002298521 569369609 /nfs/dbraw/zinc/36/96/09/569369609.db2.gz QPEUYVXJTQICHT-UHFFFAOYSA-N 0 0 412.309 2.704 50 0 HFAARN CCc1c(-c2ccccc2)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000002331023 569375763 /nfs/dbraw/zinc/37/57/63/569375763.db2.gz CRBRPCBDVSRVCX-UHFFFAOYSA-N 0 0 413.481 2.964 50 0 HFAARN CS(=O)(=O)c1ccc2c(c1)SC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N21 ZINC000002341073 569376359 /nfs/dbraw/zinc/37/63/59/569376359.db2.gz VQLKRIPPBSUUQV-UHFFFAOYSA-N 0 0 419.328 2.902 50 0 HFAARN COc1ccc(Br)c(C(=O)NCCn2ccc(-c3cnccn3)n2)c1 ZINC000253472579 569381702 /nfs/dbraw/zinc/38/17/02/569381702.db2.gz NRQCAQFVEVTWBF-UHFFFAOYSA-N 0 0 402.252 2.541 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000253487709 569381737 /nfs/dbraw/zinc/38/17/37/569381737.db2.gz OKWVSEAJCQWYPN-VQPPSCEASA-N 0 0 423.513 2.642 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000253487849 569381741 /nfs/dbraw/zinc/38/17/41/569381741.db2.gz RVKGMCXDGHVMIK-HLLQZAQXSA-N 0 0 409.486 2.599 50 0 HFAARN CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000253536148 569382947 /nfs/dbraw/zinc/38/29/47/569382947.db2.gz FUIDZNUARWBWSK-WOSRLPQWSA-N 0 0 402.447 2.506 50 0 HFAARN COc1cc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc(OC)c1OC ZINC000002364922 569388095 /nfs/dbraw/zinc/38/80/95/569388095.db2.gz APPYSOQEHIXVQY-UHFFFAOYSA-N 0 0 401.419 2.995 50 0 HFAARN O=C(Cn1nnc2ccccc2c1=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253411037 569389018 /nfs/dbraw/zinc/38/90/18/569389018.db2.gz OCGCLLDNWRIVPJ-NRFANRHFSA-N 0 0 410.437 2.574 50 0 HFAARN CCOc1cc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)ccc1OC(C)=O ZINC000002375650 569389389 /nfs/dbraw/zinc/38/93/89/569389389.db2.gz OXVVHNWIDHRVCV-UNOMPAQXSA-N 0 0 421.478 2.998 50 0 HFAARN COc1cc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)ccc1OC(C)=O ZINC000002397569 569394620 /nfs/dbraw/zinc/39/46/20/569394620.db2.gz CDGPDLYLWJXTRQ-WQRHYEAKSA-N 0 0 407.451 2.608 50 0 HFAARN CC(C)CNC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000225416019 569395059 /nfs/dbraw/zinc/39/50/59/569395059.db2.gz ZXXPBHIZOCGVLI-AEFFLSMTSA-N 0 0 408.502 2.885 50 0 biogenic HFAARN CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2CCO)c2cc(OC)ccc2n1C ZINC000002408646 569396388 /nfs/dbraw/zinc/39/63/88/569396388.db2.gz UVSIRHAPKJJXPK-HNNXBMFYSA-N 0 0 417.506 2.539 50 0 HFAARN CCOC(=O)c1c(N)n(CCNC(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002431731 569399193 /nfs/dbraw/zinc/39/91/93/569399193.db2.gz ICZLHBJRPZUPTF-UHFFFAOYSA-N 0 0 421.432 2.913 50 0 HFAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnnn2-c2c(C)cccc2C)cc1 ZINC000012697366 569402793 /nfs/dbraw/zinc/40/27/93/569402793.db2.gz WEHZSEAPJBZZPF-UHFFFAOYSA-N 0 0 424.530 2.777 50 0 HFAARN CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000082046954 569403043 /nfs/dbraw/zinc/40/30/43/569403043.db2.gz RZAMUHXEOMZXET-XGJFEFGYSA-N 0 0 414.498 2.583 50 0 HFAARN COc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 ZINC000013008954 569407043 /nfs/dbraw/zinc/40/70/43/569407043.db2.gz MTRBDMKTUDRNKG-UHFFFAOYSA-N 0 0 406.490 2.559 50 0 HFAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1cccc(OC)c1 ZINC000013010240 569407159 /nfs/dbraw/zinc/40/71/59/569407159.db2.gz PFGLJODFZRXZQG-UHFFFAOYSA-N 0 0 407.426 2.979 50 0 HFAARN CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O)c1ccccc1 ZINC000013038883 569407688 /nfs/dbraw/zinc/40/76/88/569407688.db2.gz MVWISJJJEQLISM-JOCHJYFZSA-N 0 0 411.458 2.524 50 0 HFAARN CCOC(=O)c1sc2[nH]c(CN3CCCCC3)nc(=NN3CCOCC3)c2c1C ZINC000013038362 569407715 /nfs/dbraw/zinc/40/77/15/569407715.db2.gz SXHREHLDRBONIA-UHFFFAOYSA-N 0 0 419.551 2.821 50 0 HFAARN NC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000013068981 569408523 /nfs/dbraw/zinc/40/85/23/569408523.db2.gz IIZIBPSFMOQHMI-UHFFFAOYSA-N 0 0 421.478 2.789 50 0 HFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000013075452 569408688 /nfs/dbraw/zinc/40/86/88/569408688.db2.gz GTAJVMGUACJLBP-RXVVDRJESA-N 0 0 421.607 2.811 50 0 HFAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1OC ZINC000013115405 569409383 /nfs/dbraw/zinc/40/93/83/569409383.db2.gz HKEOSXPQJKCXKK-UHFFFAOYSA-N 0 0 406.504 2.663 50 0 HFAARN CCn1c2nnc(CCC(=O)NC[C@@H](C)c3ccccc3)n2c2ccsc2c1=O ZINC000013362801 569412027 /nfs/dbraw/zinc/41/20/27/569412027.db2.gz LMVPGEIBRQCCQL-CQSZACIVSA-N 0 0 409.515 2.978 50 0 HFAARN COc1ccc(-c2noc(CN3CCC[C@H](C(=O)NCC(C)C)C3)n2)cc1OC ZINC000013367249 569412321 /nfs/dbraw/zinc/41/23/21/569412321.db2.gz NVOGLLCKQVRGAY-INIZCTEOSA-N 0 0 402.495 2.738 50 0 HFAARN Cc1c(O)ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc12 ZINC000019296346 569414598 /nfs/dbraw/zinc/41/45/98/569414598.db2.gz HKCKVTDFGSVSOU-UHFFFAOYSA-N 0 0 408.454 2.854 50 0 biogenic HFAARN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000328592909 569415441 /nfs/dbraw/zinc/41/54/41/569415441.db2.gz PZCMTLBKMSHHTD-HHHXNRCGSA-N 0 0 403.891 2.876 50 0 HFAARN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ncc(Br)cn1 ZINC000078721816 569419957 /nfs/dbraw/zinc/41/99/57/569419957.db2.gz TZTYXIYLFYIPSC-UHFFFAOYSA-N 0 0 400.298 2.548 50 0 HFAARN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000078821983 569420673 /nfs/dbraw/zinc/42/06/73/569420673.db2.gz TXHAPOIPEDLPPY-WFASDCNBSA-N 0 0 405.486 2.593 50 0 HFAARN O=C(CN1CCC(=O)NC1=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000078871913 569421081 /nfs/dbraw/zinc/42/10/81/569421081.db2.gz IEQAJSOWCQVZFT-GOSISDBHSA-N 0 0 416.275 2.597 50 0 HFAARN CC(C)(C)c1nc(CN2CCCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)no1 ZINC000078878730 569421256 /nfs/dbraw/zinc/42/12/56/569421256.db2.gz GEJCCYOTYXYMFM-UHFFFAOYSA-N 0 0 408.506 2.901 50 0 HFAARN CCOc1ccc(CN(C)C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)cc1 ZINC000078964415 569422161 /nfs/dbraw/zinc/42/21/61/569422161.db2.gz OKTOTFCFGNSLIW-UHFFFAOYSA-N 0 0 413.518 2.661 50 0 HFAARN CC(C)(O)COc1ccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)cc1 ZINC000078968721 569422318 /nfs/dbraw/zinc/42/23/18/569422318.db2.gz RPPVXBZTTLEXAU-UHFFFAOYSA-N 0 0 419.528 2.778 50 0 HFAARN CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000079014882 569423766 /nfs/dbraw/zinc/42/37/66/569423766.db2.gz WSVBCUPMIKNHSR-MRXNPFEDSA-N 0 0 412.534 2.757 50 0 HFAARN CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000079014885 569423789 /nfs/dbraw/zinc/42/37/89/569423789.db2.gz WSVBCUPMIKNHSR-INIZCTEOSA-N 0 0 412.534 2.757 50 0 HFAARN COC(=O)[C@@H](C)[C@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 ZINC000079046123 569425216 /nfs/dbraw/zinc/42/52/16/569425216.db2.gz YBTUATCRSRXGFC-JXFKEZNVSA-N 0 0 420.469 2.964 50 0 HFAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000079073817 569426980 /nfs/dbraw/zinc/42/69/80/569426980.db2.gz VPFIPDXGULNWJE-MRXNPFEDSA-N 0 0 403.483 2.828 50 0 HFAARN Cc1cccc(-n2c(SCCNC(=O)C3CCCC3)nnc2N2CCOCC2)c1 ZINC000079098679 569427378 /nfs/dbraw/zinc/42/73/78/569427378.db2.gz FUTAMMCAXUJKFP-UHFFFAOYSA-N 0 0 415.563 2.811 50 0 HFAARN O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000079101373 569427457 /nfs/dbraw/zinc/42/74/57/569427457.db2.gz RLAQLUHTZJYPJR-CYBMUJFWSA-N 0 0 407.396 2.724 50 0 HFAARN COCc1nc(-c2cccc(NC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)c2)n[nH]1 ZINC000079492623 569432544 /nfs/dbraw/zinc/43/25/44/569432544.db2.gz UHXIIZDTHFISPL-UHFFFAOYSA-N 0 0 421.505 2.880 50 0 HFAARN C[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)Nc1ccccc1F ZINC000012648091 571043954 /nfs/dbraw/zinc/04/39/54/571043954.db2.gz PPXZNYIATMKUOH-LLVKDONJSA-N 0 0 403.439 2.672 50 0 HFAARN CCOC(=O)c1nnn([C@@H](CC)C(=O)Nc2ccc(CC)cc2)c1C(=O)OCC ZINC000067240405 571052120 /nfs/dbraw/zinc/05/21/20/571052120.db2.gz AEWYGSPFTXNQCQ-HNNXBMFYSA-N 0 0 402.451 2.784 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cccc3CC)c(=O)c2=O)cc1 ZINC000067256041 571055805 /nfs/dbraw/zinc/05/58/05/571055805.db2.gz SOBCJYCOEPAWJS-UHFFFAOYSA-N 0 0 407.470 2.907 50 0 HFAARN O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1cccnc1 ZINC000067261683 571060191 /nfs/dbraw/zinc/06/01/91/571060191.db2.gz HQPAYAALWSCLFX-UHFFFAOYSA-N 0 0 413.275 2.774 50 0 HFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285854 571064535 /nfs/dbraw/zinc/06/45/35/571064535.db2.gz GZJKLJDWZFBNRX-HXUWFJFHSA-N 0 0 417.506 2.607 50 0 HFAARN CCCCOc1ccc(-c2cc3c4nn(CC(=O)NC(C)C)c(=O)n4ccn3n2)cc1 ZINC000067290743 571067372 /nfs/dbraw/zinc/06/73/72/571067372.db2.gz KFLZPQPMQSLLRH-UHFFFAOYSA-N 0 0 422.489 2.514 50 0 HFAARN Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NC2CCCCC2)c(=O)c1CCO ZINC000067300451 571073590 /nfs/dbraw/zinc/07/35/90/571073590.db2.gz NAHHURDXYZTVAN-UHFFFAOYSA-N 0 0 403.910 2.856 50 0 HFAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c(F)c1 ZINC000067317126 571076155 /nfs/dbraw/zinc/07/61/55/571076155.db2.gz HTYHWHQIOZMGJR-UHFFFAOYSA-N 0 0 401.467 2.930 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)N[C@H](C)c3ccc(C)cc3)c(=O)c2=O)cc1 ZINC000067319653 571076679 /nfs/dbraw/zinc/07/66/79/571076679.db2.gz ZOHJQZJPQFIUHA-QGZVFWFLSA-N 0 0 407.470 2.584 50 0 HFAARN Cc1cccc(OCCNC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 ZINC000008542536 571077281 /nfs/dbraw/zinc/07/72/81/571077281.db2.gz QVWSULZHHAQOOW-GOSISDBHSA-N 0 0 414.483 2.536 50 0 HFAARN Cc1ccc(F)cc1-n1ccn(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c1=O ZINC000067320344 571077302 /nfs/dbraw/zinc/07/73/02/571077302.db2.gz NQWCTWFRZRGOML-KRWDZBQOSA-N 0 0 409.461 2.584 50 0 HFAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1CCO ZINC000067335308 571079687 /nfs/dbraw/zinc/07/96/87/571079687.db2.gz HRTPULLUCNQZJM-UHFFFAOYSA-N 0 0 403.529 2.591 50 0 HFAARN COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000008569720 571082065 /nfs/dbraw/zinc/08/20/65/571082065.db2.gz NJUFVWSNGZOHFK-SFHVURJKSA-N 0 0 410.409 2.757 50 0 HFAARN Nc1nc(N)c(S(=O)(=O)c2ccccc2)c(Nc2ccc(Br)cc2)n1 ZINC000008591075 571085850 /nfs/dbraw/zinc/08/58/50/571085850.db2.gz FLQKAPRXLFIVKU-UHFFFAOYSA-N 0 0 420.292 2.980 50 0 HFAARN Cc1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038848802 571086822 /nfs/dbraw/zinc/08/68/22/571086822.db2.gz YTWMIMPDOSTEGT-GOSISDBHSA-N 0 0 408.907 2.882 50 0 HFAARN COC(=O)c1ccc(OC)c(CN2CCCN(Cc3ccc(C)cc3)S2(=O)=O)c1 ZINC000008594452 571087607 /nfs/dbraw/zinc/08/76/07/571087607.db2.gz ASPCDFIUFLCLHV-UHFFFAOYSA-N 0 0 418.515 2.743 50 0 HFAARN COc1ccc(OC)c(CCNC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c32)c1 ZINC000008596853 571087928 /nfs/dbraw/zinc/08/79/28/571087928.db2.gz PBQLYLZXFGLKFN-UHFFFAOYSA-N 0 0 413.474 2.944 50 0 HFAARN Cc1cccc(C(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)c1 ZINC000008599599 571089197 /nfs/dbraw/zinc/08/91/97/571089197.db2.gz KMWXVROXLDACNT-UHFFFAOYSA-N 0 0 423.488 2.610 50 0 HFAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(F)cc1 ZINC000008694499 571102187 /nfs/dbraw/zinc/10/21/87/571102187.db2.gz ZKZKGHBLAHSCIM-UHFFFAOYSA-N 0 0 423.451 2.763 50 0 HFAARN CC1=NN(Cc2ccc(Cl)cc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000008706216 571103552 /nfs/dbraw/zinc/10/35/52/571103552.db2.gz CMUUSWHELJSKAR-SNVBAGLBSA-N 0 0 421.288 2.698 50 0 HFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3[C@@H](C)c2ccccc2)n(C)c1=O ZINC000008706107 571103599 /nfs/dbraw/zinc/10/35/99/571103599.db2.gz UIGCPQVDZWSPPB-GJZGRUSLSA-N 0 0 407.474 2.526 50 0 HFAARN Cn1nc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c2ccccc2c1=O ZINC000008707418 571103818 /nfs/dbraw/zinc/10/38/18/571103818.db2.gz KCXNSYIQLQBBCN-UHFFFAOYSA-N 0 0 402.410 2.709 50 0 HFAARN O=C(Cc1cn2ccsc2n1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008709541 571104727 /nfs/dbraw/zinc/10/47/27/571104727.db2.gz PYRZVLYIBRQDPY-GOSISDBHSA-N 0 0 410.499 2.745 50 0 HFAARN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000008720083 571106727 /nfs/dbraw/zinc/10/67/27/571106727.db2.gz LAAYLCQWBGWGOV-UHFFFAOYSA-N 0 0 407.459 2.587 50 0 HFAARN Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1-c1nc[nH]n1 ZINC000008726262 571108475 /nfs/dbraw/zinc/10/84/75/571108475.db2.gz HHKROMQLESCAEG-GFCCVEGCSA-N 0 0 419.536 2.630 50 0 HFAARN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000008728961 571108754 /nfs/dbraw/zinc/10/87/54/571108754.db2.gz CTJCKZSPPJWLHC-UHFFFAOYSA-N 0 0 411.443 2.527 50 0 HFAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000008733812 571109433 /nfs/dbraw/zinc/10/94/33/571109433.db2.gz IVXZNWPKSPDOQN-LJQANCHMSA-N 0 0 423.519 2.987 50 0 HFAARN CCc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000008735850 571109928 /nfs/dbraw/zinc/10/99/28/571109928.db2.gz APNZYCHVNLCXTH-UHFFFAOYSA-N 0 0 424.548 2.926 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000008755504 571113308 /nfs/dbraw/zinc/11/33/08/571113308.db2.gz ORFDORALXRUXPA-WNSKOXEYSA-N 0 0 423.517 2.606 50 0 HFAARN Cc1nn(S(=O)(=O)c2ccc3ccccc3c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000008755231 571113352 /nfs/dbraw/zinc/11/33/52/571113352.db2.gz VZJVMHPOJSNQOG-UHFFFAOYSA-N 0 0 419.528 2.675 50 0 HFAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nnnn32)c(OC)c1 ZINC000008768318 571115961 /nfs/dbraw/zinc/11/59/61/571115961.db2.gz INYCGQBDONLEMQ-SFHVURJKSA-N 0 0 410.409 2.757 50 0 HFAARN C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)NC(=O)NC1CCCCC1 ZINC000039553243 571133173 /nfs/dbraw/zinc/13/31/73/571133173.db2.gz IMDIJFITAKZHCV-CQSZACIVSA-N 0 0 404.536 2.957 50 0 HFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000039976686 571135626 /nfs/dbraw/zinc/13/56/26/571135626.db2.gz RIZOYNYQHMXWFT-HNNXBMFYSA-N 0 0 413.499 2.849 50 0 HFAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000040013068 571138434 /nfs/dbraw/zinc/13/84/34/571138434.db2.gz MCKZAYJNRXPDFK-UHFFFAOYSA-N 0 0 423.473 2.593 50 0 HFAARN COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1C ZINC000008890273 571141652 /nfs/dbraw/zinc/14/16/52/571141652.db2.gz BYBSHXGEDVSWND-IQMFZBJNSA-N 0 0 409.486 2.889 50 0 HFAARN CN(C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000040039366 571141999 /nfs/dbraw/zinc/14/19/99/571141999.db2.gz KVSZBHVGHGHORF-LBPRGKRZSA-N 0 0 421.828 2.804 50 0 HFAARN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCN1C(=O)CSc2ccccc21 ZINC000040040537 571142575 /nfs/dbraw/zinc/14/25/75/571142575.db2.gz UTOGFUVJRGNAOO-VYDXJSESSA-N 0 0 402.516 2.848 50 0 HFAARN CN(Cc1ccc(F)cc1F)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000040062133 571147519 /nfs/dbraw/zinc/14/75/19/571147519.db2.gz DZWCDKDBGFZRNK-UHFFFAOYSA-N 0 0 411.368 2.639 50 0 HFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(OC)cc3)cc(C(C)C)nc21 ZINC000040063237 571147905 /nfs/dbraw/zinc/14/79/05/571147905.db2.gz OOIBSSUWMIKFIG-UHFFFAOYSA-N 0 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571200520 /nfs/dbraw/zinc/20/05/20/571200520.db2.gz IGHFNJDIHUOKMK-UHFFFAOYSA-N 0 0 407.499 2.632 50 0 HFAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)OCc1cc2c(c(Cl)c1)OCO2 ZINC000040153088 571200559 /nfs/dbraw/zinc/20/05/59/571200559.db2.gz HJJSCAGZOZOHSE-UHFFFAOYSA-N 0 0 413.817 2.808 50 0 HFAARN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000040153737 571201218 /nfs/dbraw/zinc/20/12/18/571201218.db2.gz LEZNXBPPTSYTIL-KRWDZBQOSA-N 0 0 417.531 2.915 50 0 HFAARN Cc1nccn1-c1cc(CNC(=O)c2ccc(OCc3nccn3C)cc2)ccn1 ZINC000040154739 571202229 /nfs/dbraw/zinc/20/22/29/571202229.db2.gz NWDJGZMWPYPVCI-UHFFFAOYSA-N 0 0 402.458 2.818 50 0 HFAARN COC(=O)CN(Cc1ccccc1Cl)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000040158194 571204723 /nfs/dbraw/zinc/20/47/23/571204723.db2.gz ZNTZIVYSRWJGPT-UHFFFAOYSA-N 0 0 407.898 2.917 50 0 HFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)NC2CCCCC2)CC1=O ZINC000040159196 571205384 /nfs/dbraw/zinc/20/53/84/571205384.db2.gz JJWLDFVMPCFRAT-HOTGVXAUSA-N 0 0 402.491 2.737 50 0 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COc1ccc(C[C@@](C)(O)CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1 ZINC000077184793 571312072 /nfs/dbraw/zinc/31/20/72/571312072.db2.gz UELUMYQFQORHEM-JOCHJYFZSA-N 0 0 419.543 2.530 50 0 HFAARN O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)NCC(F)(F)F ZINC000020924585 571314818 /nfs/dbraw/zinc/31/48/18/571314818.db2.gz JNNLPMYOZADVAC-CSKARUKUSA-N 0 0 402.394 2.761 50 0 HFAARN Cn1c(=O)c(-c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)nc2cccnc21 ZINC000033170352 571315839 /nfs/dbraw/zinc/31/58/39/571315839.db2.gz HDESJPTXYVXJRU-UHFFFAOYSA-N 0 0 414.421 2.654 50 0 HFAARN COc1ccc(CCC(=O)N(C)CCc2noc(C(=O)NCc3ccccc3)n2)cc1 ZINC000033273350 571315957 /nfs/dbraw/zinc/31/59/57/571315957.db2.gz IEUNUVNGOBPCJN-UHFFFAOYSA-N 0 0 422.485 2.642 50 0 HFAARN Cc1nc(-c2cccc(C(=O)N3CCCN(c4nc5cccnc5o4)CC3)c2)no1 ZINC000033324488 571316220 /nfs/dbraw/zinc/31/62/20/571316220.db2.gz FQDUSFUDIKJCMP-UHFFFAOYSA-N 0 0 404.430 2.934 50 0 HFAARN COCCN1Cc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2O[C@H](C)C1=O ZINC000035886793 571317105 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Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 ZINC000010157316 132345319 /nfs/dbraw/zinc/34/53/19/132345319.db2.gz XPSWPMLAQAXOHQ-MRXNPFEDSA-N 0 0 416.485 2.520 50 0 HFAARN O=C(NCc1ccc(F)cc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010660714 132346242 /nfs/dbraw/zinc/34/62/42/132346242.db2.gz YUQKXBRUHKAUMN-UHFFFAOYSA-N 0 0 422.386 2.815 50 0 HFAARN FC(F)(F)c1nnc2ccc(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)nn21 ZINC000011606920 132348353 /nfs/dbraw/zinc/34/83/53/132348353.db2.gz UJYUXZZFCUMDPV-GFCCVEGCSA-N 0 0 406.416 2.845 50 0 HFAARN O=S(=O)(c1cccs1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000011695348 132349375 /nfs/dbraw/zinc/34/93/75/132349375.db2.gz UVUFWIAPLSOFJL-UHFFFAOYSA-N 0 0 404.492 2.855 50 0 HFAARN Cn1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)cn1 ZINC000011880030 132351612 /nfs/dbraw/zinc/35/16/12/132351612.db2.gz LPFUCUQEGRUNNW-LJQANCHMSA-N 0 0 416.529 2.899 50 0 HFAARN O=C(c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1)N1CCCc2ccccc21 ZINC000012003486 132352961 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COc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1OC ZINC000012809192 132367542 /nfs/dbraw/zinc/36/75/42/132367542.db2.gz IZRBGIRMBIIBLW-UHFFFAOYSA-N 0 0 404.488 2.977 50 0 HFAARN COC(=O)c1ccc([C@H]2NC(=O)N(c3ccc4c(c3)OCO4)C(C)=C2C(=O)OC)cc1 ZINC000012856905 132367909 /nfs/dbraw/zinc/36/79/09/132367909.db2.gz FXPSGTFQUBEZGK-LJQANCHMSA-N 0 0 424.409 2.920 50 0 HFAARN O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000012856407 132367926 /nfs/dbraw/zinc/36/79/26/132367926.db2.gz KQFPYINFBHIPDM-UHFFFAOYSA-N 0 0 401.532 2.562 50 0 HFAARN Cc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012884908 132368281 /nfs/dbraw/zinc/36/82/81/132368281.db2.gz NTHHYBNKLRYAQJ-UHFFFAOYSA-N 0 0 418.423 2.984 50 0 HFAARN Cc1ccc(-c2nc(Cn3c4ccccc4nc(N4CCOCC4)c3=O)no2)cc1 ZINC000012898734 132368307 /nfs/dbraw/zinc/36/83/07/132368307.db2.gz SQMHVOGDEMGIPQ-UHFFFAOYSA-N 0 0 403.442 2.640 50 0 HFAARN COC(=O)c1cccc2c1CCCN2C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000012920400 132449874 /nfs/dbraw/zinc/44/98/74/132449874.db2.gz QFGUSSSQVYNROJ-UHFFFAOYSA-N 0 0 416.499 2.625 50 0 HFAARN Cc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccccc4)CC2)n1)CCC3 ZINC000013039526 132452997 /nfs/dbraw/zinc/45/29/97/132452997.db2.gz QBVSZJIMXXTPOH-UHFFFAOYSA-N 0 0 414.556 2.999 50 0 HFAARN COc1ccc(NC(=O)c2c(C)oc3nc(C)nc(N4CCOCC4)c32)cc1OC ZINC000015727842 132462297 /nfs/dbraw/zinc/46/22/97/132462297.db2.gz HJRXKZXFIGBKPU-UHFFFAOYSA-N 0 0 412.446 2.946 50 0 HFAARN CCc1cccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021872844 132473787 /nfs/dbraw/zinc/47/37/87/132473787.db2.gz QGDFQIQMYDCUDN-QHCPKHFHSA-N 0 0 424.501 2.710 50 0 HFAARN O=C(CCn1cnc2c3ccccc3[nH]c2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000023125675 132477753 /nfs/dbraw/zinc/47/77/53/132477753.db2.gz KQMCRJYUJFELLJ-UHFFFAOYSA-N 0 0 419.460 2.756 50 0 HFAARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccccc1SC[C@H]1CCCO1 ZINC000027264071 132490966 /nfs/dbraw/zinc/49/09/66/132490966.db2.gz VUBXAGQIBSTPCL-MRXNPFEDSA-N 0 0 412.515 2.541 50 0 HFAARN Cc1ccc(N2C(=O)CN(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000031773733 132498826 /nfs/dbraw/zinc/49/88/26/132498826.db2.gz GNCVVGFGZNGFLN-VQTJNVASSA-N 0 0 418.946 2.971 50 0 HFAARN O=S(=O)(c1ccccc1F)N1CCN=C1N1CCN(c2cccc(Cl)c2)CC1 ZINC000035483321 132802254 /nfs/dbraw/zinc/80/22/54/132802254.db2.gz GVLQHPXPIBELAY-UHFFFAOYSA-N 0 0 422.913 2.662 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2ccc(C)o2)cc1 ZINC000032674206 518401158 /nfs/dbraw/zinc/40/11/58/518401158.db2.gz QJPGVBPEKDQECX-UHFFFAOYSA-N 0 0 406.504 2.850 50 0 HFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccco4)on3)CC2)c1 ZINC000032860120 518460028 /nfs/dbraw/zinc/46/00/28/518460028.db2.gz PFWPNWKUAFYKEQ-UHFFFAOYSA-N 0 0 415.471 2.644 50 0 HFAARN CC(C)(C)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020603697 518563531 /nfs/dbraw/zinc/56/35/31/518563531.db2.gz GOCSMUDMVHJTCZ-UHFFFAOYSA-N 0 0 400.928 2.726 50 0 HFAARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000252666630 518564975 /nfs/dbraw/zinc/56/49/75/518564975.db2.gz CBXNPJYXVSBJPG-ZGXWSNOMSA-N 0 0 411.546 2.544 50 0 HFAARN CC(C)C[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)N1CCOCC1 ZINC000044014235 519208871 /nfs/dbraw/zinc/20/88/71/519208871.db2.gz JLWGYFNSVCKFSG-FQEVSTJZSA-N 0 0 402.539 2.791 50 0 HFAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000044003828 519375237 /nfs/dbraw/zinc/37/52/37/519375237.db2.gz CTYFYNSAEUUXSH-UHFFFAOYSA-N 0 0 414.955 2.818 50 0 HFAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)OCO4)cc(C(C)C)nc21 ZINC000032031699 519483593 /nfs/dbraw/zinc/48/35/93/519483593.db2.gz JCONOYZCHADUDZ-UHFFFAOYSA-N 0 0 424.457 2.845 50 0 HFAARN CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032104784 519590179 /nfs/dbraw/zinc/59/01/79/519590179.db2.gz VFLWWCBOIWXHGP-NRFANRHFSA-N 0 0 420.469 2.710 50 0 HFAARN CC(C)Oc1ccc2c(NC(=O)CN3CCOCC3)nn(CC(F)(F)F)c2c1 ZINC000072479707 519782016 /nfs/dbraw/zinc/78/20/16/519782016.db2.gz NCEZOWOIRSREGF-UHFFFAOYSA-N 0 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407.268 2.549 50 0 HFAARN CCN(CCNC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccccc1C ZINC000044553441 521074716 /nfs/dbraw/zinc/07/47/16/521074716.db2.gz VEBJFTOPPJOIGT-UHFFFAOYSA-N 0 0 403.914 2.531 50 0 HFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000032950309 521215718 /nfs/dbraw/zinc/21/57/18/521215718.db2.gz LYORNYAJXXNMMD-UHFFFAOYSA-N 0 0 413.503 2.806 50 0 HFAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1nnc2ccccc2c1=O ZINC000032666196 521373442 /nfs/dbraw/zinc/37/34/42/521373442.db2.gz DEXHWOINNXFTMS-UHFFFAOYSA-N 0 0 424.438 2.928 50 0 HFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1cccc(NC(C)=O)c1 ZINC000040308919 521540317 /nfs/dbraw/zinc/54/03/17/521540317.db2.gz NIRIJGYWHOSMLX-JOCHJYFZSA-N 0 0 406.442 2.583 50 0 biogenic HFAARN CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000032772546 521609321 /nfs/dbraw/zinc/60/93/21/521609321.db2.gz NIYDXTVINBDNFH-CYBMUJFWSA-N 0 0 423.512 2.974 50 0 HFAARN CCc1ccccc1NC(=O)CN1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 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2.752 50 0 HFAARN CN(CCOc1ccc(F)cc1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000072309671 522908051 /nfs/dbraw/zinc/90/80/51/522908051.db2.gz FGUBLKPUNGSGPX-UHFFFAOYSA-N 0 0 403.458 2.624 50 0 HFAARN COC(=O)CCCN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000032278330 523011609 /nfs/dbraw/zinc/01/16/09/523011609.db2.gz OTPKJDXYZKZAFZ-UHFFFAOYSA-N 0 0 411.380 2.585 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(F)cc(F)c3)n2N)c(OC)c1 ZINC000032858334 523259324 /nfs/dbraw/zinc/25/93/24/523259324.db2.gz NVQRSKVRBBIAQV-UHFFFAOYSA-N 0 0 421.429 2.685 50 0 HFAARN CCn1c2ccccc2nc1NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000032816363 523288051 /nfs/dbraw/zinc/28/80/51/523288051.db2.gz AUYZSTANWJOLPT-HSZRJFAPSA-N 0 0 417.469 2.994 50 0 HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000032768245 523597399 /nfs/dbraw/zinc/59/73/99/523597399.db2.gz CZJBPKAVPTXUNK-UYAOXDASSA-N 0 0 409.486 2.831 50 0 HFAARN CCn1ncc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1C(=O)N(C)C ZINC000020602640 523692123 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Cc1cc(C)c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000032823703 524327827 /nfs/dbraw/zinc/32/78/27/524327827.db2.gz LNVBOZCXGHGMEO-MSOLQXFVSA-N 0 0 411.589 2.899 50 0 HFAARN COc1ccccc1CNC(=O)C[C@H](C)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000032961381 524467444 /nfs/dbraw/zinc/46/74/44/524467444.db2.gz YUKCGRNQFFFZBU-CQSZACIVSA-N 0 0 401.488 2.941 50 0 HFAARN COc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4cccs4)nn32)cc1 ZINC000045925837 524508451 /nfs/dbraw/zinc/50/84/51/524508451.db2.gz LAMZTKZJXMHXCA-UHFFFAOYSA-N 0 0 413.484 2.886 50 0 HFAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1OC ZINC000020556699 524542696 /nfs/dbraw/zinc/54/26/96/524542696.db2.gz OSWTYQIEOOWPNS-UHFFFAOYSA-N 0 0 422.485 2.955 50 0 HFAARN C[C@@H]1CCO[C@]2(O1)c1ccccc1N(CN1CCN(c3ccc(F)cc3)CC1)C2=O ZINC000020567666 524548124 /nfs/dbraw/zinc/54/81/24/524548124.db2.gz NIGQWZALBHIYLH-HXOBKFHXSA-N 0 0 411.477 2.930 50 0 HFAARN C[C@@H]1CN(C(=O)C2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)C[C@H](C)O1 ZINC000032926845 524760877 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HFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@@H]2CCCCO2)c1 ZINC000012596865 558438166 /nfs/dbraw/zinc/43/81/66/558438166.db2.gz KHSXOFLSLMUXGI-IBGZPJMESA-N 0 0 404.507 2.726 50 0 HFAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)CCc1ccc3ccccc3n1)CCC2 ZINC000021432080 558438176 /nfs/dbraw/zinc/43/81/76/558438176.db2.gz NMQNSZRVSNEOHH-UHFFFAOYSA-N 0 0 423.494 2.998 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000010763072 558442164 /nfs/dbraw/zinc/44/21/64/558442164.db2.gz CFDSDLDTXCGBEL-MRXNPFEDSA-N 0 0 401.488 2.684 50 0 HFAARN O=C(Nc1ccc(N2CCOCC2)nc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000021589179 558442435 /nfs/dbraw/zinc/44/24/35/558442435.db2.gz IODPFOIFSDJXBE-UHFFFAOYSA-N 0 0 412.465 2.548 50 0 HFAARN C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000021590985 558442471 /nfs/dbraw/zinc/44/24/71/558442471.db2.gz TZNBAYHCNZAVCG-HNNXBMFYSA-N 0 0 421.453 2.549 50 0 HFAARN COc1ccccc1-c1nc(SCC(=O)Nc2ncc3c(n2)C[C@@H](C)CC3=O)n[nH]1 ZINC000012653310 558444311 /nfs/dbraw/zinc/44/43/11/558444311.db2.gz FGHOOMKUUXZOKE-LLVKDONJSA-N 0 0 424.486 2.766 50 0 HFAARN CN(C)C(=O)[C@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccccc1 ZINC000021642140 558444456 /nfs/dbraw/zinc/44/44/56/558444456.db2.gz NKFAWNDKCRZRCI-HXUWFJFHSA-N 0 0 416.499 2.590 50 0 HFAARN COc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccco1 ZINC000004358576 558444659 /nfs/dbraw/zinc/44/46/59/558444659.db2.gz PEPBXWJDUFFAJG-CQSZACIVSA-N 0 0 414.487 2.923 50 0 HFAARN CC[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000012660328 558444726 /nfs/dbraw/zinc/44/47/26/558444726.db2.gz IPHUWOGMOAQEQH-ZOBUZTSGSA-N 0 0 403.523 2.815 50 0 HFAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000010777029 558444733 /nfs/dbraw/zinc/44/47/33/558444733.db2.gz XZAGUTLZMMXMAR-CYBMUJFWSA-N 0 0 417.483 2.965 50 0 HFAARN COc1ccccc1CNc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1 ZINC000004358538 558446834 /nfs/dbraw/zinc/44/68/34/558446834.db2.gz BSZOIIXRVTZDOT-UHFFFAOYSA-N 0 0 402.458 2.718 50 0 HFAARN COc1ccc(C(=O)NCc2csc(C)n2)cc1OC1CCN(C(C)=O)CC1 ZINC000012712830 558453629 /nfs/dbraw/zinc/45/36/29/558453629.db2.gz NMUHVWSIRTXPOA-UHFFFAOYSA-N 0 0 403.504 2.780 50 0 HFAARN C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000010794525 558454060 /nfs/dbraw/zinc/45/40/60/558454060.db2.gz LSFLAYVKYPDFEB-SECBINFHSA-N 0 0 417.270 2.825 50 0 HFAARN COCCNC(=O)CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000021897645 558454488 /nfs/dbraw/zinc/45/44/88/558454488.db2.gz GNOOHUAKCHWWJG-OAQYLSRUSA-N 0 0 409.486 2.916 50 0 HFAARN COc1cccc(CCC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000021904831 558455075 /nfs/dbraw/zinc/45/50/75/558455075.db2.gz RUKPRNHXUHUYQJ-UHFFFAOYSA-N 0 0 404.532 2.772 50 0 HFAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000012716642 558455483 /nfs/dbraw/zinc/45/54/83/558455483.db2.gz XSNYFLMQUPULKK-CYBMUJFWSA-N 0 0 412.895 2.772 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccccc2OC)C1 ZINC000012752914 558459378 /nfs/dbraw/zinc/45/93/78/558459378.db2.gz BLEACFHHSBKHCD-ZDUSSCGKSA-N 0 0 423.512 2.827 50 0 HFAARN COc1ccc(CN2CCN([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1OC ZINC000022095510 558463434 /nfs/dbraw/zinc/46/34/34/558463434.db2.gz UUSMPSMJNKXCFH-KRWDZBQOSA-N 0 0 417.575 2.630 50 0 HFAARN O=C(COc1ccccc1F)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000012788509 558464036 /nfs/dbraw/zinc/46/40/36/558464036.db2.gz AJKHHLWOEYOMTA-HNNXBMFYSA-N 0 0 411.433 2.649 50 0 HFAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012795822 558468676 /nfs/dbraw/zinc/46/86/76/558468676.db2.gz WZAREYDAOIAFII-UHFFFAOYSA-N 0 0 417.853 2.609 50 0 HFAARN C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012795919 558468906 /nfs/dbraw/zinc/46/89/06/558468906.db2.gz YARIFFHZMVQMDN-KRWDZBQOSA-N 0 0 419.522 2.863 50 0 HFAARN C[C@H](CC(=O)NCC(=O)Nc1ccccc1Br)NC(=O)c1ccccc1 ZINC000012813038 558474994 /nfs/dbraw/zinc/47/49/94/558474994.db2.gz XQUQMPAEDKDKLY-CYBMUJFWSA-N 0 0 418.291 2.712 50 0 HFAARN CCN(CC)C(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000012811714 558475023 /nfs/dbraw/zinc/47/50/23/558475023.db2.gz UGSUJABMVWYMBD-UHFFFAOYSA-N 0 0 407.514 2.544 50 0 HFAARN Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H](CCC(=O)N2CCOCC2)C1 ZINC000012835429 558478131 /nfs/dbraw/zinc/47/81/31/558478131.db2.gz GAYHJALQNXTLNQ-KRWDZBQOSA-N 0 0 408.926 2.905 50 0 HFAARN CNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC ZINC000012854380 558479885 /nfs/dbraw/zinc/47/98/85/558479885.db2.gz BOGOOQDDGPGIIG-UHFFFAOYSA-N 0 0 402.516 2.698 50 0 HFAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(N)=O ZINC000012854718 558480001 /nfs/dbraw/zinc/48/00/01/558480001.db2.gz SUBDRKXAFMMGLI-UHFFFAOYSA-N 0 0 422.304 2.992 50 0 HFAARN CCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000012865224 558481802 /nfs/dbraw/zinc/48/18/02/558481802.db2.gz CBGUIIDFTJUBEU-UHFFFAOYSA-N 0 0 409.552 2.598 50 0 HFAARN C[C@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2N1C(=O)c1ccccc1 ZINC000012867097 558481986 /nfs/dbraw/zinc/48/19/86/558481986.db2.gz JNFJXYIXSLHBLA-YJBOKZPZSA-N 0 0 400.500 2.735 50 0 HFAARN CC(C)CN(Cn1nc(-c2ccccc2F)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012889482 558483334 /nfs/dbraw/zinc/48/33/34/558483334.db2.gz GZKALCCDXYMANJ-AWEZNQCLSA-N 0 0 412.556 2.860 50 0 HFAARN CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCOCC1 ZINC000012937216 558486729 /nfs/dbraw/zinc/48/67/29/558486729.db2.gz OVUWHSNGAZIZHP-IBGZPJMESA-N 0 0 414.525 2.977 50 0 HFAARN CCCn1c(C)cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000004386397 558486913 /nfs/dbraw/zinc/48/69/13/558486913.db2.gz PEODYRKGPQETHQ-UHFFFAOYSA-N 0 0 403.845 2.709 50 0 HFAARN C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CN2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000012943942 558487624 /nfs/dbraw/zinc/48/76/24/558487624.db2.gz GPYNDMMXSRNUIP-LPHOPBHVSA-N 0 0 411.502 2.908 50 0 HFAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000012973839 558490216 /nfs/dbraw/zinc/49/02/16/558490216.db2.gz KZSOYMWHHUDCBC-UHFFFAOYSA-N 0 0 417.824 2.672 50 0 HFAARN COc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc(OC)c1OC ZINC000012985964 558495252 /nfs/dbraw/zinc/49/52/52/558495252.db2.gz JWCPFHDYLKHZPP-UHFFFAOYSA-N 0 0 417.491 2.670 50 0 HFAARN Nc1nc(COC(=O)c2cc3ccccc3c(=O)[nH]2)nc(Nc2ccc(F)cc2)n1 ZINC000012990761 558496641 /nfs/dbraw/zinc/49/66/41/558496641.db2.gz ZBZMMMVLZJTORA-UHFFFAOYSA-N 0 0 406.377 2.535 50 0 HFAARN CN(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1C(=O)NCc1ccco1 ZINC000013008612 558502767 /nfs/dbraw/zinc/50/27/67/558502767.db2.gz DOJWWCBEKTZHMS-UHFFFAOYSA-N 0 0 422.470 2.588 50 0 HFAARN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000022618131 558503055 /nfs/dbraw/zinc/50/30/55/558503055.db2.gz UHDFHASKMYXMMV-QRQLOZEOSA-N 0 0 406.548 2.796 50 0 HFAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)COCc2cccs2)C1=O ZINC000013012369 558503411 /nfs/dbraw/zinc/50/34/11/558503411.db2.gz MKCBEBKHZSDQJT-UTKZUKDTSA-N 0 0 400.500 2.582 50 0 HFAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000022653405 558503934 /nfs/dbraw/zinc/50/39/34/558503934.db2.gz ZNJIJBMKPWJZTD-UHFFFAOYSA-N 0 0 417.487 2.690 50 0 HFAARN CC(=O)N1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)CC1 ZINC000013057050 558508817 /nfs/dbraw/zinc/50/88/17/558508817.db2.gz ZUXZNUUWOWHFKL-IBGZPJMESA-N 0 0 414.893 2.775 50 0 HFAARN COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 ZINC000013117947 558516772 /nfs/dbraw/zinc/51/67/72/558516772.db2.gz UZQCNEZGVIGHND-GFCCVEGCSA-N 0 0 421.446 2.703 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(Cn3c(=O)oc4ccc(Cl)cc43)CC2)cc1 ZINC000022913252 558520207 /nfs/dbraw/zinc/52/02/07/558520207.db2.gz ISMXDYRPJGJZGU-UHFFFAOYSA-N 0 0 414.893 2.770 50 0 HFAARN COCCNc1c(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(C)n21 ZINC000064761340 558521018 /nfs/dbraw/zinc/52/10/18/558521018.db2.gz KNNJJXMZVOUNBA-UHFFFAOYSA-N 0 0 400.504 2.902 50 0 HFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)COc1ccc2c(c1)CCC2 ZINC000013160644 558524532 /nfs/dbraw/zinc/52/45/32/558524532.db2.gz CHCBLOYYTHMFFE-OAHLLOKOSA-N 0 0 408.454 2.861 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(CC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000022935068 558525999 /nfs/dbraw/zinc/52/59/99/558525999.db2.gz DPODPDOZBQBRJK-UHFFFAOYSA-N 0 0 414.937 2.521 50 0 HFAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCN(C)CC3)no2)cc1 ZINC000022938468 558527514 /nfs/dbraw/zinc/52/75/14/558527514.db2.gz UNSYCZGIHGJVAX-FQEVSTJZSA-N 0 0 424.501 2.970 50 0 HFAARN S=c1n(-c2ccccc2)cnn1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022941460 558527810 /nfs/dbraw/zinc/52/78/10/558527810.db2.gz IWVJQIXHYKIGBQ-UHFFFAOYSA-N 0 0 409.515 2.907 50 0 HFAARN CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 ZINC000010874384 558531248 /nfs/dbraw/zinc/53/12/48/558531248.db2.gz LYGMUVLAVFSRGM-INIZCTEOSA-N 0 0 421.592 2.870 50 0 HFAARN CCn1c2ccccc2n(CCC(=O)OCC(=O)c2cc(F)ccc2OC)c1=O ZINC000010877443 558532071 /nfs/dbraw/zinc/53/20/71/558532071.db2.gz GTJFALCITIGFPN-UHFFFAOYSA-N 0 0 400.406 2.787 50 0 HFAARN O=C(Nc1ccc(-n2cncn2)nc1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000023176967 558540375 /nfs/dbraw/zinc/54/03/75/558540375.db2.gz PGRCGENBGRGMFR-UHFFFAOYSA-N 0 0 400.324 2.514 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1F ZINC000013590994 558545915 /nfs/dbraw/zinc/54/59/15/558545915.db2.gz DSVCSZTWDQSWBX-ZPBCLNFZSA-N 0 0 422.481 2.937 50 0 HFAARN CC[S@](=O)c1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023292074 558547906 /nfs/dbraw/zinc/54/79/06/558547906.db2.gz OGHCTEAHNBEZRV-DBDZUICISA-N 0 0 403.456 2.769 50 0 HFAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CSCN1C(=O)[C@H]1CCC(=O)N1 ZINC000013610151 558548538 /nfs/dbraw/zinc/54/85/38/558548538.db2.gz NBWSOBPPEYUUFO-QZTJIDSGSA-N 0 0 411.483 2.598 50 0 HFAARN CCN1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 ZINC000013611699 558548737 /nfs/dbraw/zinc/54/87/37/558548737.db2.gz UUISCHRTVBITKG-QGZVFWFLSA-N 0 0 410.518 2.857 50 0 HFAARN COC(=O)c1c2c(sc1NC(=O)N1CCN(C(=O)C(C)C)CC1)COC(C)(C)C2 ZINC000013624399 558550607 /nfs/dbraw/zinc/55/06/07/558550607.db2.gz BQGIIKSMWMPNMX-UHFFFAOYSA-N 0 0 423.535 2.718 50 0 HFAARN Nc1nc(COC(=O)Cc2cnn(-c3ccccc3)c2)nc(Nc2ccc(F)cc2)n1 ZINC000023345456 558550850 /nfs/dbraw/zinc/55/08/50/558550850.db2.gz LSZORFMAAYUDMO-UHFFFAOYSA-N 0 0 419.420 2.808 50 0 HFAARN NC(=O)C1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)CC1 ZINC000013628260 558551493 /nfs/dbraw/zinc/55/14/93/558551493.db2.gz IDTNNRVXVUPSGV-HOCLYGCPSA-N 0 0 421.423 2.881 50 0 HFAARN NC(=O)C1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)CC1 ZINC000013628263 558551575 /nfs/dbraw/zinc/55/15/75/558551575.db2.gz IDTNNRVXVUPSGV-GDBMZVCRSA-N 0 0 421.423 2.881 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1cccc(F)c1)CC2 ZINC000013629518 558552032 /nfs/dbraw/zinc/55/20/32/558552032.db2.gz RTSGJERCUNWNSY-UHFFFAOYSA-N 0 0 401.438 2.939 50 0 HFAARN C[C@H](Sc1nnc(CC(=O)Nc2ccccc2F)n1C)C(=O)Nc1cccnc1 ZINC000072191630 558563298 /nfs/dbraw/zinc/56/32/98/558563298.db2.gz NXZFSAGITJHDIY-LBPRGKRZSA-N 0 0 414.466 2.650 50 0 HFAARN CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCc3ccccc3)cc1O2 ZINC000013681906 558567083 /nfs/dbraw/zinc/56/70/83/558567083.db2.gz YCJMYZAXPBLOEV-UHFFFAOYSA-N 0 0 422.481 2.728 50 0 HFAARN CCCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000013682833 558567644 /nfs/dbraw/zinc/56/76/44/558567644.db2.gz GGQVQJGWUWLSMU-KRWDZBQOSA-N 0 0 404.898 2.981 50 0 HFAARN CC(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013690839 558572743 /nfs/dbraw/zinc/57/27/43/558572743.db2.gz IRTCKQRKRYMLLJ-FQEVSTJZSA-N 0 0 409.471 2.699 50 0 HFAARN COc1cc2cc(C(=O)NCCC(=O)Nc3ncc(C)s3)[nH]c2c(OC)c1OC ZINC000013693278 558574641 /nfs/dbraw/zinc/57/46/41/558574641.db2.gz VJOQUYBOJWCEFM-UHFFFAOYSA-N 0 0 418.475 2.717 50 0 HFAARN O=C(CSc1ncnc2sccc21)NCC1(N2CCOCC2)CCCCC1 ZINC000023763770 558575403 /nfs/dbraw/zinc/57/54/03/558575403.db2.gz HDSULNDEQLSQML-UHFFFAOYSA-N 0 0 406.577 2.935 50 0 HFAARN CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715675 558579066 /nfs/dbraw/zinc/57/90/66/558579066.db2.gz DYPXMYLSWUNZNF-SFHVURJKSA-N 0 0 407.467 2.967 50 0 HFAARN CCn1c2ccccc2n(CCC(=O)N[C@@H](CC(=O)OC)c2ccc(C)cc2)c1=O ZINC000023873666 558579624 /nfs/dbraw/zinc/57/96/24/558579624.db2.gz XRNBPIVZVQLSML-SFHVURJKSA-N 0 0 409.486 2.942 50 0 HFAARN COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC(F)F ZINC000024045764 558586300 /nfs/dbraw/zinc/58/63/00/558586300.db2.gz XARGPVQAWBKUSX-UHFFFAOYSA-N 0 0 420.412 2.983 50 0 HFAARN COc1ccc(OCCN2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000024061006 558587122 /nfs/dbraw/zinc/58/71/22/558587122.db2.gz ODKGSZHOVIZVLN-UHFFFAOYSA-N 0 0 408.502 2.727 50 0 HFAARN CN(C)c1ccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)cc1 ZINC000013732783 558587325 /nfs/dbraw/zinc/58/73/25/558587325.db2.gz RTRXGQNQSLULPY-GMAHTHKFSA-N 0 0 423.538 2.997 50 0 HFAARN O=C(COc1ccccc1)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000013734222 558587746 /nfs/dbraw/zinc/58/77/46/558587746.db2.gz QBKSWUSBJBVGEJ-QGZVFWFLSA-N 0 0 411.483 2.927 50 0 HFAARN O=C(CN1CCN(c2ccccc2)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000024193331 558591702 /nfs/dbraw/zinc/59/17/02/558591702.db2.gz QJUIPVHSAJGIQF-UHFFFAOYSA-N 0 0 412.965 2.806 50 0 HFAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000032752832 558595999 /nfs/dbraw/zinc/59/59/99/558595999.db2.gz MHQYFSMWSFIZIS-SFHVURJKSA-N 0 0 413.503 2.606 50 0 HFAARN CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000024379650 558596512 /nfs/dbraw/zinc/59/65/12/558596512.db2.gz MGESZJBWWOOVPB-UHFFFAOYSA-N 0 0 417.550 2.782 50 0 HFAARN CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2cccc(OC)c2o1 ZINC000013856336 558598150 /nfs/dbraw/zinc/59/81/50/558598150.db2.gz KRYFNZCFBYUNAB-UHFFFAOYSA-N 0 0 402.476 2.671 50 0 HFAARN Cc1cn2c(CN(C)c3ccc(S(=O)(=O)N4CCCC4)cn3)c(C)nc2s1 ZINC000024527974 558600021 /nfs/dbraw/zinc/60/00/21/558600021.db2.gz PJUVPSOXHPBYAT-UHFFFAOYSA-N 0 0 405.549 2.829 50 0 HFAARN COc1ccc(OCCN2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000024527806 558600051 /nfs/dbraw/zinc/60/00/51/558600051.db2.gz HQUUKISGBFDQRK-UHFFFAOYSA-N 0 0 406.486 2.922 50 0 HFAARN Cc1nc2ccccc2n1CCNC(=O)NCc1ccccc1CN1CCOCC1 ZINC000024572802 558601478 /nfs/dbraw/zinc/60/14/78/558601478.db2.gz LCZVNBCDEHIDSC-UHFFFAOYSA-N 0 0 407.518 2.676 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 ZINC000004479199 558601810 /nfs/dbraw/zinc/60/18/10/558601810.db2.gz VRPXUJGUTVJJPN-UHFFFAOYSA-N 0 0 403.442 2.846 50 0 HFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)NCCc2ccccc2)c3=O)c(C)c1 ZINC000004479281 558601940 /nfs/dbraw/zinc/60/19/40/558601940.db2.gz MOGBLXMYGWIJSD-UHFFFAOYSA-N 0 0 401.470 2.558 50 0 HFAARN O=C(NCCSCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606800 558602805 /nfs/dbraw/zinc/60/28/05/558602805.db2.gz XIIHLUUXRONTBN-CQSZACIVSA-N 0 0 414.574 2.791 50 0 HFAARN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607440 558602892 /nfs/dbraw/zinc/60/28/92/558602892.db2.gz NYNHDTVDJARRFA-UHFFFAOYSA-N 0 0 416.971 2.813 50 0 HFAARN CCOc1ccc(N2C(=O)N(Cc3cccc(F)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000004483950 558603248 /nfs/dbraw/zinc/60/32/48/558603248.db2.gz 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O=C(CNC(=O)c1ccccc1Cl)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014020517 558614127 /nfs/dbraw/zinc/61/41/27/558614127.db2.gz WDUIQRAECYDMHY-UHFFFAOYSA-N 0 0 412.877 2.577 50 0 HFAARN Cc1cccc2c(=O)n(CCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cnc12 ZINC000024838962 558616652 /nfs/dbraw/zinc/61/66/52/558616652.db2.gz NGFJTLAMMKOABW-UHFFFAOYSA-N 0 0 412.877 2.846 50 0 HFAARN Cc1ccccc1-c1nnn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000014094926 558619734 /nfs/dbraw/zinc/61/97/34/558619734.db2.gz KDBQOSJYLFVWAM-GOSISDBHSA-N 0 0 405.458 2.783 50 0 HFAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccnn3Cc3ccccc3)ccc21 ZINC000024926791 558621011 /nfs/dbraw/zinc/62/10/11/558621011.db2.gz OSSCUNSBWSPRFA-UHFFFAOYSA-N 0 0 410.499 2.896 50 0 HFAARN O=C(CSc1nc2ccccc2c(=O)n1CCCc1ccccc1)N1CCNC1=O ZINC000024963229 558622485 /nfs/dbraw/zinc/62/24/85/558622485.db2.gz YROMEUKVIVCNGA-UHFFFAOYSA-N 0 0 422.510 2.673 50 0 HFAARN COc1ccc([C@H](CNC(=O)CN2CSCC2=O)c2c[nH]c3ccccc32)cc1 ZINC000024975059 558623532 /nfs/dbraw/zinc/62/35/32/558623532.db2.gz GPGLZPMQUXJIKK-SFHVURJKSA-N 0 0 409.511 2.958 50 0 HFAARN CCOc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000024975857 558623572 /nfs/dbraw/zinc/62/35/72/558623572.db2.gz ONHWWJPYAFCWFJ-UHFFFAOYSA-N 0 0 403.504 2.920 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 ZINC000014142089 558625229 /nfs/dbraw/zinc/62/52/29/558625229.db2.gz YCQUKULVBTZIIQ-UHFFFAOYSA-N 0 0 417.531 2.595 50 0 HFAARN COC(=O)c1ccc(OCCN2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000024990465 558625876 /nfs/dbraw/zinc/62/58/76/558625876.db2.gz IYUZMWJLGKTASX-UHFFFAOYSA-N 0 0 404.216 2.911 50 0 HFAARN CN(CCCC(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000014160411 558626083 /nfs/dbraw/zinc/62/60/83/558626083.db2.gz QSQOVFKHUBQREP-GOSISDBHSA-N 0 0 406.479 2.866 50 0 HFAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3n2CC(C)C)C1=O ZINC000025057768 558629258 /nfs/dbraw/zinc/62/92/58/558629258.db2.gz IQRDSZQXLUMYNX-LJQANCHMSA-N 0 0 403.508 2.536 50 0 HFAARN O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1)N1CCCCCC1 ZINC000069930250 558630374 /nfs/dbraw/zinc/63/03/74/558630374.db2.gz CGWRYNXCJKFNSX-WOJBJXKFSA-N 0 0 403.954 2.990 50 0 HFAARN CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(=O)OC)c3cccs3)CC2=O)cc1 ZINC000025086907 558631088 /nfs/dbraw/zinc/63/10/88/558631088.db2.gz ILHCAPGCQNZCAC-YOEHRIQHSA-N 0 0 416.499 2.920 50 0 HFAARN COC(=O)c1n[nH]c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cc21 ZINC000025083033 558631116 /nfs/dbraw/zinc/63/11/16/558631116.db2.gz UUIYFBYVNZYMSG-GFCCVEGCSA-N 0 0 412.471 2.902 50 0 HFAARN COc1cc([C@@]2(C)NC(=O)N(CN(C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000014188789 558632070 /nfs/dbraw/zinc/63/20/70/558632070.db2.gz FTYLPWJOEDVOSQ-JOCHJYFZSA-N 0 0 413.474 2.569 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000014189505 558632255 /nfs/dbraw/zinc/63/22/55/558632255.db2.gz VNULMLBURRLURI-UHFFFAOYSA-N 0 0 424.573 2.983 50 0 HFAARN CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1OCC ZINC000004515256 558632661 /nfs/dbraw/zinc/63/26/61/558632661.db2.gz PCZUSJOPIZEFOY-LHSJRXKWSA-N 0 0 403.479 2.923 50 0 HFAARN CCn1c2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cc2[nH]c(=O)c1=O ZINC000014197412 558634058 /nfs/dbraw/zinc/63/40/58/558634058.db2.gz TZPQSGCGYXBLCD-UHFFFAOYSA-N 0 0 407.348 2.538 50 0 HFAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000014199723 558635731 /nfs/dbraw/zinc/63/57/31/558635731.db2.gz HAPPGSCAWAZGFI-INIZCTEOSA-N 0 0 416.861 2.953 50 0 HFAARN CC(C)[C@H](CNC(=O)c1ccc(Cn2nnc3ccccc32)cc1)N1CCOCC1 ZINC000025327454 558638101 /nfs/dbraw/zinc/63/81/01/558638101.db2.gz XMKPMKRKDMUUBV-QFIPXVFZSA-N 0 0 407.518 2.566 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000014227495 558638986 /nfs/dbraw/zinc/63/89/86/558638986.db2.gz YEGBHQDMFDPMTA-CYBMUJFWSA-N 0 0 408.911 2.641 50 0 HFAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014231358 558640089 /nfs/dbraw/zinc/64/00/89/558640089.db2.gz HFWCZZCAKDKJFA-OAQYLSRUSA-N 0 0 412.555 2.540 50 0 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HFAARN COc1ccc(OC)c(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000011997075 559270197 /nfs/dbraw/zinc/27/01/97/559270197.db2.gz MDEAZSRDIWBVPK-ZDUSSCGKSA-N 0 0 407.492 2.636 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000011997124 559270209 /nfs/dbraw/zinc/27/02/09/559270209.db2.gz FFSOGAREPRXTQD-MRXNPFEDSA-N 0 0 404.492 2.577 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N[C@H](CC)C(=O)NC)csc3C2)nc1 ZINC000426536233 559274665 /nfs/dbraw/zinc/27/46/65/559274665.db2.gz FMUZYEBCCNQZIV-GOSISDBHSA-N 0 0 400.548 2.518 50 0 HFAARN CN(C)C(=O)[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000252486911 559277583 /nfs/dbraw/zinc/27/75/83/559277583.db2.gz OAVXFJLFGPXSRB-OTWHNJEPSA-N 0 0 403.429 2.924 50 0 HFAARN Cc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 ZINC000253387496 559280184 /nfs/dbraw/zinc/28/01/84/559280184.db2.gz ZHUIUFXUGYVAPI-JOZSIVFUSA-N 0 0 422.525 2.974 50 0 HFAARN CCOC(=O)c1cnc2c(C)cc(Br)cc2c1N1CC[C@H](C(N)=O)C1 ZINC000050930258 559281525 /nfs/dbraw/zinc/28/15/25/559281525.db2.gz HENFCVVNCOOZEM-NSHDSACASA-N 0 0 406.280 2.794 50 0 HFAARN Cc1cccc2sc(N3CCN(C(=O)CS(=O)(=O)c4ccccc4)CC3)nc21 ZINC000005181521 559289772 /nfs/dbraw/zinc/28/97/72/559289772.db2.gz ZCZAWMJXVMZRMO-UHFFFAOYSA-N 0 0 415.540 2.727 50 0 HFAARN CC[C@@H](Sc1nc2c(nc[nH]c2=O)n1C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000019625809 560094226 /nfs/dbraw/zinc/09/42/26/560094226.db2.gz FEHHMSNGWJVOJR-GFCCVEGCSA-N 0 0 407.883 2.828 50 0 biogenic,in-vitro HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc(C)c(C)s3)n2)cc1OC ZINC000061720893 560536410 /nfs/dbraw/zinc/53/64/10/560536410.db2.gz RQOCYELOFQITHV-UHFFFAOYSA-N 0 0 400.460 2.640 50 0 HFAARN COc1ccc(-c2cc(C(=O)N3CCN4C(=O)NC[C@@H]4C3)c3ccccc3n2)cc1 ZINC000079026081 560541391 /nfs/dbraw/zinc/54/13/91/560541391.db2.gz QHBWNYLIZJBXHL-MRXNPFEDSA-N 0 0 402.454 2.760 50 0 HFAARN COc1cc(Br)c(NC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1OC ZINC000079023462 560541403 /nfs/dbraw/zinc/54/14/03/560541403.db2.gz FPSRWNCKNQFROO-UHFFFAOYSA-N 0 0 411.256 2.821 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c1C ZINC000005231452 560547755 /nfs/dbraw/zinc/54/77/55/560547755.db2.gz KSCKOBNQKTYPET-FQEVSTJZSA-N 0 0 403.385 2.762 50 0 HFAARN CCOC(=O)CCNC(=O)N1CCn2cccc2[C@H]1c1cc(OC)ccc1OC ZINC000005256347 560552599 /nfs/dbraw/zinc/55/25/99/560552599.db2.gz MZWIANFIUZRNPL-HXUWFJFHSA-N 0 0 401.463 2.573 50 0 HFAARN CCc1ccc2nc(N(Cc3ccccn3)C(=O)CN3C(=O)CCC3=O)sc2c1 ZINC000005265092 560553392 /nfs/dbraw/zinc/55/33/92/560553392.db2.gz JLFVUFSLFOCIHR-UHFFFAOYSA-N 0 0 408.483 2.936 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1 ZINC000206242302 560555310 /nfs/dbraw/zinc/55/53/10/560555310.db2.gz SFAZVODXQLZLAY-HXUWFJFHSA-N 0 0 418.453 2.735 50 0 HFAARN COc1cc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)ccc1OCC(N)=O ZINC000096635193 560560141 /nfs/dbraw/zinc/56/01/41/560560141.db2.gz AHXATHBCISXYMX-RIYZIHGNSA-N 0 0 418.352 2.505 50 0 HFAARN CCOc1ccccc1-n1c(=O)[nH]c2c1nc(-c1cccc(Cl)c1)nc2C(N)=O ZINC000005271223 560560892 /nfs/dbraw/zinc/56/08/92/560560892.db2.gz IYWJGZOMYUDONQ-UHFFFAOYSA-N 0 0 409.833 2.927 50 0 HFAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)cc1 ZINC000005298235 560562513 /nfs/dbraw/zinc/56/25/13/560562513.db2.gz RZCCZQGKOYWZPO-UHFFFAOYSA-N 0 0 410.426 2.931 50 0 HFAARN NC(=O)c1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000005305076 560563175 /nfs/dbraw/zinc/56/31/75/560563175.db2.gz GPUWSFODGZCHIJ-UHFFFAOYSA-N 0 0 416.412 2.935 50 0 HFAARN Cc1cc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nc2c(C)cccc12 ZINC000005310930 560564111 /nfs/dbraw/zinc/56/41/11/560564111.db2.gz VVLOCUIAZPBASL-UHFFFAOYSA-N 0 0 409.515 2.781 50 0 HFAARN CC1CCN(c2ncc3c(ncn(CC(=O)Nc4cccc(Cl)c4)c3=O)n2)CC1 ZINC000062006732 560565964 /nfs/dbraw/zinc/56/59/64/560565964.db2.gz YTYGYMDWEMANEA-UHFFFAOYSA-N 0 0 412.881 2.715 50 0 HFAARN O=C(C1CN(c2nc3c(cccc3F)s2)C1)N1CCN(c2ccccc2O)CC1 ZINC000062023152 560567592 /nfs/dbraw/zinc/56/75/92/560567592.db2.gz SDXGVUWYKWZWJB-UHFFFAOYSA-N 0 0 412.490 2.926 50 0 HFAARN Cc1c(C)c(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCN3CCCC3=O)ccc12 ZINC000005321581 560568215 /nfs/dbraw/zinc/56/82/15/560568215.db2.gz TZMLXJZCQLSTIH-INIZCTEOSA-N 0 0 400.475 2.614 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)o2)c(OC)c1 ZINC000005392052 560582481 /nfs/dbraw/zinc/58/24/81/560582481.db2.gz HSDQPYRUSXBWQN-UHFFFAOYSA-N 0 0 406.464 2.614 50 0 HFAARN COc1ccc(/C=C(/NC(=O)c2ccc(OCC(C)C)cc2)C(=O)NCCO)cc1 ZINC000002275540 560585286 /nfs/dbraw/zinc/58/52/86/560585286.db2.gz ZLRIKXVNHSCTRX-KGENOOAVSA-N 0 0 412.486 2.609 50 0 HFAARN C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc2c(c1)OCCO2)OCCCO3 ZINC000005427818 560585785 /nfs/dbraw/zinc/58/57/85/560585785.db2.gz KDHVHXUKVUCESP-CQSZACIVSA-N 0 0 417.483 2.927 50 0 HFAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H](C)N1C(=O)c3ccccc3C1=O)CC2 ZINC000005427876 560585789 /nfs/dbraw/zinc/58/57/89/560585789.db2.gz WKXDVFJNRLUXIJ-UONOGXRCSA-N 0 0 408.454 2.834 50 0 biogenic HFAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000005428031 560585922 /nfs/dbraw/zinc/58/59/22/560585922.db2.gz VOYYLJWGBMBJAP-UHFFFAOYSA-N 0 0 411.382 2.681 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000005428078 560585927 /nfs/dbraw/zinc/58/59/27/560585927.db2.gz JRWSIDMSHXGIAF-UHFFFAOYSA-N 0 0 419.441 2.587 50 0 HFAARN CCCn1nc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2c1=O ZINC000002618966 560585933 /nfs/dbraw/zinc/58/59/33/560585933.db2.gz FZPKLVLUAFDGRY-UHFFFAOYSA-N 0 0 417.469 2.857 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005438303 560586920 /nfs/dbraw/zinc/58/69/20/560586920.db2.gz JPPJKYDXHXRHJL-UHFFFAOYSA-N 0 0 404.532 2.595 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1C ZINC000005443731 560587830 /nfs/dbraw/zinc/58/78/30/560587830.db2.gz VXGWZRLTIHBPII-SFHVURJKSA-N 0 0 404.488 2.804 50 0 HFAARN CSCC[C@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)c1nnc2ccccn21 ZINC000005451636 560589185 /nfs/dbraw/zinc/58/91/85/560589185.db2.gz XSGBNNCUAFHVMW-INIZCTEOSA-N 0 0 404.517 2.705 50 0 HFAARN CC(C)OC(=O)c1c2c(sc1NC(=O)COC(=O)c1cnccn1)CCCC2 ZINC000005469565 560592513 /nfs/dbraw/zinc/59/25/13/560592513.db2.gz LEESDQHZNULGIC-UHFFFAOYSA-N 0 0 403.460 2.778 50 0 HFAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)n1N ZINC000003368386 560593155 /nfs/dbraw/zinc/59/31/55/560593155.db2.gz CDWUNPUIUXUODU-UHFFFAOYSA-N 0 0 409.393 2.816 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C ZINC000003381077 560593964 /nfs/dbraw/zinc/59/39/64/560593964.db2.gz CUGNZNROPCUBIJ-UHFFFAOYSA-N 0 0 413.398 2.870 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000003486249 560595747 /nfs/dbraw/zinc/59/57/47/560595747.db2.gz CJELWZSEYZUUSA-UHFFFAOYSA-N 0 0 414.842 2.525 50 0 HFAARN Cc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003522771 560596112 /nfs/dbraw/zinc/59/61/12/560596112.db2.gz LCUDZTMZTQMAQT-LBPRGKRZSA-N 0 0 402.428 2.573 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003551961 560596464 /nfs/dbraw/zinc/59/64/64/560596464.db2.gz NPKBMDSCMWTEDJ-UHFFFAOYSA-N 0 0 424.906 2.930 50 0 HFAARN COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000003608064 560596869 /nfs/dbraw/zinc/59/68/69/560596869.db2.gz NRKJNEOVRYSRFX-YCRREMRBSA-N 0 0 420.462 2.507 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncnc2ccccc21 ZINC000005505353 560598768 /nfs/dbraw/zinc/59/87/68/560598768.db2.gz RMQDKNNSZONXHZ-UHFFFAOYSA-N 0 0 416.528 2.919 50 0 HFAARN CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000005536606 560606377 /nfs/dbraw/zinc/60/63/77/560606377.db2.gz SOPXRRGMXUIIRD-UHFFFAOYSA-N 0 0 413.854 2.698 50 0 HFAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Cc2ccccc2)n1C ZINC000005530561 560606959 /nfs/dbraw/zinc/60/69/59/560606959.db2.gz ZMZNRXSMTZBZSN-LJQANCHMSA-N 0 0 408.527 2.815 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 ZINC000005553314 560608732 /nfs/dbraw/zinc/60/87/32/560608732.db2.gz SKQFEJBCBLWRSW-NRFANRHFSA-N 0 0 409.511 2.596 50 0 HFAARN CCCCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000005568923 560616462 /nfs/dbraw/zinc/61/64/62/560616462.db2.gz XNAFLTDZPCWPNO-SNVBAGLBSA-N 0 0 400.262 2.762 50 0 HFAARN C[C@H](NC(=O)COC(=O)CSCC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000005571218 560623491 /nfs/dbraw/zinc/62/34/91/560623491.db2.gz FBPVNSNKECMMJE-INIZCTEOSA-N 0 0 406.548 2.931 50 0 HFAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 ZINC000005577693 560624850 /nfs/dbraw/zinc/62/48/50/560624850.db2.gz POGZCWYUUHMNTJ-OAHLLOKOSA-N 0 0 415.467 2.832 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000005511855 560626840 /nfs/dbraw/zinc/62/68/40/560626840.db2.gz WTSTUPOJLFHQFI-UHFFFAOYSA-N 0 0 409.895 2.866 50 0 HFAARN C[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c2ccccc2S1 ZINC000005628551 560634653 /nfs/dbraw/zinc/63/46/53/560634653.db2.gz CRGNCNDMUNFDSQ-ZDUSSCGKSA-N 0 0 401.488 2.637 50 0 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CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc(Br)c1)CC(=O)N2 ZINC000046073888 568426645 /nfs/dbraw/zinc/42/66/45/568426645.db2.gz BGGAPBSCDHYOES-SNVBAGLBSA-N 0 0 423.292 2.709 50 0 HFAARN Cc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 ZINC000046145083 568430415 /nfs/dbraw/zinc/43/04/15/568430415.db2.gz WUTWNDNCWSBURX-QGZVFWFLSA-N 0 0 402.516 2.732 50 0 HFAARN COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H](C)Cn2ccnc2)C[C@@H]2CCCC[C@@H]21 ZINC000048128966 568432036 /nfs/dbraw/zinc/43/20/36/568432036.db2.gz SHTLINSDPSNVNV-UMGGQSCQSA-N 0 0 410.518 2.870 50 0 HFAARN CCN(CC)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)cn1 ZINC000048235063 568432724 /nfs/dbraw/zinc/43/27/24/568432724.db2.gz UNSQFZSNDLNBNG-UHFFFAOYSA-N 0 0 422.576 2.704 50 0 HFAARN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000048263453 568433785 /nfs/dbraw/zinc/43/37/85/568433785.db2.gz RQCCNZULYZRRDH-SFTDATJTSA-N 0 0 421.497 2.898 50 0 HFAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)C(=O)NCC(F)(F)F)c12 ZINC000048272019 568434026 /nfs/dbraw/zinc/43/40/26/568434026.db2.gz IMYPCAGPWWTLQH-LLVKDONJSA-N 0 0 406.364 2.995 50 0 HFAARN CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000048287140 568434545 /nfs/dbraw/zinc/43/45/45/568434545.db2.gz VZBAKRBIDGSBRU-OAHLLOKOSA-N 0 0 408.545 2.729 50 0 HFAARN CN(C)c1nc(Cl)c([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)s1 ZINC000048310462 568436693 /nfs/dbraw/zinc/43/66/93/568436693.db2.gz ICSHZINZSZKKOB-AWEZNQCLSA-N 0 0 419.898 2.870 50 0 HFAARN Cc1cccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2C)n1 ZINC000048302991 568437759 /nfs/dbraw/zinc/43/77/59/568437759.db2.gz PSLZRYGDONZYNC-UHFFFAOYSA-N 0 0 412.309 2.768 50 0 HFAARN CCOC(=O)NCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000048340033 568440225 /nfs/dbraw/zinc/44/02/25/568440225.db2.gz LVZUCFGJPUQHRQ-UHFFFAOYSA-N 0 0 405.495 2.945 50 0 HFAARN Cn1ccnc1[C@@](O)(CC(=O)NCc1coc(-c2cccs2)n1)C(F)(F)F ZINC000048364606 568441988 /nfs/dbraw/zinc/44/19/88/568441988.db2.gz XQMJZCFAYZBOTC-HNNXBMFYSA-N 0 0 400.382 2.593 50 0 HFAARN O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)N1CCc2ccccc21 ZINC000012230907 568443062 /nfs/dbraw/zinc/44/30/62/568443062.db2.gz WZBBPMQTEBIYTM-UHFFFAOYSA-N 0 0 408.429 2.648 50 0 HFAARN CCc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)NCc1cccc(OC)c1)CC3 ZINC000049003274 568446286 /nfs/dbraw/zinc/44/62/86/568446286.db2.gz GNYVQQSZDUNGMF-UHFFFAOYSA-N 0 0 405.498 2.774 50 0 HFAARN O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1cccc2ncccc21 ZINC000049390880 568447285 /nfs/dbraw/zinc/44/72/85/568447285.db2.gz JUEAECLXUOJLGE-UHFFFAOYSA-N 0 0 404.426 2.887 50 0 HFAARN CC(C)c1ccc(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)cc1 ZINC000049399798 568447373 /nfs/dbraw/zinc/44/73/73/568447373.db2.gz XEWOFTWLKROGBM-MRXNPFEDSA-N 0 0 408.506 2.889 50 0 HFAARN Cc1cccc(N2CCN(c3ncc(C(=O)NCc4ccccc4F)c(N)n3)CC2)c1 ZINC000049401534 568447803 /nfs/dbraw/zinc/44/78/03/568447803.db2.gz WJQHSWJZBDBSIV-UHFFFAOYSA-N 0 0 420.492 2.763 50 0 HFAARN COc1ccc(-c2noc(-c3ccc(SCC(=O)N4CCOCC4)nc3)n2)cc1 ZINC000049405699 568448708 /nfs/dbraw/zinc/44/87/08/568448708.db2.gz UJDPKKWVMJVFSQ-UHFFFAOYSA-N 0 0 412.471 2.758 50 0 HFAARN COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)CC1 ZINC000049405983 568448796 /nfs/dbraw/zinc/44/87/96/568448796.db2.gz OINWAKOTPWXYQN-UHFFFAOYSA-N 0 0 419.485 2.619 50 0 HFAARN O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(Cl)cc1 ZINC000049409261 568449548 /nfs/dbraw/zinc/44/95/48/568449548.db2.gz FZCPCTKBQUTWCD-UHFFFAOYSA-N 0 0 423.922 2.705 50 0 HFAARN Cc1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c1C ZINC000049409085 568449566 /nfs/dbraw/zinc/44/95/66/568449566.db2.gz ZPCSUJZQHFBSAV-UHFFFAOYSA-N 0 0 417.531 2.524 50 0 HFAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CC=C(c3ccccc3)CC2)c1=O ZINC000049409838 568449796 /nfs/dbraw/zinc/44/97/96/568449796.db2.gz GVKJILSVFNYMEW-UHFFFAOYSA-N 0 0 410.499 2.876 50 0 HFAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCC(Cc3ccccc3)CC2)c1=O ZINC000049409810 568449825 /nfs/dbraw/zinc/44/98/25/568449825.db2.gz IQTMBSFPTMOLAS-UHFFFAOYSA-N 0 0 412.515 2.651 50 0 HFAARN O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)Nc1cc(F)ccc1F ZINC000049410790 568450021 /nfs/dbraw/zinc/45/00/21/568450021.db2.gz PAHFTHCAWHPHMR-UHFFFAOYSA-N 0 0 414.347 2.691 50 0 HFAARN O=C([C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1)N1CCOCC1 ZINC000049421362 568450601 /nfs/dbraw/zinc/45/06/01/568450601.db2.gz VKPNJBGOQLESAS-INIZCTEOSA-N 0 0 424.526 2.727 50 0 HFAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1 ZINC000049544197 568451206 /nfs/dbraw/zinc/45/12/06/568451206.db2.gz KNBKQMQUCHOZBZ-UHFFFAOYSA-N 0 0 409.511 3.000 50 0 HFAARN CN(CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000049574732 568452196 /nfs/dbraw/zinc/45/21/96/568452196.db2.gz GVKAQKMACBWMJH-GHTZIAJQSA-N 0 0 416.543 2.805 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2cccc(C)c2)n1 ZINC000012231698 568453835 /nfs/dbraw/zinc/45/38/35/568453835.db2.gz SKLRYFVLSQGTRC-UHFFFAOYSA-N 0 0 420.517 2.712 50 0 HFAARN Cc1nn(-c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n2C(C)C)c(C)c1C ZINC000012231996 568454085 /nfs/dbraw/zinc/45/40/85/568454085.db2.gz FZYWWXRVTYOTQI-UHFFFAOYSA-N 0 0 420.517 2.945 50 0 HFAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCc1cccs1 ZINC000012233064 568454318 /nfs/dbraw/zinc/45/43/18/568454318.db2.gz VJNYOAHPBUPHSG-CQSZACIVSA-N 0 0 423.523 2.997 50 0 HFAARN COc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)CCc2ccccc2)c3=O)cc1 ZINC000012233980 568454712 /nfs/dbraw/zinc/45/47/12/568454712.db2.gz SHSQMNZCVASARR-MRXNPFEDSA-N 0 0 419.485 2.550 50 0 HFAARN C[C@@H](CCc1ccccc1)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 ZINC000012234326 568454982 /nfs/dbraw/zinc/45/49/82/568454982.db2.gz OWVDVQYPIGYDOF-HNNXBMFYSA-N 0 0 407.449 2.680 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000664134 568460312 /nfs/dbraw/zinc/46/03/12/568460312.db2.gz JXSVTGAZESIWFK-ZDUSSCGKSA-N 0 0 412.225 2.697 50 0 HFAARN Cc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)o1 ZINC000012302913 568464226 /nfs/dbraw/zinc/46/42/26/568464226.db2.gz SUCQQCXKKJDNBE-SFHVURJKSA-N 0 0 407.536 2.779 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3c4ccccc4oc3c1=O)CC2 ZINC000007007062 568467168 /nfs/dbraw/zinc/46/71/68/568467168.db2.gz XJOYATNFVOSCFP-UHFFFAOYSA-N 0 0 419.437 2.745 50 0 HFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000024819755 568467225 /nfs/dbraw/zinc/46/72/25/568467225.db2.gz QIYQZULIYMISOR-UHFFFAOYSA-N 0 0 419.201 2.762 50 0 HFAARN COc1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)c(OC)c1 ZINC000012324728 568471940 /nfs/dbraw/zinc/47/19/40/568471940.db2.gz OCQVUMJNWGYAIQ-UHFFFAOYSA-N 0 0 409.417 2.851 50 0 HFAARN CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1 ZINC000000755465 568472433 /nfs/dbraw/zinc/47/24/33/568472433.db2.gz ILFCZPOFHXAQBN-UHFFFAOYSA-N 0 0 417.556 2.994 50 0 HFAARN Cc1csc(=O)n1CCSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000022385832 568484584 /nfs/dbraw/zinc/48/45/84/568484584.db2.gz WOYQMPPQANSEAE-UHFFFAOYSA-N 0 0 402.545 2.786 50 0 HFAARN CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000022513373 568487286 /nfs/dbraw/zinc/48/72/86/568487286.db2.gz ITSSUFLNJUQDBQ-WBVHZDCISA-N 0 0 410.536 2.552 50 0 HFAARN O=C(c1nccc2ccccc21)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390829534 568493653 /nfs/dbraw/zinc/49/36/53/568493653.db2.gz FDEJEBYBKIHPLK-UHFFFAOYSA-N 0 0 401.426 2.523 50 0 HFAARN CCOc1ccccc1S(=O)(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831658 568495731 /nfs/dbraw/zinc/49/57/31/568495731.db2.gz TXWAIWJDFANUMA-GOSISDBHSA-N 0 0 409.529 2.636 50 0 HFAARN O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)NCc1ccco1 ZINC000022768043 568499370 /nfs/dbraw/zinc/49/93/70/568499370.db2.gz GADJNNGACPAWBS-UHFFFAOYSA-N 0 0 407.405 2.508 50 0 HFAARN CCS(=O)(=O)N(Cc1ccccc1F)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008480666 568501131 /nfs/dbraw/zinc/50/11/31/568501131.db2.gz WHWAOWUQVNXENS-UHFFFAOYSA-N 0 0 403.479 2.980 50 0 HFAARN Cc1nc(CN2CCN(C(=O)CCc3nnc(-c4ccsc4)o3)CC2)cs1 ZINC000031261749 568503353 /nfs/dbraw/zinc/50/33/53/568503353.db2.gz NBJAPODIDMUBJJ-UHFFFAOYSA-N 0 0 403.533 2.840 50 0 HFAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nnc4ccccn43)cc2)cc1 ZINC000031805303 568505367 /nfs/dbraw/zinc/50/53/67/568505367.db2.gz APQSVPLODGWQQR-UHFFFAOYSA-N 0 0 423.454 2.791 50 0 HFAARN CCOC(=O)c1noc2nc(C)n([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)c21 ZINC000033059549 568510993 /nfs/dbraw/zinc/51/09/93/568510993.db2.gz TYTFSGFVQPLHLM-ZDUSSCGKSA-N 0 0 412.446 2.995 50 0 HFAARN CCOCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033254678 568511733 /nfs/dbraw/zinc/51/17/33/568511733.db2.gz CTWBBGURLLONDH-UHFFFAOYSA-N 0 0 402.944 2.674 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000024451482 568511846 /nfs/dbraw/zinc/51/18/46/568511846.db2.gz IIFQVFDOBPGOPD-UHFFFAOYSA-N 0 0 404.488 2.936 50 0 HFAARN CC(C)Cn1c(=O)c2nn(C)cc2nc1SCC(=O)NCc1ccccc1Cl ZINC000033265269 568512245 /nfs/dbraw/zinc/51/22/45/568512245.db2.gz UOZDBJIZXYMYQM-UHFFFAOYSA-N 0 0 419.938 2.848 50 0 HFAARN Cc1ccc(Cn2cnc3nn(CC(=O)N4CCc5ccccc5C4)cc3c2=O)cc1 ZINC000033287854 568513615 /nfs/dbraw/zinc/51/36/15/568513615.db2.gz STDTXAVYBOOFDV-UHFFFAOYSA-N 0 0 413.481 2.535 50 0 HFAARN O=C(CSc1nc2ccccc2o1)Nc1nonc1N1C(=O)c2ccccc2C1=O ZINC000012377225 568545925 /nfs/dbraw/zinc/54/59/25/568545925.db2.gz GMNCOYXRVWMNNW-UHFFFAOYSA-N 0 0 421.394 2.742 50 0 HFAARN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000020102477 568587820 /nfs/dbraw/zinc/58/78/20/568587820.db2.gz FRDJGZHISRXNNQ-GOSISDBHSA-N 0 0 422.554 2.948 50 0 HFAARN O=c1c2cccnc2ncn1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000390830734 568592147 /nfs/dbraw/zinc/59/21/47/568592147.db2.gz MZKKNNYCPWDJLA-UHFFFAOYSA-N 0 0 410.908 2.532 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cc1C(N)=O ZINC000390831217 568592312 /nfs/dbraw/zinc/59/23/12/568592312.db2.gz QMKNDLJNCGNHMN-INIZCTEOSA-N 0 0 408.526 2.985 50 0 HFAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390832249 568592596 /nfs/dbraw/zinc/59/25/96/568592596.db2.gz YEWXGMAOPTUAEG-UHFFFAOYSA-N 0 0 420.498 2.575 50 0 HFAARN Cc1ccc(CN2CC(=O)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000095000179 568593878 /nfs/dbraw/zinc/59/38/78/568593878.db2.gz JSJGTTVJGCKLPP-RBUKOAKNSA-N 0 0 404.919 2.663 50 0 HFAARN C[C@H](c1ccccc1)N1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000095000173 568593901 /nfs/dbraw/zinc/59/39/01/568593901.db2.gz LVCHTKPEBUQYTH-MDASCCDHSA-N 0 0 404.919 2.915 50 0 HFAARN NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Sc2ccccn2)c2ccccc2)cc1 ZINC000020198333 568593911 /nfs/dbraw/zinc/59/39/11/568593911.db2.gz GXEHOJPVJKPSLB-IBGZPJMESA-N 0 0 413.524 2.879 50 0 HFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccnc1)N(CCCN1CCOCC1)C3=O ZINC000020308101 568598138 /nfs/dbraw/zinc/59/81/38/568598138.db2.gz ZYWCFCWRTVDPFW-OAQYLSRUSA-N 0 0 419.481 2.764 50 0 HFAARN C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc2nsnc21 ZINC000080337049 568602123 /nfs/dbraw/zinc/60/21/23/568602123.db2.gz WLSSZJBZXIHZPV-CQSZACIVSA-N 0 0 410.503 2.550 50 0 HFAARN O=C(CCCN1C(=O)CSc2ncccc21)N1CCN(Cc2ccccc2)CC1 ZINC000020415186 568605958 /nfs/dbraw/zinc/60/59/58/568605958.db2.gz XWXLUDIDDVELBB-UHFFFAOYSA-N 0 0 410.543 2.645 50 0 HFAARN CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCCCO)c2ccccc21 ZINC000020439009 568607427 /nfs/dbraw/zinc/60/74/27/568607427.db2.gz OVTZFHPMRSKNFG-HKWRFOASSA-N 0 0 421.497 2.939 50 0 HFAARN C[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)n1ccnc1-c1ccccc1 ZINC000095430243 568608994 /nfs/dbraw/zinc/60/89/94/568608994.db2.gz QILKFQQVJBWQRW-VQTJNVASSA-N 0 0 423.561 2.656 50 0 HFAARN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](C)Sc1nncn1C ZINC000095431316 568609062 /nfs/dbraw/zinc/60/90/62/568609062.db2.gz FIPPDZFHDCYRPP-ZDUSSCGKSA-N 0 0 405.524 2.558 50 0 HFAARN CCCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)[nH]n1 ZINC000095440067 568610614 /nfs/dbraw/zinc/61/06/14/568610614.db2.gz IQKANJNFSITMFF-QGZVFWFLSA-N 0 0 401.463 2.682 50 0 HFAARN C[C@H](CNC(=O)[C@H]1CC=CCC1)OC(=O)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000095451353 568614601 /nfs/dbraw/zinc/61/46/01/568614601.db2.gz GFFWMLZXYHOBCH-QYZOEREBSA-N 0 0 402.535 2.986 50 0 HFAARN C[C@H](CNC(=O)[C@@H]1CC=CCC1)OC(=O)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000095451355 568614721 /nfs/dbraw/zinc/61/47/21/568614721.db2.gz GFFWMLZXYHOBCH-QRVBRYPASA-N 0 0 402.535 2.986 50 0 HFAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4cc(Cl)ncn4)CC3)cc2)co1 ZINC000095458375 568619004 /nfs/dbraw/zinc/61/90/04/568619004.db2.gz OCCPCFBQJNALHI-UHFFFAOYSA-N 0 0 419.894 2.604 50 0 HFAARN C[C@H](NC(=O)CN(C)[C@H](C(N)=O)c1cccc(Br)c1)c1cccs1 ZINC000095459176 568619256 /nfs/dbraw/zinc/61/92/56/568619256.db2.gz UIXUMROHZKUNHC-ZBEGNZNMSA-N 0 0 410.337 2.846 50 0 HFAARN Cc1nn(C)c(C)c1[C@@H](NC(=O)NC1CCN(C(=O)C(C)C)CC1)C(F)(F)F ZINC000095460751 568620223 /nfs/dbraw/zinc/62/02/23/568620223.db2.gz FUIAPZGCVYDCGU-OAHLLOKOSA-N 0 0 403.449 2.587 50 0 HFAARN Cc1ccc(S(=O)(=O)CCCNc2cccc(C(=O)N3CCOCC3)c2)cc1 ZINC000095460366 568620234 /nfs/dbraw/zinc/62/02/34/568620234.db2.gz WMPJFFGGTKKDMR-UHFFFAOYSA-N 0 0 402.516 2.743 50 0 HFAARN CCOC(CNC(=O)c1ccn(-c2ccc(OC)cc2)n1)(OCC)c1ccccn1 ZINC000095464923 568622874 /nfs/dbraw/zinc/62/28/74/568622874.db2.gz JQMQNXVVDMOLBX-UHFFFAOYSA-N 0 0 410.474 2.932 50 0 HFAARN Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)c(F)c2)cc1NS(C)(=O)=O ZINC000095465396 568623411 /nfs/dbraw/zinc/62/34/11/568623411.db2.gz PKPWZUJSCOFGES-INIZCTEOSA-N 0 0 400.859 2.622 50 0 HFAARN Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000095465534 568623482 /nfs/dbraw/zinc/62/34/82/568623482.db2.gz CYZJINXWNCGECJ-SFHVURJKSA-N 0 0 407.474 2.504 50 0 HFAARN Cc1nc([C@H]2CN(C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)CCO2)no1 ZINC000095468241 568625158 /nfs/dbraw/zinc/62/51/58/568625158.db2.gz MOXNTYCAORFGEZ-GOSISDBHSA-N 0 0 410.405 2.983 50 0 HFAARN Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc1 ZINC000095469440 568625497 /nfs/dbraw/zinc/62/54/97/568625497.db2.gz IXCHPFLOHDSANC-UHFFFAOYSA-N 0 0 401.488 2.507 50 0 HFAARN O=C(CCCNC(=O)C1CC1)OCc1nc(Cc2ccccc2Br)n[nH]1 ZINC000095469292 568625519 /nfs/dbraw/zinc/62/55/19/568625519.db2.gz XBZZYNKOXMGCRZ-UHFFFAOYSA-N 0 0 421.295 2.508 50 0 HFAARN COC(=O)c1cccc(NC(=O)COC(=O)c2cc(Br)ccc2N)c1 ZINC000040159900 568625557 /nfs/dbraw/zinc/62/55/57/568625557.db2.gz APXLNTOBEXSBDH-UHFFFAOYSA-N 0 0 407.220 2.613 50 0 HFAARN O=C(N[C@@H](CO)c1ccccc1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000095471322 568626662 /nfs/dbraw/zinc/62/66/62/568626662.db2.gz XBVGEZBMGSZTNZ-XTXLOEGASA-N 0 0 416.543 2.621 50 0 HFAARN CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCc1ccccc1 ZINC000020531900 568627610 /nfs/dbraw/zinc/62/76/10/568627610.db2.gz DZMAPTKXRLYQCY-UHFFFAOYSA-N 0 0 400.475 2.600 50 0 biogenic HFAARN CC(C)Cc1nnc(NC(=O)Cc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]1 ZINC000095472473 568627858 /nfs/dbraw/zinc/62/78/58/568627858.db2.gz CYSDRNXCYRRFCA-UHFFFAOYSA-N 0 0 416.485 2.943 50 0 HFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc(OC)c1OC ZINC000095472990 568628357 /nfs/dbraw/zinc/62/83/57/568628357.db2.gz LBILTPFDIIZUPT-ZDUSSCGKSA-N 0 0 403.435 2.677 50 0 HFAARN COc1ccccc1-c1n[nH]c(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)n1 ZINC000095473133 568628647 /nfs/dbraw/zinc/62/86/47/568628647.db2.gz NCLFUXWILHUWPV-SFHVURJKSA-N 0 0 405.458 2.521 50 0 HFAARN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000095473169 568628707 /nfs/dbraw/zinc/62/87/07/568628707.db2.gz VPZMCXFOKQQIQL-MRXNPFEDSA-N 0 0 421.482 2.901 50 0 HFAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC(F)F)c(OC)c2)o1 ZINC000095473766 568628913 /nfs/dbraw/zinc/62/89/13/568628913.db2.gz QCLRDWUQKOWNLF-LBPRGKRZSA-N 0 0 414.357 2.797 50 0 HFAARN CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)CC1 ZINC000020533048 568629335 /nfs/dbraw/zinc/62/93/35/568629335.db2.gz IFWHGEKQMXXVML-KRWDZBQOSA-N 0 0 413.971 2.645 50 0 HFAARN Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CCN(CCc2ccccn2)CC1 ZINC000095474982 568629611 /nfs/dbraw/zinc/62/96/11/568629611.db2.gz GCMXWQASSMQPOL-UHFFFAOYSA-N 0 0 407.493 2.849 50 0 HFAARN Cc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)sc1C ZINC000095476358 568630512 /nfs/dbraw/zinc/63/05/12/568630512.db2.gz UZWXHRJCRCPPJO-OAHLLOKOSA-N 0 0 401.536 2.614 50 0 HFAARN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccccc21 ZINC000095479792 568632743 /nfs/dbraw/zinc/63/27/43/568632743.db2.gz WNHQVRZVBFPJGP-LJQANCHMSA-N 0 0 404.470 2.515 50 0 HFAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1OC ZINC000095480272 568633199 /nfs/dbraw/zinc/63/31/99/568633199.db2.gz RZSHBYMTRCTGMI-ZDUSSCGKSA-N 0 0 403.435 2.677 50 0 HFAARN CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccc(C)cc4)oc3nc2n(C)c1=O ZINC000225403324 568634554 /nfs/dbraw/zinc/63/45/54/568634554.db2.gz HVNPNFVFDCMSPA-UHFFFAOYSA-N 0 0 422.441 2.555 50 0 HFAARN CCOC(=O)[C@](NC(=O)COc1ccccc1)(Nc1ccc(C)cn1)C(F)(F)F ZINC000020609138 568636669 /nfs/dbraw/zinc/63/66/69/568636669.db2.gz YYEWCVMRQUKJQF-GOSISDBHSA-N 0 0 411.380 2.819 50 0 HFAARN Cc1cccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1C ZINC000020611820 568637516 /nfs/dbraw/zinc/63/75/16/568637516.db2.gz VQQTVKHWFWOGHY-NRFANRHFSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN CC(C)Cn1c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(CC(C)C)c1=O ZINC000020612376 568637555 /nfs/dbraw/zinc/63/75/55/568637555.db2.gz QTGZPFITSJCCAH-FQEVSTJZSA-N 0 0 410.518 2.744 50 0 biogenic HFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2c(C)cccc2C)CC1 ZINC000020730335 568640869 /nfs/dbraw/zinc/64/08/69/568640869.db2.gz IENCJDZJPPSZBN-UHFFFAOYSA-N 0 0 418.607 2.645 50 0 HFAARN CNC(=O)C[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccccc1 ZINC000225475752 568641327 /nfs/dbraw/zinc/64/13/27/568641327.db2.gz RNTKMMAJAYFNGI-SFHVURJKSA-N 0 0 408.458 2.671 50 0 HFAARN Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1C ZINC000020757052 568641498 /nfs/dbraw/zinc/64/14/98/568641498.db2.gz KDIABRVWBLQVNH-NRFANRHFSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000020760136 568642114 /nfs/dbraw/zinc/64/21/14/568642114.db2.gz FLBMJUNHENUBHM-OAQYLSRUSA-N 0 0 402.454 2.817 50 0 biogenic HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC)C(=O)OC ZINC000020763523 568642778 /nfs/dbraw/zinc/64/27/78/568642778.db2.gz HUGIRZIBRUGHOD-XVGQJIODSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCNc4ccccc4C3)CC2=O)cc1OC ZINC000020861502 568645895 /nfs/dbraw/zinc/64/58/95/568645895.db2.gz TWPBAKFOIPHZAS-IBGZPJMESA-N 0 0 423.513 2.549 50 0 HFAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3 ZINC000020865145 568646392 /nfs/dbraw/zinc/64/63/92/568646392.db2.gz BPYANJUOGWJWAM-UHFFFAOYSA-N 0 0 405.380 2.895 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3ccc(Cl)cc3)sc2n1 ZINC000020865998 568646530 /nfs/dbraw/zinc/64/65/30/568646530.db2.gz KZGKGLMUZXMGFR-UHFFFAOYSA-N 0 0 419.938 2.552 50 0 HFAARN O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1)Nc1ccc(F)cc1 ZINC000020867399 568646859 /nfs/dbraw/zinc/64/68/59/568646859.db2.gz BOLVNPFOAPKOLS-IAGOWNOFSA-N 0 0 419.503 2.539 50 0 HFAARN Cc1ccc2c(CN3CCN(C(=O)c4n[nH]c5c4C[C@H](C)CC5)CC3)cc(=O)oc2c1 ZINC000020869478 568647388 /nfs/dbraw/zinc/64/73/88/568647388.db2.gz UOOLEDWLXHONHM-OAHLLOKOSA-N 0 0 420.513 2.907 50 0 HFAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccco1 ZINC000020895807 568648881 /nfs/dbraw/zinc/64/88/81/568648881.db2.gz IMQPUDZXXCMYNE-KRWDZBQOSA-N 0 0 417.443 2.899 50 0 HFAARN COc1ccc(C(=O)Oc2cccc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c2)cc1 ZINC000020896574 568649108 /nfs/dbraw/zinc/64/91/08/568649108.db2.gz IFCHPAWXZKILML-SFHVURJKSA-N 0 0 413.455 2.915 50 0 HFAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901334 568649824 /nfs/dbraw/zinc/64/98/24/568649824.db2.gz AODBUWIWUXEGRN-AWEZNQCLSA-N 0 0 419.938 2.851 50 0 HFAARN CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)cc1 ZINC000020902120 568650012 /nfs/dbraw/zinc/65/00/12/568650012.db2.gz HYRQAZIPSLBOEV-UHFFFAOYSA-N 0 0 410.521 2.754 50 0 HFAARN COc1ccc(NS(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)cc1OC ZINC000020923373 568651093 /nfs/dbraw/zinc/65/10/93/568651093.db2.gz HLTOJFYFGILHHA-NSHDSACASA-N 0 0 420.512 2.888 50 0 HFAARN Cc1cccc(NC(=O)Cn2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c1C ZINC000020933358 568652221 /nfs/dbraw/zinc/65/22/21/568652221.db2.gz FXDYLRMWZMSGOT-UHFFFAOYSA-N 0 0 407.409 2.972 50 0 HFAARN CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(CC(C)C)sc3n2)s1 ZINC000020983741 568654808 /nfs/dbraw/zinc/65/48/08/568654808.db2.gz IKBLRIJYDAMXNH-UHFFFAOYSA-N 0 0 410.550 2.842 50 0 HFAARN O=C([C@@H]1COc2cc(S(=O)(=O)Nc3ccccc3F)ccc2O1)N1CCCCC1 ZINC000020989681 568655442 /nfs/dbraw/zinc/65/54/42/568655442.db2.gz BRINFXJMYCIQBZ-IBGZPJMESA-N 0 0 420.462 2.779 50 0 HFAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000020995359 568656690 /nfs/dbraw/zinc/65/66/90/568656690.db2.gz LXDUBDHVLWNIDL-VFNNOXKTSA-N 0 0 421.544 2.894 50 0 HFAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 ZINC000021001074 568657464 /nfs/dbraw/zinc/65/74/64/568657464.db2.gz JITMUWQAQUMYQN-UHFFFAOYSA-N 0 0 419.463 2.788 50 0 HFAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3cn(C)nc3OC)s2)cc1 ZINC000021011436 568657588 /nfs/dbraw/zinc/65/75/88/568657588.db2.gz DPNFQHSKXIZMMS-UHFFFAOYSA-N 0 0 419.488 2.611 50 0 HFAARN Cc1nn2c(nc(COC(=O)c3cccc(NC(=O)c4ccco4)c3)cc2=O)s1 ZINC000021016720 568657694 /nfs/dbraw/zinc/65/76/94/568657694.db2.gz MWVPDFVLLVCMSX-UHFFFAOYSA-N 0 0 410.411 2.662 50 0 HFAARN CCOc1ccccc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCCC2)c1C ZINC000021029102 568659092 /nfs/dbraw/zinc/65/90/92/568659092.db2.gz NLEQWSDOLYTJCO-UHFFFAOYSA-N 0 0 420.535 2.712 50 0 HFAARN Cc1nn2c(nc(CSc3nnc(COc4ccccc4C)n3C)cc2=O)s1 ZINC000021052537 568661061 /nfs/dbraw/zinc/66/10/61/568661061.db2.gz KWENEMDFSNLTHL-UHFFFAOYSA-N 0 0 414.516 2.768 50 0 HFAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3([S@@](C)=O)CC3)cc2)cc1C ZINC000225673420 568662736 /nfs/dbraw/zinc/66/27/36/568662736.db2.gz XJYWPHJKVUJCFR-HHHXNRCGSA-N 0 0 420.556 2.745 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2nnc(SCc3nc4ccccc4s3)n2c1 ZINC000095944739 568663217 /nfs/dbraw/zinc/66/32/17/568663217.db2.gz LRXFYBPCODQCGF-UHFFFAOYSA-N 0 0 405.530 2.882 50 0 HFAARN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021090029 568664101 /nfs/dbraw/zinc/66/41/01/568664101.db2.gz HXLGJIZPSDJFDK-INIZCTEOSA-N 0 0 408.863 2.667 50 0 HFAARN O=C(Nc1cccc(Br)c1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000021089969 568664108 /nfs/dbraw/zinc/66/41/08/568664108.db2.gz LEIDLYKPVGQNCW-OAHLLOKOSA-N 0 0 423.288 2.768 50 0 HFAARN C[C@@H](NC(=O)C1CCC1)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000225722652 568667936 /nfs/dbraw/zinc/66/79/36/568667936.db2.gz JZSPCBYYBOCZRZ-SECBINFHSA-N 0 0 420.678 2.866 50 0 HFAARN O=C(C[S@@](=O)Cc1cnn(-c2ccccc2)c1-n1cccc1)NCCc1ccco1 ZINC000021109979 568668045 /nfs/dbraw/zinc/66/80/45/568668045.db2.gz CKFFZBIXPBHWMY-SSEXGKCCSA-N 0 0 422.510 2.864 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)cc1 ZINC000021115540 568668808 /nfs/dbraw/zinc/66/88/08/568668808.db2.gz MUYKMTKIFGSNNV-UHFFFAOYSA-N 0 0 408.414 2.670 50 0 HFAARN Cc1c(C(=O)Nc2nnn(Cc3cccc(F)c3)c2C)sc2ncn(C)c(=O)c12 ZINC000225734772 568669437 /nfs/dbraw/zinc/66/94/37/568669437.db2.gz ZVIYCEDKUYSTDV-UHFFFAOYSA-N 0 0 412.450 2.643 50 0 HFAARN COc1ccccc1CNC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000095962855 568670466 /nfs/dbraw/zinc/67/04/66/568670466.db2.gz WXDHJAUTXXRYBU-ULQDDVLXSA-N 0 0 404.532 2.608 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3cccc(Cl)c3)sc2n1 ZINC000021165153 568674748 /nfs/dbraw/zinc/67/47/48/568674748.db2.gz LJZIOZFTQGDVFD-UHFFFAOYSA-N 0 0 405.911 2.510 50 0 HFAARN CCn1nnc2cc(C(=O)N[C@H](CC(=O)OC)c3ccc(OC)cc3OC)ccc21 ZINC000095982779 568675537 /nfs/dbraw/zinc/67/55/37/568675537.db2.gz HURNNPIAFUOLKX-MRXNPFEDSA-N 0 0 412.446 2.503 50 0 HFAARN COc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000095985638 568676186 /nfs/dbraw/zinc/67/61/86/568676186.db2.gz YOJVVJCNSXGLIY-OAHLLOKOSA-N 0 0 405.476 2.772 50 0 HFAARN CCCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000095993604 568678333 /nfs/dbraw/zinc/67/83/33/568678333.db2.gz DRNONYNFKYULAI-HNNXBMFYSA-N 0 0 409.533 2.563 50 0 HFAARN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000095994182 568678422 /nfs/dbraw/zinc/67/84/22/568678422.db2.gz YNPHIOBPBYMBDC-CVEARBPZSA-N 0 0 406.479 2.974 50 0 HFAARN COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000095994180 568678588 /nfs/dbraw/zinc/67/85/88/568678588.db2.gz YNPHIOBPBYMBDC-HZPDHXFCSA-N 0 0 406.479 2.974 50 0 HFAARN CN(Cc1cccnc1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000096004988 568682456 /nfs/dbraw/zinc/68/24/56/568682456.db2.gz UFLMVBVGJNDPRX-GOSISDBHSA-N 0 0 407.923 2.801 50 0 HFAARN CO[C@@H]1CCN(c2ncc(Br)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096005717 568682633 /nfs/dbraw/zinc/68/26/33/568682633.db2.gz BZYYTOTZNUYDHQ-CHWSQXEVSA-N 0 0 401.305 2.748 50 0 HFAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCC(CCCO)CC2)cc1 ZINC000096008214 568683453 /nfs/dbraw/zinc/68/34/53/568683453.db2.gz AQMUROHGZUHVDR-UHFFFAOYSA-N 0 0 416.547 2.776 50 0 HFAARN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000096008786 568683492 /nfs/dbraw/zinc/68/34/92/568683492.db2.gz KXNGSAILJBFPAD-GOSISDBHSA-N 0 0 413.499 2.555 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1 ZINC000096024884 568686263 /nfs/dbraw/zinc/68/62/63/568686263.db2.gz GLKSVDOTKGRHOR-UHFFFAOYSA-N 0 0 410.879 2.754 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1 ZINC000096025550 568686409 /nfs/dbraw/zinc/68/64/09/568686409.db2.gz IOMCWKQKXWFVIJ-QGZVFWFLSA-N 0 0 407.513 2.516 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1 ZINC000096025551 568686537 /nfs/dbraw/zinc/68/65/37/568686537.db2.gz IOMCWKQKXWFVIJ-KRWDZBQOSA-N 0 0 407.513 2.516 50 0 HFAARN Cn1cc([C@H](O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000096096546 568689119 /nfs/dbraw/zinc/68/91/19/568689119.db2.gz OVKBSXURYBWMLP-QGZVFWFLSA-N 0 0 405.376 2.985 50 0 HFAARN CCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2nc1C=CNc1ccc(Cl)cc1 ZINC000226075829 568693020 /nfs/dbraw/zinc/69/30/20/568693020.db2.gz VDSKSYXUJCRNAW-MDZDMXLPSA-N 0 0 414.849 2.545 50 0 HFAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc2nc[nH]c(=O)c2c1 ZINC000096113948 568693426 /nfs/dbraw/zinc/69/34/26/568693426.db2.gz VXQIFRDTKFTEGB-UHFFFAOYSA-N 0 0 403.442 2.832 50 0 biogenic HFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000096114409 568693974 /nfs/dbraw/zinc/69/39/74/568693974.db2.gz YLVFUJACEQVJKL-HXUWFJFHSA-N 0 0 402.454 2.584 50 0 biogenic HFAARN Cc1c(C)c(=O)oc2cc(OCC(=O)Nc3ccc4ncn(C)c(=O)c4c3)ccc12 ZINC000096114501 568694416 /nfs/dbraw/zinc/69/44/16/568694416.db2.gz YRNVNIDFRDHNIN-UHFFFAOYSA-N 0 0 405.410 2.674 50 0 biogenic HFAARN O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000012390494 568694730 /nfs/dbraw/zinc/69/47/30/568694730.db2.gz XUGUFYFFFDUIRK-LLVKDONJSA-N 0 0 418.418 2.678 50 0 HFAARN NC(=O)COc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012393280 568696457 /nfs/dbraw/zinc/69/64/57/568696457.db2.gz WQMJRYVJKNNARG-UHFFFAOYSA-N 0 0 421.419 2.528 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1/N=C(c2ccc(C)cc2)OC1=O ZINC000096134146 568702273 /nfs/dbraw/zinc/70/22/73/568702273.db2.gz RUHSZSCKTHWKKO-FSEGOYHTSA-N 0 0 419.890 2.857 50 0 HFAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCN(c2nccs2)CC1 ZINC000021472832 568703318 /nfs/dbraw/zinc/70/33/18/568703318.db2.gz KZKMIWMQTHAZOK-UHFFFAOYSA-N 0 0 406.511 2.889 50 0 HFAARN COCCn1cnc2ccc(NC(=O)c3cc(-c4ccccc4OC)[nH]n3)cc2c1=O ZINC000096224129 568706539 /nfs/dbraw/zinc/70/65/39/568706539.db2.gz KYGADCKZFFGLQK-UHFFFAOYSA-N 0 0 419.441 2.694 50 0 HFAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000096236040 568708381 /nfs/dbraw/zinc/70/83/81/568708381.db2.gz LZRWWPOWVKSMFL-ZHACJKMWSA-N 0 0 416.547 2.627 50 0 HFAARN Cc1cc(NC(=O)Cn2nnnc2-c2ccccc2NC(=O)c2ccc(F)cc2)no1 ZINC000021523384 568708907 /nfs/dbraw/zinc/70/89/07/568708907.db2.gz NMRQNPPUDHWFAC-UHFFFAOYSA-N 0 0 421.392 2.667 50 0 HFAARN CCN1CCN(c2nnc(-n3cccc3C(=O)NC3CCCCCC3)s2)CC1 ZINC000021535327 568711787 /nfs/dbraw/zinc/71/17/87/568711787.db2.gz FPZWJAFEPOSKKN-UHFFFAOYSA-N 0 0 402.568 2.923 50 0 HFAARN C[C@@H]1CCCN(c2nn3c(ncc(C(=O)NCc4ccc(Cl)cc4)c3=O)s2)C1 ZINC000021537545 568712677 /nfs/dbraw/zinc/71/26/77/568712677.db2.gz VSUSALQAKSEYEL-GFCCVEGCSA-N 0 0 417.922 2.971 50 0 HFAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccncc1 ZINC000000857010 568713139 /nfs/dbraw/zinc/71/31/39/568713139.db2.gz CAHVLQGBMAWSFT-UHFFFAOYSA-N 0 0 409.511 2.631 50 0 HFAARN Cc1ccc(CNC(=O)CCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1 ZINC000021540402 568713700 /nfs/dbraw/zinc/71/37/00/568713700.db2.gz CVJFXYOJADEWMY-UHFFFAOYSA-N 0 0 405.433 2.577 50 0 HFAARN CCc1cc2c(nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c2=O)s1 ZINC000000861836 568714722 /nfs/dbraw/zinc/71/47/22/568714722.db2.gz BSZFFAVAVNQDDP-UHFFFAOYSA-N 0 0 415.540 2.961 50 0 HFAARN Cc1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[nH]c(=O)c1CCO ZINC000012415033 568717591 /nfs/dbraw/zinc/71/75/91/568717591.db2.gz FGBJPNOHLAWVBY-UHFFFAOYSA-N 0 0 412.393 2.974 50 0 HFAARN CC[C@H]1CCCCN1C(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O ZINC000012419141 568719071 /nfs/dbraw/zinc/71/90/71/568719071.db2.gz VIMDTELSKHAHCZ-SFHVURJKSA-N 0 0 420.513 2.955 50 0 HFAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 ZINC000021578438 568719992 /nfs/dbraw/zinc/71/99/92/568719992.db2.gz RTPZJGWUUFLPJM-UHFFFAOYSA-N 0 0 408.546 2.925 50 0 HFAARN COc1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)c1 ZINC000096294878 568722438 /nfs/dbraw/zinc/72/24/38/568722438.db2.gz GJEFEZWLJASYLI-CYBMUJFWSA-N 0 0 424.906 2.783 50 0 HFAARN COCCn1c(CN(C)Cc2nc(C)c[nH]2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012434440 568722496 /nfs/dbraw/zinc/72/24/96/568722496.db2.gz NTVJNXKJSQVCHK-UHFFFAOYSA-N 0 0 423.583 2.690 50 0 HFAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1 ZINC000012441084 568723742 /nfs/dbraw/zinc/72/37/42/568723742.db2.gz MJPNNNNCSBRENH-UHFFFAOYSA-N 0 0 420.469 2.827 50 0 HFAARN CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000021627699 568723818 /nfs/dbraw/zinc/72/38/18/568723818.db2.gz FXWFNDVTECESAI-UGSOOPFHSA-N 0 0 417.556 2.786 50 0 HFAARN COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000096311205 568724658 /nfs/dbraw/zinc/72/46/58/568724658.db2.gz ZREXCRJXWCHRSH-BMSUMIBZSA-N 0 0 405.472 2.930 50 0 HFAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc1F ZINC000021628932 568724748 /nfs/dbraw/zinc/72/47/48/568724748.db2.gz DNSFRAVXCIODSJ-UHFFFAOYSA-N 0 0 409.458 2.664 50 0 HFAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)n(C)n1 ZINC000012443975 568725056 /nfs/dbraw/zinc/72/50/56/568725056.db2.gz HGBJGEAWHFFGGL-UHFFFAOYSA-N 0 0 410.499 2.728 50 0 HFAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2F)cc1 ZINC000000869453 568725575 /nfs/dbraw/zinc/72/55/75/568725575.db2.gz RWSBLWMLQQHDPB-MRXNPFEDSA-N 0 0 406.479 2.625 50 0 HFAARN Cc1cc(NC(=O)C2CCCC2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444266 568725756 /nfs/dbraw/zinc/72/57/56/568725756.db2.gz JHPHRDJOVGJNNK-UHFFFAOYSA-N 0 0 403.446 2.732 50 0 HFAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000012444300 568725853 /nfs/dbraw/zinc/72/58/53/568725853.db2.gz KSTNPHZIQYUCHM-UHFFFAOYSA-N 0 0 417.454 2.917 50 0 HFAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NCc1ccco1 ZINC000096318093 568727152 /nfs/dbraw/zinc/72/71/52/568727152.db2.gz XBAREAPBRBNLFA-UHFFFAOYSA-N 0 0 417.465 2.987 50 0 HFAARN Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000021648261 568728649 /nfs/dbraw/zinc/72/86/49/568728649.db2.gz BXMMFWYDJIJJMA-UHFFFAOYSA-N 0 0 403.465 2.884 50 0 HFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCc1cccc(F)c1 ZINC000021649824 568728959 /nfs/dbraw/zinc/72/89/59/568728959.db2.gz LPQHAFUUUQYQMN-UHFFFAOYSA-N 0 0 417.440 2.667 50 0 HFAARN COc1ccc(OCc2nnc(N3CCO[C@H](c4cccc(OC)c4)C3)n2C)cc1 ZINC000239352372 568729026 /nfs/dbraw/zinc/72/90/26/568729026.db2.gz ABYNQCJUFARILF-FQEVSTJZSA-N 0 0 410.474 2.989 50 0 HFAARN CCOCCCNC(=O)CCc1nnc2c3cc(-c4ccc(OC)cc4)nn3ccn12 ZINC000096322367 568730262 /nfs/dbraw/zinc/73/02/62/568730262.db2.gz UVZUGBWEWRRLDP-UHFFFAOYSA-N 0 0 422.489 2.528 50 0 HFAARN COc1ccccc1-c1noc(Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)n1 ZINC000096322891 568731140 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/nfs/dbraw/zinc/93/03/54/568930354.db2.gz MBFNUSIAMCOYBT-HNNXBMFYSA-N 0 0 403.456 2.670 50 0 HFAARN O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCC2)o1 ZINC000003959262 568930472 /nfs/dbraw/zinc/93/04/72/568930472.db2.gz LWUDLDAAAFUHGH-UHFFFAOYSA-N 0 0 424.910 2.569 50 0 HFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000670455921 568932487 /nfs/dbraw/zinc/93/24/87/568932487.db2.gz GDPOTCLJEDXNJT-UHFFFAOYSA-N 0 0 415.490 2.891 50 0 HFAARN CC(C)c1ccc(CN2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)cc1 ZINC000012747098 568932738 /nfs/dbraw/zinc/93/27/38/568932738.db2.gz WSMGROBRTPKNSW-UHFFFAOYSA-N 0 0 408.546 2.954 50 0 HFAARN COc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1Cl ZINC000004029537 568934520 /nfs/dbraw/zinc/93/45/20/568934520.db2.gz HBNFQVOARRYRIC-RUCLQGLUSA-N 0 0 413.854 2.684 50 0 biogenic HFAARN O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000016648826 568935319 /nfs/dbraw/zinc/93/53/19/568935319.db2.gz JFZMHFXCKKKQJM-IBGZPJMESA-N 0 0 415.497 2.857 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccccc2)C(=O)[C@]31C ZINC000004044139 568936155 /nfs/dbraw/zinc/93/61/55/568936155.db2.gz WRNHWENMGSPSBP-DEOSSOPVSA-N 0 0 403.482 2.861 50 0 biogenic HFAARN Cc1ccccc1CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 ZINC000004061337 568937189 /nfs/dbraw/zinc/93/71/89/568937189.db2.gz YVIBMCPHYZBQRI-UHFFFAOYSA-N 0 0 405.483 2.835 50 0 HFAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)NCc1ccccc1 ZINC000001424231 568938795 /nfs/dbraw/zinc/93/87/95/568938795.db2.gz LHADCNILPVQELE-INIZCTEOSA-N 0 0 408.527 2.865 50 0 HFAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCCOC(C)C ZINC000004082286 568939115 /nfs/dbraw/zinc/93/91/15/568939115.db2.gz PFGGPLXKCSJHOL-YLJYHZDGSA-N 0 0 422.547 2.984 50 0 biogenic HFAARN CCOC(=O)CN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1 ZINC000001428095 568939694 /nfs/dbraw/zinc/93/96/94/568939694.db2.gz KKWXNWDLKUVSQD-FPOVZHCZSA-N 0 0 401.415 2.606 50 0 HFAARN COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000004087159 568940887 /nfs/dbraw/zinc/94/08/87/568940887.db2.gz PGCLBZBZJPAHLT-UHFFFAOYSA-N 0 0 401.488 2.652 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000012751682 568940931 /nfs/dbraw/zinc/94/09/31/568940931.db2.gz QNOYTOHOGBKFAM-CQSZACIVSA-N 0 0 417.506 2.800 50 0 HFAARN Cc1ccc(CNC(=O)CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000084148841 568941137 /nfs/dbraw/zinc/94/11/37/568941137.db2.gz CGGSNKBPCQDNIL-UHFFFAOYSA-N 0 0 403.530 2.615 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000012754477 568942465 /nfs/dbraw/zinc/94/24/65/568942465.db2.gz VEJMYLJZTHFYBJ-SFHVURJKSA-N 0 0 416.499 2.685 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc43)C2)cc1 ZINC000012754937 568942542 /nfs/dbraw/zinc/94/25/42/568942542.db2.gz WXUGSIHPAZMZNS-QGZVFWFLSA-N 0 0 400.500 2.685 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012755043 568942695 /nfs/dbraw/zinc/94/26/95/568942695.db2.gz BTJKBNPAHKNZAQ-UHFFFAOYSA-N 0 0 419.453 2.901 50 0 HFAARN COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(c1=O)S[C@H](C)C2 ZINC000004107998 568943741 /nfs/dbraw/zinc/94/37/41/568943741.db2.gz XOKATGVHVFCPCV-GFCCVEGCSA-N 0 0 421.544 2.666 50 0 HFAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(F)cc1)C[C@@H](C)S2 ZINC000004108001 568943785 /nfs/dbraw/zinc/94/37/85/568943785.db2.gz NQPDCMBXIQQXQH-LLVKDONJSA-N 0 0 409.508 2.796 50 0 HFAARN COCCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108012 568943852 /nfs/dbraw/zinc/94/38/52/568943852.db2.gz OYEUUHPJDHNNHA-ZDUSSCGKSA-N 0 0 405.545 2.966 50 0 HFAARN COCCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)S[C@H](C)C2 ZINC000004108010 568943865 /nfs/dbraw/zinc/94/38/65/568943865.db2.gz OYEUUHPJDHNNHA-CYBMUJFWSA-N 0 0 405.545 2.966 50 0 HFAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012760956 568945383 /nfs/dbraw/zinc/94/53/83/568945383.db2.gz DAIYSYFSVVFPTF-UHFFFAOYSA-N 0 0 412.511 2.525 50 0 HFAARN CC(=O)Nc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000012763704 568947259 /nfs/dbraw/zinc/94/72/59/568947259.db2.gz ZSXXEVKPSZSNTM-UHFFFAOYSA-N 0 0 415.515 2.750 50 0 HFAARN CCOc1cc2c(cc1CNC(=O)c1cc(S(=O)(=O)NC)ccc1C)O[C@H](C)C2 ZINC000012767752 568949406 /nfs/dbraw/zinc/94/94/06/568949406.db2.gz FNNFWCRSLMQCKL-CQSZACIVSA-N 0 0 418.515 2.555 50 0 HFAARN O=C(CNC(=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000084517889 568949822 /nfs/dbraw/zinc/94/98/22/568949822.db2.gz HLAOTYPLLPNSBJ-UHFFFAOYSA-N 0 0 401.894 2.917 50 0 HFAARN O=C(NCCC1=CCCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004193184 568950670 /nfs/dbraw/zinc/95/06/70/568950670.db2.gz GZWZNCVMYWSKIG-ROUUACIJSA-N 0 0 419.572 2.987 50 0 HFAARN Nc1nc(SCC(=O)Nc2ccccc2)ncc1S(=O)(=O)c1ccccc1 ZINC000004193579 568950776 /nfs/dbraw/zinc/95/07/76/568950776.db2.gz BCELJYDZIHZAKF-UHFFFAOYSA-N 0 0 400.485 2.622 50 0 HFAARN CC[C@H](c1nnc(SCC(=O)NC[C@@H]2CCCO2)n1Cc1ccccc1)N(C)C ZINC000004195230 568951118 /nfs/dbraw/zinc/95/11/18/568951118.db2.gz JBCJNEFNZROGIW-ZWKOTPCHSA-N 0 0 417.579 2.726 50 0 HFAARN O=C(CN1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1)N1CCCCCC1 ZINC000012771570 568952014 /nfs/dbraw/zinc/95/20/14/568952014.db2.gz NJGFPZFKSKUHIT-UHFFFAOYSA-N 0 0 417.937 2.663 50 0 HFAARN CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012773095 568952603 /nfs/dbraw/zinc/95/26/03/568952603.db2.gz LHCXHDUOAHDZKN-UHFFFAOYSA-N 0 0 416.499 2.561 50 0 HFAARN Cc1nc2ccccc2c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000004240159 568953076 /nfs/dbraw/zinc/95/30/76/568953076.db2.gz ZKPCXOJNPVOPEH-LLVKDONJSA-N 0 0 402.501 2.705 50 0 HFAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015600264 568953914 /nfs/dbraw/zinc/95/39/14/568953914.db2.gz FMCFGYKBIMZWSZ-GOSISDBHSA-N 0 0 401.484 2.980 50 0 HFAARN COc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C ZINC000004250808 568954988 /nfs/dbraw/zinc/95/49/88/568954988.db2.gz UPYALFYXQJXBTC-UHFFFAOYSA-N 0 0 409.490 2.810 50 0 HFAARN CC1CCC(NS(=O)(=O)CC(=O)N(Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000084689373 568955696 /nfs/dbraw/zinc/95/56/96/568955696.db2.gz DJVLWWOGEKMOHQ-UHFFFAOYSA-N 0 0 400.491 2.954 50 0 HFAARN NC(=O)c1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)CCC2 ZINC000004267056 568956250 /nfs/dbraw/zinc/95/62/50/568956250.db2.gz OZYUUAGAICNZFM-UHFFFAOYSA-N 0 0 412.500 2.591 50 0 HFAARN Cc1ccccc1-c1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004271727 568956966 /nfs/dbraw/zinc/95/69/66/568956966.db2.gz IHDOZWTYUJZLPU-UHFFFAOYSA-N 0 0 405.483 2.690 50 0 HFAARN Cn1c(=O)c2c(SCc3cccnc3)nc(-c3ccccc3F)nc2n(C)c1=O ZINC000004271735 568956977 /nfs/dbraw/zinc/95/69/77/568956977.db2.gz JGPZZCAPDGQCHY-UHFFFAOYSA-N 0 0 409.446 2.521 50 0 HFAARN O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012781436 568958119 /nfs/dbraw/zinc/95/81/19/568958119.db2.gz SCUIQHCWIACRCR-IBGZPJMESA-N 0 0 418.852 2.532 50 0 HFAARN CCN(Cc1cccc2c1OCCO2)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000084777540 568958730 /nfs/dbraw/zinc/95/87/30/568958730.db2.gz CJZFCGQSWBBQLS-IEZWGBDMSA-N 0 0 419.547 2.532 50 0 HFAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc(OC)c3)c2C(N)=O)C1 ZINC000004280314 568958757 /nfs/dbraw/zinc/95/87/57/568958757.db2.gz OFGIIOYFBRTQTK-UHFFFAOYSA-N 0 0 403.460 2.623 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000012783284 568958783 /nfs/dbraw/zinc/95/87/83/568958783.db2.gz LERWMLAUJYZHSU-KRWDZBQOSA-N 0 0 408.520 2.884 50 0 HFAARN CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000004281785 568958831 /nfs/dbraw/zinc/95/88/31/568958831.db2.gz RWXSAZAECQHCGO-CYBMUJFWSA-N 0 0 421.544 2.781 50 0 HFAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004284800 568959073 /nfs/dbraw/zinc/95/90/73/568959073.db2.gz FRBPYDCAWXEQAR-MRXNPFEDSA-N 0 0 404.488 2.542 50 0 HFAARN COCCn1c(C)cc(C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1C ZINC000004285333 568959195 /nfs/dbraw/zinc/95/91/95/568959195.db2.gz UVMMQHMCTZEPMG-UHFFFAOYSA-N 0 0 421.515 2.650 50 0 HFAARN C[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(-n2ccnc2)cc1 ZINC000012785072 568959503 /nfs/dbraw/zinc/95/95/03/568959503.db2.gz UEUCKYCEUSHGGP-CQSZACIVSA-N 0 0 407.405 2.706 50 0 HFAARN COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000004313877 568961308 /nfs/dbraw/zinc/96/13/08/568961308.db2.gz LDJUBAMNBCFNNS-UHFFFAOYSA-N 0 0 410.879 2.840 50 0 HFAARN COC(=O)c1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 ZINC000004275321 568962380 /nfs/dbraw/zinc/96/23/80/568962380.db2.gz FDVMULIDDFWCCU-UHFFFAOYSA-N 0 0 409.423 2.989 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000007985866 568964536 /nfs/dbraw/zinc/96/45/36/568964536.db2.gz WFGVRZGYJAIDDW-HXUWFJFHSA-N 0 0 402.516 2.733 50 0 HFAARN Cn1nc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c2ccccc2c1=O ZINC000007987908 568965642 /nfs/dbraw/zinc/96/56/42/568965642.db2.gz NEUYDRWPANDTOR-UHFFFAOYSA-N 0 0 419.481 2.947 50 0 HFAARN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)CC1=O ZINC000007989094 568966087 /nfs/dbraw/zinc/96/60/87/568966087.db2.gz QGZZOTDRSYPXKX-HNNXBMFYSA-N 0 0 407.470 2.887 50 0 HFAARN Cc1cc(F)ccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000015677743 568966143 /nfs/dbraw/zinc/96/61/43/568966143.db2.gz BLYJKAXUUCFXRX-UHFFFAOYSA-N 0 0 408.476 2.981 50 0 HFAARN Cc1ccc(C(=O)CCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000008000775 568967887 /nfs/dbraw/zinc/96/78/87/568967887.db2.gz YYVFMDBNDYLPTN-UHFFFAOYSA-N 0 0 405.472 2.536 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000008020583 568968817 /nfs/dbraw/zinc/96/88/17/568968817.db2.gz AHRXLDFOIROXRU-UHFFFAOYSA-N 0 0 405.520 2.736 50 0 HFAARN Cc1cccc(C(=O)NCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC000012791989 568969154 /nfs/dbraw/zinc/96/91/54/568969154.db2.gz KJXRBLCILMYOGF-UHFFFAOYSA-N 0 0 417.531 2.830 50 0 HFAARN COc1cc2ccccc2cc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000008067755 568971426 /nfs/dbraw/zinc/97/14/26/568971426.db2.gz WVYHZAMFIIJGKF-UHFFFAOYSA-N 0 0 401.440 2.732 50 0 HFAARN 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O=C(CN1CCN(Cc2ccccc2Cl)S1(=O)=O)Nc1ccc(F)cc1F ZINC000035428483 569036610 /nfs/dbraw/zinc/03/66/10/569036610.db2.gz UWRFRYYDGJLZDJ-UHFFFAOYSA-N 0 0 415.849 2.619 50 0 HFAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1 ZINC000035432400 569037001 /nfs/dbraw/zinc/03/70/01/569037001.db2.gz HTAWDLWGQJQBKU-UHFFFAOYSA-N 0 0 411.527 2.657 50 0 HFAARN Cc1ccc(F)cc1NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O ZINC000035447202 569037385 /nfs/dbraw/zinc/03/73/85/569037385.db2.gz IPDAKLBQVZYQKN-UHFFFAOYSA-N 0 0 409.458 2.664 50 0 HFAARN O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000006284266 569037530 /nfs/dbraw/zinc/03/75/30/569037530.db2.gz HKYJTDSGYXQKDA-UHFFFAOYSA-N 0 0 400.928 2.814 50 0 HFAARN CNC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21 ZINC000035480180 569038728 /nfs/dbraw/zinc/03/87/28/569038728.db2.gz YOVDDXVQNLHDAD-UHFFFAOYSA-N 0 0 410.293 2.952 50 0 HFAARN CCOc1ccc(N2CCn3c(SCC(=O)Nc4nnc(C)s4)nnc32)cc1 ZINC000009574055 569039224 /nfs/dbraw/zinc/03/92/24/569039224.db2.gz 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/nfs/dbraw/zinc/04/51/21/569045121.db2.gz RAXDGCRKFZPUBZ-UHFFFAOYSA-N 0 0 414.487 2.536 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 ZINC000006358615 569045263 /nfs/dbraw/zinc/04/52/63/569045263.db2.gz VJVVPWYXRKMMQQ-IBGZPJMESA-N 0 0 410.536 2.600 50 0 HFAARN CCOC(=O)CCC(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596924 569045559 /nfs/dbraw/zinc/04/55/59/569045559.db2.gz JVGFJESVQXZYMR-CQSZACIVSA-N 0 0 401.419 2.515 50 0 HFAARN Cc1ccccc1-c1noc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000006384554 569046281 /nfs/dbraw/zinc/04/62/81/569046281.db2.gz WYHGHWRRKFRFLA-UHFFFAOYSA-N 0 0 401.444 2.652 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000006404697 569046704 /nfs/dbraw/zinc/04/67/04/569046704.db2.gz PMCLBXVEVGUGNP-UHFFFAOYSA-N 0 0 409.332 2.989 50 0 HFAARN COc1ccc2cc(CNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)ccc2c1 ZINC000012981189 569046816 /nfs/dbraw/zinc/04/68/16/569046816.db2.gz DFTANLOZMVDHBM-UHFFFAOYSA-N 0 0 419.529 2.995 50 0 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569048411 /nfs/dbraw/zinc/04/84/11/569048411.db2.gz YJOUCGBMMLVKLY-UHFFFAOYSA-N 0 0 403.431 2.794 50 0 HFAARN COc1cc(C(=O)NCCc2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000035672974 569048610 /nfs/dbraw/zinc/04/86/10/569048610.db2.gz HOTBRVCGWOKTGG-UHFFFAOYSA-N 0 0 401.394 2.874 50 0 HFAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCN2CCOCC2)c1 ZINC000012998787 569048905 /nfs/dbraw/zinc/04/89/05/569048905.db2.gz CKDODETXOPAHOE-UHFFFAOYSA-N 0 0 420.513 2.669 50 0 HFAARN O=C(c1cc(Br)ccc1O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013003767 569049377 /nfs/dbraw/zinc/04/93/77/569049377.db2.gz KGINRYXDLGRCHH-UHFFFAOYSA-N 0 0 419.275 2.841 50 0 HFAARN CC[C@@H](C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000013003807 569049388 /nfs/dbraw/zinc/04/93/88/569049388.db2.gz ABRDLINMKDVOFY-OAHLLOKOSA-N 0 0 415.515 2.573 50 0 HFAARN C[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000013011070 569050181 /nfs/dbraw/zinc/05/01/81/569050181.db2.gz INWHBLWWWXIWRX-SUMWQHHRSA-N 0 0 413.547 2.705 50 0 HFAARN CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000013012099 569050478 /nfs/dbraw/zinc/05/04/78/569050478.db2.gz MFERHBRNNHBOTJ-UHFFFAOYSA-N 0 0 418.490 2.601 50 0 HFAARN Cc1ccc(CN2C[C@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC000013011955 569050490 /nfs/dbraw/zinc/05/04/90/569050490.db2.gz LYLBAKVYOOESBA-QFBILLFUSA-N 0 0 414.527 2.624 50 0 HFAARN C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006436834 569050545 /nfs/dbraw/zinc/05/05/45/569050545.db2.gz VIBLZDBWEQULSI-LBPRGKRZSA-N 0 0 408.501 2.615 50 0 HFAARN CCOC(=O)c1[nH]c(COC(=O)COc2ccccc2OC)c(C(=O)OCC)c1C ZINC000006439324 569050803 /nfs/dbraw/zinc/05/08/03/569050803.db2.gz UHSLWDXSWNROSY-UHFFFAOYSA-N 0 0 419.430 2.807 50 0 HFAARN C[C@@H](SCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013016928 569050886 /nfs/dbraw/zinc/05/08/86/569050886.db2.gz LSDOJTJRLCQZMG-CYBMUJFWSA-N 0 0 412.467 2.814 50 0 HFAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000013021684 569051191 /nfs/dbraw/zinc/05/11/91/569051191.db2.gz HVGIEMFGBZCEQH-UHFFFAOYSA-N 0 0 415.515 2.860 50 0 HFAARN C[C@@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000030033766 569052138 /nfs/dbraw/zinc/05/21/38/569052138.db2.gz ZJBPJGIYDJEOLQ-BZUAXINKSA-N 0 0 417.531 2.590 50 0 HFAARN O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000001781302 569052741 /nfs/dbraw/zinc/05/27/41/569052741.db2.gz PJYHKCGNYZGVTM-UHFFFAOYSA-N 0 0 407.275 2.567 50 0 HFAARN COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000035729515 569053594 /nfs/dbraw/zinc/05/35/94/569053594.db2.gz NBAQEYSXVZKWAG-QGZVFWFLSA-N 0 0 419.547 2.996 50 0 HFAARN Cc1c(I)ccc(=O)n1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000089536836 569069956 /nfs/dbraw/zinc/06/99/56/569069956.db2.gz HELPCGSQBUOJGG-DZGCQCFKSA-N 0 0 414.287 2.943 50 0 HFAARN COCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccccc3)[C@H]2C1=O ZINC000245256306 569055489 /nfs/dbraw/zinc/05/54/89/569055489.db2.gz OJSQIZKKEXDXAI-CMOCDZPBSA-N 0 0 416.477 2.791 50 0 HFAARN NC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000245256548 569055557 /nfs/dbraw/zinc/05/55/57/569055557.db2.gz QZDYIQDBDYTFAK-JCNLHEQBSA-N 0 0 415.515 2.509 50 0 HFAARN C[C@H](CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000026754780 569056439 /nfs/dbraw/zinc/05/64/39/569056439.db2.gz FXTGBTUBNCIQBQ-APWZRJJASA-N 0 0 402.516 2.677 50 0 HFAARN CCCC(=O)N[C@@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000026841638 569057148 /nfs/dbraw/zinc/05/71/48/569057148.db2.gz RPYZTOJZNJDJTC-OZVIIMIRSA-N 0 0 406.741 2.880 50 0 biogenic HFAARN CCS(=O)(=O)Oc1cccc(CN(CCOC)C(=O)Cc2ccc(OC)cc2)c1 ZINC000035770068 569058374 /nfs/dbraw/zinc/05/83/74/569058374.db2.gz ZKHQJDQILVPYJU-UHFFFAOYSA-N 0 0 421.515 2.641 50 0 HFAARN CC12CN(C(=O)Cc3ccccc3)CC(C)(CN(C(=O)Cc3ccccc3)C1)C2=O ZINC000001317904 569060360 /nfs/dbraw/zinc/06/03/60/569060360.db2.gz LDRFMZTXTWFFLD-UHFFFAOYSA-N 0 0 404.510 2.738 50 0 biogenic HFAARN COc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1N1CCNC1=O ZINC000089459540 569060616 /nfs/dbraw/zinc/06/06/16/569060616.db2.gz AZFLYYZYYOOXKA-CQSZACIVSA-N 0 0 416.428 2.512 50 0 HFAARN CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCCCCNc1ccccn1 ZINC000089496625 569061168 /nfs/dbraw/zinc/06/11/68/569061168.db2.gz HHBBXIRMQPWDEU-UHFFFAOYSA-N 0 0 424.530 2.936 50 0 HFAARN COc1ccccc1CNC(=O)CN(C)CC(=O)Nc1ccccc1Br ZINC000006559467 569065658 /nfs/dbraw/zinc/06/56/58/569065658.db2.gz YCMQJXZVYIUTFQ-UHFFFAOYSA-N 0 0 420.307 2.644 50 0 HFAARN COc1ccc(CN(C)C(=O)COC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000006560351 569065810 /nfs/dbraw/zinc/06/58/10/569065810.db2.gz YAOQSUBZCRYMCM-QGZVFWFLSA-N 0 0 416.499 2.563 50 0 HFAARN CCc1ccc(NC(=O)N2CCN(c3nc4cccnc4n(CC)c3=O)CC2)cc1 ZINC000064567484 569067373 /nfs/dbraw/zinc/06/73/73/569067373.db2.gz WCHPDHRVMFYLNU-UHFFFAOYSA-N 0 0 406.490 2.728 50 0 HFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1)C(C)=O ZINC000035946649 569067440 /nfs/dbraw/zinc/06/74/40/569067440.db2.gz IBPHRRFUWFTLLJ-IBGZPJMESA-N 0 0 415.515 2.929 50 0 HFAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccn1C)C(=O)C1CC1 ZINC000035948783 569067586 /nfs/dbraw/zinc/06/75/86/569067586.db2.gz RATNVNWPBUDQKE-SFHVURJKSA-N 0 0 414.531 2.649 50 0 HFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000006583051 569067999 /nfs/dbraw/zinc/06/79/99/569067999.db2.gz JRSSRTPJLKGJDZ-QGZVFWFLSA-N 0 0 409.486 2.762 50 0 HFAARN CCc1nn2c(nc(COC(=O)c3cc(Cl)c(OC)c(OC)c3)cc2=O)s1 ZINC000006588339 569068136 /nfs/dbraw/zinc/06/81/36/569068136.db2.gz TYLJJJKTYPFPMT-UHFFFAOYSA-N 0 0 409.851 2.741 50 0 HFAARN CCCCC(=O)N1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000064578950 569068279 /nfs/dbraw/zinc/06/82/79/569068279.db2.gz CUWRVEKYUYUFFY-UHFFFAOYSA-N 0 0 419.529 2.987 50 0 HFAARN C[NH+](C)CCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000006590679 569068626 /nfs/dbraw/zinc/06/86/26/569068626.db2.gz PUXSPCGYUUTVBX-UHFFFAOYSA-N 0 0 402.454 2.890 50 0 HFAARN COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC(=O)N1CCOCC1 ZINC000006590709 569068665 /nfs/dbraw/zinc/06/86/65/569068665.db2.gz GQFMISQDTVSYEK-UHFFFAOYSA-N 0 0 410.470 2.674 50 0 HFAARN Cn1c2cc(NC(=O)Nc3ccc(F)cc3F)c(N3CCOCC3)cc2n(C)c1=O ZINC000064590980 569069256 /nfs/dbraw/zinc/06/92/56/569069256.db2.gz NNBYYDKWXLWJLH-UHFFFAOYSA-N 0 0 417.416 2.636 50 0 HFAARN O=C(CSc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)Nc1cccc(F)c1 ZINC000064593010 569069488 /nfs/dbraw/zinc/06/94/88/569069488.db2.gz ZSWAHYZEORTVHL-UHFFFAOYSA-N 0 0 413.409 2.889 50 0 HFAARN COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1 ZINC000064593442 569069502 /nfs/dbraw/zinc/06/95/02/569069502.db2.gz VUUKRMHPCYMOQN-UHFFFAOYSA-N 0 0 407.455 2.620 50 0 HFAARN COc1cccc(-n2ccn3c(SCC(=O)Nc4cccc(C)c4)nnc3c2=O)c1 ZINC000064593690 569069558 /nfs/dbraw/zinc/06/95/58/569069558.db2.gz KUAWDCVHIDEAPI-UHFFFAOYSA-N 0 0 421.482 2.928 50 0 HFAARN CC(=O)N1CCN(C(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000006602310 569069858 /nfs/dbraw/zinc/06/98/58/569069858.db2.gz IZFCWHBOIHVITN-UHFFFAOYSA-N 0 0 414.462 2.567 50 0 HFAARN [NH3+][C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn([C@@H]4C[C@H]4F)c3c2Cl)CC12CC2 ZINC000026992199 569070037 /nfs/dbraw/zinc/07/00/37/569070037.db2.gz PNUZDKCDAWUEGK-RAIGVLPGSA-N 0 0 409.820 2.703 50 0 in-vitro HFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000004570470 569071360 /nfs/dbraw/zinc/07/13/60/569071360.db2.gz WNUHIBKAIQSZTJ-AWEZNQCLSA-N 0 0 418.540 2.796 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1 ZINC000004661553 569071434 /nfs/dbraw/zinc/07/14/34/569071434.db2.gz CBKYPVDLMPXQBL-GJPUVDBCSA-N 0 0 404.491 2.798 50 0 HFAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CC2(C1)CNC(=O)N2 ZINC000426361272 569072506 /nfs/dbraw/zinc/07/25/06/569072506.db2.gz WHUMUAKNUZQQIP-UHFFFAOYSA-N 0 0 406.511 2.676 50 0 HFAARN CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCOCC1 ZINC000006609740 569073053 /nfs/dbraw/zinc/07/30/53/569073053.db2.gz MAJISPGOSPDRTO-UHFFFAOYSA-N 0 0 410.470 2.526 50 0 HFAARN Cc1ccc(-c2cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)c3ccccc3n2)cc1 ZINC000426518181 569073285 /nfs/dbraw/zinc/07/32/85/569073285.db2.gz CIXOTECKZLQETG-INIZCTEOSA-N 0 0 409.511 2.961 50 0 HFAARN CCNC(=O)N1CCN(c2nc(C3CC3)nc3c2cnn3-c2ccc(OC)cc2)CC1 ZINC000035992366 569074666 /nfs/dbraw/zinc/07/46/66/569074666.db2.gz AXEKCDKEUBKDPK-UHFFFAOYSA-N 0 0 421.505 2.553 50 0 HFAARN Cc1nc2c(cnn2-c2ccc(F)cc2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000035992316 569074723 /nfs/dbraw/zinc/07/47/23/569074723.db2.gz DXSBUNXJWSJQHQ-UHFFFAOYSA-N 0 0 406.421 2.818 50 0 HFAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCc2ccccc2C1 ZINC000035999986 569074852 /nfs/dbraw/zinc/07/48/52/569074852.db2.gz RFRVNSROEZNDLE-UHFFFAOYSA-N 0 0 423.469 2.969 50 0 HFAARN COCC(=O)N1CCCN(c2nc(C(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000036003000 569075481 /nfs/dbraw/zinc/07/54/81/569075481.db2.gz WZLNWNGCEGGESA-UHFFFAOYSA-N 0 0 408.506 2.624 50 0 HFAARN O=C(CNC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1)N1CCOCC1 ZINC000036010052 569075675 /nfs/dbraw/zinc/07/56/75/569075675.db2.gz UJHUSYWLJSEZQW-UHFFFAOYSA-N 0 0 415.302 2.782 50 0 HFAARN COCCNC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000036009555 569075689 /nfs/dbraw/zinc/07/56/89/569075689.db2.gz LFNLBDUOTIBARO-KRWDZBQOSA-N 0 0 418.519 2.653 50 0 HFAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)C(=O)CC ZINC000036005747 569075969 /nfs/dbraw/zinc/07/59/69/569075969.db2.gz SZRJUSOKRKPKLM-UHFFFAOYSA-N 0 0 417.554 2.514 50 0 HFAARN CC[C@H](C)CN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024576 569077644 /nfs/dbraw/zinc/07/76/44/569077644.db2.gz NASPXEWCEVURFL-HKUYNNGSSA-N 0 0 407.580 2.670 50 0 HFAARN CC[C@@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029096 569078232 /nfs/dbraw/zinc/07/82/32/569078232.db2.gz QKCNVCCZJQJUMS-RHSMWYFYSA-N 0 0 413.971 2.687 50 0 HFAARN COc1ccc([C@@H](NC(=O)COc2ccc(-n3cnnn3)cc2)c2ccccc2)cc1 ZINC000006647652 569079387 /nfs/dbraw/zinc/07/93/87/569079387.db2.gz WIMOZXIGKXTBKQ-QHCPKHFHSA-N 0 0 415.453 2.956 50 0 HFAARN CCC(=O)N1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000036041568 569082188 /nfs/dbraw/zinc/08/21/88/569082188.db2.gz KOPWGTXDRQPWDG-MOPGFXCFSA-N 0 0 410.470 2.692 50 0 HFAARN C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 ZINC000006660199 569084147 /nfs/dbraw/zinc/08/41/47/569084147.db2.gz MDZIHRCPFJTTST-GTXQTCRKSA-N 0 0 401.532 2.600 50 0 HFAARN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000036056090 569084545 /nfs/dbraw/zinc/08/45/45/569084545.db2.gz NSCBGEKVTORKID-ZDUSSCGKSA-N 0 0 413.952 2.735 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000036058254 569084686 /nfs/dbraw/zinc/08/46/86/569084686.db2.gz HVZRHRMCTUMTPB-FHWLQOOXSA-N 0 0 421.526 2.999 50 0 HFAARN O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1ccc(O)cc1 ZINC000006661046 569085205 /nfs/dbraw/zinc/08/52/05/569085205.db2.gz LSEQEPNTQQMTMN-BOPFTXTBSA-N 0 0 400.431 2.927 50 0 HFAARN CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(C)C ZINC000036061746 569085352 /nfs/dbraw/zinc/08/53/52/569085352.db2.gz BUFTWEQWKDLDKE-UHFFFAOYSA-N 0 0 409.534 2.685 50 0 HFAARN COc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)N(C)C(C)C)c1 ZINC000036060918 569085359 /nfs/dbraw/zinc/08/53/59/569085359.db2.gz QYIFTORHYGRWQW-NHCUHLMSSA-N 0 0 416.543 2.966 50 0 HFAARN COC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000006662267 569085460 /nfs/dbraw/zinc/08/54/60/569085460.db2.gz NVRKUKGPVCYSMB-UHFFFAOYSA-N 0 0 416.499 2.683 50 0 HFAARN CCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C(C)C ZINC000036069649 569086118 /nfs/dbraw/zinc/08/61/18/569086118.db2.gz UTMPGFILXWSSBC-UHFFFAOYSA-N 0 0 409.534 2.605 50 0 HFAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036086316 569087935 /nfs/dbraw/zinc/08/79/35/569087935.db2.gz HIHMRFXRZAGWTQ-GOSISDBHSA-N 0 0 420.513 2.896 50 0 HFAARN Cc1cccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087086 569088321 /nfs/dbraw/zinc/08/83/21/569088321.db2.gz QLXKBXBTQCVSFI-UHFFFAOYSA-N 0 0 412.877 2.543 50 0 HFAARN CC(C)c1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087793 569088634 /nfs/dbraw/zinc/08/86/34/569088634.db2.gz NECHRRZSKBKCMX-UHFFFAOYSA-N 0 0 418.497 2.706 50 0 HFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000036088989 569088948 /nfs/dbraw/zinc/08/89/48/569088948.db2.gz JSJDBFVHKODRKW-JKSUJKDBSA-N 0 0 424.476 2.979 50 0 HFAARN CCNC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2cccc(CC)c2)c1=O ZINC000064759392 569090686 /nfs/dbraw/zinc/09/06/86/569090686.db2.gz IQCPLSUZPVKJBB-UHFFFAOYSA-N 0 0 404.470 2.861 50 0 HFAARN C[C@@H](c1nc(-c2ccc3c(c2)nnn3CCN2CCOCC2)no1)c1ccccc1 ZINC000064761091 569091182 /nfs/dbraw/zinc/09/11/82/569091182.db2.gz QJPICOFKVCHAQV-MRXNPFEDSA-N 0 0 404.474 2.965 50 0 HFAARN COc1ccc(CCN2C[C@@H](C(=O)NCc3cc(F)ccc3F)CC2=O)cc1OC ZINC000064761479 569092006 /nfs/dbraw/zinc/09/20/06/569092006.db2.gz DMDYAYDDSLERLN-INIZCTEOSA-N 0 0 418.440 2.689 50 0 HFAARN O=C1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]2c3ccccc3CCN12 ZINC000036108734 569093052 /nfs/dbraw/zinc/09/30/52/569093052.db2.gz OXLVIIIKHHZPLP-KRWDZBQOSA-N 0 0 421.316 2.579 50 0 HFAARN CCOC(=S)SCC(=O)NC(=O)c1ccc(I)cc1 ZINC000036108821 569093196 /nfs/dbraw/zinc/09/31/96/569093196.db2.gz CBKBJXRRCWXLGC-UHFFFAOYSA-N 0 0 409.270 2.602 50 0 HFAARN COc1ccc(CN(C(=O)c2cccs2)c2nn3c(nc(C)c(C)c3=O)[nH]2)cc1 ZINC000064791875 569095791 /nfs/dbraw/zinc/09/57/91/569095791.db2.gz GRIGOUGMVZCHGD-UHFFFAOYSA-N 0 0 409.471 2.952 50 0 HFAARN CCn1c2nc(-c3ccccc3)nn2c(=O)c(CCC(=O)Nc2nccs2)c1C ZINC000064792348 569095952 /nfs/dbraw/zinc/09/59/52/569095952.db2.gz YVZUXQQMGYXMNT-UHFFFAOYSA-N 0 0 408.487 2.914 50 0 HFAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036148170 569098656 /nfs/dbraw/zinc/09/86/56/569098656.db2.gz GWYOBKSCJXWYRG-SFHVURJKSA-N 0 0 420.529 2.670 50 0 HFAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)NC(C)C)CC1 ZINC000036148186 569098788 /nfs/dbraw/zinc/09/87/88/569098788.db2.gz FBYBMWOYLKSCHO-LJQANCHMSA-N 0 0 420.529 2.623 50 0 HFAARN COCC(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000006722388 569099577 /nfs/dbraw/zinc/09/95/77/569099577.db2.gz GRHRKQQPVOKHSC-IBGZPJMESA-N 0 0 403.523 2.645 50 0 HFAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2oc1=O ZINC000064818845 569101656 /nfs/dbraw/zinc/10/16/56/569101656.db2.gz KUKQIRDVXLLWQF-UHFFFAOYSA-N 0 0 418.471 2.965 50 0 HFAARN O=C(NCc1ccccc1F)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000064836635 569104936 /nfs/dbraw/zinc/10/49/36/569104936.db2.gz QBXAYHNNTITLOM-UHFFFAOYSA-N 0 0 401.467 2.601 50 0 HFAARN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000006737791 569106393 /nfs/dbraw/zinc/10/63/93/569106393.db2.gz AELXWTYJDBIUGA-UHFFFAOYSA-N 0 0 403.442 2.872 50 0 HFAARN CCOCCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)c2c(C)onc2c1=O ZINC000064842096 569106929 /nfs/dbraw/zinc/10/69/29/569106929.db2.gz AKHAGVALUMRDKM-UHFFFAOYSA-N 0 0 404.854 2.556 50 0 HFAARN O=C(N[C@@H](C(=O)NC1CC1)C1CCN(C(=O)c2ccccc2)CC1)c1cccs1 ZINC000036209508 569110125 /nfs/dbraw/zinc/11/01/25/569110125.db2.gz JOHKUYUZHAOFBK-LJQANCHMSA-N 0 0 411.527 2.678 50 0 HFAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21 ZINC000064861805 569110501 /nfs/dbraw/zinc/11/05/01/569110501.db2.gz LBDDBKNRQZXATC-UHFFFAOYSA-N 0 0 417.487 2.741 50 0 HFAARN CCC(=O)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)N[C@H](C)C(C)C)CC1 ZINC000036210790 569111173 /nfs/dbraw/zinc/11/11/73/569111173.db2.gz XLUBGBLOOONKFY-UTKZUKDTSA-N 0 0 401.551 2.903 50 0 HFAARN CCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccco2)CC1 ZINC000036210729 569111201 /nfs/dbraw/zinc/11/12/01/569111201.db2.gz DCMSCYGNGMAKPN-FQEVSTJZSA-N 0 0 411.502 2.765 50 0 HFAARN CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2cccc(OC)c2)c2ccccc2N1 ZINC000064869325 569111977 /nfs/dbraw/zinc/11/19/77/569111977.db2.gz OSLIVFCSLXUVLE-UHFFFAOYSA-N 0 0 423.469 2.607 50 0 HFAARN CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccccc2N1 ZINC000064869230 569111994 /nfs/dbraw/zinc/11/19/94/569111994.db2.gz GEBKFXPYLXZRGI-UHFFFAOYSA-N 0 0 407.470 2.907 50 0 HFAARN CC(C)C(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000036212527 569112324 /nfs/dbraw/zinc/11/23/24/569112324.db2.gz ZMMXEQFHTSJYPS-JOCHJYFZSA-N 0 0 421.541 2.996 50 0 HFAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](C)CC)CC1 ZINC000036214641 569112720 /nfs/dbraw/zinc/11/27/20/569112720.db2.gz CZTZDFLPFNHRFR-LPHOPBHVSA-N 0 0 418.607 2.615 50 0 HFAARN Cc1nnc2c(=O)n(CC(=O)Nc3cccc(Br)c3)c3ccccc3n12 ZINC000064871429 569112892 /nfs/dbraw/zinc/11/28/92/569112892.db2.gz GAGDYLIZKXPVEO-UHFFFAOYSA-N 0 0 412.247 2.754 50 0 HFAARN CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000036227780 569114219 /nfs/dbraw/zinc/11/42/19/569114219.db2.gz XKGORKPQTFTGQI-UHFFFAOYSA-N 0 0 419.522 2.894 50 0 HFAARN CCN(CC)c1cc(COC)nc(SCc2ccc(C(=O)NCCOC)o2)n1 ZINC000006765625 569114476 /nfs/dbraw/zinc/11/44/76/569114476.db2.gz MROLURKTGQADDF-UHFFFAOYSA-N 0 0 408.524 2.731 50 0 HFAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccco1 ZINC000064889115 569115883 /nfs/dbraw/zinc/11/58/83/569115883.db2.gz HQXMIWVLQSDMKN-UHFFFAOYSA-N 0 0 416.503 2.510 50 0 HFAARN O=C(CCn1nc(C(=O)N2CCc3ccccc32)ccc1=O)Nc1ccccc1F ZINC000064891643 569117579 /nfs/dbraw/zinc/11/75/79/569117579.db2.gz QWSGBOMPDQTASX-UHFFFAOYSA-N 0 0 406.417 2.614 50 0 HFAARN CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N[C@H](C)c1ccccc1 ZINC000006772527 569117759 /nfs/dbraw/zinc/11/77/59/569117759.db2.gz JZOKEGSNZSULIX-CXAGYDPISA-N 0 0 418.544 2.872 50 0 HFAARN COc1ccccc1CNC(=O)c1nnn(Cc2cccc(Br)c2)c1N ZINC000006772582 569117782 /nfs/dbraw/zinc/11/77/82/569117782.db2.gz MZBXXODCYCQVBB-UHFFFAOYSA-N 0 0 416.279 2.610 50 0 HFAARN CC[C@@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1cccs1 ZINC000006772868 569118179 /nfs/dbraw/zinc/11/81/79/569118179.db2.gz CVEFDACECOEEJQ-OAHLLOKOSA-N 0 0 414.531 2.511 50 0 HFAARN O=C(NCc1ccccn1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000036253400 569119865 /nfs/dbraw/zinc/11/98/65/569119865.db2.gz WDKULEPSONFHNY-JOCHJYFZSA-N 0 0 406.530 2.715 50 0 HFAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)N2CCc3ccccc32)n1C ZINC000064922796 569122382 /nfs/dbraw/zinc/12/23/82/569122382.db2.gz RTMOOPGPOSMVNW-UHFFFAOYSA-N 0 0 401.532 2.957 50 0 HFAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC000006789565 569123546 /nfs/dbraw/zinc/12/35/46/569123546.db2.gz JDOCQNLJUGCBNA-HOTGVXAUSA-N 0 0 400.500 2.687 50 0 HFAARN CCc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000064929811 569123915 /nfs/dbraw/zinc/12/39/15/569123915.db2.gz ILEHKVVTPRWWOA-UHFFFAOYSA-N 0 0 416.522 2.571 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000064929809 569123926 /nfs/dbraw/zinc/12/39/26/569123926.db2.gz XZZJTUUSQXFDPT-UHFFFAOYSA-N 0 0 416.522 2.625 50 0 HFAARN C[C@H](CNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)c1ccccc1 ZINC000006798640 569126530 /nfs/dbraw/zinc/12/65/30/569126530.db2.gz AEQVZVNQGFDWHF-OAHLLOKOSA-N 0 0 413.547 2.801 50 0 HFAARN Cc1cccc(NC(=O)CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccccc2)c1 ZINC000006803803 569130497 /nfs/dbraw/zinc/13/04/97/569130497.db2.gz MPWWXYZLVUBGTA-QZTJIDSGSA-N 0 0 415.540 2.709 50 0 HFAARN O=C(CN1c2ccccc2S(=O)(=O)[C@H](c2ccccc2)CC1=O)N1CCCCC1 ZINC000006806611 569130944 /nfs/dbraw/zinc/13/09/44/569130944.db2.gz KHIHIEIDQMNWKZ-FQEVSTJZSA-N 0 0 412.511 2.951 50 0 HFAARN Cc1cccc(CCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000006808346 569132533 /nfs/dbraw/zinc/13/25/33/569132533.db2.gz QFSYGJVQPNVREC-UHFFFAOYSA-N 0 0 418.497 2.729 50 0 HFAARN CCC(=O)N1CCN([C@@H](C(=O)Nc2cc(OC)cc(OC)c2)C2CCCC2)CC1 ZINC000036311671 569133246 /nfs/dbraw/zinc/13/32/46/569133246.db2.gz BRARGPIRIWUGGT-OAQYLSRUSA-N 0 0 403.523 2.755 50 0 HFAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)c1 ZINC000064958128 569134422 /nfs/dbraw/zinc/13/44/22/569134422.db2.gz ZCAGMKCBSSGHRN-CYBMUJFWSA-N 0 0 412.462 2.782 50 0 HFAARN COC(=O)c1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O ZINC000064959276 569134941 /nfs/dbraw/zinc/13/49/41/569134941.db2.gz HHURREPGRGCAOG-LBPRGKRZSA-N 0 0 406.394 2.920 50 0 HFAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)cc1F ZINC000064958268 569134942 /nfs/dbraw/zinc/13/49/42/569134942.db2.gz CWUYASPBSGJCPH-HNNXBMFYSA-N 0 0 408.499 2.951 50 0 HFAARN CCOc1ccccc1C(=O)N(Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000006810927 569135783 /nfs/dbraw/zinc/13/57/83/569135783.db2.gz NHGJWCBBUMLSRV-KRWDZBQOSA-N 0 0 403.500 2.923 50 0 HFAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000006815658 569137512 /nfs/dbraw/zinc/13/75/12/569137512.db2.gz OUZJGHOKHZWSLX-UHFFFAOYSA-N 0 0 415.449 2.859 50 0 HFAARN Cc1ccc(CCNC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)cc1 ZINC000006817004 569137660 /nfs/dbraw/zinc/13/76/60/569137660.db2.gz IGMSNTWSVATOQZ-UHFFFAOYSA-N 0 0 409.515 2.633 50 0 HFAARN CCOc1ccc(S(=O)(=O)NCCc2nnc(Cc3cccc(C)c3)[nH]2)cc1 ZINC000064969879 569138577 /nfs/dbraw/zinc/13/85/77/569138577.db2.gz DNABNNPVCWOGLG-UHFFFAOYSA-N 0 0 400.504 2.624 50 0 HFAARN CCCc1nc2c3ccccc3n(CC(=O)c3ccc(OC)c(OC)c3)c(=O)n2n1 ZINC000064977830 569140112 /nfs/dbraw/zinc/14/01/12/569140112.db2.gz WQNHKDSOALNILZ-UHFFFAOYSA-N 0 0 406.442 2.897 50 0 HFAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCC(C(N)=O)CC4)C3)sc2c1 ZINC000006821112 569140472 /nfs/dbraw/zinc/14/04/72/569140472.db2.gz SXSIEXDHURGXDP-OAHLLOKOSA-N 0 0 416.547 2.635 50 0 HFAARN COc1ccc(C2=NN(C(=O)CN3CCN(C)CC3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344920 569142543 /nfs/dbraw/zinc/14/25/43/569142543.db2.gz SIAHIFAILXUYKA-HSZRJFAPSA-N 0 0 406.530 2.929 50 0 HFAARN COc1cccc(CNC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)c1 ZINC000064989480 569145977 /nfs/dbraw/zinc/14/59/77/569145977.db2.gz MZDUKFWAWUWNDH-UHFFFAOYSA-N 0 0 404.470 2.919 50 0 HFAARN Cc1cccc(OCC(=O)NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064990970 569146676 /nfs/dbraw/zinc/14/66/76/569146676.db2.gz PRKAVNOHFIEBKO-UHFFFAOYSA-N 0 0 400.435 2.933 50 0 HFAARN COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OC ZINC000064988522 569146859 /nfs/dbraw/zinc/14/68/59/569146859.db2.gz UMJWQODKEOGIFB-SFHVURJKSA-N 0 0 420.487 2.568 50 0 HFAARN COc1ccccc1NC(=O)Cc1noc(C(=O)NCc2ccccc2Cl)n1 ZINC000036357464 569148966 /nfs/dbraw/zinc/14/89/66/569148966.db2.gz HLYUJYKNVINTKS-UHFFFAOYSA-N 0 0 400.822 2.843 50 0 HFAARN CCc1ccc(S(=O)(=O)NCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000064991777 569149169 /nfs/dbraw/zinc/14/91/69/569149169.db2.gz AYQYORLPJRCRHV-UHFFFAOYSA-N 0 0 420.491 2.970 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@H](CCSC)c2nnc3ccccn32)cc1F ZINC000036359439 569150770 /nfs/dbraw/zinc/15/07/70/569150770.db2.gz BQAMGXKWJHBBGV-CQSZACIVSA-N 0 0 410.496 2.650 50 0 HFAARN Cn1nc(C(=O)NCc2cccc(Cl)c2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000006839772 569151114 /nfs/dbraw/zinc/15/11/14/569151114.db2.gz JFNITDZEWOMINB-UHFFFAOYSA-N 0 0 401.875 2.958 50 0 HFAARN CCCCn1nnnc1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000006843421 569152652 /nfs/dbraw/zinc/15/26/52/569152652.db2.gz NYOULFRNUNOBJI-QFIPXVFZSA-N 0 0 404.474 2.663 50 0 HFAARN CCCNS(=O)(=O)c1cc(-c2c(CCC)nn3c2NC(=O)CCC3=O)ccc1C ZINC000065011109 569153696 /nfs/dbraw/zinc/15/36/96/569153696.db2.gz JKJMCRBGWBQWCN-UHFFFAOYSA-N 0 0 418.519 2.872 50 0 HFAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCCCN4CCOCC4)C3)nc2)cc1 ZINC000065023422 569154972 /nfs/dbraw/zinc/15/49/72/569154972.db2.gz XFXARDMBGKHUHU-OAQYLSRUSA-N 0 0 423.561 2.507 50 0 HFAARN Cc1ccc(C(=O)N2CCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1C ZINC000065024354 569155327 /nfs/dbraw/zinc/15/53/27/569155327.db2.gz ZBPQHCWFFLRJPG-UHFFFAOYSA-N 0 0 412.534 2.751 50 0 HFAARN COCCNC(=O)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1 ZINC000065027226 569155991 /nfs/dbraw/zinc/15/59/91/569155991.db2.gz MLBIDGWOBQDXOB-UHFFFAOYSA-N 0 0 401.444 2.944 50 0 HFAARN O=c1c2ccccc2ncn1C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000065034500 569158154 /nfs/dbraw/zinc/15/81/54/569158154.db2.gz MDPAYLOXFNQPDG-UHFFFAOYSA-N 0 0 405.426 2.701 50 0 HFAARN COc1ccc(-c2ccc3nnc(CNC(=O)COc4cccc(C)c4)n3n2)cc1 ZINC000169750963 569158278 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CC[C@@H](C)NC(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O ZINC000065196572 569194699 /nfs/dbraw/zinc/19/46/99/569194699.db2.gz WQTZAQHCEJPWPY-LLVKDONJSA-N 0 0 407.396 2.800 50 0 HFAARN COCc1cc2nn(CC(=O)Nc3cc(F)ccc3C)c(=O)n2c(-c2ccccc2)n1 ZINC000065196596 569194761 /nfs/dbraw/zinc/19/47/61/569194761.db2.gz YWCRMTFSICVGFX-UHFFFAOYSA-N 0 0 421.432 2.791 50 0 HFAARN CCC(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(c4ccc(C)cc4)CC3)c2)nc1 ZINC000065196946 569194980 /nfs/dbraw/zinc/19/49/80/569194980.db2.gz NVZJHVXIAZAOSY-UHFFFAOYSA-N 0 0 418.501 2.887 50 0 HFAARN CSc1ncccc1C(=O)NCCn1c2ncccc2n(Cc2ccccc2)c1=O ZINC000065202826 569195188 /nfs/dbraw/zinc/19/51/88/569195188.db2.gz CNAVKUCMHNILRU-UHFFFAOYSA-N 0 0 419.510 2.793 50 0 HFAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987555 569195885 /nfs/dbraw/zinc/19/58/85/569195885.db2.gz VJCFJAMOZUYFNB-UHFFFAOYSA-N 0 0 411.546 2.997 50 0 HFAARN COCCOC(=O)c1sc2[nH]c(CN(C)Cc3ccccc3F)nc(=O)c2c1C ZINC000007004399 569198392 /nfs/dbraw/zinc/19/83/92/569198392.db2.gz FYYBYGRMUSMABU-UHFFFAOYSA-N 0 0 419.478 2.867 50 0 HFAARN CC(C)N(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000007003131 569199048 /nfs/dbraw/zinc/19/90/48/569199048.db2.gz HYEZEPBOPWSVHP-UHFFFAOYSA-N 0 0 416.499 2.733 50 0 HFAARN COc1ccc(NC(=O)C2CCN(c3cncnc3N3CCCC3)CC2)cc1OC ZINC000065226342 569199855 /nfs/dbraw/zinc/19/98/55/569199855.db2.gz PMCCZVHIFTYZIQ-UHFFFAOYSA-N 0 0 411.506 2.949 50 0 HFAARN Cc1cc(C)c(CNC(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)c(C)c1 ZINC000065226767 569200068 /nfs/dbraw/zinc/20/00/68/569200068.db2.gz RYIYKOWUPAHTCW-UHFFFAOYSA-N 0 0 423.561 2.771 50 0 HFAARN C[C@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1ccc(F)cc1 ZINC000065226782 569200141 /nfs/dbraw/zinc/20/01/41/569200141.db2.gz KDKSRZQJOBFLKM-INIZCTEOSA-N 0 0 413.497 2.546 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000007007462 569200166 /nfs/dbraw/zinc/20/01/66/569200166.db2.gz COLUJQQYSUUASE-HNNXBMFYSA-N 0 0 410.426 2.626 50 0 HFAARN O=C1[C@@H](NS(=O)(=O)c2ccc(Br)cc2)CCN1c1ccc(F)cc1 ZINC000065229239 569200407 /nfs/dbraw/zinc/20/04/07/569200407.db2.gz HGUYYAGVJQJKRY-HNNXBMFYSA-N 0 0 413.268 2.672 50 0 HFAARN COc1ccc(CNC(=O)C2CCN(c3ncccc3-c3noc(C)n3)CC2)cc1 ZINC000065227570 569200455 /nfs/dbraw/zinc/20/04/55/569200455.db2.gz PUYXKCVTRQJFKZ-UHFFFAOYSA-N 0 0 407.474 2.981 50 0 HFAARN Cc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 ZINC000007025415 569201496 /nfs/dbraw/zinc/20/14/96/569201496.db2.gz QZPNZFYQJGCHPA-UHFFFAOYSA-N 0 0 408.499 2.698 50 0 HFAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)c2ccc(F)cc2N3C)c1 ZINC000065233268 569202204 /nfs/dbraw/zinc/20/22/04/569202204.db2.gz YAPDGXNMHJDMCQ-UHFFFAOYSA-N 0 0 413.449 2.655 50 0 biogenic HFAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCCCC5)n4)ccn3n2)cc1 ZINC000065235786 569202428 /nfs/dbraw/zinc/20/24/28/569202428.db2.gz UTGRPZHKWNAHJG-UHFFFAOYSA-N 0 0 404.474 2.889 50 0 HFAARN Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)c1C ZINC000065237457 569202907 /nfs/dbraw/zinc/20/29/07/569202907.db2.gz DATHBPMFBDFDOD-UHFFFAOYSA-N 0 0 417.531 2.669 50 0 HFAARN C=C1C(N2CCC(NC(=O)C3CCCC3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239143 569203102 /nfs/dbraw/zinc/20/31/02/569203102.db2.gz KDSZWCNLRZSNIT-UHFFFAOYSA-N 0 0 401.532 2.930 50 0 HFAARN COc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2c1 ZINC000065245514 569205346 /nfs/dbraw/zinc/20/53/46/569205346.db2.gz QZEZPIMFSQWTDH-UHFFFAOYSA-N 0 0 415.490 2.549 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000036601910 569205348 /nfs/dbraw/zinc/20/53/48/569205348.db2.gz HUGIRZIBRUGHOD-IRWQIABSSA-N 0 0 400.479 2.663 50 0 HFAARN O=S(=O)(c1cc(-c2nnc(C3CC3)o2)co1)N1CCN(c2ccccc2)CC1 ZINC000065246634 569205639 /nfs/dbraw/zinc/20/56/39/569205639.db2.gz WDNCSRNDJCMTMH-UHFFFAOYSA-N 0 0 400.460 2.718 50 0 HFAARN Cc1cc(C(=O)Nc2ncnc3c2cnn3C)c2cnn(-c3ccccc3F)c2n1 ZINC000036616982 569207894 /nfs/dbraw/zinc/20/78/94/569207894.db2.gz OUZBFGUTUBDOEL-UHFFFAOYSA-N 0 0 402.393 2.797 50 0 HFAARN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)[nH]n2)cc1OC ZINC000524729856 569211892 /nfs/dbraw/zinc/21/18/92/569211892.db2.gz MABVJSKHAKNDCR-ALKREAHSSA-N 0 0 424.501 2.567 50 0 biogenic HFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCn1ccc2ccccc21 ZINC000524732367 569212546 /nfs/dbraw/zinc/21/25/46/569212546.db2.gz WAVPJZVZORDPJJ-IBGZPJMESA-N 0 0 404.470 2.679 50 0 HFAARN COc1cc([C@@H](CC(=O)NCCc2ccccn2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524732070 569212639 /nfs/dbraw/zinc/21/26/39/569212639.db2.gz VYEKCJNJMWYYFE-QGZVFWFLSA-N 0 0 424.453 2.644 50 0 biogenic HFAARN COc1ccc([C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C(C)C)cc1OC ZINC000524733197 569212811 /nfs/dbraw/zinc/21/28/11/569212811.db2.gz DNLKUQBMCJFYKD-FQEVSTJZSA-N 0 0 411.458 2.633 50 0 HFAARN COc1ccc([C@H](NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C(C)C)cc1OC ZINC000524733198 569212837 /nfs/dbraw/zinc/21/28/37/569212837.db2.gz DNLKUQBMCJFYKD-HXUWFJFHSA-N 0 0 411.458 2.633 50 0 HFAARN COCCN=C1Nc2ccccc2CN[C@]12CCN(C(=O)c1ccc(OC)cc1C)C2 ZINC000065265772 569212921 /nfs/dbraw/zinc/21/29/21/569212921.db2.gz GMXVFIFDSWDNII-DEOSSOPVSA-N 0 0 422.529 2.658 50 0 biogenic HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000524734284 569213510 /nfs/dbraw/zinc/21/35/10/569213510.db2.gz PSSPRTLFMBOPFD-OALUTQOASA-N 0 0 420.444 2.941 50 0 HFAARN C=C1C(N2CCCN(C(=O)NCCC(C)C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271967 569215467 /nfs/dbraw/zinc/21/54/67/569215467.db2.gz DJFKMCCMQOSHPG-UHFFFAOYSA-N 0 0 418.563 2.923 50 0 HFAARN O=C(NCCc1cccs1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272810 569215990 /nfs/dbraw/zinc/21/59/90/569215990.db2.gz LMNDILGOKBVFNF-CQSZACIVSA-N 0 0 404.557 2.746 50 0 HFAARN COc1cccc(NC(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)c1 ZINC000065273291 569216028 /nfs/dbraw/zinc/21/60/28/569216028.db2.gz NSZUEILYJZQYFM-HNNXBMFYSA-N 0 0 414.531 2.564 50 0 HFAARN COc1ccc(CCC(=O)Nc2cnn(-c3ncncc3N3CCSCC3)c2)cc1 ZINC000065283056 569216372 /nfs/dbraw/zinc/21/63/72/569216372.db2.gz WAQHYUDXNQZNLH-UHFFFAOYSA-N 0 0 424.530 2.795 50 0 HFAARN CCc1ccccc1S(=O)(=O)N1CCN([C@]2(CC)CCN(C(=O)C(C)C)C2)CC1 ZINC000065292035 569217733 /nfs/dbraw/zinc/21/77/33/569217733.db2.gz XKJLNNGYMHFEOT-JOCHJYFZSA-N 0 0 421.607 2.592 50 0 HFAARN COc1ccc([C@@H](C)NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1F ZINC000007077686 569217839 /nfs/dbraw/zinc/21/78/39/569217839.db2.gz RPYKLPIDHGUVHT-CQSZACIVSA-N 0 0 413.449 2.568 50 0 HFAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000065289594 569217852 /nfs/dbraw/zinc/21/78/52/569217852.db2.gz UBIBEYNXVQUQQA-CYBMUJFWSA-N 0 0 422.407 2.955 50 0 HFAARN COc1ccc([C@H](C)NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1F ZINC000007077676 569217928 /nfs/dbraw/zinc/21/79/28/569217928.db2.gz RPYKLPIDHGUVHT-AWEZNQCLSA-N 0 0 413.449 2.568 50 0 HFAARN O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn21)Nc1nccs1 ZINC000036673887 569219519 /nfs/dbraw/zinc/21/95/19/569219519.db2.gz CCZDZSOBJWIIOH-UHFFFAOYSA-N 0 0 412.456 2.707 50 0 HFAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NCc1cccs1 ZINC000007095184 569219540 /nfs/dbraw/zinc/21/95/40/569219540.db2.gz SLRIUEGHQFUJPS-GFCCVEGCSA-N 0 0 411.512 2.967 50 0 HFAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NCc1cccs1 ZINC000007095178 569219626 /nfs/dbraw/zinc/21/96/26/569219626.db2.gz SLRIUEGHQFUJPS-LBPRGKRZSA-N 0 0 411.512 2.967 50 0 HFAARN Cc1cc2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n2c(Nc2ccccc2)n1 ZINC000065307763 569219855 /nfs/dbraw/zinc/21/98/55/569219855.db2.gz YHRFESKSULAYJL-UHFFFAOYSA-N 0 0 410.384 2.860 50 0 HFAARN COc1ccc(C)cc1NC(=O)Cn1nc2nc(Nc3ccc(C)cc3)ccn2c1=O ZINC000065308087 569220076 /nfs/dbraw/zinc/22/00/76/569220076.db2.gz MTAFWTPSIAAKJC-UHFFFAOYSA-N 0 0 418.457 2.899 50 0 HFAARN Cc1ccc(Nc2ccn3c(nn(CC(=O)Nc4cc(F)ccc4F)c3=O)n2)cc1 ZINC000065308091 569220105 /nfs/dbraw/zinc/22/01/05/569220105.db2.gz KCQOZKUGNCGQGM-UHFFFAOYSA-N 0 0 410.384 2.860 50 0 HFAARN COc1ccc(CN2CCCN(CC(=O)Nc3ccccc3Cl)S2(=O)=O)cc1 ZINC000065302106 569220320 /nfs/dbraw/zinc/22/03/20/569220320.db2.gz VVNNNADWIPAKLY-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)c(C)c1 ZINC000065302116 569220334 /nfs/dbraw/zinc/22/03/34/569220334.db2.gz LAGCKUUWAPMLHM-UHFFFAOYSA-N 0 0 405.495 2.834 50 0 HFAARN CC1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)CC1 ZINC000065307167 569220866 /nfs/dbraw/zinc/22/08/66/569220866.db2.gz CPAWTTQOXUPPKP-UHFFFAOYSA-N 0 0 403.486 2.959 50 0 HFAARN CC[C@@H](C)NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319225 569221921 /nfs/dbraw/zinc/22/19/21/569221921.db2.gz ANXAEHNTYPWRNK-CQSZACIVSA-N 0 0 406.508 2.830 50 0 HFAARN O=C(NCCc1cccnc1)C1CCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000065312510 569222143 /nfs/dbraw/zinc/22/21/43/569222143.db2.gz VCZAJOLVEKUCBP-UHFFFAOYSA-N 0 0 418.423 2.718 50 0 HFAARN O=C(COC(=O)c1cc2c(s1)CCC2)N1CCN(Cc2ccccc2F)CC1 ZINC000036700236 569222690 /nfs/dbraw/zinc/22/26/90/569222690.db2.gz LWWXFESUADEQJZ-UHFFFAOYSA-N 0 0 402.491 2.877 50 0 HFAARN O=C(COc1ccc2ccccc2c1)NCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000036700460 569222842 /nfs/dbraw/zinc/22/28/42/569222842.db2.gz WRZGTOWSVYAGKM-QFIPXVFZSA-N 0 0 404.466 2.935 50 0 HFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065313997 569223091 /nfs/dbraw/zinc/22/30/91/569223091.db2.gz VUHDVOVQKBUHPM-FQEVSTJZSA-N 0 0 420.488 2.964 50 0 HFAARN Cn1c(=O)c2sc(N3CCCC3)nc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000065319805 569223579 /nfs/dbraw/zinc/22/35/79/569223579.db2.gz HZQJVGKAQTUBMI-UHFFFAOYSA-N 0 0 419.507 2.860 50 0 HFAARN Cn1c(=O)n(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1-c1cccs1 ZINC000036708597 569223632 /nfs/dbraw/zinc/22/36/32/569223632.db2.gz PDKOCMSDSIEZNE-UHFFFAOYSA-N 0 0 420.922 2.938 50 0 HFAARN COc1cccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 ZINC000036709059 569223851 /nfs/dbraw/zinc/22/38/51/569223851.db2.gz FHRANVJKSASSQR-UHFFFAOYSA-N 0 0 401.507 2.838 50 0 HFAARN C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NCc1ccccc1Cl ZINC000007190600 569227989 /nfs/dbraw/zinc/22/79/89/569227989.db2.gz SUAICMIDPHHWQF-GFCCVEGCSA-N 0 0 413.952 2.782 50 0 HFAARN CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O ZINC000007179753 569227574 /nfs/dbraw/zinc/22/75/74/569227574.db2.gz RJDPTSWNXUKUMD-MRXNPFEDSA-N 0 0 409.467 2.677 50 0 HFAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(I)c1)CS2 ZINC000007264806 569230934 /nfs/dbraw/zinc/23/09/34/569230934.db2.gz XTGSYFJHTKLESG-SMDDNHRTSA-N 0 0 402.257 2.684 50 0 HFAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)c1c[nH]c2ccccc21 ZINC000007271202 569231554 /nfs/dbraw/zinc/23/15/54/569231554.db2.gz IQCASMJCZBYRFJ-STQMWFEESA-N 0 0 418.544 2.637 50 0 HFAARN Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1F ZINC000065488279 569231871 /nfs/dbraw/zinc/23/18/71/569231871.db2.gz UDHHKMVKWVWHFL-NRFANRHFSA-N 0 0 424.472 2.771 50 0 HFAARN CS(=O)(=O)N1CCc2cc(C(=O)CSc3n[nH]c(-c4ccccc4)n3)ccc21 ZINC000007294315 569232635 /nfs/dbraw/zinc/23/26/35/569232635.db2.gz YCFYEXQQJAGQSX-UHFFFAOYSA-N 0 0 414.512 2.769 50 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559249903 /nfs/dbraw/zinc/24/99/03/559249903.db2.gz LFRBEIYRNXNMRT-QZTJIDSGSA-N 0 0 406.442 2.765 50 0 HFAARN COC(=O)c1c(C)[nH]c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1C ZINC000409413861 559250885 /nfs/dbraw/zinc/25/08/85/559250885.db2.gz LHJFWJOCZCRWBI-CQSZACIVSA-N 0 0 414.458 2.957 50 0 biogenic HFAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000005144539 559252357 /nfs/dbraw/zinc/25/23/57/559252357.db2.gz BMTGPHWHMNFXMH-UHFFFAOYSA-N 0 0 405.845 2.996 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)sc2n1 ZINC000005148952 559253116 /nfs/dbraw/zinc/25/31/16/559253116.db2.gz MLSVIXTZOXTGTN-AWEZNQCLSA-N 0 0 411.531 2.596 50 0 HFAARN CCOc1ccccc1-c1nc2c([nH]c(=O)n2-c2ccc(Cl)cc2)c(C(N)=O)n1 ZINC000005151575 559253896 /nfs/dbraw/zinc/25/38/96/559253896.db2.gz HHQZUUWCBDIUHY-UHFFFAOYSA-N 0 0 409.833 2.927 50 0 HFAARN Cc1ccc(Cn2nnc3c2ncn(Cc2nc(-c4cccs4)no2)c3=O)cc1 ZINC000038486650 559256137 /nfs/dbraw/zinc/25/61/37/559256137.db2.gz HNDNIKHNULWYLJ-UHFFFAOYSA-N 0 0 405.443 2.505 50 0 HFAARN CCOc1ccc(-c2nc(NC(=O)Cn3cnc4c(cnn4C)c3=O)sc2C)cc1 ZINC000011809372 559260160 /nfs/dbraw/zinc/26/01/60/559260160.db2.gz XBTUXPTXJXOAIO-UHFFFAOYSA-N 0 0 424.486 2.599 50 0 HFAARN CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C)c1cccs1 ZINC000011836479 559261233 /nfs/dbraw/zinc/26/12/33/559261233.db2.gz MWVNLWHZKVLHKX-KRWDZBQOSA-N 0 0 423.560 2.821 50 0 HFAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)cc1Cc1ccccc1 ZINC000011836569 559261280 /nfs/dbraw/zinc/26/12/80/559261280.db2.gz ZWMKXJWSAKKQIA-UHFFFAOYSA-N 0 0 415.449 2.928 50 0 HFAARN COc1cccc(COc2coc(C(=O)NCc3ccc4c(c3)OCO4)cc2=O)c1 ZINC000011856942 559262458 /nfs/dbraw/zinc/26/24/58/559262458.db2.gz QIKRJHYIXDZSMZ-UHFFFAOYSA-N 0 0 409.394 2.886 50 0 HFAARN C[C@@H]1CCC[C@H](N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)[C@H]1C ZINC000248147898 559265398 /nfs/dbraw/zinc/26/53/98/559265398.db2.gz IFIRXTQZNUEPRU-JYRKZWEQSA-N 0 0 411.546 2.644 50 0 HFAARN CC(=O)Oc1ccc(N2C(=O)C[C@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000100789000 559267097 /nfs/dbraw/zinc/26/70/97/559267097.db2.gz TVAWJIIBDOZLEA-NRFANRHFSA-N 0 0 403.438 2.783 50 0 biogenic HFAARN CCOc1c(Br)cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OC ZINC000062580937 559273787 /nfs/dbraw/zinc/27/37/87/559273787.db2.gz DLEXTYGHWIODLZ-HNNXBMFYSA-N 0 0 419.275 2.913 50 0 HFAARN CCCCNC(=O)[C@H]1CN(C(=S)NCC)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000040400242 559275316 /nfs/dbraw/zinc/27/53/16/559275316.db2.gz OQHDAJRNABZGHN-HOTGVXAUSA-N 0 0 423.579 2.539 50 0 HFAARN CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc(N(C)C)cc1 ZINC000252430833 559277122 /nfs/dbraw/zinc/27/71/22/559277122.db2.gz NCBVHAIPGVVKHY-XQQXVUDOSA-N 0 0 419.518 2.696 50 0 HFAARN CCOC(=O)c1cnc2c(C)cc(Br)cc2c1N1CC[C@@H](C(N)=O)C1 ZINC000050930260 559281568 /nfs/dbraw/zinc/28/15/68/559281568.db2.gz HENFCVVNCOOZEM-LLVKDONJSA-N 0 0 406.280 2.794 50 0 HFAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1OC)CN(C(C)=O)CC2 ZINC000005169453 559287264 /nfs/dbraw/zinc/28/72/64/559287264.db2.gz YLEXOTMHKQYUNO-UHFFFAOYSA-N 0 0 418.471 2.709 50 0 HFAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)NCc2ccccn2)cc1 ZINC000061717498 559292631 /nfs/dbraw/zinc/29/26/31/559292631.db2.gz RBZCMEDGXIZVAW-JOCHJYFZSA-N 0 0 402.454 2.973 50 0 HFAARN COc1cccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000061719120 559293522 /nfs/dbraw/zinc/29/35/22/559293522.db2.gz YNSPQZZDAWOYOB-UHFFFAOYSA-N 0 0 402.882 2.819 50 0 HFAARN C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)c1ccccc1 ZINC000005203680 560538350 /nfs/dbraw/zinc/53/83/50/560538350.db2.gz MQLVGZWLIBBNSV-PREVHVLTSA-N 0 0 409.511 2.639 50 0 HFAARN C[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)c1ccccc1 ZINC000005203706 560538359 /nfs/dbraw/zinc/53/83/59/560538359.db2.gz MQLVGZWLIBBNSV-DUGAHGDYSA-N 0 0 409.511 2.639 50 0 HFAARN CC(C)CN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1=O ZINC000005212479 560542620 /nfs/dbraw/zinc/54/26/20/560542620.db2.gz IDFLTEPAXPJZAC-SNVBAGLBSA-N 0 0 400.262 2.617 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C)c1C ZINC000005240556 560549237 /nfs/dbraw/zinc/54/92/37/560549237.db2.gz AZKJBTXPKIVHLA-UHFFFAOYSA-N 0 0 404.488 2.585 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCCCC1 ZINC000005246240 560550589 /nfs/dbraw/zinc/55/05/89/560550589.db2.gz RRHQUHOKDWMYPW-LZJOCLMNSA-N 0 0 415.534 2.592 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1F ZINC000005250694 560551341 /nfs/dbraw/zinc/55/13/41/560551341.db2.gz ZKEXDBPCMIRQMV-UHFFFAOYSA-N 0 0 414.480 2.565 50 0 HFAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000005265329 560553529 /nfs/dbraw/zinc/55/35/29/560553529.db2.gz VBCNHSYWLPRHGI-UHFFFAOYSA-N 0 0 412.515 2.943 50 0 HFAARN CC(C)[C@@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000206234317 560555067 /nfs/dbraw/zinc/55/50/67/560555067.db2.gz LIXIBEIPXUUCRL-UYAOXDASSA-N 0 0 419.485 2.907 50 0 HFAARN CC(C)NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000005294136 560562233 /nfs/dbraw/zinc/56/22/33/560562233.db2.gz AULVQHMHUZPUCZ-INIZCTEOSA-N 0 0 402.520 2.637 50 0 HFAARN Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 ZINC000005346882 560570541 /nfs/dbraw/zinc/57/05/41/560570541.db2.gz VTCMSJISQSNTPU-OAQYLSRUSA-N 0 0 418.497 2.995 50 0 HFAARN Cc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c(O)c1 ZINC000005348718 560571102 /nfs/dbraw/zinc/57/11/02/560571102.db2.gz VSBULRNYXRPYQJ-JOCHJYFZSA-N 0 0 417.465 2.839 50 0 HFAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccn2)CSC3)c(C)c1 ZINC000005381113 560577616 /nfs/dbraw/zinc/57/76/16/560577616.db2.gz MBVOQGPSRITRKK-UHFFFAOYSA-N 0 0 407.499 2.886 50 0 HFAARN CCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000005380842 560577640 /nfs/dbraw/zinc/57/76/40/560577640.db2.gz NIZRULYIZUSNGG-UHFFFAOYSA-N 0 0 418.497 2.658 50 0 HFAARN Cc1cccc(C)c1-n1nnnc1S[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000005391588 560582366 /nfs/dbraw/zinc/58/23/66/560582366.db2.gz OMZOTCQQLFPTCL-CQSZACIVSA-N 0 0 411.487 2.805 50 0 HFAARN CCC(=O)Nc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 ZINC000005428183 560585928 /nfs/dbraw/zinc/58/59/28/560585928.db2.gz XVAGQOMTARGASA-UHFFFAOYSA-N 0 0 401.426 2.814 50 0 HFAARN O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003217649 560589677 /nfs/dbraw/zinc/58/96/77/560589677.db2.gz AIESTVBKWBBFGZ-HNNXBMFYSA-N 0 0 400.928 2.814 50 0 HFAARN NC(=O)NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000003421374 560594488 /nfs/dbraw/zinc/59/44/88/560594488.db2.gz KGVJRFQFYWWEDD-UHFFFAOYSA-N 0 0 401.879 2.934 50 0 HFAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000003497041 560595745 /nfs/dbraw/zinc/59/57/45/560595745.db2.gz ABJRZVAJCNYWJR-UHFFFAOYSA-N 0 0 415.475 2.809 50 0 HFAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 ZINC000003543087 560596327 /nfs/dbraw/zinc/59/63/27/560596327.db2.gz MYZODZNFSOKPIU-UHFFFAOYSA-N 0 0 416.462 2.752 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCCCOC(C)C ZINC000005482822 560596329 /nfs/dbraw/zinc/59/63/29/560596329.db2.gz MHVDCLWTSSRTGT-LPHOPBHVSA-N 0 0 415.538 2.912 50 0 HFAARN COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)coc2c1 ZINC000003609695 560596877 /nfs/dbraw/zinc/59/68/77/560596877.db2.gz NAFJIQQNUHBEJM-UHFFFAOYSA-N 0 0 414.483 2.517 50 0 HFAARN COc1cccc(OC)c1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000005538055 560606410 /nfs/dbraw/zinc/60/64/10/560606410.db2.gz SOIUMFVHGWPNCY-UHFFFAOYSA-N 0 0 420.849 2.611 50 0 HFAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000004958797 560617445 /nfs/dbraw/zinc/61/74/45/560617445.db2.gz QLZAFYJTTFIEIR-CQSZACIVSA-N 0 0 411.332 2.698 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000005392604 560625423 /nfs/dbraw/zinc/62/54/23/560625423.db2.gz CPEFOSIYFCSXBW-UHFFFAOYSA-N 0 0 411.527 2.860 50 0 HFAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(CC(N)=O)C(C)C)cc1 ZINC000008532689 560637428 /nfs/dbraw/zinc/63/74/28/560637428.db2.gz PXFCUCUIWBMSAB-OAQYLSRUSA-N 0 0 408.502 2.569 50 0 HFAARN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 ZINC000002595059 560671536 /nfs/dbraw/zinc/67/15/36/560671536.db2.gz MNPOCBFWNJHZHJ-KBPBESRZSA-N 0 0 415.925 2.618 50 0 biogenic HFAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C(=O)Nc1ccccc1 ZINC000017190546 560703345 /nfs/dbraw/zinc/70/33/45/560703345.db2.gz VXKIEXKPEUNOOD-UHFFFAOYSA-N 0 0 409.446 2.894 50 0 HFAARN CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000017395735 560714473 /nfs/dbraw/zinc/71/44/73/560714473.db2.gz MQPBDNIFLUNUEQ-UHFFFAOYSA-N 0 0 407.923 2.553 50 0 HFAARN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000000851086 560725932 /nfs/dbraw/zinc/72/59/32/560725932.db2.gz JICBMKRSRLFDHC-UHFFFAOYSA-N 0 0 400.250 2.665 50 0 HFAARN O=S(=O)(NCc1ccc([C@@H](O)c2ccco2)s1)c1ccc2c(c1)OCCO2 ZINC000206686126 560729589 /nfs/dbraw/zinc/72/95/89/560729589.db2.gz FAUZIORWDCZEDK-SFHVURJKSA-N 0 0 407.469 2.673 50 0 HFAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000014731276 560746244 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/nfs/dbraw/zinc/61/90/30/568619030.db2.gz MCQKKFIQMOQQHS-MRXNPFEDSA-N 0 0 411.376 2.738 50 0 HFAARN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C[C@@H]1O ZINC000095464972 568622728 /nfs/dbraw/zinc/62/27/28/568622728.db2.gz VEYOVXYWCIKBNL-NRSPTQNISA-N 0 0 416.562 2.950 50 0 HFAARN Cc1cc(O)cc(=O)n1CCCC(=O)Nc1cccc(-c2nnc3ccccn32)c1 ZINC000095472554 568627894 /nfs/dbraw/zinc/62/78/94/568627894.db2.gz RMXPTUZKYURSKW-UHFFFAOYSA-N 0 0 403.442 2.991 50 0 HFAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)n[nH]2)cc1OC ZINC000095473039 568628253 /nfs/dbraw/zinc/62/82/53/568628253.db2.gz VHNBMMCKQLADGQ-UHFFFAOYSA-N 0 0 404.430 2.986 50 0 HFAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000095473168 568628698 /nfs/dbraw/zinc/62/86/98/568628698.db2.gz VPZMCXFOKQQIQL-INIZCTEOSA-N 0 0 421.482 2.901 50 0 HFAARN COc1ccc(-n2cc(C(=O)Nc3cnn(C)c3)c3ccccc3c2=O)c(OC)c1 ZINC000095475002 568629607 /nfs/dbraw/zinc/62/96/07/568629607.db2.gz RFSZRKQNKLSNFD-UHFFFAOYSA-N 0 0 404.426 2.994 50 0 HFAARN COc1ccc(CN2CCN(C(=O)c3nc(C)sc3C)CC2)c(OC)c1OC ZINC000095476124 568630338 /nfs/dbraw/zinc/63/03/38/568630338.db2.gz WUSDNQFKXGQYPE-UHFFFAOYSA-N 0 0 405.520 2.744 50 0 HFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc(C(C)C)s1)C=C2 ZINC000095477170 568631041 /nfs/dbraw/zinc/63/10/41/568631041.db2.gz WEBHKSWLGXMVOU-UHFFFAOYSA-N 0 0 402.476 2.673 50 0 HFAARN COc1ccc([C@H]2[C@H](C(=O)NCCc3c[nH]cn3)c3ccccc3C(=O)N2C)cc1 ZINC000095479282 568632426 /nfs/dbraw/zinc/63/24/26/568632426.db2.gz WNEHNKWMYHWEQZ-RTWAWAEBSA-N 0 0 404.470 2.688 50 0 HFAARN COc1ccc(CNC(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)cc1OC ZINC000095480400 568633012 /nfs/dbraw/zinc/63/30/12/568633012.db2.gz ZMKKWBQEFRNNDC-MRXNPFEDSA-N 0 0 415.881 2.834 50 0 HFAARN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000225446929 568638752 /nfs/dbraw/zinc/63/87/52/568638752.db2.gz XJGKFGBBUBQQJU-QMHWCDLVSA-N 0 0 402.510 2.664 50 0 HFAARN CN1CCN(C(=O)c2cccc(-n3c(=O)c4ccc(Cl)cc4[nH]c3=S)c2)CC1 ZINC000020645345 568638897 /nfs/dbraw/zinc/63/88/97/568638897.db2.gz NTFAEJHQVRBWJL-UHFFFAOYSA-N 0 0 414.918 2.715 50 0 HFAARN CCc1ccc(NC(=S)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1 ZINC000020730279 568640951 /nfs/dbraw/zinc/64/09/51/568640951.db2.gz WUUQNDVAFHOOJB-UHFFFAOYSA-N 0 0 418.607 2.591 50 0 HFAARN Cc1ccc(C)c(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c1 ZINC000020757300 568641737 /nfs/dbraw/zinc/64/17/37/568641737.db2.gz DFETYLIKBIBOAP-OAQYLSRUSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN O=C(C[C@H]1CSCCS1)N1CCC(O)(c2scnc2Br)CC1 ZINC000225489246 568642319 /nfs/dbraw/zinc/64/23/19/568642319.db2.gz KRLZPFBQWPFRCJ-JTQLQIEISA-N 0 0 423.423 2.954 50 0 HFAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)NCCc1ccccc1 ZINC000020807729 568643962 /nfs/dbraw/zinc/64/39/62/568643962.db2.gz MZGOTNZBCVMLRE-UHFFFAOYSA-N 0 0 408.527 2.917 50 0 HFAARN COC(=O)C1=C(CS(=O)(=O)c2cccc(Cl)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020857989 568645644 /nfs/dbraw/zinc/64/56/44/568645644.db2.gz YTRMKFLEOWEHML-QGZVFWFLSA-N 0 0 420.874 2.595 50 0 HFAARN COc1ccc(CN2CCN(S(=O)(=O)c3c(F)ccnc3Cl)CC2)cc1F ZINC000225549760 568650150 /nfs/dbraw/zinc/65/01/50/568650150.db2.gz RPVGUYDYESQAEH-UHFFFAOYSA-N 0 0 417.865 2.528 50 0 HFAARN Cc1cccc(N(C)C(=O)C[C@@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020930201 568651603 /nfs/dbraw/zinc/65/16/03/568651603.db2.gz OFCIAGFLLULGIJ-OAHLLOKOSA-N 0 0 416.499 2.850 50 0 HFAARN C[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000020935817 568652473 /nfs/dbraw/zinc/65/24/73/568652473.db2.gz IIVKJMPRRVGZNT-CYBMUJFWSA-N 0 0 417.462 2.580 50 0 HFAARN Cc1noc2ncnc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c12 ZINC000020945031 568653152 /nfs/dbraw/zinc/65/31/52/568653152.db2.gz PRYOUDRBBGUTPV-UHFFFAOYSA-N 0 0 424.480 2.631 50 0 HFAARN O=C(NCC[C@@H](O)C(F)(F)F)c1ncc(Br)cc1Br ZINC000225584685 568654532 /nfs/dbraw/zinc/65/45/32/568654532.db2.gz VHUZPCIVFOAKJR-SSDOTTSWSA-N 0 0 405.996 2.650 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4C)ncn3n2)cc1 ZINC000021024504 568658608 /nfs/dbraw/zinc/65/86/08/568658608.db2.gz BRXAMUYXEVTFML-UHFFFAOYSA-N 0 0 403.442 2.822 50 0 HFAARN Cc1nn(CCC(=O)NC2CCCCCCC2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028681 568658862 /nfs/dbraw/zinc/65/88/62/568658862.db2.gz WCSZGXOMHOHXEB-UHFFFAOYSA-N 0 0 410.584 2.904 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(c3ccccc3C)CC1)CC2 ZINC000095939071 568661316 /nfs/dbraw/zinc/66/13/16/568661316.db2.gz YMUXGGAYLPLXTB-UHFFFAOYSA-N 0 0 409.530 2.719 50 0 HFAARN C[C@@]1(c2cnccn2)NC(=O)N(Cc2ccc(Br)c3cccnc23)C1=O ZINC000225698255 568665548 /nfs/dbraw/zinc/66/55/48/568665548.db2.gz MFHZKIPWTHRALG-SFHVURJKSA-N 0 0 412.247 2.755 50 0 HFAARN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000095949142 568665559 /nfs/dbraw/zinc/66/55/59/568665559.db2.gz ZTAMYHXWOZOUKI-UHFFFAOYSA-N 0 0 410.522 2.735 50 0 HFAARN CCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccc(F)cc32)CC1 ZINC000095948805 568665601 /nfs/dbraw/zinc/66/56/01/568665601.db2.gz FSTIBJRQVOXXCK-UHFFFAOYSA-N 0 0 406.405 2.696 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1Br ZINC000095954205 568668503 /nfs/dbraw/zinc/66/85/03/568668503.db2.gz DDQLQTBOXNMGFX-LLVKDONJSA-N 0 0 400.298 2.749 50 0 HFAARN O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000021116766 568668986 /nfs/dbraw/zinc/66/89/86/568668986.db2.gz FRMFVWFLTTYZRP-UHFFFAOYSA-N 0 0 422.413 2.540 50 0 HFAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000021152016 568672452 /nfs/dbraw/zinc/67/24/52/568672452.db2.gz SDXAORLTIWHYHE-UHFFFAOYSA-N 0 0 424.526 2.510 50 0 HFAARN O=C(NCCc1cccs1)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324715 568676210 /nfs/dbraw/zinc/67/62/10/568676210.db2.gz OLTZWSSRPQIERK-UHFFFAOYSA-N 0 0 409.515 2.744 50 0 HFAARN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000095993457 568678122 /nfs/dbraw/zinc/67/81/22/568678122.db2.gz MLIWPMUNIZRRIG-ZDUSSCGKSA-N 0 0 414.289 2.908 50 0 HFAARN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cn(C)nc3C)c2C)c1 ZINC000095998517 568679563 /nfs/dbraw/zinc/67/95/63/568679563.db2.gz GWKYBVUNLSXCPQ-HXUWFJFHSA-N 0 0 409.490 2.753 50 0 HFAARN COc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(Cc3ccccc3)c2C)nn1 ZINC000095998463 568679572 /nfs/dbraw/zinc/67/95/72/568679572.db2.gz LTVMRYYWSDANRY-IBGZPJMESA-N 0 0 407.474 2.561 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ncnc3cc(F)c(F)cc32)C1 ZINC000095999580 568680453 /nfs/dbraw/zinc/68/04/53/568680453.db2.gz AZRHWUDIIYJHMH-LLVKDONJSA-N 0 0 402.405 2.600 50 0 HFAARN CCOc1ccccc1C(=O)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000021234918 568685763 /nfs/dbraw/zinc/68/57/63/568685763.db2.gz QMZXHMMPDGIWFP-QGZVFWFLSA-N 0 0 423.531 2.591 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@H]1c1ccccc1 ZINC000021350328 568687697 /nfs/dbraw/zinc/68/76/97/568687697.db2.gz DSFRPGDMGKDINV-FQEVSTJZSA-N 0 0 409.490 2.583 50 0 HFAARN CCOC(=O)C1=C(C)N(CC(=O)NC2CCCC2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350323 568687728 /nfs/dbraw/zinc/68/77/28/568687728.db2.gz DSFRPGDMGKDINV-HXUWFJFHSA-N 0 0 409.490 2.583 50 0 HFAARN O=C(N1CC(S(=O)(=O)c2ccc(F)cc2)C1)C1(c2ccccc2)CCOCC1 ZINC000096104264 568692179 /nfs/dbraw/zinc/69/21/79/568692179.db2.gz HFTYBNFPHQVPQT-UHFFFAOYSA-N 0 0 403.475 2.559 50 0 HFAARN CC(=O)Nc1ccc(CC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000096104431 568692340 /nfs/dbraw/zinc/69/23/40/568692340.db2.gz PHTRFURBTHETHQ-UHFFFAOYSA-N 0 0 406.891 2.526 50 0 HFAARN CC(C)Cc1nc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc2[nH]1 ZINC000096113829 568693332 /nfs/dbraw/zinc/69/33/32/568693332.db2.gz WJUKFFCYQVRBLI-GOSISDBHSA-N 0 0 405.458 2.841 50 0 biogenic HFAARN COc1cc2nc(C)n(CC(=O)Nc3cccc4c3ccn4C)c(=O)c2cc1OC ZINC000096114164 568693655 /nfs/dbraw/zinc/69/36/55/568693655.db2.gz RNTGRBBNVLSWQF-UHFFFAOYSA-N 0 0 406.442 2.853 50 0 biogenic HFAARN CSCC[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nnc2ccccn21 ZINC000096118041 568697604 /nfs/dbraw/zinc/69/76/04/568697604.db2.gz ZAKVNADGOAJBDN-INIZCTEOSA-N 0 0 407.499 2.805 50 0 HFAARN COC(=O)c1nc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)sc1C ZINC000096118750 568698488 /nfs/dbraw/zinc/69/84/88/568698488.db2.gz MTSIZUSFZKWXDQ-UHFFFAOYSA-N 0 0 414.487 2.785 50 0 HFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)NCc1ccc2c(c1)OCO2 ZINC000096118866 568698682 /nfs/dbraw/zinc/69/86/82/568698682.db2.gz ICDQPJVXJUZTKJ-UHFFFAOYSA-N 0 0 403.394 2.879 50 0 HFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N[C@H](CO)Cc1ccccc1 ZINC000096118876 568698696 /nfs/dbraw/zinc/69/86/96/568698696.db2.gz FVQAOOUYJDXXAN-KRWDZBQOSA-N 0 0 403.438 2.554 50 0 HFAARN O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cccnn2)CC1 ZINC000096119378 568698738 /nfs/dbraw/zinc/69/87/38/568698738.db2.gz OUHXNPWDTJKMBY-UHFFFAOYSA-N 0 0 404.311 2.533 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c(C)c1 ZINC000096121154 568699464 /nfs/dbraw/zinc/69/94/64/568699464.db2.gz QOEZJHCMJRCKAA-GDNBJRDFSA-N 0 0 413.543 2.860 50 0 HFAARN O=C(CSc1nc2ccccc2s1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122114 568700031 /nfs/dbraw/zinc/70/00/31/568700031.db2.gz XUUXGSJJXCKRLP-UHFFFAOYSA-N 0 0 408.526 2.807 50 0 HFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2O1 ZINC000096125629 568701356 /nfs/dbraw/zinc/70/13/56/568701356.db2.gz DQZZSBADVBDGNP-PEBXRYMYSA-N 0 0 403.475 2.668 50 0 biogenic HFAARN C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)NCCc1ccccc1 ZINC000096125585 568701384 /nfs/dbraw/zinc/70/13/84/568701384.db2.gz PKAWNLMQRQVJMB-KRWDZBQOSA-N 0 0 414.937 2.919 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1/N=C(c2ccc(C)cc2)OC1=O ZINC000096134145 568702037 /nfs/dbraw/zinc/70/20/37/568702037.db2.gz RUHSZSCKTHWKKO-BRYYZUPOSA-N 0 0 419.890 2.857 50 0 HFAARN CCCS(=O)(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(OC)cc2)CC1 ZINC000096203412 568704171 /nfs/dbraw/zinc/70/41/71/568704171.db2.gz JYXBQGVRUVCKMX-UHFFFAOYSA-N 0 0 418.563 2.555 50 0 HFAARN COc1ccccc1OCCN1C[C@H](C(=O)Nc2ccc3[nH]c(C)nc3c2)CC1=O ZINC000096223092 568706104 /nfs/dbraw/zinc/70/61/04/568706104.db2.gz RTKIYSZSRKYSGO-OAHLLOKOSA-N 0 0 408.458 2.746 50 0 HFAARN C[C@H](NC(=O)CCN1C(=O)C[C@@](C)(c2ccccc2)C1=O)c1nc2ccccc2n1C ZINC000096224301 568706535 /nfs/dbraw/zinc/70/65/35/568706535.db2.gz RMCSAUHZZJMGGX-FYSMJZIKSA-N 0 0 418.497 2.857 50 0 HFAARN CSCC[C@H](NC(=O)CCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000096230909 568706861 /nfs/dbraw/zinc/70/68/61/568706861.db2.gz AXBAAVITBTYLJJ-KRWDZBQOSA-N 0 0 423.498 2.555 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000096231918 568707562 /nfs/dbraw/zinc/70/75/62/568707562.db2.gz RUHWBXXALWFXHU-FPOVZHCZSA-N 0 0 402.458 2.946 50 0 HFAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1C ZINC000021532077 568711301 /nfs/dbraw/zinc/71/13/01/568711301.db2.gz ZTZRAZSYTRFAEV-UHFFFAOYSA-N 0 0 415.515 2.837 50 0 HFAARN Cc1ccc(Cn2c(SCC(=O)c3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000850092 568712067 /nfs/dbraw/zinc/71/20/67/568712067.db2.gz JXEFOPSDPGHKDP-UHFFFAOYSA-N 0 0 420.494 2.755 50 0 HFAARN O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cc(Cl)ccc1-n1cnnn1 ZINC000025007539 568712888 /nfs/dbraw/zinc/71/28/88/568712888.db2.gz 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568935417 /nfs/dbraw/zinc/93/54/17/568935417.db2.gz DLMYNVHBDWPLDP-HNNXBMFYSA-N 0 0 404.426 2.918 50 0 HFAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000005094573 568935462 /nfs/dbraw/zinc/93/54/62/568935462.db2.gz ULOWQOSFDPCDAM-VMPITWQZSA-N 0 0 411.277 2.757 50 0 HFAARN Cc1ccc(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000004061342 568937155 /nfs/dbraw/zinc/93/71/55/568937155.db2.gz WQXXPBFEHNSDSN-UHFFFAOYSA-N 0 0 405.483 2.835 50 0 HFAARN COC(=O)[C@H](Cc1ccccc1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004081991 568939125 /nfs/dbraw/zinc/93/91/25/568939125.db2.gz JUGNIVKPCKWALS-CYFREDJKSA-N 0 0 417.465 2.988 50 0 biogenic HFAARN CCOC(=O)CN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@]1(O)c1ccc(OC)cc1 ZINC000001428096 568939688 /nfs/dbraw/zinc/93/96/88/568939688.db2.gz KKWXNWDLKUVSQD-PZJWPPBQSA-N 0 0 401.415 2.606 50 0 HFAARN COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)CC1=O ZINC000012750699 568940279 /nfs/dbraw/zinc/94/02/79/568940279.db2.gz 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Cc1c(C)n2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)n1Cc1ccco1 ZINC000004250887 568955032 /nfs/dbraw/zinc/95/50/32/568955032.db2.gz OFMLEMXBTRJJIU-UHFFFAOYSA-N 0 0 417.469 2.764 50 0 HFAARN CC(C)c1nnc(NC(=O)CCC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)s1 ZINC000084685833 568955484 /nfs/dbraw/zinc/95/54/84/568955484.db2.gz BLEMOXYKISMDNU-HIFRSBDPSA-N 0 0 415.519 2.690 50 0 HFAARN C[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)Nc1cccc(F)c1 ZINC000012777344 568955687 /nfs/dbraw/zinc/95/56/87/568955687.db2.gz WQGZYCJENWYABX-LLVKDONJSA-N 0 0 403.439 2.672 50 0 HFAARN COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000084700225 568956179 /nfs/dbraw/zinc/95/61/79/568956179.db2.gz ZVUAVZUZZRJABB-UGSOOPFHSA-N 0 0 401.438 2.624 50 0 HFAARN C[C@H]1Cc2cc(S(=O)(=O)N(C)[C@H](C(N)=O)c3cccc(F)c3)cc(Cl)c2O1 ZINC000084718075 568957099 /nfs/dbraw/zinc/95/70/99/568957099.db2.gz KUIINJXCOMHQFY-QFYYESIMSA-N 0 0 412.870 2.650 50 0 HFAARN CCc1cc2c(COC(=O)c3ccccc3S(C)(=O)=O)cc(=O)oc2cc1O ZINC000012782061 568958293 /nfs/dbraw/zinc/95/82/93/568958293.db2.gz RPLCSVAMKDCXBS-UHFFFAOYSA-N 0 0 402.424 2.822 50 0 HFAARN CC1=C(C(N)=O)[C@H](c2ccc3c(c2)OCO3)N2N=C(c3cccc(Cl)c3)NC2=N1 ZINC000004279819 568958481 /nfs/dbraw/zinc/95/84/81/568958481.db2.gz YYGCYJXEOIFNTJ-KRWDZBQOSA-N 0 0 409.833 2.506 50 0 HFAARN COc1cc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1OC(F)F ZINC000012785156 568959477 /nfs/dbraw/zinc/95/94/77/568959477.db2.gz OESXEWTYCRFKCI-UHFFFAOYSA-N 0 0 415.414 2.936 50 0 HFAARN C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N(C)c1ccccc1 ZINC000012784879 568959493 /nfs/dbraw/zinc/95/94/93/568959493.db2.gz VXMUWHPYWJHEHW-QGZVFWFLSA-N 0 0 407.470 2.998 50 0 HFAARN CCOC(=O)[C@H](C)N(C)c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000084791174 568959510 /nfs/dbraw/zinc/95/95/10/568959510.db2.gz HDNXFEBZNXPSKZ-AWEZNQCLSA-N 0 0 418.563 2.790 50 0 HFAARN O=S(=O)(c1cccs1)N1CN(C[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000004301956 568960095 /nfs/dbraw/zinc/96/00/95/568960095.db2.gz UTPHZKUKMSLFFH-ZDUSSCGKSA-N 0 0 402.501 2.843 50 0 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O=C(COc1ccc(NC(=O)C2CC2)cn1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065245709 569205324 /nfs/dbraw/zinc/20/53/24/569205324.db2.gz WBSJBWFVKKZSBR-UHFFFAOYSA-N 0 0 414.893 2.811 50 0 HFAARN CC[C@H](CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)n1cc(Cl)cn1 ZINC000036614565 569206724 /nfs/dbraw/zinc/20/67/24/569206724.db2.gz HAQLGRKKGQLKMV-OAHLLOKOSA-N 0 0 410.927 2.983 50 0 HFAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCn1nc(C(F)F)cc1C(F)F ZINC000036614954 569206808 /nfs/dbraw/zinc/20/68/08/569206808.db2.gz XVMGJXXJMPFCFB-UHFFFAOYSA-N 0 0 419.351 2.945 50 0 HFAARN CCCn1ncc2c1nc(C)cc2C(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000036615930 569207169 /nfs/dbraw/zinc/20/71/69/569207169.db2.gz NSZVWOIXPKSWDN-UHFFFAOYSA-N 0 0 409.465 2.887 50 0 HFAARN COc1ccc(-c2cn(CC(=O)N3CCN(c4ccc(C)cc4)CC3)c(=O)o2)cc1 ZINC000065255695 569207906 /nfs/dbraw/zinc/20/79/06/569207906.db2.gz SCPWCJUYQHVSIT-UHFFFAOYSA-N 0 0 407.470 2.774 50 0 HFAARN COC(=O)c1sccc1NC=C1C(=O)N(Cc2ccco2)C(=O)N(C(C)C)C1=O ZINC000007037130 569209080 /nfs/dbraw/zinc/20/90/80/569209080.db2.gz WXLKPADVTUBFEQ-LCYFTJDESA-N 0 0 417.443 2.823 50 0 HFAARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000007042330 569210003 /nfs/dbraw/zinc/21/00/03/569210003.db2.gz FZDATWXUDXOUHA-QGZVFWFLSA-N 0 0 417.531 2.763 50 0 HFAARN COC(=O)[C@H](NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c21)c1ccccc1 ZINC000036619270 569210627 /nfs/dbraw/zinc/21/06/27/569210627.db2.gz MLTNGUWWHZHDNX-GOSISDBHSA-N 0 0 405.414 2.576 50 0 HFAARN COc1cc([C@@H]2C3=CNNC3=Nc3c4ccccc4oc(=O)c32)cc2c1OCCO2 ZINC000524730115 569211839 /nfs/dbraw/zinc/21/18/39/569211839.db2.gz WJACXZHTCRYYMK-QGZVFWFLSA-N 0 0 403.394 2.740 50 0 biogenic HFAARN COc1cc2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)n(C)c2cc1OC ZINC000524731815 569212495 /nfs/dbraw/zinc/21/24/95/569212495.db2.gz LSFBPKIDWHKRMQ-HYVNUMGLSA-N 0 0 411.502 2.669 50 0 biogenic HFAARN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(Cl)c1 ZINC000036622717 569212520 /nfs/dbraw/zinc/21/25/20/569212520.db2.gz 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O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3ccccn3)CC1)C2)N1CCCC1 ZINC000065272861 569215999 /nfs/dbraw/zinc/21/59/99/569215999.db2.gz RTHWGMGNODAPOX-KRWDZBQOSA-N 0 0 424.570 2.833 50 0 HFAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2ccccc2)CC3)CC1 ZINC000065273478 569216155 /nfs/dbraw/zinc/21/61/55/569216155.db2.gz OBFGSDPPCWJYRF-QGZVFWFLSA-N 0 0 412.559 2.623 50 0 HFAARN CCOC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000036657851 569216840 /nfs/dbraw/zinc/21/68/40/569216840.db2.gz OKBAOIBYMZERLM-QFBILLFUSA-N 0 0 401.532 2.679 50 0 HFAARN CCN(CC)c1ncnc2c1cnn2CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000065296002 569218859 /nfs/dbraw/zinc/21/88/59/569218859.db2.gz LIAZLDBPBGSGFI-UHFFFAOYSA-N 0 0 422.411 2.888 50 0 HFAARN CC[C@H](C(=O)NCc1ccccn1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000065304933 569220379 /nfs/dbraw/zinc/22/03/79/569220379.db2.gz VAVCZEULDJPEOQ-LJQANCHMSA-N 0 0 416.485 2.862 50 0 HFAARN CCCc1cc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)nc2nnc(CC)n21 ZINC000065312002 569221098 /nfs/dbraw/zinc/22/10/98/569221098.db2.gz WFRKEXHPJRAHCM-UHFFFAOYSA-N 0 0 421.549 2.668 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(-c2noc(C(=O)NCCC3=CCCCC3)n2)cc1 ZINC000065319257 569222076 /nfs/dbraw/zinc/22/20/76/569222076.db2.gz UXHSWFCJEKCCPG-UHFFFAOYSA-N 0 0 404.492 2.607 50 0 HFAARN O=C(NCc1ccccn1)[C@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312983 569222321 /nfs/dbraw/zinc/22/23/21/569222321.db2.gz WTIISGYAUATMLZ-ZDUSSCGKSA-N 0 0 404.396 2.676 50 0 HFAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nnc3ccc(Cl)cn32)C1 ZINC000065312943 569222327 /nfs/dbraw/zinc/22/23/27/569222327.db2.gz AKZNZPKEZYTVRT-AWEZNQCLSA-N 0 0 413.865 2.644 50 0 HFAARN O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(c2nnc3ccccn32)CC1 ZINC000065313031 569222336 /nfs/dbraw/zinc/22/23/36/569222336.db2.gz JNOJQLMJRVTMAN-UHFFFAOYSA-N 0 0 405.380 2.519 50 0 HFAARN COc1ccc(C)cc1S(=O)(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000036700272 569222641 /nfs/dbraw/zinc/22/26/41/569222641.db2.gz NKISUWKTXGYNET-HXUWFJFHSA-N 0 0 404.532 2.746 50 0 HFAARN O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cccc(-n2cccn2)c1 ZINC000238817906 569224200 /nfs/dbraw/zinc/22/42/00/569224200.db2.gz BXNYRAKIEQQXEJ-UHFFFAOYSA-N 0 0 402.502 2.940 50 0 HFAARN CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(C)=O)ccc21 ZINC000065322160 569224458 /nfs/dbraw/zinc/22/44/58/569224458.db2.gz GUVLSCNGYRTLEA-UHFFFAOYSA-N 0 0 405.502 2.973 50 0 HFAARN CCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2CC ZINC000065322184 569224496 /nfs/dbraw/zinc/22/44/96/569224496.db2.gz NONPWGHSOXEEKL-UHFFFAOYSA-N 0 0 409.490 2.956 50 0 HFAARN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1 ZINC000007136411 569225634 /nfs/dbraw/zinc/22/56/34/569225634.db2.gz XFXFOZNZNDKGQS-GOSISDBHSA-N 0 0 400.500 2.943 50 0 HFAARN CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000007141257 569225670 /nfs/dbraw/zinc/22/56/70/569225670.db2.gz JSDYLPYULIFWFE-INIZCTEOSA-N 0 0 418.471 2.516 50 0 HFAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)O[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000007181941 569227769 /nfs/dbraw/zinc/22/77/69/569227769.db2.gz SYOJZDPRWYGBQS-HXUWFJFHSA-N 0 0 419.474 2.896 50 0 HFAARN Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(S(N)(=O)=O)ccc3C)o2)cc1 ZINC000036784138 569228179 /nfs/dbraw/zinc/22/81/79/569228179.db2.gz HBJCMTWGWSSASA-CYBMUJFWSA-N 0 0 401.444 2.919 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3c(F)cccc3Cl)c2c1 ZINC000036795893 569228433 /nfs/dbraw/zinc/22/84/33/569228433.db2.gz LVKROBQIPVQSCH-UHFFFAOYSA-N 0 0 412.874 2.883 50 0 HFAARN O=C(N[C@@H]1CCOc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000007215487 569228999 /nfs/dbraw/zinc/22/89/99/569228999.db2.gz IAQAIIOJQRUTJO-MRXNPFEDSA-N 0 0 406.529 2.789 50 0 HFAARN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(C4CC4)n3C)c2C(N)=O)C1 ZINC000007235296 569229973 /nfs/dbraw/zinc/22/99/73/569229973.db2.gz QAWFTGBDNYQFHH-VIFPVBQESA-N 0 0 405.549 2.709 50 0 HFAARN C[C@H](NC(=O)CN1c2ccccc2[C@H](C(N)=O)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000065491768 569232297 /nfs/dbraw/zinc/23/22/97/569232297.db2.gz APOSIVRDBDRYMF-RVKKMQEKSA-N 0 0 409.486 2.503 50 0 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ZINC000037176678 569239556 /nfs/dbraw/zinc/23/95/56/569239556.db2.gz NFVQLIFUUMFCER-MRXNPFEDSA-N 0 0 411.502 2.734 50 0 HFAARN O=C(CCCOc1cccc2ccccc21)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000170591860 569240710 /nfs/dbraw/zinc/24/07/10/569240710.db2.gz FRXXYFMJJDTDCA-PGRDOPGGSA-N 0 0 417.527 2.851 50 0 HFAARN Cc1ccccc1[C@@H](C)CC(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000170593259 569241220 /nfs/dbraw/zinc/24/12/20/569241220.db2.gz QYVZNUQEOWGAQH-SIKLNZKXSA-N 0 0 423.561 2.562 50 0 HFAARN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000170594032 569241365 /nfs/dbraw/zinc/24/13/65/569241365.db2.gz CEHZRJBIQMUQIY-LLVKDONJSA-N 0 0 411.789 2.812 50 0 HFAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000037237602 569241380 /nfs/dbraw/zinc/24/13/80/569241380.db2.gz TYYBNAHWBODADQ-IVAOSVALSA-N 0 0 416.433 2.578 50 0 biogenic HFAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000007491904 569241746 /nfs/dbraw/zinc/24/17/46/569241746.db2.gz YFEUKTDDGIBGEA-MRXNPFEDSA-N 0 0 413.474 2.729 50 0 HFAARN CCc1cccc(CC)c1NC(=O)CN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=O ZINC000007498150 569242692 /nfs/dbraw/zinc/24/26/92/569242692.db2.gz GKPNPTSGHNQLLC-UHFFFAOYSA-N 0 0 409.442 2.754 50 0 HFAARN CC(C)(O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000170599428 569242741 /nfs/dbraw/zinc/24/27/41/569242741.db2.gz KFIGPQWHGROWOT-UHFFFAOYSA-N 0 0 410.923 2.709 50 0 HFAARN CC(=O)N1CCN(Cc2ccccc2NC(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000170602423 569243734 /nfs/dbraw/zinc/24/37/34/569243734.db2.gz BDNHVUFNDAOHIK-UHFFFAOYSA-N 0 0 421.476 2.928 50 0 HFAARN CCN(CCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)CC(F)(F)F ZINC000170605848 569244282 /nfs/dbraw/zinc/24/42/82/569244282.db2.gz WDPFAIKJPKRKQD-UHFFFAOYSA-N 0 0 400.401 2.678 50 0 HFAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(C(F)(F)F)n1 ZINC000170607609 569244627 /nfs/dbraw/zinc/24/46/27/569244627.db2.gz ZKWYLJIXULQRGA-UHFFFAOYSA-N 0 0 422.454 2.731 50 0 HFAARN COc1ccc(OC)c2c1CN(C(=O)Nc1ccc3nnc(C(C)C)n3c1)C[C@H]2O ZINC000170609608 569245054 /nfs/dbraw/zinc/24/50/54/569245054.db2.gz WBZNFEQSUMDQOK-OAHLLOKOSA-N 0 0 411.462 2.951 50 0 HFAARN CN(CC(=O)N[C@H]1CCCc2c(O)cccc21)S(=O)(=O)c1ccc(Cl)s1 ZINC000170611454 569245679 /nfs/dbraw/zinc/24/56/79/569245679.db2.gz YRTHBXLICXIHNZ-ZDUSSCGKSA-N 0 0 414.936 2.921 50 0 HFAARN Cc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000007525721 569245896 /nfs/dbraw/zinc/24/58/96/569245896.db2.gz GXGINRSKJCMGQM-UHFFFAOYSA-N 0 0 414.527 2.686 50 0 HFAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007530537 569246076 /nfs/dbraw/zinc/24/60/76/569246076.db2.gz BBPXXWHCFKAQRT-UHFFFAOYSA-N 0 0 411.487 2.965 50 0 HFAARN COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3cnc(C)cn3)n2)c1 ZINC000007536823 569247213 /nfs/dbraw/zinc/24/72/13/569247213.db2.gz BKYWIFMUQWXNQP-UHFFFAOYSA-N 0 0 414.443 2.721 50 0 HFAARN Cc1cc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c(C)n1Cc1ccco1 ZINC000007550252 569248938 /nfs/dbraw/zinc/24/89/38/569248938.db2.gz ABLWPSPGRIXIFU-UHFFFAOYSA-N 0 0 418.471 2.629 50 0 HFAARN COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000170624943 569249602 /nfs/dbraw/zinc/24/96/02/569249602.db2.gz VZEXZFSAPNMLHL-NSHDSACASA-N 0 0 420.263 2.864 50 0 HFAARN Cc1ccc(N2CCCN(C(=O)CNC(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000170625149 569249978 /nfs/dbraw/zinc/24/99/78/569249978.db2.gz SYHOCQPZZGKNIG-UHFFFAOYSA-N 0 0 406.530 2.802 50 0 HFAARN COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000007560850 569250302 /nfs/dbraw/zinc/25/03/02/569250302.db2.gz ASSBOXTXDUWGHK-UHFFFAOYSA-N 0 0 405.545 2.707 50 0 HFAARN Cn1nc2c(c1NC(=O)Cn1nc(-c3ccccc3Cl)ccc1=O)CSC2 ZINC000071284039 569251999 /nfs/dbraw/zinc/25/19/99/569251999.db2.gz KYSVERAZVRNHDR-UHFFFAOYSA-N 0 0 401.879 2.683 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccc(F)cc1 ZINC000071285747 569252163 /nfs/dbraw/zinc/25/21/63/569252163.db2.gz MQTGFXNGSDJECA-UHFFFAOYSA-N 0 0 404.873 2.627 50 0 HFAARN COCCNC(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000071288808 569252520 /nfs/dbraw/zinc/25/25/20/569252520.db2.gz JUUPRWKURCPNEH-UHFFFAOYSA-N 0 0 400.454 2.556 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 ZINC000010119296 569253201 /nfs/dbraw/zinc/25/32/01/569253201.db2.gz JKOAPEHHZWLPMC-UHFFFAOYSA-N 0 0 420.556 2.921 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(F)ccc1F)C(=O)OC ZINC000042751523 569254318 /nfs/dbraw/zinc/25/43/18/569254318.db2.gz UBWJAGVBILKOBT-SDDDUWNISA-N 0 0 406.433 2.933 50 0 HFAARN O=C(Cc1ccccc1F)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000013706015 569257402 /nfs/dbraw/zinc/25/74/02/569257402.db2.gz XQCFHGMAANRNPP-UHFFFAOYSA-N 0 0 409.396 2.807 50 0 HFAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013736954 569257466 /nfs/dbraw/zinc/25/74/66/569257466.db2.gz QIHNMORTFKEOBW-UHFFFAOYSA-N 0 0 403.460 2.613 50 0 HFAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3cccnc3)CC2)cc1 ZINC000013735714 569257558 /nfs/dbraw/zinc/25/75/58/569257558.db2.gz MGXKRWJIDXNEGR-UHFFFAOYSA-N 0 0 403.504 2.814 50 0 HFAARN CC(=O)c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000013784471 569257642 /nfs/dbraw/zinc/25/76/42/569257642.db2.gz QMSACTASNWSTFS-UHFFFAOYSA-N 0 0 403.529 2.593 50 0 HFAARN CCS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCCO2 ZINC000014398385 569259833 /nfs/dbraw/zinc/25/98/33/569259833.db2.gz OHCXQUBGMBGSJZ-UHFFFAOYSA-N 0 0 408.520 2.621 50 0 HFAARN COC(=O)c1c2c(nc3c1c(-c1cccs1)nn3[C@H]1CCS(=O)(=O)C1)CCC2 ZINC000016850667 569265925 /nfs/dbraw/zinc/26/59/25/569265925.db2.gz JBLOQWXCESPTCP-NSHDSACASA-N 0 0 417.512 2.795 50 0 HFAARN CSc1nc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c2ccccn21 ZINC000089821062 569266587 /nfs/dbraw/zinc/26/65/87/569266587.db2.gz DBXRRCMXMCGRSR-NSHDSACASA-N 0 0 412.479 2.742 50 0 HFAARN O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000089826139 569266601 /nfs/dbraw/zinc/26/66/01/569266601.db2.gz SURPKYNSEXSISY-CABCVRRESA-N 0 0 400.422 2.793 50 0 HFAARN O=C(Cc1csc(N2CCCNC2=O)n1)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000089836643 569266748 /nfs/dbraw/zinc/26/67/48/569266748.db2.gz TXYRXUJIVLQIOX-ROUUACIJSA-N 0 0 414.531 2.859 50 0 HFAARN C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000089894796 569267836 /nfs/dbraw/zinc/26/78/36/569267836.db2.gz FKCNPYGILXNJTE-CTNGQTDRSA-N 0 0 415.578 2.572 50 0 HFAARN C[C@H](NC(=O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000089905529 569268308 /nfs/dbraw/zinc/26/83/08/569268308.db2.gz NHINJRVHATVUQQ-SFHVURJKSA-N 0 0 423.513 2.717 50 0 HFAARN COC(=O)c1ccc(N2CCN(C(=O)CSCc3cscn3)[C@@H](C)C2)cc1 ZINC000089938051 569269160 /nfs/dbraw/zinc/26/91/60/569269160.db2.gz RBOJALYIIPEUEI-AWEZNQCLSA-N 0 0 405.545 2.900 50 0 HFAARN COc1ccc(S(=O)(=O)NCC2(c3ccccc3OC)CCOCC2)cc1OC ZINC000016972952 569269689 /nfs/dbraw/zinc/26/96/89/569269689.db2.gz VKAZUEVCUBIIST-UHFFFAOYSA-N 0 0 421.515 2.739 50 0 HFAARN CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)CCS(C)(=O)=O ZINC000089960801 569270110 /nfs/dbraw/zinc/27/01/10/569270110.db2.gz WSMKYWRMRUPTRO-HNNXBMFYSA-N 0 0 410.319 2.881 50 0 HFAARN COC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)cc1 ZINC000016980821 569270287 /nfs/dbraw/zinc/27/02/87/569270287.db2.gz NTEOIWKRAOLMRF-UHFFFAOYSA-N 0 0 423.473 2.547 50 0 HFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCCC3)c12 ZINC000016992981 569270716 /nfs/dbraw/zinc/27/07/16/569270716.db2.gz XFMMGMUQCIBPKA-AWEZNQCLSA-N 0 0 414.487 2.595 50 0 HFAARN COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000017010712 569271222 /nfs/dbraw/zinc/27/12/22/569271222.db2.gz VEDMYCPUTZZLDA-UHFFFAOYSA-N 0 0 406.442 2.760 50 0 HFAARN O=C(COc1ccc(-c2ccc(Br)cc2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000014735926 569271614 /nfs/dbraw/zinc/27/16/14/569271614.db2.gz JDUFRBKWKPOFQB-MRXNPFEDSA-N 0 0 424.316 2.798 50 0 HFAARN C[C@@H](c1ccccc1)n1c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000017029290 569272067 /nfs/dbraw/zinc/27/20/67/569272067.db2.gz NUSXXRAVVHGQJG-RBZFPXEDSA-N 0 0 402.454 2.568 50 0 biogenic HFAARN Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NCCC4=CCCCC4)cn(C)c3c2=O)cc1 ZINC000017052036 569272659 /nfs/dbraw/zinc/27/26/59/569272659.db2.gz AHQSKWDGFPOYKW-UHFFFAOYSA-N 0 0 406.486 2.946 50 0 HFAARN O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)NCc1ccc2c(c1)OCO2 ZINC000017149812 569275694 /nfs/dbraw/zinc/27/56/94/569275694.db2.gz KUNRLMFLBSMUPO-UHFFFAOYSA-N 0 0 411.414 2.795 50 0 HFAARN Cn1cc(C(=O)NCc2ccccc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149029 569275707 /nfs/dbraw/zinc/27/57/07/569275707.db2.gz ZTSFMJVFZDRHLW-UHFFFAOYSA-N 0 0 408.845 2.601 50 0 HFAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)NC[C@H]1CCCO1 ZINC000017169471 569276069 /nfs/dbraw/zinc/27/60/69/569276069.db2.gz ZZXURZAXBVKIGX-CYBMUJFWSA-N 0 0 419.894 2.562 50 0 HFAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)NC[C@@H]1CCCO1 ZINC000017169468 569276107 /nfs/dbraw/zinc/27/61/07/569276107.db2.gz ZZXURZAXBVKIGX-ZDUSSCGKSA-N 0 0 419.894 2.562 50 0 HFAARN O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccc(F)cc1 ZINC000017170292 569276249 /nfs/dbraw/zinc/27/62/49/569276249.db2.gz NGLBTZCPEFEXKF-UHFFFAOYSA-N 0 0 422.391 2.523 50 0 HFAARN Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)c12 ZINC000000936983 569276846 /nfs/dbraw/zinc/27/68/46/569276846.db2.gz MBUWRFFZKNAQER-UHFFFAOYSA-N 0 0 411.270 2.811 50 0 HFAARN Cc1cc2c(nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccco3)c2=O)s1 ZINC000001060505 569277128 /nfs/dbraw/zinc/27/71/28/569277128.db2.gz IFEAXNMIQPVZPQ-CYBMUJFWSA-N 0 0 419.528 2.795 50 0 HFAARN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCCCC1 ZINC000006703567 569280050 /nfs/dbraw/zinc/28/00/50/569280050.db2.gz VFMDKUBZERQORW-UHFFFAOYSA-N 0 0 400.500 2.829 50 0 HFAARN Cc1ccc(C)c(NC(=O)CCNC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000002093643 569280679 /nfs/dbraw/zinc/28/06/79/569280679.db2.gz FHFGOYBCCNYCBA-MSOLQXFVSA-N 0 0 408.502 2.623 50 0 biogenic HFAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cnccn1 ZINC000002392272 569282740 /nfs/dbraw/zinc/28/27/40/569282740.db2.gz MOVDBYPXVMUQDS-UHFFFAOYSA-N 0 0 400.464 2.503 50 0 HFAARN COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000014858039 569285083 /nfs/dbraw/zinc/28/50/83/569285083.db2.gz WLRNKANCKYSJPZ-PKNBQFBNSA-N 0 0 424.497 2.605 50 0 HFAARN CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O ZINC000252428038 569285254 /nfs/dbraw/zinc/28/52/54/569285254.db2.gz OOXIMMFKYHJNKC-LMMKCTJWSA-N 0 0 410.813 2.923 50 0 HFAARN CCN1C[C@H](CN(C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)Oc2ccccc21 ZINC000252444137 569285905 /nfs/dbraw/zinc/28/59/05/569285905.db2.gz AYHQAPLXCHAOCK-HYFFOGBASA-N 0 0 400.523 2.664 50 0 HFAARN C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@H](C(=O)Nc4ccccc4)[C@H]4C=C[C@@]3(O4)[C@H]12 ZINC000252470058 569287101 /nfs/dbraw/zinc/28/71/01/569287101.db2.gz WPBZOXULLMVBCB-OIQZTIIGSA-N 0 0 418.449 2.719 50 0 biogenic HFAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000007595142 569287352 /nfs/dbraw/zinc/28/73/52/569287352.db2.gz LFBKWNHSZWREOW-UHFFFAOYSA-N 0 0 414.527 2.721 50 0 HFAARN O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000007595134 569287356 /nfs/dbraw/zinc/28/73/56/569287356.db2.gz BJOGCJZQRRSXCL-UHFFFAOYSA-N 0 0 402.491 2.851 50 0 HFAARN COC(=O)c1nn(-c2ccc(C)cc2C)c(I)c1C(=O)OC ZINC000001100674 569287746 /nfs/dbraw/zinc/28/77/46/569287746.db2.gz IHBKDTUACUIKNL-UHFFFAOYSA-N 0 0 414.199 2.667 50 0 HFAARN CN(C)CCN(C(=O)c1cccs1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000007599611 569288262 /nfs/dbraw/zinc/28/82/62/569288262.db2.gz FWNFSARHCJSPBO-UHFFFAOYSA-N 0 0 409.558 2.970 50 0 HFAARN O=C(CCNC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)c1 ZINC000002150584 569290023 /nfs/dbraw/zinc/29/00/23/569290023.db2.gz CVJDJVCOTWRRGG-CABCVRRESA-N 0 0 414.893 2.659 50 0 biogenic HFAARN CN(C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252515138 569292127 /nfs/dbraw/zinc/29/21/27/569292127.db2.gz HNXMRFFSBDYNOJ-REXBTKMOSA-N 0 0 419.566 2.785 50 0 HFAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252538004 569293244 /nfs/dbraw/zinc/29/32/44/569293244.db2.gz MNOXXCPQFCJTOM-UHFFFAOYSA-N 0 0 419.441 2.743 50 0 HFAARN Cc1cc(NC(=O)CSCC(=O)NC[C@H](c2ccccc2Cl)N(C)C)no1 ZINC000027346323 569294020 /nfs/dbraw/zinc/29/40/20/569294020.db2.gz FTEJVZWQDDODEO-OAHLLOKOSA-N 0 0 410.927 2.727 50 0 HFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000252549963 569294168 /nfs/dbraw/zinc/29/41/68/569294168.db2.gz RYAGRORJRNCXMB-GRDNDAEWSA-N 0 0 406.556 2.592 50 0 HFAARN CCOc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000002209031 569297127 /nfs/dbraw/zinc/29/71/27/569297127.db2.gz TWCLGWAAZOLJGC-UHFFFAOYSA-N 0 0 414.487 2.742 50 0 HFAARN CC(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000007626938 569297617 /nfs/dbraw/zinc/29/76/17/569297617.db2.gz AUXVXUUBEXHDQY-UHFFFAOYSA-N 0 0 416.543 2.863 50 0 HFAARN Cc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O ZINC000007641143 569298289 /nfs/dbraw/zinc/29/82/89/569298289.db2.gz WTJRZEATYYLWDF-UHFFFAOYSA-N 0 0 401.488 2.527 50 0 HFAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000037427249 569298670 /nfs/dbraw/zinc/29/86/70/569298670.db2.gz OYFGMGMDQXGBJK-MRXNPFEDSA-N 0 0 408.506 2.562 50 0 HFAARN COCCNC(=O)[C@H]1CCCCN1C(=O)c1csc(Nc2cccc(OC)c2)n1 ZINC000037426851 569298698 /nfs/dbraw/zinc/29/86/98/569298698.db2.gz SACXMIXRKXNBIW-QGZVFWFLSA-N 0 0 418.519 2.653 50 0 HFAARN COCCNC(=O)c1ccc(Cn2cc(C)s/c2=N\C(=O)c2cccc(C)c2)o1 ZINC000037437987 569299457 /nfs/dbraw/zinc/29/94/57/569299457.db2.gz ZBGCDCHUVRUKIF-LNVKXUELSA-N 0 0 413.499 2.925 50 0 HFAARN CNS(=O)(=O)c1cc(-c2cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)[nH]n2)ccc1OC ZINC000037442782 569299772 /nfs/dbraw/zinc/29/97/72/569299772.db2.gz WQNQWXKHBIZXAF-UMVBOHGHSA-N 0 0 420.535 2.548 50 0 HFAARN COc1ccc(S(=O)(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1NC(C)=O ZINC000007668131 569299846 /nfs/dbraw/zinc/29/98/46/569299846.db2.gz KZCPNGVZUNYJBE-UHFFFAOYSA-N 0 0 422.503 2.534 50 0 HFAARN COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000007687682 569300776 /nfs/dbraw/zinc/30/07/76/569300776.db2.gz CPVDGNCJPCNWSW-UHFFFAOYSA-N 0 0 418.515 2.632 50 0 HFAARN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CCCC2)C(=O)CO3)c1 ZINC000037512604 569302519 /nfs/dbraw/zinc/30/25/19/569302519.db2.gz KGAKPLNNQBLZJU-UHFFFAOYSA-N 0 0 422.481 2.913 50 0 HFAARN CCNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1OC ZINC000037523653 569303625 /nfs/dbraw/zinc/30/36/25/569303625.db2.gz XCYXLOMSCUOXFZ-UHFFFAOYSA-N 0 0 409.412 2.580 50 0 HFAARN O=C(COC(=O)c1n[nH]c(=O)c2ccccc21)Nc1nc(-c2ccccc2)cs1 ZINC000007738145 569305014 /nfs/dbraw/zinc/30/50/14/569305014.db2.gz GTEPWWUTARCPEZ-UHFFFAOYSA-N 0 0 406.423 2.842 50 0 HFAARN CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)OC)cc2)n(-c2cccc(C)c2)c1=O ZINC000037559714 569306789 /nfs/dbraw/zinc/30/67/89/569306789.db2.gz RKPSKXBDCKPSBH-UHFFFAOYSA-N 0 0 418.453 2.512 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3-n3cccc3)C2=O)C1 ZINC000037572663 569307402 /nfs/dbraw/zinc/30/74/02/569307402.db2.gz CAWYTPNTUBWNKX-MSOLQXFVSA-N 0 0 409.486 2.632 50 0 HFAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(Cc1cccc(S(=O)(=O)N(C)C)c1)C2=O ZINC000007779303 569309284 /nfs/dbraw/zinc/30/92/84/569309284.db2.gz DYBWCMNCOCLOCX-VBKZILBWSA-N 0 0 407.536 2.574 50 0 HFAARN CCOC(=O)CN(C(=O)CSc1nnc2nc(C)cc(C)n21)c1ccc(F)cc1 ZINC000007779616 569309292 /nfs/dbraw/zinc/30/92/92/569309292.db2.gz YSACMCSADIHLBL-UHFFFAOYSA-N 0 0 417.466 2.569 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000007825022 569313137 /nfs/dbraw/zinc/31/31/37/569313137.db2.gz VWRACXLNFRHKGI-UHFFFAOYSA-N 0 0 423.542 2.990 50 0 HFAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)s1)C1CC1 ZINC000007853288 569314577 /nfs/dbraw/zinc/31/45/77/569314577.db2.gz IFQPZFKIADPYJO-NSHDSACASA-N 0 0 408.553 2.913 50 0 HFAARN C[C@]12CC(=O)[C@@H]3[C@H](CC=C4OC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000252693624 569320159 /nfs/dbraw/zinc/32/01/59/569320159.db2.gz FHTMINSWFXHFIA-DKFMLRBVSA-N 0 0 404.459 2.683 50 0 biogenic HFAARN CCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 ZINC000002261300 569325312 /nfs/dbraw/zinc/32/53/12/569325312.db2.gz HMWSCKJHNVIMJT-AQTBWJFISA-N 0 0 421.478 2.941 50 0 HFAARN CN(C)c1nc(OCCOC(=O)Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1 ZINC000002267628 569325871 /nfs/dbraw/zinc/32/58/71/569325871.db2.gz ZTHKZWQWIXONHG-UHFFFAOYSA-N 0 0 415.281 2.938 50 0 HFAARN COC(=O)[C@]12CC[C@H](O)C[C@]1(O)CC[C@@H]1C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)CC[C@H]12 ZINC000036372274 569358126 /nfs/dbraw/zinc/35/81/26/569358126.db2.gz TVYBDQDXSLBDGV-LJQRRIJCSA-N 0 0 416.514 2.678 50 0 HFAARN CNc1nccc(N2CCC(CC(=O)N3CCN(c4ccccc4C)CC3)CC2)n1 ZINC000065282060 569364127 /nfs/dbraw/zinc/36/41/27/569364127.db2.gz SISMYCMPCGYKIG-UHFFFAOYSA-N 0 0 408.550 2.782 50 0 HFAARN CO[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC[C@H]1C ZINC000253369658 569364723 /nfs/dbraw/zinc/36/47/23/569364723.db2.gz GKJGQSJURVZRSB-KBRIMQKVSA-N 0 0 409.324 2.937 50 0 HFAARN Cc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000253387497 569364870 /nfs/dbraw/zinc/36/48/70/569364870.db2.gz ZHUIUFXUGYVAPI-OSTWSGHESA-N 0 0 422.525 2.974 50 0 HFAARN COc1ccc(CCC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc1Br ZINC000253396948 569365322 /nfs/dbraw/zinc/36/53/22/569365322.db2.gz BDTXNDLAUIZKTO-CQSZACIVSA-N 0 0 418.353 2.816 50 0 HFAARN COc1cc(CNC(=O)c2ccc(OCC3CCOCC3)nc2)cc(OC)c1OC ZINC000253403592 569365793 /nfs/dbraw/zinc/36/57/93/569365793.db2.gz QENSSSIRYGEQCX-UHFFFAOYSA-N 0 0 416.474 2.843 50 0 HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000253413571 569366901 /nfs/dbraw/zinc/36/69/01/569366901.db2.gz VDMQJUIFJDMFTL-IBGZPJMESA-N 0 0 422.872 2.847 50 0 biogenic HFAARN CN([C@@]1(c2ccccc2)CCCCC1=O)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000253415566 569367146 /nfs/dbraw/zinc/36/71/46/569367146.db2.gz ILWVQYQKOJFUDW-OAQYLSRUSA-N 0 0 414.483 2.677 50 0 HFAARN O=C(NCc1ccccc1Cn1cccn1)c1nc2ccc(Br)cn2n1 ZINC000253429935 569368642 /nfs/dbraw/zinc/36/86/42/569368642.db2.gz PEHNMDQZQHLXAJ-UHFFFAOYSA-N 0 0 411.263 2.667 50 0 HFAARN Cc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl ZINC000055053691 569380823 /nfs/dbraw/zinc/38/08/23/569380823.db2.gz AAOOZQHWNVQFDP-IBGZPJMESA-N 0 0 403.885 2.794 50 0 HFAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CN3CCCCC3)C2=O)cc1OC ZINC000002350448 569381279 /nfs/dbraw/zinc/38/12/79/569381279.db2.gz NDSDHCPCUMTHEO-DEOSSOPVSA-N 0 0 424.497 2.954 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)cc1OC ZINC000002352057 569381474 /nfs/dbraw/zinc/38/14/74/569381474.db2.gz ZZADEKMMLSOESU-UHFFFAOYSA-N 0 0 403.439 2.546 50 0 HFAARN COc1cccc(C(=O)[C@@H]2[C@@H]3C(=O)NC(=O)[C@H]3[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000253529929 569382548 /nfs/dbraw/zinc/38/25/48/569382548.db2.gz PZRIVGOCCJHOOU-BURNTYAHSA-N 0 0 402.450 2.749 50 0 HFAARN COc1ccc2[nH]c(=O)c([C@@H](CC(N)=O)c3c(Cc4ccccc4)[nH][nH]c3=O)cc2c1 ZINC000252499660 569387824 /nfs/dbraw/zinc/38/78/24/569387824.db2.gz SDRVAFBEDPZQDV-MRXNPFEDSA-N 0 0 418.453 2.976 50 0 HFAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c(OC)c1 ZINC000008983232 569391046 /nfs/dbraw/zinc/39/10/46/569391046.db2.gz FYVPVLZVNDBRNK-DHZHZOJOSA-N 0 0 404.488 2.914 50 0 HFAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccc1Cl ZINC000002384410 569391835 /nfs/dbraw/zinc/39/18/35/569391835.db2.gz QWWBJTGYJJHXLO-UHFFFAOYSA-N 0 0 417.878 2.814 50 0 HFAARN COc1ccc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000027755028 569393088 /nfs/dbraw/zinc/39/30/88/569393088.db2.gz FDHQGVGPOJVAOK-QGZVFWFLSA-N 0 0 407.463 2.672 50 0 HFAARN Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027757535 569393220 /nfs/dbraw/zinc/39/32/20/569393220.db2.gz ANCIIWJJPMGMIC-QVKFZJNVSA-N 0 0 423.494 2.823 50 0 HFAARN COc1cc(-c2nc3s/c(=C\c4cccc(F)c4)c(=O)n3n2)cc(OC)c1OC ZINC000002394197 569394122 /nfs/dbraw/zinc/39/41/22/569394122.db2.gz RTVXAXQMJPRJCZ-PXNMLYILSA-N 0 0 413.430 2.531 50 0 HFAARN CC1(C)Cc2c(sc3nc(SCC(=O)NC[C@H]4CCCO4)nc(N)c23)CO1 ZINC000002410807 569396872 /nfs/dbraw/zinc/39/68/72/569396872.db2.gz RCJISGIGCIOZJU-SNVBAGLBSA-N 0 0 408.549 2.512 50 0 HFAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccc2c(c1)OCO2 ZINC000002415781 569397268 /nfs/dbraw/zinc/39/72/68/569397268.db2.gz GHHWPOURCSLOBK-CYBMUJFWSA-N 0 0 411.805 2.844 50 0 HFAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000115408379 569397568 /nfs/dbraw/zinc/39/75/68/569397568.db2.gz GKVIPQTVJOFWSC-UHFFFAOYSA-N 0 0 419.341 2.999 50 0 HFAARN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCc1c[nH]c3ccccc13)C(=O)N2C(C)C ZINC000012892319 569404549 /nfs/dbraw/zinc/40/45/49/569404549.db2.gz KCSVJYNIAMIDSK-OAQYLSRUSA-N 0 0 418.497 2.748 50 0 biogenic HFAARN COc1cc2c(c3oc(=O)c(CCC(=O)N(C)CCO)c(C)c13)CCC(C)(C)O2 ZINC000012894184 569404676 /nfs/dbraw/zinc/40/46/76/569404676.db2.gz PVUCQHMYQPJIJA-UHFFFAOYSA-N 0 0 403.475 2.597 50 0 biogenic HFAARN COC(=O)CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)[C@@H](C)CCC3 ZINC000002451332 569405633 /nfs/dbraw/zinc/40/56/33/569405633.db2.gz GSWNGMWIBXCBAU-QMMMGPOBSA-N 0 0 402.505 2.903 50 0 HFAARN CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000013038626 569407729 /nfs/dbraw/zinc/40/77/29/569407729.db2.gz QSEGBRKTUAQVFE-RXVVDRJESA-N 0 0 421.607 2.640 50 0 HFAARN CC[C@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000013038901 569407845 /nfs/dbraw/zinc/40/78/45/569407845.db2.gz HQLJOHXZOGAYBB-AWEZNQCLSA-N 0 0 404.488 2.760 50 0 HFAARN Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013070193 569408596 /nfs/dbraw/zinc/40/85/96/569408596.db2.gz BXAVUXIAMXDFRP-UHFFFAOYSA-N 0 0 404.488 2.854 50 0 HFAARN Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000013096275 569408880 /nfs/dbraw/zinc/40/88/80/569408880.db2.gz PZXXRGVWOBJWGN-UHFFFAOYSA-N 0 0 404.488 2.772 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)CC2 ZINC000007951788 569410164 /nfs/dbraw/zinc/41/01/64/569410164.db2.gz VQSYSMYJODFZSA-UHFFFAOYSA-N 0 0 404.850 2.681 50 0 HFAARN CCOCCn1c2ccccc2s/c1=N/C(=O)c1ccccc1S(C)(=O)=O ZINC000013286780 569410549 /nfs/dbraw/zinc/41/05/49/569410549.db2.gz PVUNGEXDAWAWFP-FMQUCBEESA-N 0 0 404.513 2.884 50 0 HFAARN Cc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C ZINC000013364423 569412039 /nfs/dbraw/zinc/41/20/39/569412039.db2.gz FFSLNSPWOKVPJV-UHFFFAOYSA-N 0 0 406.486 2.788 50 0 HFAARN Cc1nc(-c2ccccc2)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000007953473 569413895 /nfs/dbraw/zinc/41/38/95/569413895.db2.gz BKUYNUPWXCKUKQ-UHFFFAOYSA-N 0 0 401.513 2.738 50 0 HFAARN CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(N(C)C)c1 ZINC000328599484 569416315 /nfs/dbraw/zinc/41/63/15/569416315.db2.gz SHXWEXFADVUEJU-HXUWFJFHSA-N 0 0 400.504 2.822 50 0 HFAARN CCN(CC)c1ccc(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cn1 ZINC000078821052 569420647 /nfs/dbraw/zinc/42/06/47/569420647.db2.gz FLEPWGDLRISNJV-UHFFFAOYSA-N 0 0 400.527 2.566 50 0 HFAARN CCN1CCO[C@@H](C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000078999556 569423365 /nfs/dbraw/zinc/42/33/65/569423365.db2.gz JAVQNRNFSFVRJA-SIKLNZKXSA-N 0 0 410.514 2.868 50 0 HFAARN CCN1CCO[C@H](C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000078999551 569423432 /nfs/dbraw/zinc/42/34/32/569423432.db2.gz JAVQNRNFSFVRJA-UGKGYDQZSA-N 0 0 410.514 2.868 50 0 HFAARN C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000019600250 569425062 /nfs/dbraw/zinc/42/50/62/569425062.db2.gz GZRKLLJUUFTQFV-GFCCVEGCSA-N 0 0 411.321 2.907 50 0 HFAARN CC[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000079053368 569425712 /nfs/dbraw/zinc/42/57/12/569425712.db2.gz PSCLGDMZDNVUOI-OAHLLOKOSA-N 0 0 424.510 2.694 50 0 HFAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C ZINC000019625705 569426093 /nfs/dbraw/zinc/42/60/93/569426093.db2.gz UPNFAWPBDMQTBV-UHFFFAOYSA-N 0 0 414.893 2.587 50 0 HFAARN O=C(CCn1cnc2ccccc2c1=O)OCCNc1ccc(C(F)(F)F)cn1 ZINC000079110398 569427980 /nfs/dbraw/zinc/42/79/80/569427980.db2.gz WENDILVEWQPHCN-UHFFFAOYSA-N 0 0 406.364 2.856 50 0 HFAARN 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/nfs/dbraw/zinc/11/86/62/523118662.db2.gz NKQYCKUADRPMBN-KBPBESRZSA-N 0 0 405.476 2.638 50 0 HFAARN CCn1c(COC(=O)c2cc(Cl)c[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000032777156 523196788 /nfs/dbraw/zinc/19/67/88/523196788.db2.gz WALBYIMTLJEZRI-UHFFFAOYSA-N 0 0 410.883 2.645 50 0 HFAARN CCn1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2n(CC)c(=O)c1=O ZINC000032958440 523268251 /nfs/dbraw/zinc/26/82/51/523268251.db2.gz UHXGNOLPPOGBOL-UHFFFAOYSA-N 0 0 407.879 2.657 50 0 HFAARN COCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)n2c3ccccc3nc21 ZINC000032581138 523292977 /nfs/dbraw/zinc/29/29/77/523292977.db2.gz GZOHNEJZPORSFV-SFHVURJKSA-N 0 0 408.458 2.998 50 0 HFAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2C1=O ZINC000032073748 523295144 /nfs/dbraw/zinc/29/51/44/523295144.db2.gz SMCQUPHBSQRHAD-UHFFFAOYSA-N 0 0 406.394 2.678 50 0 HFAARN COc1ccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)CN4CCOCC4)c32)cc1 ZINC000036619455 523303465 /nfs/dbraw/zinc/30/34/65/523303465.db2.gz MSMOSYSWKPTIHB-OAHLLOKOSA-N 0 0 410.474 2.657 50 0 HFAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCN2CCOCC2)cc1 ZINC000019838305 523352578 /nfs/dbraw/zinc/35/25/78/523352578.db2.gz PUKMGLFIKGTNFQ-FQEVSTJZSA-N 0 0 412.534 2.733 50 0 HFAARN CN(Cc1ccsc1)c1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 ZINC000020450215 523486159 /nfs/dbraw/zinc/48/61/59/523486159.db2.gz DXGXNENDJCDGNL-UHFFFAOYSA-N 0 0 408.531 2.922 50 0 HFAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000032962391 523496496 /nfs/dbraw/zinc/49/64/96/523496496.db2.gz SLNWJBOOAWRXLX-UHFFFAOYSA-N 0 0 417.259 2.956 50 0 HFAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1nc[nH]n1 ZINC000032776419 523826763 /nfs/dbraw/zinc/82/67/63/523826763.db2.gz OTCIXZKKYZLPGI-UHFFFAOYSA-N 0 0 422.470 2.552 50 0 HFAARN COc1ccc(CCC2CCN(C(=O)Cn3[nH]c(=O)c4ccccc4c3=O)CC2)cc1 ZINC000032857559 523927799 /nfs/dbraw/zinc/92/77/99/523927799.db2.gz SBFOJODGIVQNGB-UHFFFAOYSA-N 0 0 421.497 2.982 50 0 HFAARN CCc1ccc(Cn2nccc2NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 ZINC000040052132 523955147 /nfs/dbraw/zinc/95/51/47/523955147.db2.gz ULIPTADUICNEIF-HXUWFJFHSA-N 0 0 416.485 2.553 50 0 HFAARN COCCNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCCC3)ccc1OC ZINC000032906542 523959212 /nfs/dbraw/zinc/95/92/12/523959212.db2.gz KWSBSVGZADPFHJ-UHFFFAOYSA-N 0 0 418.515 2.751 50 0 HFAARN COc1ccc(CCNC(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000069927182 523970113 /nfs/dbraw/zinc/97/01/13/523970113.db2.gz SPHMVTOGDXKDNB-LEWJYISDSA-N 0 0 419.481 2.628 50 0 HFAARN CC[C@H](C)NC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000040411493 523970818 /nfs/dbraw/zinc/97/08/18/523970818.db2.gz BHOKDJXJMNYAOP-AWEZNQCLSA-N 0 0 414.433 2.728 50 0 HFAARN CN1CCc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)sc2C1 ZINC000032727671 524003340 /nfs/dbraw/zinc/00/33/40/524003340.db2.gz WFBPEIJLXRWHFN-UHFFFAOYSA-N 0 0 420.485 2.900 50 0 HFAARN COC(=O)[C@](NC(=O)COc1ccccc1)(Nc1ccc(Cl)cn1)C(F)(F)F ZINC000019944263 524007128 /nfs/dbraw/zinc/00/71/28/524007128.db2.gz DOEHZIOGDAFRHA-MRXNPFEDSA-N 0 0 417.771 2.774 50 0 HFAARN C[C@H](CC1CCCCC1)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000072411040 524112414 /nfs/dbraw/zinc/11/24/14/524112414.db2.gz MJWJLAIXVFDXSF-OAHLLOKOSA-N 0 0 417.597 2.884 50 0 HFAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c1 ZINC000031812137 524130575 /nfs/dbraw/zinc/13/05/75/524130575.db2.gz CLDZJTDDIPUOJA-INIZCTEOSA-N 0 0 407.459 2.630 50 0 HFAARN COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 ZINC000032368736 524206182 /nfs/dbraw/zinc/20/61/82/524206182.db2.gz MQXKWLJVGIGJHJ-FQEVSTJZSA-N 0 0 414.889 2.775 50 0 HFAARN COc1ccccc1-c1noc(Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)n1 ZINC000048986274 524295962 /nfs/dbraw/zinc/29/59/62/524295962.db2.gz NOUDLLUITOSEBO-UHFFFAOYSA-N 0 0 418.388 2.804 50 0 HFAARN Cc1cccc(C)c1OCCN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000042181382 524311401 /nfs/dbraw/zinc/31/14/01/524311401.db2.gz WWEPYBDONFIAGJ-NRFANRHFSA-N 0 0 416.499 2.553 50 0 HFAARN Cc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]23)cc1 ZINC000032682201 524484051 /nfs/dbraw/zinc/48/40/51/524484051.db2.gz NAASXDZYJWDYBA-JOCHJYFZSA-N 0 0 413.543 2.962 50 0 HFAARN COc1ccc(NC(=O)Cn2c(C)nc3c4cccnc4sc3c2=O)cc1OC ZINC000045895810 524527968 /nfs/dbraw/zinc/52/79/68/524527968.db2.gz XFOOMKONVLDNAX-UHFFFAOYSA-N 0 0 410.455 2.971 50 0 HFAARN COc1ccc(NC(=O)NCc2ccnc(-n3cccn3)c2)cc1N1CCCC1=O ZINC000048353573 524569385 /nfs/dbraw/zinc/56/93/85/524569385.db2.gz WDFSVRHJRBXWEV-UHFFFAOYSA-N 0 0 406.446 2.724 50 0 HFAARN Cc1cccc2c(=O)n(CCC(=O)NCc3ccc(OC[C@H]4CCCO4)cc3)cnc12 ZINC000032930228 524926655 /nfs/dbraw/zinc/92/66/55/524926655.db2.gz RPYYZPAELQQPIS-HXUWFJFHSA-N 0 0 421.497 2.969 50 0 HFAARN C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc2c(c1)OCCCO2 ZINC000032284586 524932401 /nfs/dbraw/zinc/93/24/01/524932401.db2.gz ZLBJPGMCEGOCFA-XIRDDKMYSA-N 0 0 400.475 2.590 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC000040052687 524982705 /nfs/dbraw/zinc/98/27/05/524982705.db2.gz FBFGCGOGOGPQFC-SJLPKXTDSA-N 0 0 414.527 2.971 50 0 HFAARN Cc1cccc2sc(NC(=O)[C@H](C)NC3=NS(=O)(=O)c4ccccc43)nc21 ZINC000032855838 524999127 /nfs/dbraw/zinc/99/91/27/524999127.db2.gz HJKRBNYXQXMAPG-NSHDSACASA-N 0 0 400.485 2.670 50 0 HFAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC2CCC(O)CC2)cc1 ZINC000040160952 525003206 /nfs/dbraw/zinc/00/32/06/525003206.db2.gz XWROVOGLOPCMEI-UHFFFAOYSA-N 0 0 406.479 2.968 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000032901568 525053335 /nfs/dbraw/zinc/05/33/35/525053335.db2.gz OVAIVORWDCNVOX-LBPRGKRZSA-N 0 0 408.451 2.681 50 0 HFAARN COc1ccc(S(=O)(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000032927412 525058221 /nfs/dbraw/zinc/05/82/21/525058221.db2.gz DMVVNJZILIHNCF-UHFFFAOYSA-N 0 0 419.425 2.898 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)C)cc1 ZINC000032845498 525072216 /nfs/dbraw/zinc/07/22/16/525072216.db2.gz IOBQTTSVQPHFQX-CJNGLKHVSA-N 0 0 422.469 2.799 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc3c(cc(F)cc3F)s2)s1 ZINC000025056740 525199096 /nfs/dbraw/zinc/19/90/96/525199096.db2.gz ASUHSTFIKBLSFT-UHFFFAOYSA-N 0 0 417.484 2.980 50 0 HFAARN Cc1ccccc1Cn1nnc2c1ncn(CC(=O)Nc1ccc(Cl)cc1)c2=O ZINC000040477211 525213565 /nfs/dbraw/zinc/21/35/65/525213565.db2.gz DBKNJXLUMHFFOU-UHFFFAOYSA-N 0 0 408.849 2.637 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000032994710 534849182 /nfs/dbraw/zinc/84/91/82/534849182.db2.gz PGGUQSUZOHKCTL-IBGZPJMESA-N 0 0 401.507 2.937 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)CC2)cc1 ZINC000012553971 534849683 /nfs/dbraw/zinc/84/96/83/534849683.db2.gz DJBZJCHHWYTOAN-DEOSSOPVSA-N 0 0 421.541 2.921 50 0 HFAARN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000032808738 525356005 /nfs/dbraw/zinc/35/60/05/525356005.db2.gz RRPZFMOICZAHGB-CQSZACIVSA-N 0 0 409.408 2.761 50 0 HFAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000032855834 525395418 /nfs/dbraw/zinc/39/54/18/525395418.db2.gz MPOXPYZPKJQKQP-SECBINFHSA-N 0 0 404.448 2.501 50 0 HFAARN Cc1ccc(OCCSc2ncn(-c3nc(NC(C)C)nc(N(C)C)n3)n2)cc1 ZINC000025496467 525425440 /nfs/dbraw/zinc/42/54/40/525425440.db2.gz MDCGQYJHTMOQDT-UHFFFAOYSA-N 0 0 414.539 2.818 50 0 HFAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000032850805 525556107 /nfs/dbraw/zinc/55/61/07/525556107.db2.gz ICEOEGPJFUFRFU-RTBURBONSA-N 0 0 404.557 2.890 50 0 HFAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000032874021 525575677 /nfs/dbraw/zinc/57/56/77/525575677.db2.gz CRAFMDTYVDVPPE-VXGBXAGGSA-N 0 0 410.879 2.613 50 0 HFAARN CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccccc1 ZINC000032101618 525589062 /nfs/dbraw/zinc/58/90/62/525589062.db2.gz CYPWYNXEXCCZRW-LPHOPBHVSA-N 0 0 411.527 2.916 50 0 HFAARN Cc1ccc(-c2nn3c(nc(CNC(=O)COc4cccc(F)c4)cc3=O)s2)cc1 ZINC000041077111 525843625 /nfs/dbraw/zinc/84/36/25/525843625.db2.gz AIWAFEWAYFXTHV-UHFFFAOYSA-N 0 0 424.457 2.961 50 0 HFAARN Cc1ccc(-c2noc([C@H](C)OC(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1F ZINC000042106009 525886540 /nfs/dbraw/zinc/88/65/40/525886540.db2.gz BLSQWIHIIBLMCB-NSHDSACASA-N 0 0 405.407 2.750 50 0 HFAARN C[C@@H](OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(=O)N1CCCc2ccccc21 ZINC000032910889 525895740 /nfs/dbraw/zinc/89/57/40/525895740.db2.gz KPGOPHPPMHJYMU-OAHLLOKOSA-N 0 0 406.438 2.865 50 0 HFAARN COc1cccc(CNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c1 ZINC000020574379 525978012 /nfs/dbraw/zinc/97/80/12/525978012.db2.gz KFESHGNCOMLKQP-UHFFFAOYSA-N 0 0 408.389 2.516 50 0 HFAARN C[C@@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032777852 526014922 /nfs/dbraw/zinc/01/49/22/526014922.db2.gz YBLDMOFRUGNNCQ-JLZSUIFSSA-N 0 0 423.604 2.983 50 0 HFAARN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000032850968 526171650 /nfs/dbraw/zinc/17/16/50/526171650.db2.gz GYJKJHJUCBOXIS-INIZCTEOSA-N 0 0 409.538 2.983 50 0 HFAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2sccc2c(=O)n1C ZINC000032861103 526216297 /nfs/dbraw/zinc/21/62/97/526216297.db2.gz PCINHODUJXCWJG-NSHDSACASA-N 0 0 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/nfs/dbraw/zinc/86/58/59/558865859.db2.gz YNPPBBARLJUNHI-UHFFFAOYSA-N 0 0 414.487 2.758 50 0 HFAARN NC(=O)C1CCN(C(=O)CCCc2nc3cccnc3n2Cc2ccccc2)CC1 ZINC000033072473 558866866 /nfs/dbraw/zinc/86/68/66/558866866.db2.gz OVEPCEYCUBVERD-UHFFFAOYSA-N 0 0 405.502 2.526 50 0 HFAARN CCn1c2ccccc2nc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000010651734 558866978 /nfs/dbraw/zinc/86/69/78/558866978.db2.gz OGXXSRSQPQVWJT-HSZRJFAPSA-N 0 0 417.469 2.778 50 0 HFAARN O=C(N[C@@H](N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000019333960 558869195 /nfs/dbraw/zinc/86/91/95/558869195.db2.gz NDLHVEJJQWWOTD-ZYHUDNBSSA-N 0 0 420.145 2.543 50 0 HFAARN CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1Cl ZINC000004653800 558869332 /nfs/dbraw/zinc/86/93/32/558869332.db2.gz XVIILJKKTQPXMY-QGZVFWFLSA-N 0 0 413.865 2.804 50 0 HFAARN Cc1nonc1N1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000055089485 558872072 /nfs/dbraw/zinc/87/20/72/558872072.db2.gz PWARHMXTBPQPTH-UHFFFAOYSA-N 0 0 408.384 2.693 50 0 HFAARN COCCNC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000033113202 558875244 /nfs/dbraw/zinc/87/52/44/558875244.db2.gz AWWPTJFNOIMEHI-LBPRGKRZSA-N 0 0 423.926 2.979 50 0 HFAARN COC(=O)c1ccc(N2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)cc1 ZINC000055211703 558876192 /nfs/dbraw/zinc/87/61/92/558876192.db2.gz QJAUHKXJFDEDDK-UHFFFAOYSA-N 0 0 410.449 2.908 50 0 HFAARN CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000055227604 558876933 /nfs/dbraw/zinc/87/69/33/558876933.db2.gz IPQCJJCLFDQWDY-OAQYLSRUSA-N 0 0 409.486 2.965 50 0 HFAARN Cc1ccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2C)cc1C ZINC000033121761 558878567 /nfs/dbraw/zinc/87/85/67/558878567.db2.gz OHUFWUKXWZUEIM-UHFFFAOYSA-N 0 0 414.531 2.713 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000033122594 558879355 /nfs/dbraw/zinc/87/93/55/558879355.db2.gz VCTQTKMUQZQJOO-UHFFFAOYSA-N 0 0 403.504 2.978 50 0 HFAARN CCn1c(CCNC(=O)CCCn2cnc3ccccc3c2=O)nc2ccccc21 ZINC000055344639 558879672 /nfs/dbraw/zinc/87/96/72/558879672.db2.gz LWVKOSXTGOHPOR-UHFFFAOYSA-N 0 0 403.486 2.905 50 0 HFAARN CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000055575510 558883154 /nfs/dbraw/zinc/88/31/54/558883154.db2.gz HQXVFCUVIYURRC-GOSISDBHSA-N 0 0 417.554 2.836 50 0 HFAARN CCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000033131322 558887720 /nfs/dbraw/zinc/88/77/20/558887720.db2.gz KCZSKGDCZFFHDI-UHFFFAOYSA-N 0 0 422.934 2.853 50 0 HFAARN Cc1cc(C)cc(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000011228048 558892223 /nfs/dbraw/zinc/89/22/23/558892223.db2.gz PACZOBWLFHFPPB-UHFFFAOYSA-N 0 0 408.545 2.713 50 0 HFAARN COc1cc2c(cc1OC)CN(Cc1nc(CC(=O)NCc3ccccc3)no1)CC2 ZINC000057987125 558892426 /nfs/dbraw/zinc/89/24/26/558892426.db2.gz FPWOICFHBCWCPD-UHFFFAOYSA-N 0 0 422.485 2.504 50 0 HFAARN COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1NC(C)=O ZINC000057991011 558892655 /nfs/dbraw/zinc/89/26/55/558892655.db2.gz GTNDJIFCWKDYTB-UHFFFAOYSA-N 0 0 414.487 2.626 50 0 HFAARN COC(=O)c1cccc(OCCSc2nnnn2-c2cc(C)ccc2OC)c1 ZINC000058003918 558894043 /nfs/dbraw/zinc/89/40/43/558894043.db2.gz WXHOVOBVXJKBAD-UHFFFAOYSA-N 0 0 400.460 2.937 50 0 HFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000033161905 558896034 /nfs/dbraw/zinc/89/60/34/558896034.db2.gz FTHQALUFVKZOIY-CYBMUJFWSA-N 0 0 408.501 2.574 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N(C)CCc2ccncc2)cc1 ZINC000058023653 558896057 /nfs/dbraw/zinc/89/60/57/558896057.db2.gz AIEGZAICDYXCKU-FQEVSTJZSA-N 0 0 403.548 2.784 50 0 HFAARN CCOc1ccc(CC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000058109399 558899572 /nfs/dbraw/zinc/89/95/72/558899572.db2.gz DUBYSACJEOXCTA-UHFFFAOYSA-N 0 0 400.450 2.659 50 0 HFAARN C[C@@H]1CN(c2ccccc2NC(=O)NCc2ccc(-n3cncn3)nc2)C[C@H](C)O1 ZINC000058152112 558902698 /nfs/dbraw/zinc/90/26/98/558902698.db2.gz CHLFFAKJYNKPEA-IYBDPMFKSA-N 0 0 407.478 2.598 50 0 HFAARN COc1cc(CNS(=O)(=O)c2cc(-c3ccno3)cs2)cc(OC)c1OC ZINC000033169516 558902914 /nfs/dbraw/zinc/90/29/14/558902914.db2.gz OUOFGVMWTYNWNZ-UHFFFAOYSA-N 0 0 410.473 2.907 50 0 HFAARN CNS(=O)(=O)c1cccc(NC(=O)NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000058157442 558903261 /nfs/dbraw/zinc/90/32/61/558903261.db2.gz GEHQGWOFAOOEFO-UHFFFAOYSA-N 0 0 417.535 2.692 50 0 HFAARN CCN(CC)c1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N2CCC(CO)CC2)cn1 ZINC000058162018 558905855 /nfs/dbraw/zinc/90/58/55/558905855.db2.gz AMZDWHACLLDSIC-IBGZPJMESA-N 0 0 419.570 2.695 50 0 HFAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2C2CCCC2)cc1OC ZINC000058166518 558906968 /nfs/dbraw/zinc/90/69/68/558906968.db2.gz LSDJBNHHJXKCSG-KRWDZBQOSA-N 0 0 410.536 2.553 50 0 HFAARN Cc1cccn2c(CN3CCC(O)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071758872 558909840 /nfs/dbraw/zinc/90/98/40/558909840.db2.gz WDDUXTAKENQKLY-UHFFFAOYSA-N 0 0 406.530 2.914 50 0 HFAARN CC(=O)N[C@@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000071759411 558909850 /nfs/dbraw/zinc/90/98/50/558909850.db2.gz FMUNPEQXAHMGMB-MRXNPFEDSA-N 0 0 403.552 2.513 50 0 HFAARN O=C(NCCSc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000058201951 558911316 /nfs/dbraw/zinc/91/13/16/558911316.db2.gz SJIKDYYMFIZCMG-UHFFFAOYSA-N 0 0 401.879 2.768 50 0 HFAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O ZINC000004704833 558912407 /nfs/dbraw/zinc/91/24/07/558912407.db2.gz NKFOGVFSAYSETN-GFQQVXNGSA-N 0 0 416.455 2.802 50 0 HFAARN COc1ccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n23)cc1OC ZINC000004708634 558914069 /nfs/dbraw/zinc/91/40/69/558914069.db2.gz IRAVWYZHKHRJPQ-CYBMUJFWSA-N 0 0 404.426 2.678 50 0 HFAARN O=C(CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)Nc1ccc(-n2cccn2)cc1 ZINC000058244686 558914329 /nfs/dbraw/zinc/91/43/29/558914329.db2.gz TXOMCQBCKJNRBV-HNNXBMFYSA-N 0 0 410.861 2.832 50 0 HFAARN COc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000019553142 558916371 /nfs/dbraw/zinc/91/63/71/558916371.db2.gz GNJDDWRNIFMZLV-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN Cc1ccccc1S(=O)(=O)c1c(C(=O)N2CCOCC2)cnc2ccc(F)cc21 ZINC000033249425 558916392 /nfs/dbraw/zinc/91/63/92/558916392.db2.gz PKBYDQQRBRQFAQ-UHFFFAOYSA-N 0 0 414.458 2.988 50 0 HFAARN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 ZINC000004711425 558916822 /nfs/dbraw/zinc/91/68/22/558916822.db2.gz OWEWNWVKFQVFAP-HXUWFJFHSA-N 0 0 410.514 2.974 50 0 biogenic HFAARN O=C(CN1C(=O)c2cccnc2C1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000058294687 558917172 /nfs/dbraw/zinc/91/71/72/558917172.db2.gz FJDZHIVCEIXNJY-UHFFFAOYSA-N 0 0 423.498 2.636 50 0 HFAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@H]3CCCN(c4cnccn4)C3)c2)n1 ZINC000058304597 558917983 /nfs/dbraw/zinc/91/79/83/558917983.db2.gz XHBXZDPHWQRMTA-INIZCTEOSA-N 0 0 420.473 2.694 50 0 HFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000033251877 558919881 /nfs/dbraw/zinc/91/98/81/558919881.db2.gz GWPAXRFKSUJOLH-QGZVFWFLSA-N 0 0 420.462 2.779 50 0 HFAARN Cc1oc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000058355247 558921374 /nfs/dbraw/zinc/92/13/74/558921374.db2.gz SZNKBKYAABPEOV-GFCCVEGCSA-N 0 0 402.476 2.740 50 0 HFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)CC1=O ZINC000058358097 558921732 /nfs/dbraw/zinc/92/17/32/558921732.db2.gz HYUUNZPCIKCKLR-GDBMZVCRSA-N 0 0 400.862 2.821 50 0 HFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC000033256158 558923681 /nfs/dbraw/zinc/92/36/81/558923681.db2.gz IDUWDJBXMBCKGX-UHFFFAOYSA-N 0 0 423.517 2.728 50 0 HFAARN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1OC ZINC000072158031 558930056 /nfs/dbraw/zinc/93/00/56/558930056.db2.gz KKQFPSJKLPDLOP-HSZRJFAPSA-N 0 0 409.486 2.754 50 0 HFAARN COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc([C@@H](C)[NH+](C)C)c2)c1 ZINC000072167636 558930182 /nfs/dbraw/zinc/93/01/82/558930182.db2.gz QKJJOLPHRZGICE-CQSZACIVSA-N 0 0 406.504 2.599 50 0 HFAARN COc1cc(OC)c(OC)cc1CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000059038794 558931656 /nfs/dbraw/zinc/93/16/56/558931656.db2.gz GSACCQQAPUJUQT-UHFFFAOYSA-N 0 0 411.458 2.507 50 0 HFAARN CCn1c(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc21 ZINC000060163367 558941515 /nfs/dbraw/zinc/94/15/15/558941515.db2.gz KKIPBVAINGCPLI-UHFFFAOYSA-N 0 0 412.515 2.651 50 0 HFAARN COc1cccc(-c2nc(COC(=O)C[C@@H]3CCS(=O)(=O)C3)cs2)c1OC ZINC000019608308 558946551 /nfs/dbraw/zinc/94/65/51/558946551.db2.gz AUJJIDSABWQRRW-LBPRGKRZSA-N 0 0 411.501 2.695 50 0 HFAARN CN(C)c1ccc(-c2cccc(-c3ccn(CC(=O)NCc4ccco4)n3)c2)nn1 ZINC000019636402 558947527 /nfs/dbraw/zinc/94/75/27/558947527.db2.gz YZRRPCJOVUAUIL-UHFFFAOYSA-N 0 0 402.458 2.983 50 0 HFAARN COc1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000097943987 558950934 /nfs/dbraw/zinc/95/09/34/558950934.db2.gz SLQFOHVQBXREOG-NRFANRHFSA-N 0 0 422.485 2.848 50 0 HFAARN Cc1ccc(CNC(=O)CCc2c(C)n(C)c3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000021807160 558952280 /nfs/dbraw/zinc/95/22/80/558952280.db2.gz PAYBENIQGAFCHM-UHFFFAOYSA-N 0 0 415.497 2.961 50 0 HFAARN CCOC(=O)c1noc2nc(C)n([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)c(=O)c21 ZINC000033059550 558953098 /nfs/dbraw/zinc/95/30/98/558953098.db2.gz TYTFSGFVQPLHLM-CYBMUJFWSA-N 0 0 412.446 2.995 50 0 HFAARN Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000033060101 558953600 /nfs/dbraw/zinc/95/36/00/558953600.db2.gz VENSOWPXPKYFME-UHFFFAOYSA-N 0 0 406.552 2.885 50 0 HFAARN CCn1nc(C)c(CCNC(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)c1C ZINC000033060417 558954857 /nfs/dbraw/zinc/95/48/57/558954857.db2.gz DWQGIFZCYDIRKN-UHFFFAOYSA-N 0 0 412.519 2.905 50 0 HFAARN CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2ccc(C(=O)OC)cc2)nc1N ZINC000021871681 558960010 /nfs/dbraw/zinc/96/00/10/558960010.db2.gz LQMLPFFNUVDBEC-AWEZNQCLSA-N 0 0 418.475 2.532 50 0 HFAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCc1ccco1 ZINC000033068539 558963340 /nfs/dbraw/zinc/96/33/40/558963340.db2.gz IHDBFSCICQGHSZ-UHFFFAOYSA-N 0 0 423.856 2.774 50 0 HFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NCCC(C)C)nnc3c2=O)cc1 ZINC000064591648 558964673 /nfs/dbraw/zinc/96/46/73/558964673.db2.gz KYPFTTVVMCCVPG-UHFFFAOYSA-N 0 0 411.506 2.764 50 0 HFAARN 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/nfs/dbraw/zinc/98/04/97/558980497.db2.gz DVJXGZNYBGHFHR-LJQANCHMSA-N 0 0 408.458 2.527 50 0 HFAARN CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000072442133 558982126 /nfs/dbraw/zinc/98/21/26/558982126.db2.gz SBNAYFUCWOBHDX-QZTJIDSGSA-N 0 0 414.955 2.503 50 0 HFAARN CCOc1cc2c(cc1CNC(=O)Cn1nc(-c3cccs3)oc1=O)O[C@@H](C)C2 ZINC000023004427 558984701 /nfs/dbraw/zinc/98/47/01/558984701.db2.gz ZWNNQBCQLZKUHR-LBPRGKRZSA-N 0 0 415.471 2.603 50 0 HFAARN COc1ccc(CC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 ZINC000067604678 558988563 /nfs/dbraw/zinc/98/85/63/558988563.db2.gz GQPIKIPQSOQVLQ-UHFFFAOYSA-N 0 0 404.474 2.515 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)cc1 ZINC000033267435 558989828 /nfs/dbraw/zinc/98/98/28/558989828.db2.gz LJNFSQUHJQFPKU-KRWDZBQOSA-N 0 0 419.485 2.649 50 0 HFAARN CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)c1ccccc1F ZINC000067629391 558990083 /nfs/dbraw/zinc/99/00/83/558990083.db2.gz PIDCPXQKJMOVAJ-QGZVFWFLSA-N 0 0 406.479 2.701 50 0 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C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C ZINC000000813838 568494041 /nfs/dbraw/zinc/49/40/41/568494041.db2.gz MCRUAOYRPJNJPM-CJNGLKHVSA-N 0 0 419.526 2.671 50 0 HFAARN CC(=O)c1ccc(O[C@H](C)C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000008402868 568499402 /nfs/dbraw/zinc/49/94/02/568499402.db2.gz XEXVXHBWMDTNBN-CQSZACIVSA-N 0 0 407.430 2.911 50 0 HFAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000022773533 568499524 /nfs/dbraw/zinc/49/95/24/568499524.db2.gz OXLNDIRADABASR-RMKNXTFCSA-N 0 0 418.541 2.848 50 0 HFAARN CC[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)NC(=O)NC)n3C)cc2C1 ZINC000005776343 568505391 /nfs/dbraw/zinc/50/53/91/568505391.db2.gz ICSJXMAQWUWOGY-GHMZBOCLSA-N 0 0 407.565 2.995 50 0 HFAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccncc1 ZINC000031818992 568505484 /nfs/dbraw/zinc/50/54/84/568505484.db2.gz BPCKRENGIDKMQM-AWEZNQCLSA-N 0 0 405.483 2.917 50 0 HFAARN Cc1cc(C)c(CN2CCN(CC(=O)Nc3ccccc3F)S2(=O)=O)c(C)c1 ZINC000033045440 568510788 /nfs/dbraw/zinc/51/07/88/568510788.db2.gz JAEBNTCJGQHVLK-UHFFFAOYSA-N 0 0 405.495 2.752 50 0 HFAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)c1 ZINC000033197512 568511784 /nfs/dbraw/zinc/51/17/84/568511784.db2.gz SULPQZHPGXBMDA-UHFFFAOYSA-N 0 0 415.540 2.680 50 0 HFAARN O=C(NC1CCCCCC1)c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1 ZINC000033292454 568512983 /nfs/dbraw/zinc/51/29/83/568512983.db2.gz CMRCQLOSUNMALV-UHFFFAOYSA-N 0 0 411.437 2.933 50 0 HFAARN C[C@H]1CCc2c(sc3ncn4c(nc(=O)n4CC(=O)N(C)c4ccccc4)c23)C1 ZINC000033289444 568513639 /nfs/dbraw/zinc/51/36/39/568513639.db2.gz UEJJXUKGDMFIFP-ZDUSSCGKSA-N 0 0 407.499 2.894 50 0 HFAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000012378137 568551264 /nfs/dbraw/zinc/55/12/64/568551264.db2.gz XHEDHBYGQSFBOX-UHFFFAOYSA-N 0 0 422.304 2.766 50 0 HFAARN COC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)cc1 ZINC000390826884 568591194 /nfs/dbraw/zinc/59/11/94/568591194.db2.gz QLTGAQPJCOTLAV-SFHVURJKSA-N 0 0 405.447 2.614 50 0 HFAARN COc1cc(C(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc(OC)c1OC ZINC000390827032 568591382 /nfs/dbraw/zinc/59/13/82/568591382.db2.gz SMKOSDJMBNKOPD-UHFFFAOYSA-N 0 0 401.463 2.803 50 0 HFAARN Cn1c2cc(NC(=O)c3ccc4c(c3)OCO4)c(N3CCCCC3)cc2n(C)c1=O ZINC000020178543 568593024 /nfs/dbraw/zinc/59/30/24/568593024.db2.gz GTBUVJOZLSOYAL-UHFFFAOYSA-N 0 0 408.458 2.848 50 0 HFAARN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245410 568596156 /nfs/dbraw/zinc/59/61/56/568596156.db2.gz BMKAZTMOSVBGAW-MRXNPFEDSA-N 0 0 407.511 2.576 50 0 HFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000020274010 568596641 /nfs/dbraw/zinc/59/66/41/568596641.db2.gz FDXOYUWJZCFWQX-JXFKEZNVSA-N 0 0 410.426 2.728 50 0 biogenic HFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccc(C(C)C)cc1 ZINC000039547460 568599270 /nfs/dbraw/zinc/59/92/70/568599270.db2.gz ZVLSDOOHPXAUBG-UHFFFAOYSA-N 0 0 401.459 2.967 50 0 HFAARN COc1ccc(CN(C(=O)Nc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000095347449 568600030 /nfs/dbraw/zinc/60/00/30/568600030.db2.gz XKTSETJFEYAOCP-QGZVFWFLSA-N 0 0 404.488 2.925 50 0 HFAARN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000095365196 568602078 /nfs/dbraw/zinc/60/20/78/568602078.db2.gz VDPXOUXVLFYADE-UHFFFAOYSA-N 0 0 418.450 2.537 50 0 HFAARN COc1ccc(S(=O)(=O)CCNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000080345348 568602887 /nfs/dbraw/zinc/60/28/87/568602887.db2.gz XSCPYQBDLQVEGL-UHFFFAOYSA-N 0 0 400.456 2.862 50 0 HFAARN Cc1nn(CC(=O)NCc2cccc(Br)c2)c(=O)c2cc3occc3n21 ZINC000020386162 568603312 /nfs/dbraw/zinc/60/33/12/568603312.db2.gz HBHSEJCFBKDXIT-UHFFFAOYSA-N 0 0 415.247 2.630 50 0 HFAARN CC1(C)[C@@H]2C[C@H]1C(COC(=O)c1cc(S(=O)(=O)N3CCSCC3)c[nH]1)=CC2 ZINC000095377653 568603334 /nfs/dbraw/zinc/60/33/34/568603334.db2.gz BLYDVZFTYDIGJY-HOCLYGCPSA-N 0 0 410.561 2.901 50 0 HFAARN Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1 ZINC000020388222 568603775 /nfs/dbraw/zinc/60/37/75/568603775.db2.gz NDCJGBXJSNMZAM-UHFFFAOYSA-N 0 0 422.485 2.661 50 0 HFAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(Cl)c1C)N(C)CC3)OCO2 ZINC000020412849 568605709 /nfs/dbraw/zinc/60/57/09/568605709.db2.gz HMNCRJABNGESIS-QGZVFWFLSA-N 0 0 413.865 2.939 50 0 biogenic HFAARN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(COc4ccccc4)o3)C2=O)n(C)n1 ZINC000095403720 568605749 /nfs/dbraw/zinc/60/57/49/568605749.db2.gz QEYGVRMKDJHQHW-GOSISDBHSA-N 0 0 408.458 2.826 50 0 HFAARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N[C@H]1CCC(=O)NC1=O ZINC000095430604 568608841 /nfs/dbraw/zinc/60/88/41/568608841.db2.gz ZIGHDOYBBZPPAE-SFHVURJKSA-N 0 0 422.872 2.657 50 0 HFAARN CCCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)[nH]n1 ZINC000095440066 568610618 /nfs/dbraw/zinc/61/06/18/568610618.db2.gz IQKANJNFSITMFF-KRWDZBQOSA-N 0 0 401.463 2.682 50 0 HFAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000020489163 568613985 /nfs/dbraw/zinc/61/39/85/568613985.db2.gz SYKMZZIHZMYFCA-UHFFFAOYSA-N 0 0 408.527 2.671 50 0 HFAARN CC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1 ZINC000095451771 568614872 /nfs/dbraw/zinc/61/48/72/568614872.db2.gz RFTAAWBJWNYCEZ-UHFFFAOYSA-N 0 0 417.531 2.899 50 0 HFAARN CCCOC(=O)c1ccc(NS(=O)(=O)CCNC(=O)OCc2ccccc2)cc1 ZINC000095452402 568615197 /nfs/dbraw/zinc/61/51/97/568615197.db2.gz QBMMOJIQDXKONK-UHFFFAOYSA-N 0 0 420.487 2.922 50 0 HFAARN Cc1ccc(C(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cc1 ZINC000095453599 568615888 /nfs/dbraw/zinc/61/58/88/568615888.db2.gz WGGBYJOKCRXKQK-INIZCTEOSA-N 0 0 401.260 2.640 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000095461240 568620674 /nfs/dbraw/zinc/62/06/74/568620674.db2.gz IKSVROKFTDFALV-UHFFFAOYSA-N 0 0 415.457 2.706 50 0 HFAARN CC(C)n1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000095461606 568620862 /nfs/dbraw/zinc/62/08/62/568620862.db2.gz NVRMYELILVKRRA-OAHLLOKOSA-N 0 0 406.508 2.589 50 0 HFAARN COc1ccccc1CNc1ccc2nnc(CCNC(=O)c3ccccc3F)n2n1 ZINC000020516270 568623664 /nfs/dbraw/zinc/62/36/64/568623664.db2.gz MXDRNGHPUIHQAY-UHFFFAOYSA-N 0 0 420.448 2.857 50 0 HFAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000040142201 568624362 /nfs/dbraw/zinc/62/43/62/568624362.db2.gz PIYYNHRXLHZNCZ-KGVIQGDOSA-N 0 0 424.545 2.766 50 0 HFAARN Cc1cc(C)cc(NC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c1 ZINC000020531459 568627402 /nfs/dbraw/zinc/62/74/02/568627402.db2.gz DADXICIDBPGZLG-IBGZPJMESA-N 0 0 400.500 2.701 50 0 HFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000095478049 568631536 /nfs/dbraw/zinc/63/15/36/568631536.db2.gz YASFEWNFORTWBO-UHFFFAOYSA-N 0 0 420.395 2.589 50 0 HFAARN CC(=O)N1CC[C@H](CN(C)Cc2c(Br)cncc2Br)C1 ZINC000225422341 568636709 /nfs/dbraw/zinc/63/67/09/568636709.db2.gz FETQTVRYAPSYHX-LLVKDONJSA-N 0 0 405.134 2.907 50 0 HFAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CC(NC(=O)C3CCC3)C2)c1 ZINC000225423608 568636890 /nfs/dbraw/zinc/63/68/90/568636890.db2.gz XSHPLHKRANCEJU-UHFFFAOYSA-N 0 0 420.513 2.786 50 0 HFAARN O=C(CNC(=O)NCC1CCCC1)NCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000225428011 568637272 /nfs/dbraw/zinc/63/72/72/568637272.db2.gz TVUHYIPJTVNRGQ-UHFFFAOYSA-N 0 0 409.849 2.635 50 0 HFAARN CCc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)cc1 ZINC000020611871 568637561 /nfs/dbraw/zinc/63/75/61/568637561.db2.gz NCTBNFAOHGPUNA-NRFANRHFSA-N 0 0 416.481 2.852 50 0 biogenic HFAARN Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1 ZINC000225433262 568637641 /nfs/dbraw/zinc/63/76/41/568637641.db2.gz ZSGUDZNQDSPWJW-RBBKRZOGSA-N 0 0 407.514 2.506 50 0 HFAARN Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1 ZINC000225433231 568637656 /nfs/dbraw/zinc/63/76/56/568637656.db2.gz ZSGUDZNQDSPWJW-IFMALSPDSA-N 0 0 407.514 2.506 50 0 HFAARN CC[C@@H]1CN(C(=O)c2cc3c([nH]2)c(OC)c(OC)cc3OC)C[C@]2(CCOC2)O1 ZINC000225440882 568638348 /nfs/dbraw/zinc/63/83/48/568638348.db2.gz SJFPNEHLGFPUCH-ASSNKEHSSA-N 0 0 404.463 2.604 50 0 HFAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000007961509 568639348 /nfs/dbraw/zinc/63/93/48/568639348.db2.gz CNWXBZASWGWIEY-UHFFFAOYSA-N 0 0 422.460 2.953 50 0 HFAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)NCCCN3CCOCC3)cnn2c1C ZINC000020678032 568640054 /nfs/dbraw/zinc/64/00/54/568640054.db2.gz CGAZZGVEUJFORT-UHFFFAOYSA-N 0 0 421.545 2.697 50 0 HFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2cc(C)ccc2C)CC1 ZINC000020730261 568640980 /nfs/dbraw/zinc/64/09/80/568640980.db2.gz RGOWGZUYAZKWNU-UHFFFAOYSA-N 0 0 418.607 2.645 50 0 HFAARN C[C@@H](c1ncc(Br)cn1)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000225521412 568646358 /nfs/dbraw/zinc/64/63/58/568646358.db2.gz SSRXCHQKYRQSCZ-LBPRGKRZSA-N 0 0 409.332 2.798 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000020893221 568648370 /nfs/dbraw/zinc/64/83/70/568648370.db2.gz CIHJMVDQRKAGLN-MRXNPFEDSA-N 0 0 424.453 2.707 50 0 HFAARN COc1ccc(C(=O)Oc2cccc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c2)cc1 ZINC000020896576 568649055 /nfs/dbraw/zinc/64/90/55/568649055.db2.gz IFCHPAWXZKILML-GOSISDBHSA-N 0 0 413.455 2.915 50 0 HFAARN Cc1ccc([C@H](C)NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1C ZINC000225542885 568649274 /nfs/dbraw/zinc/64/92/74/568649274.db2.gz MGYGNCMFOUOMOM-HNNXBMFYSA-N 0 0 411.531 2.947 50 0 HFAARN COc1ccccc1NC(=O)C[C@@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020930245 568651899 /nfs/dbraw/zinc/65/18/99/568651899.db2.gz IMOFAYHWGRHXMO-CYBMUJFWSA-N 0 0 418.471 2.526 50 0 HFAARN COCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020942370 568652920 /nfs/dbraw/zinc/65/29/20/568652920.db2.gz VVPPTBUVWJYAHE-UHFFFAOYSA-N 0 0 407.470 2.976 50 0 HFAARN Cc1noc2ncnc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)c12 ZINC000020945303 568653455 /nfs/dbraw/zinc/65/34/55/568653455.db2.gz HBJIPWTUJWODLV-MRXNPFEDSA-N 0 0 424.480 2.631 50 0 HFAARN Cc1nn2c(nc(CSc3nnc(NC(=O)c4ccccc4)s3)cc2=O)s1 ZINC000020983381 568654903 /nfs/dbraw/zinc/65/49/03/568654903.db2.gz LTMZNOZXYSBLKC-UHFFFAOYSA-N 0 0 416.513 2.856 50 0 HFAARN CCOC(=O)c1cn(CC(=O)NCc2ccccc2Cl)c2nc(C)ccc2c1=O ZINC000020986495 568655267 /nfs/dbraw/zinc/65/52/67/568655267.db2.gz IZMGRRWIUBBWER-UHFFFAOYSA-N 0 0 413.861 2.851 50 0 HFAARN O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1C(F)(F)F ZINC000020994507 568656412 /nfs/dbraw/zinc/65/64/12/568656412.db2.gz FGFXIRLZWJNWJZ-UHFFFAOYSA-N 0 0 416.425 2.715 50 0 HFAARN CCC(C)(C)NC(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000020995636 568656645 /nfs/dbraw/zinc/65/66/45/568656645.db2.gz MONBMBXTVQOJEU-AWEZNQCLSA-N 0 0 406.548 2.843 50 0 HFAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(I)cc2)C[C@H](C)O1 ZINC000021055055 568661211 /nfs/dbraw/zinc/66/12/11/568661211.db2.gz HRWRWWHKJJJIPM-STQMWFEESA-N 0 0 416.303 2.909 50 0 HFAARN Cn1c(CCNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccccc1 ZINC000095943982 568662904 /nfs/dbraw/zinc/66/29/04/568662904.db2.gz YEUBEOLLHILRJV-KRWDZBQOSA-N 0 0 413.522 2.788 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000095945250 568663409 /nfs/dbraw/zinc/66/34/09/568663409.db2.gz GXDLPFULTDJAFB-SFHVURJKSA-N 0 0 420.487 2.832 50 0 HFAARN Cn1c2cc(-c3cccc(C(=O)NC[C@H]4Cc5ccccc5O4)c3)cnc2[nH]c1=O ZINC000095945783 568663645 /nfs/dbraw/zinc/66/36/45/568663645.db2.gz OTHPNYVONJUMER-GOSISDBHSA-N 0 0 400.438 2.662 50 0 HFAARN CC(C)(C)[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccc(F)c1 ZINC000095963977 568670422 /nfs/dbraw/zinc/67/04/22/568670422.db2.gz QXWFJZOWCXVOKM-IBGZPJMESA-N 0 0 411.485 2.778 50 0 HFAARN CCOc1ccc(CNS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1 ZINC000021154104 568673106 /nfs/dbraw/zinc/67/31/06/568673106.db2.gz FPOURZCKQGBGGM-UHFFFAOYSA-N 0 0 419.547 2.755 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)N[C@H]3CCCc4ccccc43)sc2n1 ZINC000021165408 568674692 /nfs/dbraw/zinc/67/46/92/568674692.db2.gz KZOGIBCCMJGTCU-KRWDZBQOSA-N 0 0 411.531 2.734 50 0 HFAARN Cc1csc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCCCC3)CC2)n1 ZINC000021166410 568674918 /nfs/dbraw/zinc/67/49/18/568674918.db2.gz XHMDEHMPVOSJGB-UHFFFAOYSA-N 0 0 416.547 2.895 50 0 HFAARN COc1cccc(NC(=O)CCN(C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000095983638 568675896 /nfs/dbraw/zinc/67/58/96/568675896.db2.gz HCWXICFVDHSFIL-SFHVURJKSA-N 0 0 420.307 2.945 50 0 HFAARN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000095983680 568675958 /nfs/dbraw/zinc/67/59/58/568675958.db2.gz GSMWWSUHAQGDKV-SFHVURJKSA-N 0 0 421.559 2.777 50 0 HFAARN CCCS(=O)(=O)NC1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000095987173 568676607 /nfs/dbraw/zinc/67/66/07/568676607.db2.gz DFCDSYXNSLDRPN-UHFFFAOYSA-N 0 0 416.971 2.838 50 0 HFAARN O=C(C[C@H]1COCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1)c1cccs1 ZINC000095996958 568679191 /nfs/dbraw/zinc/67/91/91/568679191.db2.gz MAZWMKPSSNMNSW-AWEZNQCLSA-N 0 0 419.480 2.517 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C)[nH]c1=O ZINC000095998504 568679595 /nfs/dbraw/zinc/67/95/95/568679595.db2.gz FSFDHSKBTWUTPK-FQEVSTJZSA-N 0 0 406.486 2.759 50 0 HFAARN Cc1nc([C@H]2CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CCO2)no1 ZINC000096000744 568681137 /nfs/dbraw/zinc/68/11/37/568681137.db2.gz MGTUNHLTGNSWLD-CQSZACIVSA-N 0 0 407.352 2.796 50 0 HFAARN CN(Cc1ccncc1)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000096005138 568682375 /nfs/dbraw/zinc/68/23/75/568682375.db2.gz AUWLYNRPXPIETI-SFHVURJKSA-N 0 0 407.923 2.801 50 0 HFAARN COc1cc(NC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc(OC)c1 ZINC000096006805 568682894 /nfs/dbraw/zinc/68/28/94/568682894.db2.gz AREXFJOYIIWHKQ-AWEZNQCLSA-N 0 0 401.427 2.781 50 0 HFAARN O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc(I)c(F)c1 ZINC000096008246 568683531 /nfs/dbraw/zinc/68/35/31/568683531.db2.gz GMWRQONEYRHDJW-CQSZACIVSA-N 0 0 410.186 2.576 50 0 HFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096024966 568686198 /nfs/dbraw/zinc/68/61/98/568686198.db2.gz ARNYKBNQMFDYPE-UHFFFAOYSA-N 0 0 410.879 2.738 50 0 HFAARN CCCCNC(=O)CN1c2ncnn2[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C1C ZINC000021351066 568687804 /nfs/dbraw/zinc/68/78/04/568687804.db2.gz OCWCBRUWHCLNIB-LJQANCHMSA-N 0 0 415.469 2.580 50 0 HFAARN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2c3ccccc3nc3c2CCCCC3)CC1 ZINC000021354112 568688053 /nfs/dbraw/zinc/68/80/53/568688053.db2.gz FDINTKMXDXJMCE-MRXNPFEDSA-N 0 0 423.513 2.740 50 0 HFAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1cc(-c2ccco2)on1 ZINC000096096616 568689006 /nfs/dbraw/zinc/68/90/06/568689006.db2.gz IJSKWDPCQLDAMD-UHFFFAOYSA-N 0 0 411.443 2.786 50 0 HFAARN O=C([C@H]1CCCN(c2nccnc2Oc2ccccc2)C1)N1CCC2(CC1)OCCO2 ZINC000021362514 568690308 /nfs/dbraw/zinc/69/03/08/568690308.db2.gz SDHZKVMOKNACCK-SFHVURJKSA-N 0 0 424.501 2.851 50 0 biogenic HFAARN O=C(NCc1ccncc1)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000096102163 568691380 /nfs/dbraw/zinc/69/13/80/568691380.db2.gz RJARBJLBXIDGTI-CQSZACIVSA-N 0 0 404.396 2.676 50 0 HFAARN CSc1ccc([C@@H](O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000096103147 568691673 /nfs/dbraw/zinc/69/16/73/568691673.db2.gz VUGBVLQGUVASSH-IBGZPJMESA-N 0 0 420.556 2.656 50 0 HFAARN COC(=O)c1nc(NC(=O)[C@@H](NC(=O)c2cccnc2)c2ccccc2)sc1C ZINC000096113757 568693352 /nfs/dbraw/zinc/69/33/52/568693352.db2.gz SVUYVUCGCXNQHU-INIZCTEOSA-N 0 0 410.455 2.743 50 0 biogenic HFAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2cccnc2)cs1 ZINC000096117631 568696908 /nfs/dbraw/zinc/69/69/08/568696908.db2.gz XFPGREHFTRPNKL-HNNXBMFYSA-N 0 0 407.455 2.675 50 0 HFAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)[nH]n1 ZINC000096118263 568697755 /nfs/dbraw/zinc/69/77/55/568697755.db2.gz YMGUPAHWSRDVGN-INIZCTEOSA-N 0 0 406.494 2.987 50 0 HFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000096118877 568698498 /nfs/dbraw/zinc/69/84/98/568698498.db2.gz FVQAOOUYJDXXAN-QGZVFWFLSA-N 0 0 403.438 2.554 50 0 HFAARN COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000018520485 568698833 /nfs/dbraw/zinc/69/88/33/568698833.db2.gz XSWFWJIFYOEDAL-ZBFHGGJFSA-N 0 0 400.431 2.772 50 0 HFAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2ncsc2c1 ZINC000096120526 568699494 /nfs/dbraw/zinc/69/94/94/568699494.db2.gz URZOZPQCAXHCBZ-UHFFFAOYSA-N 0 0 416.528 2.522 50 0 HFAARN O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccccn2)cc1C1CC1 ZINC000096121729 568700000 /nfs/dbraw/zinc/70/00/00/568700000.db2.gz XTRPXRULWOBYDR-UHFFFAOYSA-N 0 0 403.442 2.547 50 0 HFAARN Cc1ccc(NC(=O)C[C@@]2(C(N)=O)CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000096191219 568703359 /nfs/dbraw/zinc/70/33/59/568703359.db2.gz HINMCHWULVYYIP-QHCPKHFHSA-N 0 0 407.470 2.684 50 0 HFAARN CCCc1nc(C)sc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000096232107 568707859 /nfs/dbraw/zinc/70/78/59/568707859.db2.gz WPKHXWMCRJGYKA-SFHVURJKSA-N 0 0 415.515 2.528 50 0 HFAARN Cc1cc(O)cc(=O)n1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096232247 568708173 /nfs/dbraw/zinc/70/81/73/568708173.db2.gz RVZQNYLXUBJHOE-UHFFFAOYSA-N 0 0 417.509 2.796 50 0 HFAARN C[C@@H](CNC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1)c1ccccc1 ZINC000021527145 568709699 /nfs/dbraw/zinc/70/96/99/568709699.db2.gz IABPTBYNCREUJR-UWJYYQICSA-N 0 0 405.498 2.553 50 0 HFAARN COC(=O)C1=C(C)N(C(C)C)C(=O)[C@@]1(NC(=O)CCc1ccccc1)C(F)(F)F ZINC000012402645 568710180 /nfs/dbraw/zinc/71/01/80/568710180.db2.gz OGZFIFVFVGMKSN-LJQANCHMSA-N 0 0 412.408 2.734 50 0 HFAARN Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)c(C)c1 ZINC000021531303 568711031 /nfs/dbraw/zinc/71/10/31/568711031.db2.gz NBDBBJQXPITIMC-UHFFFAOYSA-N 0 0 405.495 2.834 50 0 HFAARN Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000021532176 568711242 /nfs/dbraw/zinc/71/12/42/568711242.db2.gz GJSLYSNOCQIYSV-UHFFFAOYSA-N 0 0 415.515 2.837 50 0 HFAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532150 568711338 /nfs/dbraw/zinc/71/13/38/568711338.db2.gz ALXUOWDGNOFJGA-UHFFFAOYSA-N 0 0 401.488 2.529 50 0 HFAARN CC1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)nc3cc(=O)[nH]n32)CC1 ZINC000021537261 568712520 /nfs/dbraw/zinc/71/25/20/568712520.db2.gz AHMKSHBVSUXDMP-UHFFFAOYSA-N 0 0 401.467 2.574 50 0 HFAARN Cc1ccc(-n2ccn3c(CCC(=O)NCc4cccs4)nnc3c2=O)cc1C ZINC000021540471 568713767 /nfs/dbraw/zinc/71/37/67/568713767.db2.gz QNAOPBRCCZZGDP-UHFFFAOYSA-N 0 0 407.499 2.808 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCc1ccccc1Cl ZINC000012438428 568722962 /nfs/dbraw/zinc/72/29/62/568722962.db2.gz LNCSPSGBYKTBQL-OAQYLSRUSA-N 0 0 413.949 2.822 50 0 HFAARN C[C@@H](NC(=O)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1 ZINC000012440224 568723220 /nfs/dbraw/zinc/72/32/20/568723220.db2.gz NRCDNRGFSWFQPC-OAHLLOKOSA-N 0 0 405.433 2.989 50 0 HFAARN CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)Nc1ccc(N3CCOCC3)cc1)C2 ZINC000096310512 568724448 /nfs/dbraw/zinc/72/44/48/568724448.db2.gz XEDNRBIVRORRNQ-KRWDZBQOSA-N 0 0 409.534 2.903 50 0 HFAARN CCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000021634058 568725182 /nfs/dbraw/zinc/72/51/82/568725182.db2.gz XZUWWHLHLMFZMW-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)NCc1cccs1 ZINC000021640560 568727772 /nfs/dbraw/zinc/72/77/72/568727772.db2.gz CLNHJWNYMZPFCD-UHFFFAOYSA-N 0 0 411.462 2.720 50 0 HFAARN COc1ccc(NC(=O)N2CCN(Cc3ccc4nccnc4c3)CC2)c(OC)c1 ZINC000021648946 568728660 /nfs/dbraw/zinc/72/86/60/568728660.db2.gz QJXMIGUTMJEGNR-UHFFFAOYSA-N 0 0 407.474 2.997 50 0 HFAARN C[C@H](Cc1ccco1)NC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021649801 568728709 /nfs/dbraw/zinc/72/87/09/568728709.db2.gz SVTMQRIHAQFSOF-QGZVFWFLSA-N 0 0 417.465 2.552 50 0 HFAARN CCc1nc(Cn2c3ccc(S(=O)(=O)N4CCCC[C@@H]4CC)cc3oc2=O)no1 ZINC000096322101 568729747 /nfs/dbraw/zinc/72/97/47/568729747.db2.gz BYMQWOBEWLXWOL-ZDUSSCGKSA-N 0 0 420.491 2.541 50 0 HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(OCC)cc3)cc2)c1N ZINC000021652139 568730050 /nfs/dbraw/zinc/73/00/50/568730050.db2.gz SRULDMJTORUNME-UHFFFAOYSA-N 0 0 408.458 2.960 50 0 HFAARN COC(=O)c1cnn(-c2ccc(C(=O)Nc3ncc(-c4ccccc4)n3C)cc2)c1N ZINC000021652371 568730322 /nfs/dbraw/zinc/73/03/22/568730322.db2.gz ATDCHGQKHMJDIX-UHFFFAOYSA-N 0 0 416.441 2.894 50 0 HFAARN C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)N(C)C(=O)OC(C)(C)C ZINC000241124392 568730772 /nfs/dbraw/zinc/73/07/72/568730772.db2.gz JHXXUKZCBOOOLP-OWSLCNJRSA-N 0 0 417.554 2.986 50 0 HFAARN O=S(=O)(NCc1nc(-c2ccccc2F)cs1)c1cnn([C@H]2CCOC2)c1 ZINC000241644732 568731482 /nfs/dbraw/zinc/73/14/82/568731482.db2.gz PSYNOPMRPBHUOB-LBPRGKRZSA-N 0 0 408.480 2.586 50 0 HFAARN O=S(=O)(NCc1nc(-c2ccccc2F)cs1)c1cnn([C@@H]2CCOC2)c1 ZINC000241644731 568731595 /nfs/dbraw/zinc/73/15/95/568731595.db2.gz PSYNOPMRPBHUOB-GFCCVEGCSA-N 0 0 408.480 2.586 50 0 HFAARN COc1cccc(NC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1 ZINC000096324650 568733865 /nfs/dbraw/zinc/73/38/65/568733865.db2.gz UYOWSHWMNGROQH-UHFFFAOYSA-N 0 0 405.458 2.971 50 0 HFAARN COc1cccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)c1 ZINC000096324596 568734029 /nfs/dbraw/zinc/73/40/29/568734029.db2.gz VOMPHGLZSSTGSF-UHFFFAOYSA-N 0 0 419.485 2.649 50 0 HFAARN COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)c1 ZINC000096324775 568734528 /nfs/dbraw/zinc/73/45/28/568734528.db2.gz YGOXXVVMUGAKJD-SFHVURJKSA-N 0 0 419.485 2.649 50 0 HFAARN COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4c(C)ccc(F)c4c(=O)c3C2)cc1 ZINC000096326934 568734940 /nfs/dbraw/zinc/73/49/40/568734940.db2.gz FMJLAEBGIWJVRI-UHFFFAOYSA-N 0 0 423.444 2.759 50 0 HFAARN COc1cccc([C@@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)c1OC ZINC000021659163 568735146 /nfs/dbraw/zinc/73/51/46/568735146.db2.gz HROFWCXYUZAYNW-SFHVURJKSA-N 0 0 418.453 2.560 50 0 HFAARN CCNS(=O)(=O)c1cc(-c2cc(C(=O)NC3CCCCCC3)[nH]n2)ccc1OC ZINC000021659949 568735491 /nfs/dbraw/zinc/73/54/91/568735491.db2.gz FZRNIUWBFATTQZ-UHFFFAOYSA-N 0 0 420.535 2.836 50 0 HFAARN COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc1OC ZINC000096332442 568736263 /nfs/dbraw/zinc/73/62/63/568736263.db2.gz MYUDGNLVJKWYEX-QGZVFWFLSA-N 0 0 410.474 2.785 50 0 HFAARN O=C(Cn1nc2c(cc1=O)CCCC2)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000096344574 568737334 /nfs/dbraw/zinc/73/73/34/568737334.db2.gz XMQSYDBLHAULEH-UHFFFAOYSA-N 0 0 410.449 2.809 50 0 HFAARN Cc1cc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)ccc1Br ZINC000096344743 568737467 /nfs/dbraw/zinc/73/74/67/568737467.db2.gz UQLODOXJBNHCAI-OAHLLOKOSA-N 0 0 402.248 2.837 50 0 HFAARN CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000888965 568739810 /nfs/dbraw/zinc/73/98/10/568739810.db2.gz UNAMACROJYJXDS-UHFFFAOYSA-N 0 0 421.828 2.836 50 0 HFAARN C[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)C1 ZINC000096372486 568739845 /nfs/dbraw/zinc/73/98/45/568739845.db2.gz IKURCGNOBRGXPX-MRXNPFEDSA-N 0 0 403.486 2.959 50 0 HFAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3sc(-n4cccc4)nc3C)C2)cc1 ZINC000096378108 568740994 /nfs/dbraw/zinc/74/09/94/568740994.db2.gz SJVJRYIYCIPCCQ-UHFFFAOYSA-N 0 0 417.512 2.549 50 0 HFAARN CCCN1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)CC1 ZINC000096379708 568741399 /nfs/dbraw/zinc/74/13/99/568741399.db2.gz IXEFLJSKXIGGNM-UHFFFAOYSA-N 0 0 407.540 2.665 50 0 HFAARN COc1ccc(-n2c3ncccc3n(CC(=O)N(C)Cc3ccccc3)c2=O)cc1 ZINC000096385659 568742009 /nfs/dbraw/zinc/74/20/09/568742009.db2.gz HIVHVHTWOJAFIA-UHFFFAOYSA-N 0 0 402.454 2.854 50 0 HFAARN COc1cc(NC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc(OC)c1 ZINC000096385772 568742124 /nfs/dbraw/zinc/74/21/24/568742124.db2.gz HXCSRKBCDXKVOE-UHFFFAOYSA-N 0 0 422.416 2.982 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COc1ccccc1N1CCN([C@H](CNC(=O)c2ccco2)c2cccnc2)CC1 ZINC000058134049 568890044 /nfs/dbraw/zinc/89/00/44/568890044.db2.gz XBLQAZLPKSLIOW-HXUWFJFHSA-N 0 0 406.486 2.977 50 0 HFAARN CCn1c(SCC(=O)N2CCN(CC(F)F)CC2)nnc1-c1ccccc1C ZINC000058137094 568890282 /nfs/dbraw/zinc/89/02/82/568890282.db2.gz PIVVZMKBVXDZGO-UHFFFAOYSA-N 0 0 409.506 2.775 50 0 HFAARN CCOC(=O)c1c2c(sc1NC(=O)CN1C(=O)N[C@@](C)(CC(C)C)C1=O)CCC2 ZINC000003377517 568891534 /nfs/dbraw/zinc/89/15/34/568891534.db2.gz WNDOQHRQLGSNEU-FQEVSTJZSA-N 0 0 421.519 2.709 50 0 HFAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCc1nnc(-c2ccccc2)o1 ZINC000003380889 568892552 /nfs/dbraw/zinc/89/25/52/568892552.db2.gz XBWJRGIHZPPCJJ-UHFFFAOYSA-N 0 0 423.450 2.912 50 0 HFAARN CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000003408125 568897389 /nfs/dbraw/zinc/89/73/89/568897389.db2.gz CVLNQUHPALMWOD-JOCHJYFZSA-N 0 0 410.426 2.984 50 0 HFAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCc1c[nH]c3ccccc13)C2=O ZINC000003410439 568897864 /nfs/dbraw/zinc/89/78/64/568897864.db2.gz PJFOYKGGNUSIBH-WNSKOXEYSA-N 0 0 410.518 2.963 50 0 HFAARN COc1ccc(-c2coc3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc32)cc1 ZINC000217642416 568901475 /nfs/dbraw/zinc/90/14/75/568901475.db2.gz XKGSFHXPVDGLPL-OAHLLOKOSA-N 0 0 415.467 2.791 50 0 biogenic HFAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003434098 568902261 /nfs/dbraw/zinc/90/22/61/568902261.db2.gz XMGIYTPMLUVOQH-UHFFFAOYSA-N 0 0 402.472 2.575 50 0 HFAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000003459705 568906883 /nfs/dbraw/zinc/90/68/83/568906883.db2.gz WAZFPBDGIIFHEO-FDDCHVKYSA-N 0 0 409.486 2.934 50 0 HFAARN CC(C)C[C@@H](C(=O)NCCc1cn2ccccc2n1)N1C(=O)c2ccccc2C1=O ZINC000012666900 568907218 /nfs/dbraw/zinc/90/72/18/568907218.db2.gz OJEIYHBQJRQWQT-IBGZPJMESA-N 0 0 404.470 2.704 50 0 HFAARN O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000031033755 568909939 /nfs/dbraw/zinc/90/99/39/568909939.db2.gz FFWWPHKQALHJMR-OAHLLOKOSA-N 0 0 423.391 2.574 50 0 HFAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1nc(-c2ccsc2)no1 ZINC000263615265 568910353 /nfs/dbraw/zinc/91/03/53/568910353.db2.gz BNDMVLOYFZXVND-UHFFFAOYSA-N 0 0 423.429 2.954 50 0 HFAARN Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 ZINC000263616265 568910788 /nfs/dbraw/zinc/91/07/88/568910788.db2.gz HVFRSLJSRQOMMX-NRFANRHFSA-N 0 0 422.529 2.938 50 0 HFAARN COc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c(C)c1 ZINC000263616605 568910954 /nfs/dbraw/zinc/91/09/54/568910954.db2.gz JRLBIODKFYJDQZ-UHFFFAOYSA-N 0 0 405.502 2.888 50 0 HFAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5)CC4)c3CO2)cc1 ZINC000263617953 568911663 /nfs/dbraw/zinc/91/16/63/568911663.db2.gz QPRGBQHPNNLIBV-OAQYLSRUSA-N 0 0 419.485 2.521 50 0 HFAARN COc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c(OC)c1 ZINC000263618484 568911804 /nfs/dbraw/zinc/91/18/04/568911804.db2.gz UALSTGGDAMDUOX-LJQANCHMSA-N 0 0 412.421 2.636 50 0 HFAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)NC(=O)NC(C)(C)C ZINC000003519591 568911934 /nfs/dbraw/zinc/91/19/34/568911934.db2.gz JVHWXVQVBVKXAU-UHFFFAOYSA-N 0 0 420.897 2.983 50 0 HFAARN COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccc(OC)c(OC)c2)CNC3=O)cc1 ZINC000263618682 568912010 /nfs/dbraw/zinc/91/20/10/568912010.db2.gz UYSIXGTZVFPCIV-OAQYLSRUSA-N 0 0 408.458 2.608 50 0 HFAARN CSc1ncccc1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000003531816 568913209 /nfs/dbraw/zinc/91/32/09/568913209.db2.gz WTQIFRZYZUINCP-UHFFFAOYSA-N 0 0 406.261 2.931 50 0 HFAARN Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000003543002 568913998 /nfs/dbraw/zinc/91/39/98/568913998.db2.gz ULEAOZWBTUCRHN-INIZCTEOSA-N 0 0 413.426 2.559 50 0 HFAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)OCc1ccccc1 ZINC000003549469 568914543 /nfs/dbraw/zinc/91/45/43/568914543.db2.gz YESINSCXVBMIRO-NRFANRHFSA-N 0 0 407.470 2.864 50 0 HFAARN CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCC(F)(F)F)o1 ZINC000004127372 568915311 /nfs/dbraw/zinc/91/53/11/568915311.db2.gz OKXHJRKDYZGAEA-OLZOCXBDSA-N 0 0 405.369 2.984 50 0 HFAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C2=COCCO2)sc2c1CCCC2 ZINC000003575931 568916750 /nfs/dbraw/zinc/91/67/50/568916750.db2.gz VGOGUHHCTVSTJV-NSHDSACASA-N 0 0 409.460 2.562 50 0 HFAARN COc1ccc(Br)cc1CN(C)CC(=O)NC(=O)NCc1ccco1 ZINC000003586174 568917565 /nfs/dbraw/zinc/91/75/65/568917565.db2.gz TYLQVMNRLFAHGQ-UHFFFAOYSA-N 0 0 410.268 2.509 50 0 HFAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000003593347 568918308 /nfs/dbraw/zinc/91/83/08/568918308.db2.gz QBBNQIRERHEAMS-SFHVURJKSA-N 0 0 402.248 2.855 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 ZINC000004165912 568918973 /nfs/dbraw/zinc/91/89/73/568918973.db2.gz NSTYBOSTFWHIGN-UHFFFAOYSA-N 0 0 409.833 2.883 50 0 HFAARN CS(=O)(=O)c1ccccc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000025829314 568922348 /nfs/dbraw/zinc/92/23/48/568922348.db2.gz OQKHRVUOGWSCFA-UHFFFAOYSA-N 0 0 421.828 2.999 50 0 HFAARN Cn1c(CNS(=O)(=O)c2ccc(F)cc2)nnc1SCc1cccc(F)c1 ZINC000001388306 568923070 /nfs/dbraw/zinc/92/30/70/568923070.db2.gz GGIYPWKDQYVQBB-UHFFFAOYSA-N 0 0 410.471 2.864 50 0 HFAARN CC(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000001399163 568926041 /nfs/dbraw/zinc/92/60/41/568926041.db2.gz NJDZIOFHTQRDDB-UHFFFAOYSA-N 0 0 411.886 2.948 50 0 HFAARN COc1cc(OC)c(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl ZINC000031557991 568928039 /nfs/dbraw/zinc/92/80/39/568928039.db2.gz XHQFIESGCGCXMB-INIZCTEOSA-N 0 0 421.881 2.670 50 0 HFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)c1ccc(F)cc1 ZINC000031753970 568930314 /nfs/dbraw/zinc/93/03/14/568930314.db2.gz MOEVVJNRQYNSEE-CQSZACIVSA-N 0 0 423.535 2.520 50 0 HFAARN CCc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)s1 ZINC000031752064 568930404 /nfs/dbraw/zinc/93/04/04/568930404.db2.gz VTFSLTFPFDSWFF-UHFFFAOYSA-N 0 0 412.558 2.701 50 0 HFAARN COc1ccc(CNC(=O)c2nc(-c3ccc(Cn4ccnc4)cc3)no2)cc1OC ZINC000031810902 568932520 /nfs/dbraw/zinc/93/25/20/568932520.db2.gz YIBKURXDXQJPIM-UHFFFAOYSA-N 0 0 419.441 2.929 50 0 HFAARN CC(=O)c1ccc(C(F)(F)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1C ZINC000084005285 568932747 /nfs/dbraw/zinc/93/27/47/568932747.db2.gz SOSLAUAESJDLHQ-UHFFFAOYSA-N 0 0 402.401 2.756 50 0 HFAARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000004015544 568933572 /nfs/dbraw/zinc/93/35/72/568933572.db2.gz YVUJCUORFXXBOZ-IRXDYDNUSA-N 0 0 408.495 2.532 50 0 HFAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)Nc2nnc(C3CC3)s2)c1C ZINC000012748585 568935084 /nfs/dbraw/zinc/93/50/84/568935084.db2.gz IOTPGLVZIRMFGJ-CYBMUJFWSA-N 0 0 408.549 2.955 50 0 HFAARN COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)CN1CCOCC1 ZINC000016648867 568935432 /nfs/dbraw/zinc/93/54/32/568935432.db2.gz MLSUPGYVFUNJAS-UHFFFAOYSA-N 0 0 417.893 2.801 50 0 HFAARN CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1S(=O)(=O)N(C)C ZINC000012749364 568937045 /nfs/dbraw/zinc/93/70/45/568937045.db2.gz SFJYVAZRVXKRJA-KRWDZBQOSA-N 0 0 406.529 2.991 50 0 HFAARN COc1ccc(C(=O)NCCn2cc(SCC(N)=O)c3ccccc32)cc1OC ZINC000004061024 568937187 /nfs/dbraw/zinc/93/71/87/568937187.db2.gz IITMMRNYWVFJGW-UHFFFAOYSA-N 0 0 413.499 2.666 50 0 HFAARN COc1ccccc1CNC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 ZINC000004073858 568938034 /nfs/dbraw/zinc/93/80/34/568938034.db2.gz QEGSXTPQGLVUED-LHSJRXKWSA-N 0 0 414.483 2.599 50 0 biogenic HFAARN CC(C)[C@@H](C(=O)N1CCCC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004083364 568939299 /nfs/dbraw/zinc/93/92/99/568939299.db2.gz UKKHCHPPOXFENX-MBSDFSHPSA-N 0 0 408.502 2.850 50 0 biogenic HFAARN CC(C)C[C@@H](C(=O)NC1CC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004082820 568939359 /nfs/dbraw/zinc/93/93/59/568939359.db2.gz GIBHYPWRHVQSIL-MBSDFSHPSA-N 0 0 408.502 2.897 50 0 biogenic HFAARN CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000084140016 568940229 /nfs/dbraw/zinc/94/02/29/568940229.db2.gz YHAWPMLREANCEI-UHFFFAOYSA-N 0 0 415.563 2.625 50 0 HFAARN COc1ccc(OC)c(NC(=O)Cn2nc(C)c(I)c2C)c1 ZINC000001432175 568941091 /nfs/dbraw/zinc/94/10/91/568941091.db2.gz XTCHWIZBYJHNSA-UHFFFAOYSA-N 0 0 415.231 2.760 50 0 HFAARN Cc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc32)cc1S(N)(=O)=O ZINC000001432772 568941419 /nfs/dbraw/zinc/94/14/19/568941419.db2.gz CADFAJODGGOSFF-UHFFFAOYSA-N 0 0 416.466 2.962 50 0 HFAARN COC(=O)c1cc(Br)cn1S(=O)(=O)c1cc(Cl)ccc1OC ZINC000004089754 568941709 /nfs/dbraw/zinc/94/17/09/568941709.db2.gz CXGXHJAHIOLDCQ-UHFFFAOYSA-N 0 0 408.657 2.936 50 0 HFAARN Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c12 ZINC000012752905 568941763 /nfs/dbraw/zinc/94/17/63/568941763.db2.gz YNRNDLPOGHXHRL-LBPRGKRZSA-N 0 0 423.425 2.999 50 0 HFAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCNC(=O)c1ccsc1 ZINC000012758584 568943394 /nfs/dbraw/zinc/94/33/94/568943394.db2.gz BLTKICZQRMXVFD-UHFFFAOYSA-N 0 0 404.517 2.605 50 0 HFAARN Cc1ccc2c(CN3CCN(C)C[C@@H]3CNC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000084208420 568944677 /nfs/dbraw/zinc/94/46/77/568944677.db2.gz OOKLFXWVTSLFRJ-KRWDZBQOSA-N 0 0 401.507 2.742 50 0 HFAARN 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O=C(CN1CCN(C(=O)COc2ccc3oc4ccccc4c3c2)CC1)N1CCCC1 ZINC000012910940 569021501 /nfs/dbraw/zinc/02/15/01/569021501.db2.gz IOAKCUOPAHWQTI-UHFFFAOYSA-N 0 0 421.497 2.731 50 0 HFAARN COc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)c(OC)c1 ZINC000012914111 569022057 /nfs/dbraw/zinc/02/20/57/569022057.db2.gz IIDCTYGOMVWUQF-UHFFFAOYSA-N 0 0 417.421 2.949 50 0 HFAARN CNC(=O)c1ccc(CN(C)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012914191 569022154 /nfs/dbraw/zinc/02/21/54/569022154.db2.gz VMYNZKCKAHPBND-CQSZACIVSA-N 0 0 414.893 2.946 50 0 HFAARN COc1cccc(N2C[C@@H](C(=O)NCc3cccc(NC(=O)C(C)C)c3)CC2=O)c1 ZINC000012913144 569022253 /nfs/dbraw/zinc/02/22/53/569022253.db2.gz CMBXSLYWGHVTKO-KRWDZBQOSA-N 0 0 409.486 2.959 50 0 HFAARN CN(CC(=O)NC1CC1)C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000012916539 569022326 /nfs/dbraw/zinc/02/23/26/569022326.db2.gz LSVSFONBEHHALE-UHFFFAOYSA-N 0 0 420.966 2.866 50 0 HFAARN COC(=O)[C@H]1CCCN1C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012919542 569022876 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0 HFAARN CSc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cnccn3)C2=O)cc1 ZINC000097986176 569050075 /nfs/dbraw/zinc/05/00/75/569050075.db2.gz ZAAZAKXCVJPUTF-XNTDXEJSSA-N 0 0 400.485 2.665 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)NC(=O)N[C@H]1C ZINC000013011815 569050508 /nfs/dbraw/zinc/05/05/08/569050508.db2.gz RUUMAIWNOWNIQF-LURJTMIESA-N 0 0 422.652 2.717 50 0 HFAARN Cc1ccc2nc3c(c(C(=O)NCc4ccc(S(N)(=O)=O)cc4)c2c1)CCCC3 ZINC000013016862 569050919 /nfs/dbraw/zinc/05/09/19/569050919.db2.gz BKILGAWXMHZXHL-UHFFFAOYSA-N 0 0 409.511 2.999 50 0 HFAARN Cc1cccc2c(=O)n(CCC(=O)NC(C)(C)c3ccc4c(c3)OCCO4)cnc12 ZINC000064314657 569052972 /nfs/dbraw/zinc/05/29/72/569052972.db2.gz XDAYAUDLECYRTG-UHFFFAOYSA-N 0 0 407.470 2.918 50 0 HFAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)C12CCCCC2 ZINC000049543794 569053149 /nfs/dbraw/zinc/05/31/49/569053149.db2.gz ZZQHTMSZVCPXIA-PXNSSMCTSA-N 0 0 400.519 2.871 50 0 biogenic HFAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000001802320 569053411 /nfs/dbraw/zinc/05/34/11/569053411.db2.gz PAIAVSASUYFCNX-HNNXBMFYSA-N 0 0 404.454 2.888 50 0 HFAARN CCOc1ccccc1C(=O)NCCCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000089270084 569053840 /nfs/dbraw/zinc/05/38/40/569053840.db2.gz ZGYYSXYEPLYOEX-VGOFRKELSA-N 0 0 404.507 2.833 50 0 HFAARN CCOc1ccccc1C(=O)NCCCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)OC ZINC000089270088 569053845 /nfs/dbraw/zinc/05/38/45/569053845.db2.gz ZGYYSXYEPLYOEX-HTAPYJJXSA-N 0 0 404.507 2.833 50 0 HFAARN CCS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000089274651 569053896 /nfs/dbraw/zinc/05/38/96/569053896.db2.gz QWWHABQXXMTWNZ-SNVBAGLBSA-N 0 0 401.410 2.966 50 0 HFAARN O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000239347102 569054253 /nfs/dbraw/zinc/05/42/53/569054253.db2.gz MCOZDZJHNKOQRG-XETNVZRVSA-N 0 0 410.514 2.670 50 0 HFAARN O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000239347100 569054273 /nfs/dbraw/zinc/05/42/73/569054273.db2.gz MCOZDZJHNKOQRG-APNJTCTJSA-N 0 0 410.514 2.670 50 0 HFAARN Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)c(C)n1C ZINC000244773822 569055109 /nfs/dbraw/zinc/05/51/09/569055109.db2.gz PHEPLMJHYJKRAX-WGSAOQKQSA-N 0 0 401.551 2.790 50 0 HFAARN CC(C)C(=O)N[C@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000026841508 569057169 /nfs/dbraw/zinc/05/71/69/569057169.db2.gz VVWFFYJTIKTSGY-HWWQOWPSSA-N 0 0 406.741 2.736 50 0 biogenic HFAARN CCCc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)[nH]n1 ZINC000248080876 569057559 /nfs/dbraw/zinc/05/75/59/569057559.db2.gz VHJQWTQUIYOTAA-IYARVYRRSA-N 0 0 411.506 2.753 50 0 HFAARN CCOC(=O)C1=C(CN(C)c2ccc(Br)cc2F)NC(=O)N[C@H]1C ZINC000064349682 569057751 /nfs/dbraw/zinc/05/77/51/569057751.db2.gz CRUQANPCMNVSRS-VIFPVBQESA-N 0 0 400.248 2.543 50 0 HFAARN COc1ccccc1/C=C/C=c1/sc2nc(=O)c(Cc3ccc(C)cc3)nn2c1=O ZINC000006476586 569058448 /nfs/dbraw/zinc/05/84/48/569058448.db2.gz IFKBEQINBGBMPR-WTYNHFEKSA-N 0 0 417.490 2.632 50 0 HFAARN COCCCS(=O)(=O)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000089410367 569059565 /nfs/dbraw/zinc/05/95/65/569059565.db2.gz QKYDUHYUAJTCGU-UHFFFAOYSA-N 0 0 408.545 2.539 50 0 HFAARN CCOC(=O)/C=C/c1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000026912323 569060127 /nfs/dbraw/zinc/06/01/27/569060127.db2.gz NXHPCIJONRHKMV-DHZHZOJOSA-N 0 0 417.506 2.754 50 0 HFAARN COc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1N1CCNC1=O ZINC000089459541 569060624 /nfs/dbraw/zinc/06/06/24/569060624.db2.gz AZFLYYZYYOOXKA-AWEZNQCLSA-N 0 0 416.428 2.512 50 0 HFAARN CCN(CC)c1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 ZINC000252613730 569060845 /nfs/dbraw/zinc/06/08/45/569060845.db2.gz JDLRUURZZKKCFN-UHFFFAOYSA-N 0 0 424.553 2.601 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c3cc(OC)ccc3[nH]c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000008964551 569061265 /nfs/dbraw/zinc/06/12/65/569061265.db2.gz UPJWFCPUGNEZHJ-KRWDZBQOSA-N 0 0 422.437 2.803 50 0 biogenic HFAARN CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000006508805 569061906 /nfs/dbraw/zinc/06/19/06/569061906.db2.gz MUOACNHECQZEHF-LLVKDONJSA-N 0 0 417.487 2.561 50 0 HFAARN Cc1c(Cl)cccc1NC(=O)Cn1nc2c(N(C)C)nc3ccccc3n2c1=O ZINC000064449122 569062524 /nfs/dbraw/zinc/06/25/24/569062524.db2.gz QIZQGDWOZIDZJZ-UHFFFAOYSA-N 0 0 410.865 2.711 50 0 HFAARN Cc1c(NC(=O)CSC(=S)N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000006520309 569062886 /nfs/dbraw/zinc/06/28/86/569062886.db2.gz VSEXDUICCRVJAL-UHFFFAOYSA-N 0 0 404.561 2.927 50 0 HFAARN O=C(NCc1ccccc1F)[C@H]1Cc2ccccc2N2CCN(c3cnccn3)C[C@@H]12 ZINC000035870788 569063999 /nfs/dbraw/zinc/06/39/99/569063999.db2.gz LLZCMOHYJVYWDS-UGKGYDQZSA-N 0 0 417.488 2.800 50 0 HFAARN O=C(NCc1ccccc1F)[C@@H]1Cc2ccccc2N2CCN(c3cnccn3)C[C@@H]12 ZINC000035870791 569064048 /nfs/dbraw/zinc/06/40/48/569064048.db2.gz LLZCMOHYJVYWDS-KNQAVFIVSA-N 0 0 417.488 2.800 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000006539916 569064531 /nfs/dbraw/zinc/06/45/31/569064531.db2.gz ZGCCKJQAVJAXBE-UHFFFAOYSA-N 0 0 404.488 2.585 50 0 HFAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(Nc3ccccc3)s2)CC1 ZINC000006559689 569065709 /nfs/dbraw/zinc/06/57/09/569065709.db2.gz CSDKXDPEZHAJPA-UHFFFAOYSA-N 0 0 407.521 2.675 50 0 HFAARN Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1CCC1=CCCCC1 ZINC000006552594 569065325 /nfs/dbraw/zinc/06/53/25/569065325.db2.gz CGWIZUKOBNSXHD-UHFFFAOYSA-N 0 0 423.517 2.625 50 0 HFAARN Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)on1 ZINC000022245909 569065916 /nfs/dbraw/zinc/06/59/16/569065916.db2.gz HOEQONUVNYFYKF-UHFFFAOYSA-N 0 0 414.325 2.560 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000007971480 569066003 /nfs/dbraw/zinc/06/60/03/569066003.db2.gz GKGVDYNGDVSXCW-GOSISDBHSA-N 0 0 422.547 2.585 50 0 HFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2cccc(OC)c2)CC3)n1C ZINC000064567043 569067217 /nfs/dbraw/zinc/06/72/17/569067217.db2.gz CNVSOYAFHCTTKU-UHFFFAOYSA-N 0 0 412.519 2.535 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)cc1C ZINC000064580556 569068545 /nfs/dbraw/zinc/06/85/45/569068545.db2.gz MBUINYNDMQITQT-UHFFFAOYSA-N 0 0 417.531 2.863 50 0 HFAARN COCC(=O)N(C)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(F)cc1 ZINC000035962319 569068885 /nfs/dbraw/zinc/06/88/85/569068885.db2.gz WCMRXEYDKSQRBL-FQEVSTJZSA-N 0 0 413.449 2.617 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000006600395 569069337 /nfs/dbraw/zinc/06/93/37/569069337.db2.gz YERMINGBJZVTTE-QFIPXVFZSA-N 0 0 411.458 2.767 50 0 HFAARN Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3cccc(=O)[nH]3)csc2C1 ZINC000426374433 569072576 /nfs/dbraw/zinc/07/25/76/569072576.db2.gz VATORFYNIJHWFN-UHFFFAOYSA-N 0 0 412.515 2.984 50 0 HFAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC(=O)OC)c1 ZINC000006609720 569072658 /nfs/dbraw/zinc/07/26/58/569072658.db2.gz LJGBSLRETMIWGM-UHFFFAOYSA-N 0 0 418.515 2.975 50 0 HFAARN CCc1noc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 ZINC000426415269 569072838 /nfs/dbraw/zinc/07/28/38/569072838.db2.gz FQIZGDXNQGFQMG-UHFFFAOYSA-N 0 0 401.492 2.787 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)NC(C)(C)C(=O)NC)csc3C2)nc1 ZINC000426434419 569072963 /nfs/dbraw/zinc/07/29/63/569072963.db2.gz GEAXUEBPEZPKKE-UHFFFAOYSA-N 0 0 400.548 2.518 50 0 HFAARN CC[C@H](NC(=O)CCc1nc(-c2ccccc2OC)no1)c1cn2cccnc2n1 ZINC000426633875 569073760 /nfs/dbraw/zinc/07/37/60/569073760.db2.gz KWOSDZBCKBPWAQ-HNNXBMFYSA-N 0 0 406.446 2.988 50 0 HFAARN Cc1nnc(CCC(=O)N2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)[nH]1 ZINC000426693886 569073881 /nfs/dbraw/zinc/07/38/81/569073881.db2.gz UZGAQUIXZDGLFV-QFIPXVFZSA-N 0 0 401.555 2.857 50 0 HFAARN CCNC(=O)N1CCN(c2nc(CC)nc3c2cnn3-c2ccccc2Cl)CC1 ZINC000035990696 569074552 /nfs/dbraw/zinc/07/45/52/569074552.db2.gz HEFVBRCVLUQHGU-UHFFFAOYSA-N 0 0 413.913 2.883 50 0 HFAARN CCc1nc2c(cnn2-c2ccc(OC)cc2)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000035992310 569074676 /nfs/dbraw/zinc/07/46/76/569074676.db2.gz CMGNZBWMLQHCJD-UHFFFAOYSA-N 0 0 408.506 2.691 50 0 HFAARN COCC(=O)NCCNc1nc(C2CC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000036003043 569075479 /nfs/dbraw/zinc/07/54/79/569075479.db2.gz BUTRFXBNZHPYMX-UHFFFAOYSA-N 0 0 400.870 2.521 50 0 HFAARN COCCN(C(=O)c1ccc(F)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036003431 569075570 /nfs/dbraw/zinc/07/55/70/569075570.db2.gz HRQRHBAABWHOIY-CQSZACIVSA-N 0 0 404.438 2.917 50 0 HFAARN CCNC(=O)N1CCCN(c2nc(CC)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000036006266 569076015 /nfs/dbraw/zinc/07/60/15/569076015.db2.gz YQMSFOFOYIHZQH-UHFFFAOYSA-N 0 0 407.522 2.928 50 0 HFAARN COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000006628084 569076067 /nfs/dbraw/zinc/07/60/67/569076067.db2.gz AJKFBLFMELCPIW-UHFFFAOYSA-N 0 0 408.501 2.574 50 0 HFAARN CC[C@@H](C)N1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024497 569077559 /nfs/dbraw/zinc/07/75/59/569077559.db2.gz JUYSGSSGCXUYSD-MJGOQNOKSA-N 0 0 407.580 2.731 50 0 HFAARN COc1cccc(C(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3C2CC2)c1 ZINC000036026497 569079718 /nfs/dbraw/zinc/07/97/18/569079718.db2.gz MWKKBFRCFGJFNH-JOCHJYFZSA-N 0 0 419.525 2.833 50 0 HFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000006650032 569080550 /nfs/dbraw/zinc/08/05/50/569080550.db2.gz JETIHFRZEXZDPM-QGZVFWFLSA-N 0 0 418.544 2.625 50 0 HFAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000006648803 569081275 /nfs/dbraw/zinc/08/12/75/569081275.db2.gz PHRJANWXOAYZIA-HXUWFJFHSA-N 0 0 400.818 2.761 50 0 HFAARN CCN(C)C(=O)[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044578 569081844 /nfs/dbraw/zinc/08/18/44/569081844.db2.gz CGNLFWPOFLWEPX-QZTJIDSGSA-N 0 0 418.534 2.923 50 0 HFAARN CCC(=O)N1C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2OC)C1 ZINC000036055085 569083396 /nfs/dbraw/zinc/08/33/96/569083396.db2.gz LDGJMQDAOSMXGC-QZTJIDSGSA-N 0 0 410.470 2.692 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N1CCCCC1 ZINC000006658935 569083631 /nfs/dbraw/zinc/08/36/31/569083631.db2.gz GRMYGMIHYWMOSW-UKXGOWJFSA-N 0 0 415.559 2.800 50 0 HFAARN COc1cccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036052451 569083796 /nfs/dbraw/zinc/08/37/96/569083796.db2.gz MWZJKOIFACGKAT-YADHBBJMSA-N 0 0 408.498 2.718 50 0 HFAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCn1ccnc1 ZINC000006659682 569083970 /nfs/dbraw/zinc/08/39/70/569083970.db2.gz NHNOEZQKIINXME-UHFFFAOYSA-N 0 0 401.850 2.717 50 0 HFAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCN3CCCC3=O)c12 ZINC000006660041 569084135 /nfs/dbraw/zinc/08/41/35/569084135.db2.gz QOEQKZPVTHBEJF-UHFFFAOYSA-N 0 0 400.475 2.561 50 0 HFAARN COc1ccc([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)NCC(C)C)c(OC)c1 ZINC000036059658 569084908 /nfs/dbraw/zinc/08/49/08/569084908.db2.gz VUDCMTJKBFDELV-MSOLQXFVSA-N 0 0 400.475 2.925 50 0 HFAARN COc1ccc(OC)c([C@@H]2CN(C(=O)NC(C)C)C[C@H]2C(=O)N2CCCCC2)c1 ZINC000036060585 569085332 /nfs/dbraw/zinc/08/53/32/569085332.db2.gz XQCTYGJUVWRAOK-RBUKOAKNSA-N 0 0 403.523 2.850 50 0 HFAARN 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/nfs/dbraw/zinc/17/22/05/569172205.db2.gz AFKZELHEHQWFKP-UHFFFAOYSA-N 0 0 416.481 2.975 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4F)ccn3n2)cc1 ZINC000169775865 569172241 /nfs/dbraw/zinc/17/22/41/569172241.db2.gz OBEDSGHBJAXCFH-UHFFFAOYSA-N 0 0 406.417 2.741 50 0 HFAARN COc1ccc(CCC(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)cc1 ZINC000169776093 569172541 /nfs/dbraw/zinc/17/25/41/569172541.db2.gz YUFDHBCCAFZFHQ-UHFFFAOYSA-N 0 0 418.457 2.914 50 0 HFAARN Cc1cc(-n2nnc(C(=O)N3CCC4(CC3)OCCO4)c2-c2ccncc2)ccc1F ZINC000065083235 569172778 /nfs/dbraw/zinc/17/27/78/569172778.db2.gz XAZFBZOZMUPVSE-UHFFFAOYSA-N 0 0 423.448 2.756 50 0 biogenic HFAARN CCn1nccc1C(=O)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169777633 569173229 /nfs/dbraw/zinc/17/32/29/569173229.db2.gz VFZIKQOZLITCKJ-INIZCTEOSA-N 0 0 418.461 2.689 50 0 HFAARN Cc1noc(-c2cn([C@H]3CCCN(C(=O)c4cccc(Br)c4)C3)nn2)n1 ZINC000169777705 569173235 /nfs/dbraw/zinc/17/32/35/569173235.db2.gz LKMGRKGWHKAWRE-AWEZNQCLSA-N 0 0 417.267 2.876 50 0 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/nfs/dbraw/zinc/30/09/88/569300988.db2.gz VKRGMLBPRSVHIM-UHFFFAOYSA-N 0 0 400.475 2.812 50 0 HFAARN COc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(NC(C)=O)cc2)c1 ZINC000007705434 569301504 /nfs/dbraw/zinc/30/15/04/569301504.db2.gz FJJMFPRCHFXBHC-UHFFFAOYSA-N 0 0 401.488 2.843 50 0 HFAARN O=C(CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3)cc21)NCC1CC1 ZINC000037512825 569302514 /nfs/dbraw/zinc/30/25/14/569302514.db2.gz DYPQHXFNWQLWMY-UHFFFAOYSA-N 0 0 422.481 2.980 50 0 HFAARN CCNC(=O)CCCN1C(=O)COc2ccc(C(=O)COc3ccccc3C)cc21 ZINC000037512130 569302538 /nfs/dbraw/zinc/30/25/38/569302538.db2.gz ZLFPVVGVCJWSNT-UHFFFAOYSA-N 0 0 410.470 2.898 50 0 HFAARN O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000037523490 569303487 /nfs/dbraw/zinc/30/34/87/569303487.db2.gz NRWLVOIRPSXTOS-GOSISDBHSA-N 0 0 403.548 2.508 50 0 HFAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N2CCOCC2)CC1 ZINC000037524659 569303765 /nfs/dbraw/zinc/30/37/65/569303765.db2.gz RBXLOISQQGHDHF-UHFFFAOYSA-N 0 0 407.514 2.866 50 0 HFAARN COc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCOCC3)CC2)c1 ZINC000037524660 569303767 /nfs/dbraw/zinc/30/37/67/569303767.db2.gz QDKWVLWAUIXZPL-UHFFFAOYSA-N 0 0 423.513 2.566 50 0 HFAARN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cn2cccnc2n1 ZINC000065936187 569304327 /nfs/dbraw/zinc/30/43/27/569304327.db2.gz MADZYPOTRARFKB-UHFFFAOYSA-N 0 0 401.264 2.928 50 0 HFAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 ZINC000007737277 569304822 /nfs/dbraw/zinc/30/48/22/569304822.db2.gz GFZQAUPPCZRQCV-CQSZACIVSA-N 0 0 412.467 2.852 50 0 HFAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCN1C(=O)c2ccccc2C1=O ZINC000007738276 569305129 /nfs/dbraw/zinc/30/51/29/569305129.db2.gz JQRBQTINJAGUFA-UHFFFAOYSA-N 0 0 403.316 2.852 50 0 HFAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000007738389 569305165 /nfs/dbraw/zinc/30/51/65/569305165.db2.gz LBBSFHULXPNAGV-UHFFFAOYSA-N 0 0 407.430 2.938 50 0 HFAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)CNC(=O)c2cccc(C)c2)c1C ZINC000007777273 569308567 /nfs/dbraw/zinc/30/85/67/569308567.db2.gz BZAAEKBJEVELOA-INIZCTEOSA-N 0 0 400.475 2.777 50 0 HFAARN CCCCN1C(=O)C[C@H](C(=O)NCc2nnc3ccccn32)[C@H]1c1ccc(OC)cc1 ZINC000007779261 569309084 /nfs/dbraw/zinc/30/90/84/569309084.db2.gz UJULIAZZFGLVOW-PGRDOPGGSA-N 0 0 421.501 2.744 50 0 HFAARN CCCCN1C(=O)C[C@@H](C(=O)NCc2nnc3ccccn32)[C@@H]1c1ccc(OC)cc1 ZINC000007779260 569309175 /nfs/dbraw/zinc/30/91/75/569309175.db2.gz UJULIAZZFGLVOW-GCJKJVERSA-N 0 0 421.501 2.744 50 0 HFAARN C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(Cl)c(Cl)c1 ZINC000007786025 569310421 /nfs/dbraw/zinc/31/04/21/569310421.db2.gz XEDFKBUOJOEEON-SNVBAGLBSA-N 0 0 400.287 2.668 50 0 HFAARN NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000007798851 569311219 /nfs/dbraw/zinc/31/12/19/569311219.db2.gz OEPLTEDASHHZCM-UHFFFAOYSA-N 0 0 400.489 2.566 50 0 HFAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCc1cccs1 ZINC000007823015 569313059 /nfs/dbraw/zinc/31/30/59/569313059.db2.gz RGNSVZKZCFFVBF-UHFFFAOYSA-N 0 0 419.506 2.902 50 0 HFAARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)NC1CC1 ZINC000007830560 569313548 /nfs/dbraw/zinc/31/35/48/569313548.db2.gz CJHWACJUAFYXTC-GFCCVEGCSA-N 0 0 406.529 2.957 50 0 HFAARN CCCNC(=O)[C@@H](C)OC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007838801 569313982 /nfs/dbraw/zinc/31/39/82/569313982.db2.gz ZEFLADGNCIGFPX-MRXNPFEDSA-N 0 0 418.515 2.892 50 0 HFAARN Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000007854874 569314759 /nfs/dbraw/zinc/31/47/59/569314759.db2.gz RCYUMKOOMPHZQF-INIZCTEOSA-N 0 0 418.295 2.733 50 0 HFAARN COc1cc(-c2nnc3sc(=Cc4sccc4C)c(=O)n32)cc(OC)c1OC ZINC000252666066 569319019 /nfs/dbraw/zinc/31/90/19/569319019.db2.gz AKGHWISMPWUHLP-UHFFFAOYSA-N 0 0 415.496 2.761 50 0 HFAARN CCCN1c2ccccc2C(=c2sc3nc(-c4ccccc4C)nn3c2=O)C1=O ZINC000252679302 569319841 /nfs/dbraw/zinc/31/98/41/569319841.db2.gz KNPUSIFSEMWPIQ-UHFFFAOYSA-N 0 0 402.479 2.801 50 0 HFAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1 ZINC000003009273 569322709 /nfs/dbraw/zinc/32/27/09/569322709.db2.gz WDVNYTHVIUXNCW-UHFFFAOYSA-N 0 0 401.419 2.701 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 ZINC000003009763 569322711 /nfs/dbraw/zinc/32/27/11/569322711.db2.gz HXLFBBXWXAZXSI-UHFFFAOYSA-N 0 0 406.489 2.531 50 0 HFAARN COc1ccc(-c2c3c(cn2-c2cc(OC)ccc2OC)n(C)c(=O)n(C)c3=O)cc1 ZINC000002244871 569323861 /nfs/dbraw/zinc/32/38/61/569323861.db2.gz VRCGBBDOIJGWCX-UHFFFAOYSA-N 0 0 421.453 2.721 50 0 HFAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000002269307 569325113 /nfs/dbraw/zinc/32/51/13/569325113.db2.gz ZQPQZKLCWYQNGJ-UHFFFAOYSA-N 0 0 405.447 2.653 50 0 HFAARN COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)ccc1O ZINC000006641843 569357091 /nfs/dbraw/zinc/35/70/91/569357091.db2.gz USKDJLYEQAFBEQ-LEOXJPRUSA-N 0 0 414.502 2.978 50 0 biogenic HFAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000016889987 569357193 /nfs/dbraw/zinc/35/71/93/569357193.db2.gz AZCNJEFLSOQGST-DVQSZNCRSA-N 0 0 404.503 2.641 50 0 HFAARN C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc32)n1 ZINC000143911816 569359514 /nfs/dbraw/zinc/35/95/14/569359514.db2.gz OHUHVTCQTUDPIJ-JYCIKRDWSA-N 0 0 412.519 2.911 50 0 in-vitro HFAARN CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCSCC1 ZINC000253394593 569365095 /nfs/dbraw/zinc/36/50/95/569365095.db2.gz BHSLUAPOXOGGEU-MRXNPFEDSA-N 0 0 403.504 2.523 50 0 HFAARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 ZINC000253410917 569366564 /nfs/dbraw/zinc/36/65/64/569366564.db2.gz NYCIXQRVEYXLSB-HFJQGTKSSA-N 0 0 413.518 2.779 50 0 biogenic HFAARN NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@H]1c1cccs1 ZINC000253418609 569367595 /nfs/dbraw/zinc/36/75/95/569367595.db2.gz FLAHSDZWGBYGQQ-GJZGRUSLSA-N 0 0 405.907 2.739 50 0 HFAARN C[C@@H]1[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)CC(=O)N1Cc1ccccc1 ZINC000253431308 569369682 /nfs/dbraw/zinc/36/96/82/569369682.db2.gz PEQMJYUIJFBMBN-CJNGLKHVSA-N 0 0 407.392 2.942 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CCc2[nH]c3ccccc3c2C1 ZINC000055036362 569376297 /nfs/dbraw/zinc/37/62/97/569376297.db2.gz UJRKMYCBDXXMQI-JOCHJYFZSA-N 0 0 420.488 2.582 50 0 HFAARN CCOC(=O)Cc1csc(NC(=O)c2ccnc(OCC3CCOCC3)c2)n1 ZINC000253471170 569381225 /nfs/dbraw/zinc/38/12/25/569381225.db2.gz BJDYMDCCCDUXAN-UHFFFAOYSA-N 0 0 405.476 2.701 50 0 HFAARN COC(=O)[C@](NC(=O)c1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002356222 569385325 /nfs/dbraw/zinc/38/53/25/569385325.db2.gz NNTIVMMUUKZIBA-KRWDZBQOSA-N 0 0 414.767 2.931 50 0 HFAARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000252510161 569387789 /nfs/dbraw/zinc/38/77/89/569387789.db2.gz ZCQZIARRXBVAET-KRWDZBQOSA-N 0 0 408.502 2.883 50 0 HFAARN CCOC(=O)C1CCN(CN2c3ccccc3C3(O[C@H]4CCCC[C@@H]4O3)C2=O)CC1 ZINC000055236053 569395433 /nfs/dbraw/zinc/39/54/33/569395433.db2.gz XACRSKPWLCDKLR-PMACEKPBSA-N 0 0 414.502 2.777 50 0 HFAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000002409959 569396585 /nfs/dbraw/zinc/39/65/85/569396585.db2.gz IPGVHRKDDPHFCC-VXGBXAGGSA-N 0 0 422.528 2.635 50 0 HFAARN CCOc1ccc(-c2c(C)sc3ncn(CC(=O)NCCOC)c(=O)c32)cc1 ZINC000011990476 569399263 /nfs/dbraw/zinc/39/92/63/569399263.db2.gz FFUFRLXEABQHCC-UHFFFAOYSA-N 0 0 401.488 2.595 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000012364417 569400454 /nfs/dbraw/zinc/40/04/54/569400454.db2.gz QEQRDSHYYZAIFL-UHFFFAOYSA-N 0 0 420.878 2.869 50 0 HFAARN CCCNS(=O)(=O)c1ccc(OC)c(-c2nnc3c4ccccc4c(C)nn32)c1 ZINC000002449460 569402403 /nfs/dbraw/zinc/40/24/03/569402403.db2.gz JCMBUDRJDSUURY-UHFFFAOYSA-N 0 0 411.487 2.950 50 0 HFAARN C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1cc2ccccc2o1 ZINC000007945728 569402836 /nfs/dbraw/zinc/40/28/36/569402836.db2.gz QGZNRWIIEJDYFC-CQSZACIVSA-N 0 0 405.410 2.601 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)N[C@H](C(=O)Nc1nccs1)C(C)C)CC2 ZINC000012895090 569404710 /nfs/dbraw/zinc/40/47/10/569404710.db2.gz FABKYVJQZNCWGR-KRWDZBQOSA-N 0 0 418.519 2.891 50 0 biogenic 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409.833 2.651 50 0 HFAARN CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(C)c3)C2)c1 ZINC000079112377 569428273 /nfs/dbraw/zinc/42/82/73/569428273.db2.gz VTCDKEQIGIOGMH-LJQANCHMSA-N 0 0 421.544 2.867 50 0 HFAARN O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCc2ccccc2C1 ZINC000019797434 569430320 /nfs/dbraw/zinc/43/03/20/569430320.db2.gz TZPAORHPJGWDEC-UHFFFAOYSA-N 0 0 404.875 2.605 50 0 HFAARN COCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)cc2)n1 ZINC000079474338 569431393 /nfs/dbraw/zinc/43/13/93/569431393.db2.gz ZKIRZWMUXURJPQ-KRWDZBQOSA-N 0 0 421.505 2.880 50 0 HFAARN CC1(C)C(=O)NCCN1CC(=O)NCCn1ccc2ccc(Br)cc21 ZINC000079492001 569432511 /nfs/dbraw/zinc/43/25/11/569432511.db2.gz HGMQPBWLDOBKDO-UHFFFAOYSA-N 0 0 407.312 2.571 50 0 HFAARN O=c1cc(CO)oc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O ZINC000079492704 569432548 /nfs/dbraw/zinc/43/25/48/569432548.db2.gz JIPQYCFGKUMBLP-UHFFFAOYSA-N 0 0 406.482 2.745 50 0 HFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 ZINC000079494947 569432703 /nfs/dbraw/zinc/43/27/03/569432703.db2.gz PIOXUFQWHRMBOX-UHFFFAOYSA-N 0 0 406.531 2.529 50 0 HFAARN COc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1 ZINC000019879808 569433049 /nfs/dbraw/zinc/43/30/49/569433049.db2.gz HPLZXCRXCCUTOE-NHCUHLMSSA-N 0 0 416.543 2.714 50 0 HFAARN CC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000008490257 571056423 /nfs/dbraw/zinc/05/64/23/571056423.db2.gz PSTYXCBPDVAWPK-GJZGRUSLSA-N 0 0 416.499 2.939 50 0 HFAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1=O ZINC000008504039 571062885 /nfs/dbraw/zinc/06/28/85/571062885.db2.gz APRINNRHHOVISW-CQSZACIVSA-N 0 0 406.895 2.873 50 0 HFAARN CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287652 571065873 /nfs/dbraw/zinc/06/58/73/571065873.db2.gz CLFDJXRYGZNTFB-FQEVSTJZSA-N 0 0 401.507 2.988 50 0 HFAARN Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3cccc(F)c3)C3=C2C(=O)OC3)c1 ZINC000067288844 571066643 /nfs/dbraw/zinc/06/66/43/571066643.db2.gz AGWDKANHFGAGAA-HXUWFJFHSA-N 0 0 409.417 2.958 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)cc1C ZINC000067300423 571073578 /nfs/dbraw/zinc/07/35/78/571073578.db2.gz ORXCWZTZUIXYQT-UHFFFAOYSA-N 0 0 405.498 2.687 50 0 HFAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCCC1=CCCCC1 ZINC000067316997 571075749 /nfs/dbraw/zinc/07/57/49/571075749.db2.gz UBADUGUSVUQAQB-UHFFFAOYSA-N 0 0 401.536 2.850 50 0 HFAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1CCO ZINC000067316767 571075846 /nfs/dbraw/zinc/07/58/46/571075846.db2.gz JIMMUQYPSIZHGV-UHFFFAOYSA-N 0 0 417.387 2.810 50 0 HFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000067322844 571078362 /nfs/dbraw/zinc/07/83/62/571078362.db2.gz BZERUDIQCZPHJZ-UHFFFAOYSA-N 0 0 423.429 2.605 50 0 HFAARN CS(=O)(=O)N1CC[C@H](C(=O)NCCc2ccccc2)Oc2ccc(Cl)cc21 ZINC000038832974 571085417 /nfs/dbraw/zinc/08/54/17/571085417.db2.gz OHZAGIJJZPGTTP-GOSISDBHSA-N 0 0 408.907 2.616 50 0 HFAARN COc1ccccc1CNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038848859 571086769 /nfs/dbraw/zinc/08/67/69/571086769.db2.gz ZMOFCPOSVSBZQL-SFHVURJKSA-N 0 0 424.906 2.582 50 0 HFAARN COc1cccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000008598994 571088770 /nfs/dbraw/zinc/08/87/70/571088770.db2.gz SJBRVHCWMXCDOQ-LJQANCHMSA-N 0 0 406.479 2.694 50 0 HFAARN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCc1cc(OC)c(OC)c(OC)c1 ZINC000008607948 571092969 /nfs/dbraw/zinc/09/29/69/571092969.db2.gz RDXIIFNYDGSCCF-GOSISDBHSA-N 0 0 412.486 2.739 50 0 HFAARN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cccc(F)c1 ZINC000008611735 571094763 /nfs/dbraw/zinc/09/47/63/571094763.db2.gz UVPYQWNRYBLUNK-UHFFFAOYSA-N 0 0 416.478 2.626 50 0 HFAARN CCCN(CC1CC1)C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000008634906 571097209 /nfs/dbraw/zinc/09/72/09/571097209.db2.gz UPZNNMQAOCJHIW-LJQANCHMSA-N 0 0 422.323 2.865 50 0 HFAARN Cc1c(O)ccc2c(COC(=O)CCS(=O)(=O)c3ccccc3)cc(=O)oc12 ZINC000008638422 571097469 /nfs/dbraw/zinc/09/74/69/571097469.db2.gz AQIJOBBHDVODBS-UHFFFAOYSA-N 0 0 402.424 2.714 50 0 HFAARN COc1cccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 ZINC000008704708 571103152 /nfs/dbraw/zinc/10/31/52/571103152.db2.gz SVBUXHIAUVKELX-UHFFFAOYSA-N 0 0 421.544 2.996 50 0 HFAARN CC(=O)Nc1nc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)cs1 ZINC000008707862 571104123 /nfs/dbraw/zinc/10/41/23/571104123.db2.gz DRKNMUZIFSGIHB-UHFFFAOYSA-N 0 0 416.532 2.811 50 0 HFAARN COc1ccc(CCNC(=O)CSCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000008751107 571112192 /nfs/dbraw/zinc/11/21/92/571112192.db2.gz IOSXAJCXLXCICC-UHFFFAOYSA-N 0 0 400.500 2.928 50 0 HFAARN COc1ccc(-c2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)cc1 ZINC000008768890 571116374 /nfs/dbraw/zinc/11/63/74/571116374.db2.gz GYXCWTCPQDPKPX-UHFFFAOYSA-N 0 0 411.483 2.939 50 0 HFAARN CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)CC1 ZINC000008811685 571121107 /nfs/dbraw/zinc/12/11/07/571121107.db2.gz LZBDGHVTGVKVNU-KRWDZBQOSA-N 0 0 413.971 2.645 50 0 HFAARN COc1ccc(N2CCn3c2nn(Cc2cccc(C(F)(F)F)c2)c(=O)c3=O)cc1 ZINC000008849263 571126362 /nfs/dbraw/zinc/12/63/62/571126362.db2.gz 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O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000070933391 571282793 /nfs/dbraw/zinc/28/27/93/571282793.db2.gz PXFICYNVVSNKFZ-UHFFFAOYSA-N 0 0 417.575 2.815 50 0 HFAARN COc1ccc(CNC(=O)CCc2nnc3ccc(NCc4ccco4)nn32)cc1 ZINC000009744656 571283783 /nfs/dbraw/zinc/28/37/83/571283783.db2.gz CITFESACMYNUOB-UHFFFAOYSA-N 0 0 406.446 2.587 50 0 HFAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000009762538 571284610 /nfs/dbraw/zinc/28/46/10/571284610.db2.gz HPZGNLDRYXWECY-ITICKHJUSA-N 0 0 420.490 2.504 50 0 HFAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nn1 ZINC000009787042 571285379 /nfs/dbraw/zinc/28/53/79/571285379.db2.gz NSMKNFNBNBEAOQ-UHFFFAOYSA-N 0 0 411.439 2.918 50 0 HFAARN COc1cc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc(OC)c1 ZINC000009801078 571285783 /nfs/dbraw/zinc/28/57/83/571285783.db2.gz VDIYIJZJKUWQOZ-UHFFFAOYSA-N 0 0 403.439 2.546 50 0 HFAARN COc1cn(CC(=O)NCc2ccc(C)cc2)c(CSc2nccc(C)n2)cc1=O ZINC000009815320 571286114 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Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2)n1 ZINC000009898634 571289682 /nfs/dbraw/zinc/28/96/82/571289682.db2.gz WRGPLVFPLYQSSY-UHFFFAOYSA-N 0 0 412.515 2.669 50 0 HFAARN COc1cc(OC)cc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1 ZINC000071279188 571290287 /nfs/dbraw/zinc/29/02/87/571290287.db2.gz SFJGOGUGQWCCRS-CJNGLKHVSA-N 0 0 405.476 2.692 50 0 HFAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1cccc(Cl)c1 ZINC000071280106 571290530 /nfs/dbraw/zinc/29/05/30/571290530.db2.gz FNSOTSNJGIUZEA-UHFFFAOYSA-N 0 0 404.873 2.627 50 0 HFAARN COc1cc(OC)c(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1Cl ZINC000009943694 571291143 /nfs/dbraw/zinc/29/11/43/571291143.db2.gz TVSXDEOTAQVYHR-KRWDZBQOSA-N 0 0 407.806 2.679 50 0 HFAARN Cn1c(SCC(=O)NC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000009944382 571291313 /nfs/dbraw/zinc/29/13/13/571291313.db2.gz IKYCHIBGAXFMAA-LLVKDONJSA-N 0 0 407.565 2.982 50 0 HFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009957673 571291671 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CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000003425461 132266033 /nfs/dbraw/zinc/26/60/33/132266033.db2.gz PRLNEOKFRHZUQA-UHFFFAOYSA-N 0 0 415.497 2.711 50 0 HFAARN CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1 ZINC000003524933 132266628 /nfs/dbraw/zinc/26/66/28/132266628.db2.gz BEEIMHGHGDIENB-KRWDZBQOSA-N 0 0 411.477 2.926 50 0 HFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000003550348 132266841 /nfs/dbraw/zinc/26/68/41/132266841.db2.gz UFWWZJUUXNHORJ-UHFFFAOYSA-N 0 0 416.466 2.893 50 0 HFAARN Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc2n1 ZINC000004297148 132274422 /nfs/dbraw/zinc/27/44/22/132274422.db2.gz OPNLHSCTOQDDNN-OAHLLOKOSA-N 0 0 412.519 2.697 50 0 HFAARN COc1ccc(-c2nnn(CC(=O)Nc3ccc(N4CCCCC4)cc3)n2)cc1OC ZINC000004501234 132277752 /nfs/dbraw/zinc/27/77/52/132277752.db2.gz LVJNNJVWONAKGU-UHFFFAOYSA-N 0 0 422.489 2.986 50 0 HFAARN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O ZINC000004687189 132283030 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COc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000005005654 132298293 /nfs/dbraw/zinc/29/82/93/132298293.db2.gz DITFVEPSVKZFHD-UHFFFAOYSA-N 0 0 416.499 2.797 50 0 HFAARN Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000005274333 132304689 /nfs/dbraw/zinc/30/46/89/132304689.db2.gz PUXLBDJEKFGDNT-OAHLLOKOSA-N 0 0 406.442 2.846 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000005578908 132307021 /nfs/dbraw/zinc/30/70/21/132307021.db2.gz GJQIWONPWDEAIC-UHFFFAOYSA-N 0 0 411.414 2.612 50 0 HFAARN C[C@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000006275583 132310029 /nfs/dbraw/zinc/31/00/29/132310029.db2.gz CFAMTXDCIBXKQN-OAHLLOKOSA-N 0 0 419.460 2.872 50 0 HFAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 ZINC000006414443 132310911 /nfs/dbraw/zinc/31/09/11/132310911.db2.gz RURVSMAMKSAZQD-UHFFFAOYSA-N 0 0 407.710 2.948 50 0 HFAARN COc1cc(NS(=O)(=O)c2cc3c(cc2C)N(C)CCO3)cc(OC)c1OC ZINC000006779670 132315790 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/nfs/dbraw/zinc/45/85/59/521458559.db2.gz UHXSTKLXXPCBRM-UHFFFAOYSA-N 0 0 414.502 2.937 50 0 HFAARN CC[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000098003446 521916211 /nfs/dbraw/zinc/91/62/11/521916211.db2.gz QAZJRWIRMCLMCA-PILJQMSFSA-N 0 0 422.503 2.911 50 0 HFAARN COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000032916062 521934351 /nfs/dbraw/zinc/93/43/51/521934351.db2.gz UPMSDJUVBDQUGI-TZIYXEQSSA-N 0 0 402.472 2.735 50 0 HFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)NCCn2c(C)nc3ccccc32)c1 ZINC000032951052 521980720 /nfs/dbraw/zinc/98/07/20/521980720.db2.gz MGYPUISQCQQTAT-UHFFFAOYSA-N 0 0 410.430 2.740 50 0 HFAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000032894193 522078163 /nfs/dbraw/zinc/07/81/63/522078163.db2.gz ABLLNZYNKBTGGD-UHFFFAOYSA-N 0 0 421.453 2.698 50 0 HFAARN COC(=O)c1ccc(OCc2noc(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1 ZINC000032124251 522148627 /nfs/dbraw/zinc/14/86/27/522148627.db2.gz XWDNVKDYBYGMMY-UHFFFAOYSA-N 0 0 420.425 2.889 50 0 biogenic HFAARN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000019795900 522188563 /nfs/dbraw/zinc/18/85/63/522188563.db2.gz ZBYNKLKMIUEUJU-FQEVSTJZSA-N 0 0 418.559 2.972 50 0 HFAARN COC(=O)c1ccc2nc(C)cc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000032606368 522189385 /nfs/dbraw/zinc/18/93/85/522189385.db2.gz UMYNMWZNLJDURW-UHFFFAOYSA-N 0 0 403.394 2.565 50 0 HFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC000040266524 522597909 /nfs/dbraw/zinc/59/79/09/522597909.db2.gz RVZPOCPMTXFMQK-UHFFFAOYSA-N 0 0 421.428 2.850 50 0 HFAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000032795814 522628179 /nfs/dbraw/zinc/62/81/79/522628179.db2.gz IIBXOBANWWVBJX-JTQLQIEISA-N 0 0 417.281 2.608 50 0 HFAARN COc1cc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc(OC)c1OC ZINC000032895424 522716131 /nfs/dbraw/zinc/71/61/31/522716131.db2.gz RAOQWBHEEUECCI-OAHLLOKOSA-N 0 0 402.472 2.866 50 0 HFAARN COc1cc(OC)c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1Cl ZINC000036631279 522798770 /nfs/dbraw/zinc/79/87/70/522798770.db2.gz BIBLNJROKHOWST-UHFFFAOYSA-N 0 0 409.870 2.796 50 0 HFAARN COc1cc(OC)cc(C(=O)Nc2cc(-n3cnnn3)ccc2N2CCCCC2)c1 ZINC000045961242 522856112 /nfs/dbraw/zinc/85/61/12/522856112.db2.gz YZJZRIZQGRASEX-UHFFFAOYSA-N 0 0 408.462 2.922 50 0 HFAARN COc1cc(OC)cc([C@@H](NC(=O)[C@@H]2COc3ccccc3C2)c2nccn2C)c1 ZINC000032843507 522875132 /nfs/dbraw/zinc/87/51/32/522875132.db2.gz KSHMMTQVFUDXNT-LAUBAEHRSA-N 0 0 407.470 2.894 50 0 HFAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NC3CCCCCC3)c(=O)c2cc1OC ZINC000045896439 522985094 /nfs/dbraw/zinc/98/50/94/522985094.db2.gz WFLDLRUHXHVSEH-UHFFFAOYSA-N 0 0 417.506 2.716 50 0 HFAARN CC[C@@H](O)CNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 ZINC000072447370 523006850 /nfs/dbraw/zinc/00/68/50/523006850.db2.gz UTXQLITXWXSMAL-MRXNPFEDSA-N 0 0 414.893 2.727 50 0 HFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCCO)nn1-c1ccc(F)cc1)C2 ZINC000032092277 523019071 /nfs/dbraw/zinc/01/90/71/523019071.db2.gz KVCLCUPYOFHAQJ-UHFFFAOYSA-N 0 0 411.433 2.712 50 0 HFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccc4c(c3)OCO4)nn1C)C2 ZINC000032124435 523020639 /nfs/dbraw/zinc/02/06/39/523020639.db2.gz YLXVYJIVBQDQQJ-UHFFFAOYSA-N 0 0 407.426 2.667 50 0 biogenic HFAARN COc1cc2ncn(CCC(=O)NCc3ccccc3Cl)c(=O)c2cc1OC ZINC000032071992 523071173 /nfs/dbraw/zinc/07/11/73/523071173.db2.gz DSKTVWGZRAKKBQ-UHFFFAOYSA-N 0 0 401.850 2.774 50 0 HFAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)CCc3ccccc3)cc(C3CC3)nc21 ZINC000032059645 523090746 /nfs/dbraw/zinc/09/07/46/523090746.db2.gz ARTLMAGSTBBSFL-AWEZNQCLSA-N 0 0 406.486 2.733 50 0 HFAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](c3ccc(Cl)cc3)C(C)C)cnc21 ZINC000032908435 523091239 /nfs/dbraw/zinc/09/12/39/523091239.db2.gz HZUWEFVHWZLVML-INIZCTEOSA-N 0 0 400.866 2.885 50 0 HFAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](C)CCc3ccccc3)cc(C3CC3)nc21 ZINC000032059646 523091678 /nfs/dbraw/zinc/09/16/78/523091678.db2.gz ARTLMAGSTBBSFL-CQSZACIVSA-N 0 0 406.486 2.733 50 0 HFAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCCn1nc2ccccn2c1=O ZINC000031839394 523103847 /nfs/dbraw/zinc/10/38/47/523103847.db2.gz FNQLWBPDJNFFSW-UHFFFAOYSA-N 0 0 401.517 2.696 50 0 HFAARN COC(=O)CC[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)OC ZINC000032094120 523117278 /nfs/dbraw/zinc/11/72/78/523117278.db2.gz NKQYCKUADRPMBN-UONOGXRCSA-N 0 0 405.476 2.638 50 0 HFAARN COc1ccc(-c2cc3ncn(C[C@@H](O)COC[C@@H]4CCCO4)c(=O)c3s2)cc1 ZINC000032900894 523124429 /nfs/dbraw/zinc/12/44/29/523124429.db2.gz MEKPVSPFGRCYFG-WBVHZDCISA-N 0 0 416.499 2.690 50 0 HFAARN COCc1nn2c(nnc3c2ccn(Cc2cccnc2)c3=O)c1-c1ccc(F)cc1 ZINC000040392302 523250990 /nfs/dbraw/zinc/25/09/90/523250990.db2.gz YZKWALLGBKTVFT-UHFFFAOYSA-N 0 0 416.416 2.835 50 0 HFAARN CCn1c2ccc(C(=O)NCc3ccccc3Cn3ccnc3)cc2nc(C)c1=O ZINC000032860051 523261347 /nfs/dbraw/zinc/26/13/47/523261347.db2.gz FJWZZRZZRCHODP-UHFFFAOYSA-N 0 0 401.470 2.900 50 0 HFAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)n2c3ccccc3nc21 ZINC000032581137 523290026 /nfs/dbraw/zinc/29/00/26/523290026.db2.gz GZOHNEJZPORSFV-GOSISDBHSA-N 0 0 408.458 2.998 50 0 HFAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000032908763 523359615 /nfs/dbraw/zinc/35/96/15/523359615.db2.gz PYAUWOMBIZQNQI-UHFFFAOYSA-N 0 0 418.375 2.711 50 0 HFAARN COc1ccc(C)cc1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000025485915 523805691 /nfs/dbraw/zinc/80/56/91/523805691.db2.gz BHRRPCVHDVJVTQ-KRWDZBQOSA-N 0 0 422.572 2.886 50 0 HFAARN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(C)C ZINC000032909089 523929457 /nfs/dbraw/zinc/92/94/57/523929457.db2.gz KWWNFWSAGWYIDQ-LLVKDONJSA-N 0 0 414.705 2.587 50 0 HFAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000032914493 523938197 /nfs/dbraw/zinc/93/81/97/523938197.db2.gz FJEFTCDZTHAFDY-FQEVSTJZSA-N 0 0 424.888 2.955 50 0 HFAARN COc1ccc(CCN(C)C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1OC ZINC000040162120 523938452 /nfs/dbraw/zinc/93/84/52/523938452.db2.gz ITGPPFMHQYTVLU-INIZCTEOSA-N 0 0 400.450 2.897 50 0 HFAARN COc1ccc(CCN(C)c2ccc(S(=O)(=O)NC3CCCC3)cn2)cc1OC ZINC000032869439 523941323 /nfs/dbraw/zinc/94/13/23/523941323.db2.gz KRMWNTLWQLXWJZ-UHFFFAOYSA-N 0 0 419.547 2.999 50 0 HFAARN COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cnn(C)c4)cc3C2=O)cc1 ZINC000044920377 523948091 /nfs/dbraw/zinc/94/80/91/523948091.db2.gz GFTWZGQTMKSBAL-UHFFFAOYSA-N 0 0 404.426 2.520 50 0 HFAARN CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000032843907 523960955 /nfs/dbraw/zinc/96/09/55/523960955.db2.gz BQMUDEMABYTXLS-LBPRGKRZSA-N 0 0 421.828 2.804 50 0 HFAARN CN(C)C(=O)[C@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)c2ccccc2O1 ZINC000032810592 524017383 /nfs/dbraw/zinc/01/73/83/524017383.db2.gz DWFSQROCWVPDOG-GOSISDBHSA-N 0 0 424.432 2.691 50 0 HFAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2CC(N)=O)c1 ZINC000032741923 524126173 /nfs/dbraw/zinc/12/61/73/524126173.db2.gz XCVITTVXBHKAEO-UHFFFAOYSA-N 0 0 417.441 2.748 50 0 HFAARN C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccccc2Br)C1=O ZINC000032721621 524163057 /nfs/dbraw/zinc/16/30/57/524163057.db2.gz JZASWNMUTVCKEE-BXUZGUMPSA-N 0 0 422.279 2.757 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000032093971 524231304 /nfs/dbraw/zinc/23/13/04/524231304.db2.gz AGMGSXKFEIYTGF-UHFFFAOYSA-N 0 0 403.822 2.714 50 0 HFAARN Cc1cc(C)c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000032823709 524326433 /nfs/dbraw/zinc/32/64/33/524326433.db2.gz LNVBOZCXGHGMEO-ZWKOTPCHSA-N 0 0 411.589 2.899 50 0 HFAARN Cc1cc(C)c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000032823705 524327042 /nfs/dbraw/zinc/32/70/42/524327042.db2.gz LNVBOZCXGHGMEO-QZTJIDSGSA-N 0 0 411.589 2.899 50 0 HFAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000032736631 524386908 /nfs/dbraw/zinc/38/69/08/524386908.db2.gz ZPKDFQSETSVMFM-UHFFFAOYSA-N 0 0 421.331 2.648 50 0 HFAARN Cc1cc(C)cc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 ZINC000000916594 524404663 /nfs/dbraw/zinc/40/46/63/524404663.db2.gz JMXNBVWCHMVVJM-UHFFFAOYSA-N 0 0 419.522 2.557 50 0 HFAARN Cc1cccc(COc2cccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2)c1 ZINC000032771078 524448137 /nfs/dbraw/zinc/44/81/37/524448137.db2.gz OFFASAUPHRAGHK-UHFFFAOYSA-N 0 0 402.516 2.728 50 0 HFAARN C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)N1CCc2ccccc21 ZINC000032815266 524460861 /nfs/dbraw/zinc/46/08/61/524460861.db2.gz YQVLAFVVFZGFMD-CQSZACIVSA-N 0 0 421.950 2.771 50 0 HFAARN COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000032906164 524488067 /nfs/dbraw/zinc/48/80/67/524488067.db2.gz ONFYKXKOJQNCAR-UHFFFAOYSA-N 0 0 420.535 2.712 50 0 HFAARN Cc1ccc(CNC(=O)c2nc(Cn3nc(-c4ccc(C)cc4)ccc3=O)no2)cc1 ZINC000033292412 524567301 /nfs/dbraw/zinc/56/73/01/524567301.db2.gz CXZOYYHHYGKYPZ-UHFFFAOYSA-N 0 0 415.453 2.888 50 0 HFAARN COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)CC1=O ZINC000024753161 524579567 /nfs/dbraw/zinc/57/95/67/524579567.db2.gz AWZZZOIMKWAENM-AEFFLSMTSA-N 0 0 410.470 2.638 50 0 HFAARN COc1ccccc1NC(=O)Cc1noc(C(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000040308979 524604108 /nfs/dbraw/zinc/60/41/08/524604108.db2.gz WNRVTAZGXCIPEJ-UHFFFAOYSA-N 0 0 419.441 2.713 50 0 biogenic HFAARN COc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21 ZINC000020274987 524605350 /nfs/dbraw/zinc/60/53/50/524605350.db2.gz NBKJAIYVGGJHMM-UHFFFAOYSA-N 0 0 405.454 2.885 50 0 HFAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1OC(F)F ZINC000032905198 524631713 /nfs/dbraw/zinc/63/17/13/524631713.db2.gz MZVZUXPMMKLFQU-UHFFFAOYSA-N 0 0 405.357 2.601 50 0 HFAARN C[C@@H]1CCc2ccccc2N1CCNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000032934708 524730113 /nfs/dbraw/zinc/73/01/13/524730113.db2.gz WYNJARKIXCKPKD-QGZVFWFLSA-N 0 0 412.534 2.589 50 0 HFAARN C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc2c(c1)OCCO2 ZINC000032678964 524960193 /nfs/dbraw/zinc/96/01/93/524960193.db2.gz IRCBKIQYPJQZBO-AWEZNQCLSA-N 0 0 424.478 2.997 50 0 HFAARN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000032902033 525050904 /nfs/dbraw/zinc/05/09/04/525050904.db2.gz AXQLZGSGKPLNPQ-QJMZJAKPSA-N 0 0 421.494 2.529 50 0 HFAARN C[C@@H](NC(=O)CCCSc1nc2ccccc2[nH]1)c1ccc(S(N)(=O)=O)cc1 ZINC000032971731 525085227 /nfs/dbraw/zinc/08/52/27/525085227.db2.gz VOZXNNAWALWSJV-CYBMUJFWSA-N 0 0 418.544 2.960 50 0 HFAARN CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Br)cc1 ZINC000006849982 525151803 /nfs/dbraw/zinc/15/18/03/525151803.db2.gz DNZYSRWZIQCYSU-YWPYICTPSA-N 0 0 401.326 2.520 50 0 HFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)c1cccc(Cl)c1 ZINC000032736127 525155091 /nfs/dbraw/zinc/15/50/91/525155091.db2.gz RQGGXJFKCRUTDL-UHFFFAOYSA-N 0 0 423.922 2.581 50 0 HFAARN Cc1cc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)ccc1F ZINC000045970197 525167666 /nfs/dbraw/zinc/16/76/66/525167666.db2.gz HGRGDQIERMJRIK-UHFFFAOYSA-N 0 0 401.467 2.930 50 0 HFAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O ZINC000032906958 525276857 /nfs/dbraw/zinc/27/68/57/525276857.db2.gz RUYCUPPOEDKNOG-MGPUTAFESA-N 0 0 402.834 2.655 50 0 HFAARN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000032924957 525360165 /nfs/dbraw/zinc/36/01/65/525360165.db2.gz OSOCRRYLPNVCJW-MRXNPFEDSA-N 0 0 413.543 2.606 50 0 HFAARN Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000024750908 525444448 /nfs/dbraw/zinc/44/44/48/525444448.db2.gz ZSSVJNCITUYWSP-UHFFFAOYSA-N 0 0 406.486 2.928 50 0 HFAARN C[C@@H]1NC(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)=NN(c2ccccc2)C1=O ZINC000032936074 525548818 /nfs/dbraw/zinc/54/88/18/525548818.db2.gz POFNENKFNKVLDU-HNNXBMFYSA-N 0 0 414.469 2.517 50 0 HFAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000032868832 525562141 /nfs/dbraw/zinc/56/21/41/525562141.db2.gz KNCSSYYZSHDGPT-UHFFFAOYSA-N 0 0 424.526 2.894 50 0 HFAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000044686915 525624823 /nfs/dbraw/zinc/62/48/23/525624823.db2.gz DDDBQYNFVKWSHU-INIZCTEOSA-N 0 0 415.515 2.799 50 0 HFAARN COc1ccc2nc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)sc2c1 ZINC000032843232 525673551 /nfs/dbraw/zinc/67/35/51/525673551.db2.gz YFHZNJBODSYVNJ-XEZPLFJOSA-N 0 0 406.533 2.969 50 0 biogenic HFAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CC(=O)NC(C)(C)CO)cc1 ZINC000044037724 525785837 /nfs/dbraw/zinc/78/58/37/525785837.db2.gz PRZVUUZLGSTHBT-UHFFFAOYSA-N 0 0 410.923 2.879 50 0 HFAARN Cc1ccc(-c2nc(CN3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)no2)cc1 ZINC000032760103 525811441 /nfs/dbraw/zinc/81/14/41/525811441.db2.gz GLUYPCKPYWKZKL-RTBURBONSA-N 0 0 411.550 2.667 50 0 HFAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCN4CCOCC4)cc3)n2)cc1 ZINC000032579126 525869903 /nfs/dbraw/zinc/86/99/03/525869903.db2.gz UEPJOONEKHDNIQ-UHFFFAOYSA-N 0 0 422.485 2.539 50 0 HFAARN Cc1ccc(-c2noc(COC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)n2)cc1F ZINC000032898925 525880140 /nfs/dbraw/zinc/88/01/40/525880140.db2.gz QTBSXFBREBGXSI-UHFFFAOYSA-N 0 0 424.388 2.593 50 0 HFAARN Cc1c(OCC(=O)NCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000020547910 525881497 /nfs/dbraw/zinc/88/14/97/525881497.db2.gz DBFUEAQLZRCCAA-UHFFFAOYSA-N 0 0 422.481 2.596 50 0 biogenic HFAARN COc1cccc(COC[C@H](O)CSc2nnnn2-c2cc(C)ccc2OC)c1 ZINC000032750866 526054634 /nfs/dbraw/zinc/05/46/34/526054634.db2.gz JWULRNYAUCOKMK-INIZCTEOSA-N 0 0 416.503 2.658 50 0 HFAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000044515290 526094501 /nfs/dbraw/zinc/09/45/01/526094501.db2.gz YFSXMKAOGFDNRI-RXVVDRJESA-N 0 0 405.498 2.581 50 0 HFAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000044515286 526095873 /nfs/dbraw/zinc/09/58/73/526095873.db2.gz YFSXMKAOGFDNRI-GHTZIAJQSA-N 0 0 405.498 2.581 50 0 HFAARN CSc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000043941572 526108157 /nfs/dbraw/zinc/10/81/57/526108157.db2.gz HJBYVUGWKMYTON-UHFFFAOYSA-N 0 0 406.552 2.683 50 0 HFAARN CSc1nnc(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccco2)n1CC(C)C ZINC000069927432 526228361 /nfs/dbraw/zinc/22/83/61/526228361.db2.gz HIVANBWRGBGWRK-OAHLLOKOSA-N 0 0 419.551 2.603 50 0 HFAARN O=C(NCCNc1cnccn1)c1ccc(Cl)c(I)c1 ZINC000032924612 526340462 /nfs/dbraw/zinc/34/04/62/526340462.db2.gz GZJDJRSMYZOMRI-UHFFFAOYSA-N 0 0 402.623 2.577 50 0 HFAARN O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1ccnn1Cc1ccccc1 ZINC000032879910 526513802 /nfs/dbraw/zinc/51/38/02/526513802.db2.gz UGVSOZYUOLUYLE-UHFFFAOYSA-N 0 0 418.906 2.892 50 0 HFAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032962491 526524754 /nfs/dbraw/zinc/52/47/54/526524754.db2.gz LPIPNUFXJYYPRK-LZMFZKJZSA-N 0 0 403.526 2.893 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)[C@@H]2CCc3ccccc32)CC1 ZINC000032905674 526547895 /nfs/dbraw/zinc/54/78/95/526547895.db2.gz CQKBYDBATQWMKI-LJQANCHMSA-N 0 0 417.531 2.838 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)[C@H]2CCc3ccccc32)CC1 ZINC000032905675 526548217 /nfs/dbraw/zinc/54/82/17/526548217.db2.gz CQKBYDBATQWMKI-IBGZPJMESA-N 0 0 417.531 2.838 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCc2cccc(F)c2)CC1 ZINC000035537033 526548399 /nfs/dbraw/zinc/54/83/99/526548399.db2.gz LAWQOLKDDQOFBU-CYBMUJFWSA-N 0 0 423.510 2.784 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000056908048 526552976 /nfs/dbraw/zinc/55/29/76/526552976.db2.gz CLFRARAXOHIKII-UHFFFAOYSA-N 0 0 415.519 2.605 50 0 HFAARN O=C(CCc1ccc2c(c1)OCCO2)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000032848057 526597925 /nfs/dbraw/zinc/59/79/25/526597925.db2.gz PUDMSUNRDKAAMK-UHFFFAOYSA-N 0 0 406.364 2.768 50 0 HFAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019931963 526670871 /nfs/dbraw/zinc/67/08/71/526670871.db2.gz MJHVCWKCIDPPFN-UHFFFAOYSA-N 0 0 408.470 2.823 50 0 HFAARN O=C(CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O)NCc1cc(F)cc(F)c1 ZINC000041253853 526689979 /nfs/dbraw/zinc/68/99/79/526689979.db2.gz NVUBRZCCRQRFSH-UHFFFAOYSA-N 0 0 413.380 2.624 50 0 HFAARN O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000032753082 526690447 /nfs/dbraw/zinc/69/04/47/526690447.db2.gz HTCYLXQJBPQESW-IAGOWNOFSA-N 0 0 424.444 2.886 50 0 HFAARN O=C(c1ccco1)[C@@H]([C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1 ZINC000020192814 526831805 /nfs/dbraw/zinc/83/18/05/526831805.db2.gz XHSHEEBEIJNUQL-WOJBJXKFSA-N 0 0 404.894 2.890 50 0 HFAARN NC(=O)CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 ZINC000032837615 526868330 /nfs/dbraw/zinc/86/83/30/526868330.db2.gz ICRWQEXQMSSFRS-UHFFFAOYSA-N 0 0 415.906 2.921 50 0 HFAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Cl)c2ncccc12 ZINC000032909742 526876382 /nfs/dbraw/zinc/87/63/82/526876382.db2.gz ZPWYTGVPGWGFHC-UHFFFAOYSA-N 0 0 400.847 2.565 50 0 HFAARN O=C(c1cnc2ccccn2c1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032900070 526876809 /nfs/dbraw/zinc/87/68/09/526876809.db2.gz RGQSYXZNFQXVHW-UHFFFAOYSA-N 0 0 416.403 2.671 50 0 HFAARN Cc1nc(COc2ccc(C(=O)NCc3ccccc3CN3CCOCC3)cc2)no1 ZINC000032879665 526905396 /nfs/dbraw/zinc/90/53/96/526905396.db2.gz AGMNOXFMIBUDDR-UHFFFAOYSA-N 0 0 422.485 2.719 50 0 HFAARN Cn1c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000020567641 527024749 /nfs/dbraw/zinc/02/47/49/527024749.db2.gz DHNROQIXDUKMJQ-IBGZPJMESA-N 0 0 422.872 2.612 50 0 biogenic HFAARN Cn1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000020567642 527024830 /nfs/dbraw/zinc/02/48/30/527024830.db2.gz DHNROQIXDUKMJQ-LJQANCHMSA-N 0 0 422.872 2.612 50 0 biogenic HFAARN Cn1c(=O)c2cc(C(=O)NCCCN3CCOCC3)sc2c2ccc(Cl)cc21 ZINC000020237745 527025569 /nfs/dbraw/zinc/02/55/69/527025569.db2.gz VEIVNAGMXDWDHK-UHFFFAOYSA-N 0 0 419.934 2.859 50 0 HFAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21)Nc1ccccc1 ZINC000021911168 527050954 /nfs/dbraw/zinc/05/09/54/527050954.db2.gz ZRSVNJYBJWEREA-UHFFFAOYSA-N 0 0 421.438 2.544 50 0 HFAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cnnn2)cc1 ZINC000032856071 527145226 /nfs/dbraw/zinc/14/52/26/527145226.db2.gz OXLJXLBKJOMGSW-HNNXBMFYSA-N 0 0 400.851 2.757 50 0 HFAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000032778919 527158580 /nfs/dbraw/zinc/15/85/80/527158580.db2.gz FGHKCQRJDCVMMY-UHFFFAOYSA-N 0 0 408.477 2.579 50 0 HFAARN O=C(Nc1ccc(C(=O)NC2CCCCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000032101980 527161909 /nfs/dbraw/zinc/16/19/09/527161909.db2.gz ZJGTYCFEBSSPHD-SFHVURJKSA-N 0 0 407.536 2.838 50 0 HFAARN O=S(=O)(Nc1c(F)cccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032755098 527245605 /nfs/dbraw/zinc/24/56/05/527245605.db2.gz JKLMXOYTXMSACI-UHFFFAOYSA-N 0 0 416.471 2.940 50 0 HFAARN NS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000032827373 527296296 /nfs/dbraw/zinc/29/62/96/527296296.db2.gz WNIQOIPEJBDNCL-UHFFFAOYSA-N 0 0 409.895 2.986 50 0 HFAARN NS(=O)(=O)c1cccc(NC(=O)CCSc2ccc(C(F)(F)F)cn2)c1 ZINC000032871167 527321652 /nfs/dbraw/zinc/32/16/52/527321652.db2.gz SMAGHSOHGJJSOV-UHFFFAOYSA-N 0 0 405.423 2.869 50 0 HFAARN O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000032070247 527329366 /nfs/dbraw/zinc/32/93/66/527329366.db2.gz REBPSEFESBYLSD-INIZCTEOSA-N 0 0 407.879 2.901 50 0 HFAARN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(Br)cc1F ZINC000032818285 527337233 /nfs/dbraw/zinc/33/72/33/527337233.db2.gz HVPIZUSYHAVTKB-UHFFFAOYSA-N 0 0 406.211 2.892 50 0 HFAARN O=C(NC1CCC(OC(=O)[C@H]2Cc3ccccc3O2)CC1)[C@H]1Cc2ccccc2O1 ZINC000032923753 527501102 /nfs/dbraw/zinc/50/11/02/527501102.db2.gz CZDWDJAQLCDGHH-ODMAOCJESA-N 0 0 407.466 2.964 50 0 HFAARN O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1cccnc1 ZINC000040396680 527541124 /nfs/dbraw/zinc/54/11/24/527541124.db2.gz FZGYDLPJFIQCLD-UHFFFAOYSA-N 0 0 400.373 2.629 50 0 HFAARN O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000043981797 527608269 /nfs/dbraw/zinc/60/82/69/527608269.db2.gz ZYJXFDKMWHDGOH-UHFFFAOYSA-N 0 0 411.458 2.854 50 0 HFAARN Cn1nnnc1-c1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000043936438 527653967 /nfs/dbraw/zinc/65/39/67/527653967.db2.gz WRLCZRICDJNZNM-INIZCTEOSA-N 0 0 405.462 2.760 50 0 HFAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(S(=O)(=O)N(C)C)cc(C)c3C)c12 ZINC000012987715 527683709 /nfs/dbraw/zinc/68/37/09/527683709.db2.gz OJXFHLAEELVRPS-UHFFFAOYSA-N 0 0 415.519 2.705 50 0 HFAARN Cc1nn(C)c2ncc(NC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)cc12 ZINC000032786966 527686411 /nfs/dbraw/zinc/68/64/11/527686411.db2.gz SWYHRMYHONMMHK-UHFFFAOYSA-N 0 0 423.498 2.737 50 0 HFAARN CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCCCc1ccccc1 ZINC000009303346 535091043 /nfs/dbraw/zinc/09/10/43/535091043.db2.gz RJTPJJVWYDGSSA-NRFANRHFSA-N 0 0 408.502 2.928 50 0 HFAARN CCOc1ccc2nc(SCc3nc(N)nc(N4CCOCC4)n3)sc2c1 ZINC000005953753 535445903 /nfs/dbraw/zinc/44/59/03/535445903.db2.gz KYLLVURDBFJKBD-UHFFFAOYSA-N 0 0 404.521 2.591 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2)c1 ZINC000004895534 535633210 /nfs/dbraw/zinc/63/32/10/535633210.db2.gz BIQJRRLHFWRTHV-UHFFFAOYSA-N 0 0 417.531 2.806 50 0 HFAARN CN(Cc1ccccc1N1CCCCC1)C(=O)CCn1nnc2ccccc2c1=O ZINC000024191274 536483428 /nfs/dbraw/zinc/48/34/28/536483428.db2.gz WPSBUMVWPWCKCY-UHFFFAOYSA-N 0 0 405.502 2.831 50 0 HFAARN CN(c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1)S(C)(=O)=O ZINC000004746821 536488353 /nfs/dbraw/zinc/48/83/53/536488353.db2.gz WJXVDMPSNOBMTI-UHFFFAOYSA-N 0 0 407.923 2.698 50 0 HFAARN COc1ccc(Cl)cc1C(=O)OCC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000007732148 536548699 /nfs/dbraw/zinc/54/86/99/536548699.db2.gz QPGJNYAMCFCZPT-UHFFFAOYSA-N 0 0 418.877 2.863 50 0 HFAARN COC(=O)c1cc(NC(=S)NC(=O)c2cccc(C)c2)ccc1N1CCOCC1 ZINC000020971678 536563592 /nfs/dbraw/zinc/56/35/92/536563592.db2.gz ZSCDXJJQHYEPKD-UHFFFAOYSA-N 0 0 413.499 2.745 50 0 HFAARN COC(=O)c1cc(NCc2ccc(OC)c(OC)c2OC)ccc1N1CCOCC1 ZINC000004386624 536566131 /nfs/dbraw/zinc/56/61/31/536566131.db2.gz CKEJDMFXGNDXQE-UHFFFAOYSA-N 0 0 416.474 2.948 50 0 HFAARN COC(=O)c1ccc(-c2ccco2)n1CC(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000006782118 536596974 /nfs/dbraw/zinc/59/69/74/536596974.db2.gz VZQUCBQHODTQNE-UHFFFAOYSA-N 0 0 423.469 2.892 50 0 HFAARN COc1cc(C(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCOCC1 ZINC000003452103 536887292 /nfs/dbraw/zinc/88/72/92/536887292.db2.gz BMFJYECLGKHGCN-UHFFFAOYSA-N 0 0 410.470 2.526 50 0 HFAARN COc1ccccc1N1CCN(C(=O)CSCC(=O)Nc2ccccc2F)CC1 ZINC000008199721 537065818 /nfs/dbraw/zinc/06/58/18/537065818.db2.gz VVKICXPCPTWPOB-UHFFFAOYSA-N 0 0 417.506 2.855 50 0 HFAARN COc1ccccc1N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000011666491 537065856 /nfs/dbraw/zinc/06/58/56/537065856.db2.gz SHHWVNAXBFNWPH-UHFFFAOYSA-N 0 0 414.936 2.533 50 0 HFAARN COc1cccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)NC3CC3)C2)c1 ZINC000033302608 537071682 /nfs/dbraw/zinc/07/16/82/537071682.db2.gz POZKBGJBOZXWDO-CQSZACIVSA-N 0 0 424.526 2.951 50 0 HFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000000627382 557023580 /nfs/dbraw/zinc/02/35/80/557023580.db2.gz XELFOHOZPJTIKT-FYXHJSOBSA-N 0 0 410.520 2.778 50 0 HFAARN CCOc1cc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)ccc1OC(C)=O ZINC000000638259 557030753 /nfs/dbraw/zinc/03/07/53/557030753.db2.gz BRMUREHOPDCVCI-LDADJPATSA-N 0 0 407.451 2.690 50 0 HFAARN O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000000646270 557035840 /nfs/dbraw/zinc/03/58/40/557035840.db2.gz BZMAYODBGUFTSG-OLZOCXBDSA-N 0 0 421.375 2.665 50 0 HFAARN CCn1cc(C(=O)NC(=S)Nc2ccc(I)cc2)cn1 ZINC000000650008 557038423 /nfs/dbraw/zinc/03/84/23/557038423.db2.gz JWUWRVAJGFWRCJ-UHFFFAOYSA-N 0 0 400.245 2.634 50 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CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3nsc4ccccc43)CC2)c1 ZINC000032996673 558811079 /nfs/dbraw/zinc/81/10/79/558811079.db2.gz SJNMOBHQHYKCHW-UHFFFAOYSA-N 0 0 408.483 2.853 50 0 HFAARN COc1ccccc1CNC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000017069307 558813480 /nfs/dbraw/zinc/81/34/80/558813480.db2.gz CMVOEFXEPQGTLF-UHFFFAOYSA-N 0 0 410.518 2.778 50 0 HFAARN Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000017081828 558813695 /nfs/dbraw/zinc/81/36/95/558813695.db2.gz CDGPXWPBHUTYQO-HNNXBMFYSA-N 0 0 400.402 2.548 50 0 HFAARN CCOC(=O)CN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000039356659 558820299 /nfs/dbraw/zinc/82/02/99/558820299.db2.gz SQQGDMAGUAAHHM-UHFFFAOYSA-N 0 0 414.531 2.705 50 0 HFAARN COc1ccccc1N1CCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)[C@H](C)C1 ZINC000039429946 558820988 /nfs/dbraw/zinc/82/09/88/558820988.db2.gz NBNYRJYDXPCPJY-QGZVFWFLSA-N 0 0 420.579 2.662 50 0 HFAARN COc1ccc(CN2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)c(F)c1 ZINC000039532753 558822188 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559243127 /nfs/dbraw/zinc/24/31/27/559243127.db2.gz GTXCWRIIMRVYLK-SFHVURJKSA-N 0 0 408.502 2.641 50 0 HFAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000005089933 559243321 /nfs/dbraw/zinc/24/33/21/559243321.db2.gz NVZPPOAZQCYPLI-UHFFFAOYSA-N 0 0 415.515 2.560 50 0 HFAARN Cc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)cc1 ZINC000005107463 559246159 /nfs/dbraw/zinc/24/61/59/559246159.db2.gz FGLOWRSWZHBMET-UHFFFAOYSA-N 0 0 414.462 2.856 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(-n2cccc2)c1 ZINC000005110299 559246931 /nfs/dbraw/zinc/24/69/31/559246931.db2.gz CEPPSIUFMLNFHN-UHFFFAOYSA-N 0 0 411.483 2.751 50 0 HFAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000033826684 559249236 /nfs/dbraw/zinc/24/92/36/559249236.db2.gz FTQXYYAEDVVQQG-OPQQBVKSSA-N 0 0 416.343 2.654 50 0 HFAARN CC(C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000409412994 559250334 /nfs/dbraw/zinc/25/03/34/559250334.db2.gz JVYKACNAMBILMM-YLJYHZDGSA-N 0 0 419.485 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O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(Oc2cccnn2)CC1 ZINC000096102920 568691562 /nfs/dbraw/zinc/69/15/62/568691562.db2.gz QAIPZSAOZGVPED-AWEZNQCLSA-N 0 0 400.866 2.553 50 0 HFAARN O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000096104316 568692309 /nfs/dbraw/zinc/69/23/09/568692309.db2.gz AITPCKOWMFLEAW-UHFFFAOYSA-N 0 0 409.504 2.551 50 0 HFAARN O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105416 568692895 /nfs/dbraw/zinc/69/28/95/568692895.db2.gz PFAKQUFWJFTAHG-UHFFFAOYSA-N 0 0 411.889 2.996 50 0 HFAARN CN(C)c1cccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000096105616 568693060 /nfs/dbraw/zinc/69/30/60/568693060.db2.gz BFAJRKZQTJOUER-UHFFFAOYSA-N 0 0 424.476 2.619 50 0 HFAARN CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000096116570 568695997 /nfs/dbraw/zinc/69/59/97/568695997.db2.gz LIXIBEIPXUUCRL-ICSRJNTNSA-N 0 0 419.485 2.907 50 0 biogenic HFAARN CSCC[C@H](NC(=O)c1sc2[nH]cnc(=O)c2c1C)c1nnc2ccccn21 ZINC000096117373 568696989 /nfs/dbraw/zinc/69/69/89/568696989.db2.gz PVMFFUCUMVWKSH-NSHDSACASA-N 0 0 414.516 2.560 50 0 HFAARN COc1ccc(N2CCC[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)nn1 ZINC000096118473 568698021 /nfs/dbraw/zinc/69/80/21/568698021.db2.gz LOFAPYUSSKSUHY-OWLMGLOSSA-N 0 0 421.545 2.559 50 0 HFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119014 568698669 /nfs/dbraw/zinc/69/86/69/568698669.db2.gz AAPNFNLDTFJKPF-AWEZNQCLSA-N 0 0 407.459 2.794 50 0 HFAARN CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)c2cccc3cccnc32)CC1 ZINC000096120330 568699326 /nfs/dbraw/zinc/69/93/26/568699326.db2.gz WCOOIHPBEXDTAT-UHFFFAOYSA-N 0 0 404.536 2.733 50 0 HFAARN O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121505 568699850 /nfs/dbraw/zinc/69/98/50/568699850.db2.gz JKBUWLHRVGLNFV-UHFFFAOYSA-N 0 0 417.469 2.548 50 0 HFAARN CCOc1ccc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 ZINC000227156593 568699895 /nfs/dbraw/zinc/69/98/95/568699895.db2.gz GVYWJTZWOIYTEN-OAHLLOKOSA-N 0 0 403.504 2.773 50 0 HFAARN Cc1cccc2sc(NC(=O)[C@@H]3CCCN(c4ccc(-n5cncn5)nn4)C3)nc21 ZINC000096124132 568700759 /nfs/dbraw/zinc/70/07/59/568700759.db2.gz SIALTUAGZMLDLE-CQSZACIVSA-N 0 0 420.502 2.831 50 0 HFAARN Cc1cccc2sc(NC(=O)[C@H]3CCCN(c4ccc(-n5cncn5)nn4)C3)nc21 ZINC000096124133 568700812 /nfs/dbraw/zinc/70/08/12/568700812.db2.gz SIALTUAGZMLDLE-AWEZNQCLSA-N 0 0 420.502 2.831 50 0 HFAARN CC(C)Oc1ccc(CNC(=O)Cn2ccc3ccc(N4CCOCC4)nc32)cc1 ZINC000096124809 568700962 /nfs/dbraw/zinc/70/09/62/568700962.db2.gz GURQOEBPGJWWFL-UHFFFAOYSA-N 0 0 408.502 2.977 50 0 HFAARN COCCn1nnc2ccc(NC(=O)CC3(n4cccc4)CCCCC3)cc2c1=O ZINC000096223606 568706205 /nfs/dbraw/zinc/70/62/05/568706205.db2.gz ZJDLWKMJSXPEKR-UHFFFAOYSA-N 0 0 409.490 2.928 50 0 HFAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)NCCCc3nnc4ccccn43)ccc12 ZINC000096231699 568707490 /nfs/dbraw/zinc/70/74/90/568707490.db2.gz CVWBYEBEHCZSTC-UHFFFAOYSA-N 0 0 420.469 2.889 50 0 HFAARN O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000096232028 568707910 /nfs/dbraw/zinc/70/79/10/568707910.db2.gz SNTAHLFXDYXRGT-QPJJXVBHSA-N 0 0 405.498 2.808 50 0 HFAARN C[C@H](Cc1ccco1)NC(=O)CCC(=O)N1CCCn2nc(-c3cccn3C)cc21 ZINC000021533023 568711677 /nfs/dbraw/zinc/71/16/77/568711677.db2.gz UBVUXXASZJJARW-MRXNPFEDSA-N 0 0 409.490 2.746 50 0 HFAARN COc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Nc3ccccc3)n2)cc1 ZINC000021537296 568712450 /nfs/dbraw/zinc/71/24/50/568712450.db2.gz KFDJYMQYOAATAE-UHFFFAOYSA-N 0 0 407.455 2.824 50 0 HFAARN COc1cccc(NC(=O)CCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)c1 ZINC000021540395 568713799 /nfs/dbraw/zinc/71/37/99/568713799.db2.gz KRSAQVHTRGQRNB-UHFFFAOYSA-N 0 0 407.405 2.599 50 0 HFAARN CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2C ZINC000012410784 568714657 /nfs/dbraw/zinc/71/46/57/568714657.db2.gz XPAVFCQNVSSHQF-UHFFFAOYSA-N 0 0 407.470 2.814 50 0 HFAARN COc1cccc2sc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]43)nc21 ZINC000229657049 568714997 /nfs/dbraw/zinc/71/49/97/568714997.db2.gz UBOVTZOITOPNTR-ITDIGPHOSA-N 0 0 406.533 2.969 50 0 HFAARN COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)no1 ZINC000096279793 568717713 /nfs/dbraw/zinc/71/77/13/568717713.db2.gz UDBSXOYFQGJZNU-QGZVFWFLSA-N 0 0 420.469 2.914 50 0 HFAARN CCOc1nn(CC)cc1-c1nnc(SCC(=O)N2CCC(C)CC2)n1CC ZINC000012422706 568721231 /nfs/dbraw/zinc/72/12/31/568721231.db2.gz HHEWBDYDCHZJCO-UHFFFAOYSA-N 0 0 406.556 2.931 50 0 HFAARN CCOC(=O)C1=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(C)cc2)NN1 ZINC000000866647 568723540 /nfs/dbraw/zinc/72/35/40/568723540.db2.gz HJPGGKSXOHTXGQ-HRAATJIYSA-N 0 0 411.845 2.556 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N(C)[C@H](CC)C(N)=O)csc3C2)nc1 ZINC000426641433 568724135 /nfs/dbraw/zinc/72/41/35/568724135.db2.gz DJWMJEBRYVNHLD-GOSISDBHSA-N 0 0 400.548 2.600 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H](CC)C(N)=O)csc3C2)nc1 ZINC000426641435 568724144 /nfs/dbraw/zinc/72/41/44/568724144.db2.gz DJWMJEBRYVNHLD-SFHVURJKSA-N 0 0 400.548 2.600 50 0 HFAARN COc1cccc(CN2CCCN(CC(=O)Nc3ccccc3Cl)S2(=O)=O)c1 ZINC000021629244 568724677 /nfs/dbraw/zinc/72/46/77/568724677.db2.gz MXZYCWATAXJHRP-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(F)cc2F)S1(=O)=O ZINC000021629210 568724687 /nfs/dbraw/zinc/72/46/87/568724687.db2.gz OTKQMTMBHPCDSM-UHFFFAOYSA-N 0 0 409.458 2.664 50 0 HFAARN O=C(CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O)Nc1ccccc1F ZINC000021633902 568725195 /nfs/dbraw/zinc/72/51/95/568725195.db2.gz UNTKXVPOSITMQC-UHFFFAOYSA-N 0 0 411.886 2.870 50 0 HFAARN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000021634066 568725220 /nfs/dbraw/zinc/72/52/20/568725220.db2.gz HEKBPCCHGSAERC-UHFFFAOYSA-N 0 0 407.923 2.958 50 0 HFAARN Cc1ccc(NC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCC4)cc32)cc1C ZINC000021635196 568725425 /nfs/dbraw/zinc/72/54/25/568725425.db2.gz CXGULBKHDDPFGI-UHFFFAOYSA-N 0 0 407.470 2.904 50 0 HFAARN Cc1ccc(Cc2c(C)nc(C3CC3)nc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096317179 568726412 /nfs/dbraw/zinc/72/64/12/568726412.db2.gz ICMWOHWHOHWYAX-UHFFFAOYSA-N 0 0 400.548 2.643 50 0 HFAARN COc1cc(-n2cnc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)cc(OC)c1OC ZINC000002926282 568726835 /nfs/dbraw/zinc/72/68/35/568726835.db2.gz PEIYXQIYTOHRCS-INIZCTEOSA-N 0 0 411.458 2.960 50 0 HFAARN COc1cc2nc(CN3CCOCC3)n(C/C=C/c3ccccc3)c(=O)c2cc1OC ZINC000021642095 568727799 /nfs/dbraw/zinc/72/77/99/568727799.db2.gz HKQSAPBJONXHMW-RMKNXTFCSA-N 0 0 421.497 2.959 50 0 HFAARN Cc1[nH]c(C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320033 568728472 /nfs/dbraw/zinc/72/84/72/568728472.db2.gz ZIADXARREIULQK-UHFFFAOYSA-N 0 0 411.911 2.867 50 0 HFAARN CCCn1c2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000096321524 568728880 /nfs/dbraw/zinc/72/88/80/568728880.db2.gz FACYYVLOXMUCIH-ZDUSSCGKSA-N 0 0 419.441 2.641 50 0 HFAARN CCc1noc2ncc(S(=O)(=O)N3CCNC[C@H]3c3ccc(CC)cc3)cc12 ZINC000241316896 568731078 /nfs/dbraw/zinc/73/10/78/568731078.db2.gz LVWBKUCBKWPCDE-IBGZPJMESA-N 0 0 400.504 2.683 50 0 HFAARN CCOC(=O)c1ncn(C2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)c1N ZINC000242088023 568732325 /nfs/dbraw/zinc/73/23/25/568732325.db2.gz WBGHOXDYQJUALC-UHFFFAOYSA-N 0 0 417.466 2.528 50 0 HFAARN COc1ccc(NC(=O)CSc2nccnc2N2CCSCC2)c(OC)c1 ZINC000021656921 568732419 /nfs/dbraw/zinc/73/24/19/568732419.db2.gz SIDWKMIGNMKVAL-UHFFFAOYSA-N 0 0 406.533 2.778 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)cc1 ZINC000021657342 568733015 /nfs/dbraw/zinc/73/30/15/568733015.db2.gz QWZNQJRODXFPTK-MRXNPFEDSA-N 0 0 409.442 2.813 50 0 HFAARN COc1cccc(CNC(=O)C2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)c1 ZINC000096324693 568734249 /nfs/dbraw/zinc/73/42/49/568734249.db2.gz QJVGRMXFIVESRH-UHFFFAOYSA-N 0 0 419.485 2.649 50 0 HFAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1 ZINC000096324809 568734680 /nfs/dbraw/zinc/73/46/80/568734680.db2.gz QYJMYWCUWICBDP-IBGZPJMESA-N 0 0 403.486 2.949 50 0 HFAARN COc1cccc([C@H]2[C@@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)C)c1 ZINC000245297657 568736068 /nfs/dbraw/zinc/73/60/68/568736068.db2.gz WDGWHTOEYOJRNE-IWQHBPENSA-N 0 0 406.475 2.638 50 0 biogenic HFAARN COC(=O)c1ccc(Cn2ncc3c4cc(OC)c(OC)cc4n(C)c3c2=O)s1 ZINC000096344160 568737331 /nfs/dbraw/zinc/73/73/31/568737331.db2.gz NICCZXOURVRVQI-UHFFFAOYSA-N 0 0 413.455 2.802 50 0 HFAARN COC(=O)c1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1-c1ccccc1 ZINC000096345600 568737695 /nfs/dbraw/zinc/73/76/95/568737695.db2.gz IACSRDIXYOUFFB-UHFFFAOYSA-N 0 0 424.482 2.671 50 0 HFAARN CC(=O)NCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)n1 ZINC000096372826 568740166 /nfs/dbraw/zinc/74/01/66/568740166.db2.gz GHBOWCFJFPXXMP-INIZCTEOSA-N 0 0 421.544 2.550 50 0 HFAARN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)OC ZINC000096385041 568741782 /nfs/dbraw/zinc/74/17/82/568741782.db2.gz ARGLBDFDTJGQCU-IBGZPJMESA-N 0 0 406.504 2.956 50 0 HFAARN COc1ccc(-n2c3ncccc3n(CC(=O)NCc3ccccc3C)c2=O)cc1 ZINC000096385650 568741994 /nfs/dbraw/zinc/74/19/94/568741994.db2.gz JSLSZOMIKIXWOA-UHFFFAOYSA-N 0 0 402.454 2.821 50 0 HFAARN O=C(Cc1ccccc1F)NCCn1c(=O)n(Cc2ccccc2)c2cccnc21 ZINC000096385968 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2.646 50 0 HFAARN Cc1cc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 ZINC000035351427 569033473 /nfs/dbraw/zinc/03/34/73/569033473.db2.gz YULNNFWPDDQHKV-OAQYLSRUSA-N 0 0 409.530 2.925 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3cc(C)ccc3C)CC2)cc1 ZINC000006236802 569034116 /nfs/dbraw/zinc/03/41/16/569034116.db2.gz HATFCKSXIJGTSV-UHFFFAOYSA-N 0 0 416.543 2.914 50 0 HFAARN COc1ccc(NC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000035378060 569034263 /nfs/dbraw/zinc/03/42/63/569034263.db2.gz YJIZBJNZPNDMNC-PMACEKPBSA-N 0 0 413.543 2.586 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000035388513 569034588 /nfs/dbraw/zinc/03/45/88/569034588.db2.gz HHMQIENCPLUWQY-UHFFFAOYSA-N 0 0 408.505 2.514 50 0 HFAARN O=C(Cn1cnc2c3cc(Br)ccc3[nH]c2c1=O)NCc1ccco1 ZINC000035423602 569036390 /nfs/dbraw/zinc/03/63/90/569036390.db2.gz VGHNENWJTNTEHT-UHFFFAOYSA-N 0 0 401.220 2.550 50 0 HFAARN COc1cc2[nH]c3c(ncn(CCC(=O)NCc4cccs4)c3=O)c2cc1OC ZINC000035424081 569036472 /nfs/dbraw/zinc/03/64/72/569036472.db2.gz PDYXIBVECWOBEV-UHFFFAOYSA-N 0 0 412.471 2.663 50 0 HFAARN Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000035430673 569036731 /nfs/dbraw/zinc/03/67/31/569036731.db2.gz QJJNBJSJGWYWTK-UHFFFAOYSA-N 0 0 404.514 2.962 50 0 biogenic HFAARN O=C1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N=C1c1cccc(F)c1 ZINC000035432605 569037002 /nfs/dbraw/zinc/03/70/02/569037002.db2.gz QTBMMHRRSLESEF-UHFFFAOYSA-N 0 0 421.881 2.579 50 0 HFAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)n(C)c2)C1 ZINC000035431329 569037074 /nfs/dbraw/zinc/03/70/74/569037074.db2.gz ZPSVMUIIPNJEPS-INIZCTEOSA-N 0 0 401.532 2.644 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCc3ccccc3C2)cc1C ZINC000035431236 569037075 /nfs/dbraw/zinc/03/70/75/569037075.db2.gz QAQNFEGQTUWPEW-FQEVSTJZSA-N 0 0 412.511 2.568 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)NCc3cncc(-c4ccnn4C)c3)CC2=O)cc1C ZINC000575617108 569037097 /nfs/dbraw/zinc/03/70/97/569037097.db2.gz RUGDCFSAGKNTQZ-LJQANCHMSA-N 0 0 403.486 2.768 50 0 HFAARN O=C(N1CCC(n2cnc3ncccc3c2=O)CC1)C1(c2ccccc2)CCOCC1 ZINC000575617358 569037327 /nfs/dbraw/zinc/03/73/27/569037327.db2.gz ODTDLGRIHDNIMU-UHFFFAOYSA-N 0 0 418.497 2.703 50 0 HFAARN Cc1c(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)cnn1-c1ccccc1 ZINC000575617826 569037576 /nfs/dbraw/zinc/03/75/76/569037576.db2.gz XGXOEBUEPCMILB-CYBMUJFWSA-N 0 0 404.396 2.827 50 0 HFAARN CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(CC)cc1)c(=O)n2CCC ZINC000006294251 569038063 /nfs/dbraw/zinc/03/80/63/569038063.db2.gz XFPWCUOUZXRISG-UHFFFAOYSA-N 0 0 411.506 2.771 50 0 HFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccncc1 ZINC000006308081 569038578 /nfs/dbraw/zinc/03/85/78/569038578.db2.gz XXMNJXPLBHCCAH-HXUWFJFHSA-N 0 0 420.473 2.534 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)cc1 ZINC000035482538 569039584 /nfs/dbraw/zinc/03/95/84/569039584.db2.gz DYUFNQUWRYYJPS-UHFFFAOYSA-N 0 0 421.505 2.875 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)c1 ZINC000229749762 569040603 /nfs/dbraw/zinc/04/06/03/569040603.db2.gz VYZDKHNTTOUGJU-MNEFBYGVSA-N 0 0 422.547 2.663 50 0 HFAARN Cn1nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1ccncc1 ZINC000090607110 569041797 /nfs/dbraw/zinc/04/17/97/569041797.db2.gz QFFNEMJQYZZMHR-UHFFFAOYSA-N 0 0 412.393 2.859 50 0 HFAARN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1COCC(=O)N1Cc1cccs1 ZINC000090608545 569042321 /nfs/dbraw/zinc/04/23/21/569042321.db2.gz BPEBNYFDGCDJMS-OAHLLOKOSA-N 0 0 414.405 2.691 50 0 HFAARN CCOC(=O)C1=C(COC(=O)C=Cc2cccc(Br)c2)NC(=O)N[C@H]1C ZINC000022862438 569042812 /nfs/dbraw/zinc/04/28/12/569042812.db2.gz FBNAOPOQQFFCBR-AEZGRPFRSA-N 0 0 423.263 2.524 50 0 HFAARN O=S(=O)(c1cc(F)ccc1F)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000035514924 569043287 /nfs/dbraw/zinc/04/32/87/569043287.db2.gz JUNJXQPUJMXQTC-UHFFFAOYSA-N 0 0 410.471 2.871 50 0 HFAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc3nc(C)cc(C)n32)cc1 ZINC000006326358 569043328 /nfs/dbraw/zinc/04/33/28/569043328.db2.gz WZHHRCLANCYLLN-UHFFFAOYSA-N 0 0 412.519 2.954 50 0 HFAARN CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035534987 569043511 /nfs/dbraw/zinc/04/35/11/569043511.db2.gz OXXUVLVOZBAZDP-KRWDZBQOSA-N 0 0 406.435 2.543 50 0 HFAARN O=C(COc1cccc2cccnc21)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000006344202 569043820 /nfs/dbraw/zinc/04/38/20/569043820.db2.gz QMQZJYLIQNMILW-LJQANCHMSA-N 0 0 410.495 2.830 50 0 HFAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000035531474 569044364 /nfs/dbraw/zinc/04/43/64/569044364.db2.gz OMDDTPPIHJMHHE-UHFFFAOYSA-N 0 0 420.506 2.942 50 0 HFAARN Cn1nc(NC(=O)c2cc3ccccc3oc2=O)c2c1NC(=O)C[C@H]2c1ccco1 ZINC000035597871 569045784 /nfs/dbraw/zinc/04/57/84/569045784.db2.gz DWYQLLFWKVDTRE-LBPRGKRZSA-N 0 0 404.382 2.846 50 0 HFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CCN(C(C)=O)CC1)C[C@H](C)CC2 ZINC000035600715 569045909 /nfs/dbraw/zinc/04/59/09/569045909.db2.gz ZNVPQHSFDXTAKS-ZIAGYGMSSA-N 0 0 421.563 2.541 50 0 HFAARN COc1ccc(C(C)=O)cc1COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000006361163 569045926 /nfs/dbraw/zinc/04/59/26/569045926.db2.gz DTYDCOZDUIUGRZ-CYBMUJFWSA-N 0 0 406.460 2.998 50 0 HFAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CCN(C(C)=O)CC1)C[C@@H](C)CC2 ZINC000035600724 569045959 /nfs/dbraw/zinc/04/59/59/569045959.db2.gz ZNVPQHSFDXTAKS-KBPBESRZSA-N 0 0 421.563 2.541 50 0 HFAARN CC1=NN(C(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)[C@](O)(C(F)F)C1 ZINC000006394734 569046551 /nfs/dbraw/zinc/04/65/51/569046551.db2.gz CVXQJORONOFNMP-MRXNPFEDSA-N 0 0 402.760 2.888 50 0 HFAARN C[C@H]1CCC[C@H](C)C12NC(=O)N(CN(C)CC(=O)Nc1ccccc1Cl)C2=O ZINC000012983989 569047618 /nfs/dbraw/zinc/04/76/18/569047618.db2.gz GJPBVMPIKZPHIS-KBPBESRZSA-N 0 0 406.914 2.915 50 0 HFAARN NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 ZINC000012986111 569047776 /nfs/dbraw/zinc/04/77/76/569047776.db2.gz CKMIQSGWEZEQOO-LBPRGKRZSA-N 0 0 402.248 2.540 50 0 HFAARN O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2cnccn2)CC1 ZINC000090678194 569047934 /nfs/dbraw/zinc/04/79/34/569047934.db2.gz CXPVHBPUJWDKQF-UHFFFAOYSA-N 0 0 404.311 2.533 50 0 HFAARN C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000040050313 569048060 /nfs/dbraw/zinc/04/80/60/569048060.db2.gz MAQLKCGMBGIRFP-LNJMBMCMSA-N 0 0 403.486 2.653 50 0 HFAARN CC(C)CN(C(=O)C=Cc1c(F)cccc1F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000040129368 569048096 /nfs/dbraw/zinc/04/80/96/569048096.db2.gz NZVLHOATZIPHQB-CMDGGOBGSA-N 0 0 420.460 2.755 50 0 HFAARN Cc1ccccc1C1=NO[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(C)C)C1 ZINC000006872208 569048165 /nfs/dbraw/zinc/04/81/65/569048165.db2.gz QMFSIRBMFBOUKD-FGZHOGPDSA-N 0 0 407.514 2.988 50 0 HFAARN COc1ccc(-c2noc(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000035672244 569048535 /nfs/dbraw/zinc/04/85/35/569048535.db2.gz AGYYNHSONVFBHU-UHFFFAOYSA-N 0 0 413.430 2.744 50 0 HFAARN COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc4ccccc4s3)cc21 ZINC000035686259 569050503 /nfs/dbraw/zinc/05/05/03/569050503.db2.gz KYDNUGKVSNAHKD-LLVKDONJSA-N 0 0 424.482 3.552 50 0 HFAARN Cc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC000013011954 569050509 /nfs/dbraw/zinc/05/05/09/569050509.db2.gz LYLBAKVYOOESBA-VQIMIIECSA-N 0 0 414.527 2.624 50 0 HFAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000013014680 569050816 /nfs/dbraw/zinc/05/08/16/569050816.db2.gz FVPHOMSIASFWMA-ZDUSSCGKSA-N 0 0 405.863 2.703 50 0 HFAARN NS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000013017754 569050948 /nfs/dbraw/zinc/05/09/48/569050948.db2.gz XHXZZTLMNOQICC-UHFFFAOYSA-N 0 0 400.422 2.644 50 0 HFAARN COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000013017895 569050962 /nfs/dbraw/zinc/05/09/62/569050962.db2.gz UARDTZOEHVXUOM-UHFFFAOYSA-N 0 0 416.499 2.593 50 0 HFAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN[C@H](c2cc3ccccc3o2)c2ccccc2)C1=O ZINC000013018382 569051040 /nfs/dbraw/zinc/05/10/40/569051040.db2.gz GETNSXFLUGXKHV-NZQKXSOJSA-N 0 0 420.469 2.864 50 0 HFAARN CC(C)OC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 ZINC000409414022 569051529 /nfs/dbraw/zinc/05/15/29/569051529.db2.gz ZRGQSVHMGYCBRZ-SFHVURJKSA-N 0 0 409.442 2.721 50 0 biogenic HFAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)C4CC4)CC3)nn2)cc1 ZINC000035706060 569052750 /nfs/dbraw/zinc/05/27/50/569052750.db2.gz IFJNTJAGBIEUQO-UHFFFAOYSA-N 0 0 419.529 2.502 50 0 HFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000016469091 569052799 /nfs/dbraw/zinc/05/27/99/569052799.db2.gz FFBUDVIZOSRMOG-UHFFFAOYSA-N 0 0 412.877 2.915 50 0 HFAARN O=C(OCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000035713996 569053039 /nfs/dbraw/zinc/05/30/39/569053039.db2.gz WHEFGPYJHHIUCQ-UHFFFAOYSA-N 0 0 423.531 2.982 50 0 HFAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2nc(CCCO)nc2N1 ZINC000001795407 569053195 /nfs/dbraw/zinc/05/31/95/569053195.db2.gz WUAILWMAHIBWGY-HXUWFJFHSA-N 0 0 405.458 2.836 50 0 HFAARN O=S(=O)(c1ccccc1)N1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 ZINC000013070361 569053879 /nfs/dbraw/zinc/05/38/79/569053879.db2.gz BSOJPYXHHAHRHZ-UHFFFAOYSA-N 0 0 421.573 2.633 50 0 HFAARN CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000239433417 569054358 /nfs/dbraw/zinc/05/43/58/569054358.db2.gz XQTAISLGJCAZLA-KURKYZTESA-N 0 0 420.575 2.979 50 0 HFAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245242305 569055361 /nfs/dbraw/zinc/05/53/61/569055361.db2.gz ZPXAYNDLMJTIIK-LVBDUCALSA-N 0 0 405.429 2.565 50 0 HFAARN CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253616 569055368 /nfs/dbraw/zinc/05/53/68/569055368.db2.gz JOZUTRHSMRQYDN-JWNTYJGQSA-N 0 0 420.550 2.907 50 0 biogenic HFAARN CCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2)n[nH]1 ZINC000089279907 569056222 /nfs/dbraw/zinc/05/62/22/569056222.db2.gz YXMURBMAUFQOBL-UHFFFAOYSA-N 0 0 403.364 2.820 50 0 HFAARN CC(=O)Oc1ccc2c(c1)occ([C@@H]1[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c31)c2=O ZINC000001830145 569056315 /nfs/dbraw/zinc/05/63/15/569056315.db2.gz QLPUCPGOPUIEDP-NQIIRXRSSA-N 0 0 418.405 2.888 50 0 biogenic HFAARN COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(C)=O)c1 ZINC000026771693 569056587 /nfs/dbraw/zinc/05/65/87/569056587.db2.gz MYAGCLQIUTYAEN-CIAFKFPVSA-N 0 0 418.449 2.808 50 0 biogenic HFAARN Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1C ZINC000248174243 569057643 /nfs/dbraw/zinc/05/76/43/569057643.db2.gz YGYZTFOHAYDOBI-SMOZNVCYSA-N 0 0 419.456 2.874 50 0 HFAARN CCCCS(=O)(=O)N(CCC)CC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000035767839 569058114 /nfs/dbraw/zinc/05/81/14/569058114.db2.gz XJUYDLJZQRMDJH-GOSISDBHSA-N 0 0 400.541 2.629 50 0 HFAARN CCn1c2ccccc2nc1S[C@@H](CN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000089305501 569058343 /nfs/dbraw/zinc/05/83/43/569058343.db2.gz HCINWGFOGCUGJW-KRWDZBQOSA-N 0 0 409.467 2.986 50 0 HFAARN CCn1ccc(=O)c(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c1 ZINC000089309940 569058391 /nfs/dbraw/zinc/05/83/91/569058391.db2.gz WWVPVLRHDGPJCL-MRXNPFEDSA-N 0 0 417.531 2.992 50 0 HFAARN COc1cc(Br)c(S(=O)(=O)N(C)c2cccc(CO)c2)cc1OC ZINC000089365388 569058735 /nfs/dbraw/zinc/05/87/35/569058735.db2.gz LKKDPBDLTOCXQY-UHFFFAOYSA-N 0 0 416.293 2.784 50 0 HFAARN O=C(CSc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1)N1CCCC1 ZINC000006507287 569061804 /nfs/dbraw/zinc/06/18/04/569061804.db2.gz RDKPQRTZFAUXBP-INIZCTEOSA-N 0 0 412.511 2.971 50 0 HFAARN CCCCn1c2nc(COC(=O)c3ccccc3F)n(CCC)c2c(=O)[nH]c1=O ZINC000006508116 569061857 /nfs/dbraw/zinc/06/18/57/569061857.db2.gz QXELMECHEKIOFP-UHFFFAOYSA-N 0 0 402.426 2.593 50 0 HFAARN Cc1nn(C[C@H](C)C(=O)N2NC(C)=C[C@]2(O)C(F)(F)F)c(C)c1Br ZINC000006526427 569063225 /nfs/dbraw/zinc/06/32/25/569063225.db2.gz ODAUZDJEVGVPGZ-CPFSXVBKSA-N 0 0 411.222 2.758 50 0 HFAARN CC(=O)O[C@@H](C(=O)Nc1cccc(C)c1)[C@@H](OC(C)=O)C(=O)Nc1cccc(C)c1 ZINC000002022840 569064075 /nfs/dbraw/zinc/06/40/75/569064075.db2.gz MKQPWGYVJKRAKL-WOJBJXKFSA-N 0 0 412.442 2.744 50 0 HFAARN COCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(C)cc3)C[C@@H]12 ZINC000035871792 569064145 /nfs/dbraw/zinc/06/41/45/569064145.db2.gz RGWOVBKHGAPYBX-GMAHTHKFSA-N 0 0 409.530 2.634 50 0 HFAARN CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(NC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000006560179 569065750 /nfs/dbraw/zinc/06/57/50/569065750.db2.gz TZMKJHWDJOGURJ-KBPBESRZSA-N 0 0 422.576 2.578 50 0 HFAARN COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(C(C)=O)cc3)C1=O)CC2 ZINC000022609209 569066139 /nfs/dbraw/zinc/06/61/39/569066139.db2.gz IWZHKXBUEMYWRB-LJQANCHMSA-N 0 0 408.454 2.597 50 0 biogenic HFAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006587696 569068050 /nfs/dbraw/zinc/06/80/50/569068050.db2.gz BJAGEHMEHQQVJB-CYBMUJFWSA-N 0 0 424.929 2.766 50 0 HFAARN CCn1c(=O)c(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)nc2cccnc21 ZINC000064579133 569068259 /nfs/dbraw/zinc/06/82/59/569068259.db2.gz LCTNCLJCTNTQFS-UHFFFAOYSA-N 0 0 410.453 2.741 50 0 HFAARN CC(C)Cn1c2nnc(CCC(=O)N(C)Cc3ccco3)n2c2ccsc2c1=O ZINC000064580279 569068422 /nfs/dbraw/zinc/06/84/22/569068422.db2.gz QGNAIFAOYRAKIE-UHFFFAOYSA-N 0 0 413.503 2.946 50 0 HFAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(C)=O)c1 ZINC000035962711 569068925 /nfs/dbraw/zinc/06/89/25/569068925.db2.gz SZPSWJYGCVELLR-HXUWFJFHSA-N 0 0 413.449 2.999 50 0 HFAARN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NC3CC3)C2)[C@H](c2ccccc2)NC1=O ZINC000035964312 569069058 /nfs/dbraw/zinc/06/90/58/569069058.db2.gz XISOMIJWUFEZQH-PXNSSMCTSA-N 0 0 410.518 2.562 50 0 HFAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000006600379 569069334 /nfs/dbraw/zinc/06/93/34/569069334.db2.gz IWRBQRUEQXVNJK-KRWDZBQOSA-N 0 0 422.481 2.744 50 0 HFAARN COc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006600312 569069391 /nfs/dbraw/zinc/06/93/91/569069391.db2.gz MEXLCUQDBNGCPN-UHFFFAOYSA-N 0 0 411.502 2.820 50 0 HFAARN COc1ccccc1-n1ccn2c(SCC(=O)Nc3cccc(C)c3)nnc2c1=O ZINC000064593073 569069482 /nfs/dbraw/zinc/06/94/82/569069482.db2.gz OHOPXOGMESHQFB-UHFFFAOYSA-N 0 0 421.482 2.928 50 0 HFAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000004434708 569071300 /nfs/dbraw/zinc/07/13/00/569071300.db2.gz NUEKZDFFDZIKIO-OAHLLOKOSA-N 0 0 404.488 2.868 50 0 HFAARN Cc1cc2c(nc(SCC(=O)N3CCN(c4ccccc4)CC3)n(C)c2=O)s1 ZINC000004413324 569071304 /nfs/dbraw/zinc/07/13/04/569071304.db2.gz AKOGFHPRPICJBB-UHFFFAOYSA-N 0 0 414.556 2.744 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)c4nncn4C)csc3C2)nc1 ZINC000426378306 569072573 /nfs/dbraw/zinc/07/25/73/569072573.db2.gz YUQHOUZRQRPILP-CQSZACIVSA-N 0 0 410.547 2.883 50 0 HFAARN CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426395147 569072609 /nfs/dbraw/zinc/07/26/09/569072609.db2.gz HUGGOTNZNFDEFR-AWEZNQCLSA-N 0 0 404.478 2.687 50 0 HFAARN CCn1c(CCC(=O)NCc2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000027078561 569072974 /nfs/dbraw/zinc/07/29/74/569072974.db2.gz CZIAWGNUURLMOL-UHFFFAOYSA-N 0 0 420.560 2.617 50 0 HFAARN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@H](C)c3nncn3C)csc2C1 ZINC000426471583 569073024 /nfs/dbraw/zinc/07/30/24/569073024.db2.gz OPNOAOSKBFMCFY-GFCCVEGCSA-N 0 0 400.508 2.531 50 0 HFAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCC[C@]4(CNC(=O)O4)CC3)sc21 ZINC000426497334 569073139 /nfs/dbraw/zinc/07/31/39/569073139.db2.gz XRJJQLZLXDGQNV-OAHLLOKOSA-N 0 0 402.398 2.758 50 0 HFAARN CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)Cn4cncn4)csc3C2)nc1 ZINC000426538740 569073382 /nfs/dbraw/zinc/07/33/82/569073382.db2.gz ZLPUQXBADARMPA-OAHLLOKOSA-N 0 0 410.547 2.674 50 0 HFAARN CNC(=O)[C@H]1CCCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426574721 569073463 /nfs/dbraw/zinc/07/34/63/569073463.db2.gz LIEGEBJARZWIJJ-HNNXBMFYSA-N 0 0 416.547 2.509 50 0 HFAARN CCOC(=O)C1=C(CN2CCCCC2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000035991130 569074602 /nfs/dbraw/zinc/07/46/02/569074602.db2.gz NQZNBBNMFKTIBV-HXUWFJFHSA-N 0 0 417.506 2.703 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c(C)n1C ZINC000035993158 569074822 /nfs/dbraw/zinc/07/48/22/569074822.db2.gz SPUSIEZDIJIWHF-INIZCTEOSA-N 0 0 416.474 2.916 50 0 HFAARN COCc1nc2c(c(C)nn2-c2ccccc2)c(NCCNC(=O)c2ccco2)n1 ZINC000036001959 569075215 /nfs/dbraw/zinc/07/52/15/569075215.db2.gz WPLLRQSBTUYGSQ-UHFFFAOYSA-N 0 0 406.446 2.705 50 0 HFAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@@H]13)O2 ZINC000006624467 569075615 /nfs/dbraw/zinc/07/56/15/569075615.db2.gz JMQHDPGEFRNBMV-BLRYILKCSA-N 0 0 405.498 2.551 50 0 HFAARN O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)c1csc(Nc2ccc(F)cc2)n1 ZINC000036009682 569075716 /nfs/dbraw/zinc/07/57/16/569075716.db2.gz KCYVGLXVQLZWNL-DOTOQJQBSA-N 0 0 418.494 2.926 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000036007113 569076137 /nfs/dbraw/zinc/07/61/37/569076137.db2.gz IPHMANLLSYGBFK-JOCHJYFZSA-N 0 0 419.481 2.643 50 0 HFAARN CCNC(=O)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccc(F)cc1 ZINC000036014189 569076422 /nfs/dbraw/zinc/07/64/22/569076422.db2.gz TXZRSHYEGUNYBK-NRFANRHFSA-N 0 0 424.520 2.890 50 0 HFAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000006646537 569079229 /nfs/dbraw/zinc/07/92/29/569079229.db2.gz SDFYUYDGMLYEEH-UHFFFAOYSA-N 0 0 400.456 2.697 50 0 HFAARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000006646343 569079266 /nfs/dbraw/zinc/07/92/66/569079266.db2.gz CVQVJZQNBLWJDZ-INIZCTEOSA-N 0 0 415.471 2.776 50 0 HFAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(C)=O ZINC000036030069 569079426 /nfs/dbraw/zinc/07/94/26/569079426.db2.gz ANAMDKACRDJFKW-UHFFFAOYSA-N 0 0 407.536 2.508 50 0 HFAARN CCCNC(=O)[C@@H]1CN(C(=S)NC(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044694 569081827 /nfs/dbraw/zinc/08/18/27/569081827.db2.gz KHAWAXMCTVCBKD-HZPDHXFCSA-N 0 0 423.579 2.537 50 0 HFAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1c2ccccc2C[C@H]1C ZINC000006651439 569082402 /nfs/dbraw/zinc/08/24/02/569082402.db2.gz PORFVHKGDJKIAP-LLVKDONJSA-N 0 0 401.488 2.722 50 0 HFAARN COc1cccc([C@@H]2CN(C(=S)NC3CC3)C[C@H]2C(=O)NCC(C)C)c1OC ZINC000036055323 569084515 /nfs/dbraw/zinc/08/45/15/569084515.db2.gz ILXBSUZWKDRIMC-DLBZAZTESA-N 0 0 405.564 2.528 50 0 HFAARN CC(C)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)C1CCC1 ZINC000036061747 569085327 /nfs/dbraw/zinc/08/53/27/569085327.db2.gz YBYMCAAANYVXCK-UHFFFAOYSA-N 0 0 421.545 2.829 50 0 HFAARN COc1ccc(C[C@@H](C)NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000006668076 569086115 /nfs/dbraw/zinc/08/61/15/569086115.db2.gz MGMICDMPIWMZOJ-LLVKDONJSA-N 0 0 410.879 2.703 50 0 HFAARN CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(O)cc2)NC(=O)N3C)cc1 ZINC000006668389 569086316 /nfs/dbraw/zinc/08/63/16/569086316.db2.gz RXFHATVALCQDFV-IBGZPJMESA-N 0 0 407.426 2.566 50 0 HFAARN CC[C@H](C)NC(=O)c1nn(-c2ccccc2F)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000036085378 569087645 /nfs/dbraw/zinc/08/76/45/569087645.db2.gz ZFGPWPKBUZHSEB-LSDHHAIUSA-N 0 0 410.449 2.671 50 0 HFAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)NC2CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000036085832 569087715 /nfs/dbraw/zinc/08/77/15/569087715.db2.gz ZMFDBCLUBXYCMD-ZDUSSCGKSA-N 0 0 410.861 2.549 50 0 HFAARN CCN(CC)C(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036086357 569087929 /nfs/dbraw/zinc/08/79/29/569087929.db2.gz MURWVAWAUHPNTD-UHFFFAOYSA-N 0 0 420.513 2.850 50 0 HFAARN Cc1ccc(Cn2c(=O)c(C(=O)NC(C)C)nn(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000036086315 569087941 /nfs/dbraw/zinc/08/79/41/569087941.db2.gz AQVBHVMWVRMLDG-UHFFFAOYSA-N 0 0 406.486 2.506 50 0 HFAARN Cc1cccc(Cn2c(=O)c(C(=O)NCC3CC3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086354 569087950 /nfs/dbraw/zinc/08/79/50/569087950.db2.gz SMIQCXQVRIDMMF-UHFFFAOYSA-N 0 0 418.497 2.508 50 0 HFAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036086964 569088229 /nfs/dbraw/zinc/08/82/29/569088229.db2.gz ZWFKWIRLHSNCKA-KRWDZBQOSA-N 0 0 406.486 2.588 50 0 HFAARN CC(C)c1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087794 569088643 /nfs/dbraw/zinc/08/86/43/569088643.db2.gz DPFRNKPYXOLQRD-UHFFFAOYSA-N 0 0 418.497 2.802 50 0 HFAARN CCN(C(=O)Cn1c(=O)c(C(=O)NC)cnc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000064759420 569090853 /nfs/dbraw/zinc/09/08/53/569090853.db2.gz ODBTTXNNZYFLLB-UHFFFAOYSA-N 0 0 424.888 2.976 50 0 HFAARN 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Cc1ccc2nc3sc(C(=O)NC[C@@H]4COc5ccccc5O4)cc3c(=O)n2c1 ZINC000017122414 569275139 /nfs/dbraw/zinc/27/51/39/569275139.db2.gz BXXFEELEBPDSNN-CYBMUJFWSA-N 0 0 407.451 2.787 50 0 HFAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000017226915 569276613 /nfs/dbraw/zinc/27/66/13/569276613.db2.gz KXUZUHXDNUXHAQ-AWEZNQCLSA-N 0 0 423.564 2.763 50 0 HFAARN CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000002072329 569277554 /nfs/dbraw/zinc/27/75/54/569277554.db2.gz QTWBRZYWKLPHOI-KRWDZBQOSA-N 0 0 404.532 2.843 50 0 HFAARN Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000001860970 569277747 /nfs/dbraw/zinc/27/77/47/569277747.db2.gz ZAPVJBHFXJLUSK-UHFFFAOYSA-N 0 0 409.269 2.891 50 0 HFAARN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 ZINC000006208348 569279618 /nfs/dbraw/zinc/27/96/18/569279618.db2.gz WJAUSEYRWWVFCP-UHFFFAOYSA-N 0 0 411.483 2.886 50 0 HFAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002093746 569280731 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O=S(=O)(CCn1nnc(-c2ccc(F)cc2)n1)c1ccc(Br)cc1 ZINC000007606941 569295182 /nfs/dbraw/zinc/29/51/82/569295182.db2.gz UKIHPIJEAUURGC-UHFFFAOYSA-N 0 0 411.256 2.716 50 0 HFAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O ZINC000007645046 569298447 /nfs/dbraw/zinc/29/84/47/569298447.db2.gz FFQBZRNFGRKBOE-XMMPIXPASA-N 0 0 419.481 2.939 50 0 HFAARN O=C(NCCOc1ccccc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000007653032 569298888 /nfs/dbraw/zinc/29/88/88/569298888.db2.gz XWZONROQECWBLX-UHFFFAOYSA-N 0 0 407.447 2.873 50 0 HFAARN CCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C ZINC000007669978 569299970 /nfs/dbraw/zinc/29/99/70/569299970.db2.gz AWRFDSGJCJVQAG-UHFFFAOYSA-N 0 0 416.909 2.935 50 0 HFAARN CCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1OCC ZINC000007670999 569300039 /nfs/dbraw/zinc/30/00/39/569300039.db2.gz UAWOJQYFXRKQKH-UHFFFAOYSA-N 0 0 420.531 2.707 50 0 HFAARN CCC(=O)N(c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)s1)C1CC1 ZINC000007673056 569300144 /nfs/dbraw/zinc/30/01/44/569300144.db2.gz AGXKVYQGFXMGKR-UHFFFAOYSA-N 0 0 402.501 2.913 50 0 HFAARN Cc1ccccc1OCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000007671632 569300146 /nfs/dbraw/zinc/30/01/46/569300146.db2.gz QPBFEKZEZRZXLH-KRWDZBQOSA-N 0 0 407.470 2.818 50 0 HFAARN COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000007704753 569301453 /nfs/dbraw/zinc/30/14/53/569301453.db2.gz IGFCAFJRIDNIOL-UHFFFAOYSA-N 0 0 416.293 2.953 50 0 HFAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(I)cc1 ZINC000007719069 569302218 /nfs/dbraw/zinc/30/22/18/569302218.db2.gz RULJJPJWESDPJH-UHFFFAOYSA-N 0 0 405.199 2.583 50 0 HFAARN CC(C)NC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037512305 569302554 /nfs/dbraw/zinc/30/25/54/569302554.db2.gz PVIBQGSWRYQXNP-CQSZACIVSA-N 0 0 414.433 2.726 50 0 HFAARN CCCc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NC2CC2)C(=O)CO3)cc1 ZINC000037512852 569302576 /nfs/dbraw/zinc/30/25/76/569302576.db2.gz LBAVUXIAWKACFC-UHFFFAOYSA-N 0 0 422.481 2.905 50 0 HFAARN CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(C(C)C)cc3)cc21 ZINC000037513074 569302605 /nfs/dbraw/zinc/30/26/05/569302605.db2.gz OMEMTLLNRNADRD-UHFFFAOYSA-N 0 0 410.470 2.933 50 0 HFAARN COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)[C@@H](C)C2=O)cc1OC ZINC000037521862 569303044 /nfs/dbraw/zinc/30/30/44/569303044.db2.gz DQAYEUYZXGMZRZ-AWEZNQCLSA-N 0 0 418.877 3.000 50 0 HFAARN C[C@@H](c1ccccc1)N1CCN(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000007730961 569304451 /nfs/dbraw/zinc/30/44/51/569304451.db2.gz OWENRLWFCWPMLZ-SFHVURJKSA-N 0 0 412.509 2.601 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000037553445 569306030 /nfs/dbraw/zinc/30/60/30/569306030.db2.gz MCHGGYXADOWSOS-VAMGGRTRSA-N 0 0 424.563 2.702 50 0 HFAARN CCn1c(=O)c2c(ncn2Cc2ccc(F)c(F)c2)n(-c2ccccc2OC)c1=O ZINC000037558780 569306578 /nfs/dbraw/zinc/30/65/78/569306578.db2.gz DLJPZKJNZRJQBK-UHFFFAOYSA-N 0 0 412.396 2.704 50 0 HFAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3-n3cccc3)C2=O)C1 ZINC000037572670 569307432 /nfs/dbraw/zinc/30/74/32/569307432.db2.gz CAWYTPNTUBWNKX-ZWKOTPCHSA-N 0 0 409.486 2.632 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000007775119 569308492 /nfs/dbraw/zinc/30/84/92/569308492.db2.gz IKKCYRJQWCTODP-UHFFFAOYSA-N 0 0 410.499 2.532 50 0 HFAARN O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007777190 569308623 /nfs/dbraw/zinc/30/86/23/569308623.db2.gz IWUUUOYWFCMZNB-UHFFFAOYSA-N 0 0 412.471 2.776 50 0 HFAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1OC ZINC000007777556 569308690 /nfs/dbraw/zinc/30/86/90/569308690.db2.gz QLMXXAQZBRQFBD-UHFFFAOYSA-N 0 0 408.476 2.605 50 0 HFAARN CC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)C3CC3)c2)CC1 ZINC000037600852 569308971 /nfs/dbraw/zinc/30/89/71/569308971.db2.gz ROLRXQFQXXZMKS-UHFFFAOYSA-N 0 0 419.525 2.863 50 0 HFAARN CCCNC(=O)[C@H](C)OC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007838802 569313958 /nfs/dbraw/zinc/31/39/58/569313958.db2.gz ZEFLADGNCIGFPX-INIZCTEOSA-N 0 0 418.515 2.892 50 0 HFAARN Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)cc2nc1C ZINC000007840586 569314016 /nfs/dbraw/zinc/31/40/16/569314016.db2.gz SLIZAHWIHSFLNN-HNNXBMFYSA-N 0 0 406.442 2.818 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000007889110 569315248 /nfs/dbraw/zinc/31/52/48/569315248.db2.gz LLWAKXMTWHKSFA-UHFFFAOYSA-N 0 0 412.511 2.525 50 0 HFAARN CCN(CC)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000002064957 569320498 /nfs/dbraw/zinc/32/04/98/569320498.db2.gz JTAKDIRTPGQORH-UHFFFAOYSA-N 0 0 406.504 2.768 50 0 HFAARN CCN(CC(=O)Nc1ccccc1OC)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000007906166 569320600 /nfs/dbraw/zinc/32/06/00/569320600.db2.gz OEUISDBPJVNVSU-UHFFFAOYSA-N 0 0 401.463 2.570 50 0 HFAARN COc1ccc(/C=C/C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000003561912 569321119 /nfs/dbraw/zinc/32/11/19/569321119.db2.gz LRGGAGILNKZKTP-SOFGYWHQSA-N 0 0 407.517 2.978 50 0 HFAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000002720389 569322359 /nfs/dbraw/zinc/32/23/59/569322359.db2.gz SNWIQOXAXRBLNG-UHFFFAOYSA-N 0 0 410.883 2.783 50 0 HFAARN CCS(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)CC)CC(C)(C)CC1=O ZINC000004945014 569323403 /nfs/dbraw/zinc/32/34/03/569323403.db2.gz DYEOPAMATWHUSA-UHFFFAOYSA-N 0 0 412.533 2.756 50 0 HFAARN CC(=O)Nc1ccc(-n2cc3c(c2-c2cccc(C)c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000002244888 569323814 /nfs/dbraw/zinc/32/38/14/569323814.db2.gz ARMFTJFLYZDPOD-UHFFFAOYSA-N 0 0 402.454 2.962 50 0 HFAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000004064444 569356893 /nfs/dbraw/zinc/35/68/93/569356893.db2.gz AZCNJEFLSOQGST-SEYGEAQASA-N 0 0 404.503 2.641 50 0 biogenic HFAARN COc1cccc2cc(C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn43)oc21 ZINC000253404443 569365803 /nfs/dbraw/zinc/36/58/03/569365803.db2.gz RAVHJDABZXPDGO-UHFFFAOYSA-N 0 0 404.386 2.773 50 0 HFAARN COc1ccc(F)cc1CN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000253406040 569366012 /nfs/dbraw/zinc/36/60/12/569366012.db2.gz 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CCN(CC)S(=O)(=O)c1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 ZINC000055049485 569376333 /nfs/dbraw/zinc/37/63/33/569376333.db2.gz DGLAMLGDCQQMIS-UHFFFAOYSA-N 0 0 409.533 2.835 50 0 HFAARN O=S(=O)(N[C@@H](Cn1nccn1)c1ccccc1)c1ccccc1Br ZINC000253471475 569380983 /nfs/dbraw/zinc/38/09/83/569380983.db2.gz CSIKBORKOVTTEE-HNNXBMFYSA-N 0 0 407.293 2.760 50 0 HFAARN O=C(NCc1nnc2ccc(-c3ccsc3)nn21)c1cccc(-n2cccn2)c1 ZINC000253473332 569381565 /nfs/dbraw/zinc/38/15/65/569381565.db2.gz UFUYVXWDYQCLFK-UHFFFAOYSA-N 0 0 401.455 2.969 50 0 HFAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N=c1sccn1C ZINC000253618289 569383246 /nfs/dbraw/zinc/38/32/46/569383246.db2.gz NXVTZVBIASWRRF-QGZVFWFLSA-N 0 0 403.529 2.670 50 0 HFAARN COc1cn(CC(=O)NCCn2ccc3cc(Br)ccc32)c(C)cc1=O ZINC000253407894 569388931 /nfs/dbraw/zinc/38/89/31/569388931.db2.gz KGVKWSQYSPYFKY-UHFFFAOYSA-N 0 0 418.291 2.699 50 0 HFAARN CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000002384534 569391865 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CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)NCCO)c2ccccc21 ZINC000002438362 569400025 /nfs/dbraw/zinc/40/00/25/569400025.db2.gz DWJIGLYWXIMTGR-RGEXLXHISA-N 0 0 407.470 2.549 50 0 HFAARN CC(C)COC(=O)[C@@H]1[C@@H](c2cccc(O)c2)[C@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O ZINC000012661053 569402606 /nfs/dbraw/zinc/40/26/06/569402606.db2.gz ILBYLONDTKJWFO-SRYPRDQNSA-N 0 0 420.502 2.830 50 0 biogenic HFAARN CNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000012751722 569403051 /nfs/dbraw/zinc/40/30/51/569403051.db2.gz WIVPGHAJFPKQJZ-UHFFFAOYSA-N 0 0 415.515 2.863 50 0 HFAARN O=C1C2=C(CN1C[C@H]1CCCO1)NC(=O)N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000012879417 569404438 /nfs/dbraw/zinc/40/44/38/569404438.db2.gz RGVJSIJFNXJOCH-DENIHFKCSA-N 0 0 419.481 2.895 50 0 HFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)c1cccc(OC)c1 ZINC000013010224 569407248 /nfs/dbraw/zinc/40/72/48/569407248.db2.gz HLLYGVDOKHOAFL-UHFFFAOYSA-N 0 0 407.426 2.979 50 0 HFAARN Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000013062814 569408351 /nfs/dbraw/zinc/40/83/51/569408351.db2.gz UKNLXZDETWZCTE-UHFFFAOYSA-N 0 0 412.881 2.738 50 0 HFAARN Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013069366 569408497 /nfs/dbraw/zinc/40/84/97/569408497.db2.gz QQEBUXUKHQCAHV-UHFFFAOYSA-N 0 0 416.421 2.878 50 0 HFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(O)c1 ZINC000013108013 569409131 /nfs/dbraw/zinc/40/91/31/569409131.db2.gz OMFRBXQGFKDIOQ-UHFFFAOYSA-N 0 0 418.393 2.906 50 0 HFAARN O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C(=O)N2[C@@H]3CC[C@H]2CC(=O)C3)C1 ZINC000328592112 569415272 /nfs/dbraw/zinc/41/52/72/569415272.db2.gz UXJMDXRTXBNUSI-KFWWJZLASA-N 0 0 406.429 2.863 50 0 HFAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000328594953 569415865 /nfs/dbraw/zinc/41/58/65/569415865.db2.gz GPZUNFDMGAAZIL-IAGOWNOFSA-N 0 0 408.424 2.933 50 0 HFAARN O=C(CN1CCC(=O)NC1=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000078871911 569421076 /nfs/dbraw/zinc/42/10/76/569421076.db2.gz IEQAJSOWCQVZFT-SFHVURJKSA-N 0 0 416.275 2.597 50 0 HFAARN C[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1 ZINC000078876379 569421201 /nfs/dbraw/zinc/42/12/01/569421201.db2.gz SPOKCVPLDOZRHO-NSHDSACASA-N 0 0 424.320 2.679 50 0 HFAARN Cc1cc(-n2cncn2)ccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000078877958 569421259 /nfs/dbraw/zinc/42/12/59/569421259.db2.gz HEBZZQUZORCWBV-NRFANRHFSA-N 0 0 409.465 2.518 50 0 HFAARN O=C(Nc1ccc2ncccc2c1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000078903132 569421538 /nfs/dbraw/zinc/42/15/38/569421538.db2.gz QDKXREDARXKQJR-UHFFFAOYSA-N 0 0 412.402 2.983 50 0 HFAARN COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1OC ZINC000079059893 569426188 /nfs/dbraw/zinc/42/61/88/569426188.db2.gz DSAWGRFJXXZGQF-LJQANCHMSA-N 0 0 411.502 2.594 50 0 HFAARN Cc1c([C@@H](C)NCc2cnn([C@@H]3CCS(=O)(=O)C3)c2)cnn1-c1ccc(F)cc1 ZINC000079100163 569427390 /nfs/dbraw/zinc/42/73/90/569427390.db2.gz DEODPEVSOXHLTF-AUUYWEPGSA-N 0 0 417.510 2.727 50 0 HFAARN O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000079101381 569427479 /nfs/dbraw/zinc/42/74/79/569427479.db2.gz RLAQLUHTZJYPJR-ZDUSSCGKSA-N 0 0 407.396 2.724 50 0 HFAARN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N2CCOCC2)cc1OC ZINC000019727410 569429030 /nfs/dbraw/zinc/42/90/30/569429030.db2.gz FKVYHPQLIKXCRR-RGEXLXHISA-N 0 0 410.470 2.642 50 0 HFAARN Cn1ccnc1C(=O)c1cccc(NC(=O)c2ccc(Cl)c(-n3cnnn3)c2)c1 ZINC000079486748 569432157 /nfs/dbraw/zinc/43/21/57/569432157.db2.gz XWFVYRLIUKGELN-UHFFFAOYSA-N 0 0 407.821 2.533 50 0 HFAARN O=C(NCc1ccc(F)cc1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000012756647 571044740 /nfs/dbraw/zinc/04/47/40/571044740.db2.gz JYRKNMHPIGGKJP-UHFFFAOYSA-N 0 0 405.495 3.000 50 0 HFAARN COc1ccc(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cn2)cc1 ZINC000067240349 571052128 /nfs/dbraw/zinc/05/21/28/571052128.db2.gz BBFDZCLRORNUQZ-UHFFFAOYSA-N 0 0 400.431 2.992 50 0 HFAARN CC(C)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc1 ZINC000067245822 571054321 /nfs/dbraw/zinc/05/43/21/571054321.db2.gz KIQHMDUJSGOJNV-UHFFFAOYSA-N 0 0 417.531 2.785 50 0 HFAARN CCOc1ccccc1-n1ccn(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c1=O ZINC000067256668 571056216 /nfs/dbraw/zinc/05/62/16/571056216.db2.gz YDZPBCPMKXXNED-SFHVURJKSA-N 0 0 421.497 2.535 50 0 HFAARN CCc1ccc(-n2c(=O)nc3nc(NCc4ccc5c(c4)OCO5)[nH]cc-3c2=O)cc1 ZINC000067263570 571062150 /nfs/dbraw/zinc/06/21/50/571062150.db2.gz VMZQBLCSNDHLQK-UHFFFAOYSA-N 0 0 417.425 2.785 50 0 HFAARN COc1ccc(-n2c(=O)nc3nc(NCc4ccc(F)cc4F)[nH]cc-3c2=O)cc1 ZINC000067263525 571062155 /nfs/dbraw/zinc/06/21/55/571062155.db2.gz VZLHSBVQBFHQJI-UHFFFAOYSA-N 0 0 411.368 2.780 50 0 HFAARN CC(C)[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000008506784 571062884 /nfs/dbraw/zinc/06/28/84/571062884.db2.gz UFGUZJYBNFHKKY-OAQYLSRUSA-N 0 0 411.433 2.820 50 0 HFAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2n[nH]c(=O)n2C2CC2)C1=O ZINC000008504038 571062894 /nfs/dbraw/zinc/06/28/94/571062894.db2.gz APRINNRHHOVISW-AWEZNQCLSA-N 0 0 406.895 2.873 50 0 HFAARN Cc1csc(=O)n1CC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000008511461 571067163 /nfs/dbraw/zinc/06/71/63/571067163.db2.gz RKRHEAIELCWZTN-UHFFFAOYSA-N 0 0 400.529 2.872 50 0 HFAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(C(N)=O)cc3)oc21 ZINC000067293826 571069395 /nfs/dbraw/zinc/06/93/95/571069395.db2.gz RHMRWSCSRINPLN-PIHGLKBESA-N 0 0 421.453 2.682 50 0 HFAARN CCc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)cc1 ZINC000067300419 571073709 /nfs/dbraw/zinc/07/37/09/571073709.db2.gz RYXUITJMUVXMBI-UHFFFAOYSA-N 0 0 405.498 2.632 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1C ZINC000067301144 571074274 /nfs/dbraw/zinc/07/42/74/571074274.db2.gz CDSAONIURLACHD-UHFFFAOYSA-N 0 0 423.488 2.826 50 0 HFAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 ZINC000038731431 571075447 /nfs/dbraw/zinc/07/54/47/571075447.db2.gz AMCKHTOKKWHMMO-CVEARBPZSA-N 0 0 408.479 2.943 50 0 HFAARN COc1ccccc1-n1ccn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1=O ZINC000067319332 571076628 /nfs/dbraw/zinc/07/66/28/571076628.db2.gz FIKZTLHUUPMTOC-UHFFFAOYSA-N 0 0 420.252 2.953 50 0 HFAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)nnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000067322810 571078377 /nfs/dbraw/zinc/07/83/77/571078377.db2.gz JBMFSYYPYYFTKV-UHFFFAOYSA-N 0 0 411.393 2.654 50 0 HFAARN Cc1c(C(=O)Nc2c(C)cccc2C)nnn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000067322854 571078419 /nfs/dbraw/zinc/07/84/19/571078419.db2.gz OGZORINKYWWKGY-UHFFFAOYSA-N 0 0 407.430 2.823 50 0 HFAARN Cc1cccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)c(N)n3)CC2)c1 ZINC000067336442 571080076 /nfs/dbraw/zinc/08/00/76/571080076.db2.gz VJPFNIGAKRXRDM-UHFFFAOYSA-N 0 0 402.502 2.624 50 0 HFAARN COc1ccc(NC(=O)CCc2nnc3n2c2ccsc2c(=O)n3C)cc1Cl ZINC000008592199 571086229 /nfs/dbraw/zinc/08/62/29/571086229.db2.gz AVTPUWSUMNPJBS-UHFFFAOYSA-N 0 0 417.878 2.876 50 0 HFAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000008598255 571088489 /nfs/dbraw/zinc/08/84/89/571088489.db2.gz SCJXQISIBOEHLV-CQSZACIVSA-N 0 0 424.454 2.761 50 0 HFAARN COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1Cl ZINC000038850258 571088503 /nfs/dbraw/zinc/08/85/03/571088503.db2.gz VMBPXQMLOPFQHI-QGZVFWFLSA-N 0 0 410.879 2.904 50 0 HFAARN C[C@H](Sc1nnc(Cc2cccc3ccccc32)n1N)C(=O)NC[C@@H]1CCCO1 ZINC000008657664 571099501 /nfs/dbraw/zinc/09/95/01/571099501.db2.gz PEXYSNCTMRIQCC-YOEHRIQHSA-N 0 0 411.531 2.512 50 0 HFAARN Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000008661382 571099804 /nfs/dbraw/zinc/09/98/04/571099804.db2.gz YTFVVCXHVRAAIB-UHFFFAOYSA-N 0 0 417.350 2.804 50 0 HFAARN Cc1sc2nc(CCNC(=O)CN3CCOc4ccccc4C3)[nH]c(=O)c2c1C ZINC000670473393 571105869 /nfs/dbraw/zinc/10/58/69/571105869.db2.gz UNCFHXITCAVMFZ-UHFFFAOYSA-N 0 0 412.515 2.567 50 0 HFAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000008734119 571109332 /nfs/dbraw/zinc/10/93/32/571109332.db2.gz IWQNMRGUOWMNBS-IVZQSRNASA-N 0 0 414.506 2.608 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000008753820 571112805 /nfs/dbraw/zinc/11/28/05/571112805.db2.gz RVSRVYMYEQBOIA-QGZVFWFLSA-N 0 0 419.817 2.864 50 0 HFAARN Cc1coc2cc3oc(=O)c(CC(=O)NCCNC(=O)c4ccncc4)c(C)c3cc12 ZINC000008764254 571114669 /nfs/dbraw/zinc/11/46/69/571114669.db2.gz JNNYYVYTUWCHPU-UHFFFAOYSA-N 0 0 419.437 2.640 50 0 biogenic HFAARN Cc1c(S(=O)(=O)CCNC(=O)NCc2ccc(F)cc2)c2ccccc2n1C ZINC000008808518 571121099 /nfs/dbraw/zinc/12/10/99/571121099.db2.gz KFZLUAHEABJJFG-UHFFFAOYSA-N 0 0 403.479 2.899 50 0 HFAARN O=C(NCCc1ccc(Cl)cc1)c1cnc2sc(N3CCCCC3)nn2c1=O ZINC000008831227 571122765 /nfs/dbraw/zinc/12/27/65/571122765.db2.gz VMRWTLGFWZHQKH-UHFFFAOYSA-N 0 0 417.922 2.767 50 0 HFAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008855718 571127947 /nfs/dbraw/zinc/12/79/47/571127947.db2.gz SCCOKPMSTRAMLM-QGZVFWFLSA-N 0 0 421.544 2.582 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c(O)cc(O)cc4oc3=O)c2c1 ZINC000008877807 571130810 /nfs/dbraw/zinc/13/08/10/571130810.db2.gz GCLXFCMBADQANU-UHFFFAOYSA-N 0 0 422.437 2.904 50 0 biogenic HFAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC(O)CC4)c12)OC(C)(C)CC3 ZINC000008879796 571131069 /nfs/dbraw/zinc/13/10/69/571131069.db2.gz QKZRDLVHQACNMX-UHFFFAOYSA-N 0 0 401.459 2.567 50 0 biogenic HFAARN CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000008879733 571131088 /nfs/dbraw/zinc/13/10/88/571131088.db2.gz GATMNTFGDROJOR-SFHVURJKSA-N 0 0 410.499 2.741 50 0 HFAARN C[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)NC(=O)NC1CC1 ZINC000040017784 571139166 /nfs/dbraw/zinc/13/91/66/571139166.db2.gz NRUUFVSGDIQTOR-DGCLKSJQSA-N 0 0 421.548 2.654 50 0 HFAARN CCc1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(C(C)=O)cc3)sc2c1 ZINC000040020001 571139389 /nfs/dbraw/zinc/13/93/89/571139389.db2.gz BGNKFEOSFFPUHY-UHFFFAOYSA-N 0 0 417.512 2.978 50 0 HFAARN COc1cccc(-c2nnn(CC(=O)Nc3ccccc3OCC(F)(F)F)n2)c1 ZINC000040040822 571142782 /nfs/dbraw/zinc/14/27/82/571142782.db2.gz LVDKIYFBYNWMPJ-UHFFFAOYSA-N 0 0 407.352 2.929 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1 ZINC000040042815 571142882 /nfs/dbraw/zinc/14/28/82/571142882.db2.gz OOGDUMUTNAWSJW-WBVHZDCISA-N 0 0 412.442 2.905 50 0 HFAARN COc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000008901770 571145002 /nfs/dbraw/zinc/14/50/02/571145002.db2.gz BRJBVOMHKIGSND-CYBMUJFWSA-N 0 0 424.486 2.527 50 0 HFAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000040060362 571147176 /nfs/dbraw/zinc/14/71/76/571147176.db2.gz VCRUSMVWXHLVDK-UHFFFAOYSA-N 0 0 408.433 2.618 50 0 HFAARN CS(=O)(=O)NC[C@H]1CCCCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040072435 571153026 /nfs/dbraw/zinc/15/30/26/571153026.db2.gz XRWZADNPEUCKBN-CQSZACIVSA-N 0 0 418.441 2.659 50 0 HFAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(F)c2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000008917531 571153511 /nfs/dbraw/zinc/15/35/11/571153511.db2.gz YHAGZIDDXZZYCD-KDOFPFPSSA-N 0 0 413.426 2.664 50 0 HFAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000040073607 571153922 /nfs/dbraw/zinc/15/39/22/571153922.db2.gz YAOOKLVPUDPYIS-DLBZAZTESA-N 0 0 422.478 2.597 50 0 HFAARN O=C(NCc1nnc2ccccn21)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000040079588 571154979 /nfs/dbraw/zinc/15/49/79/571154979.db2.gz BNBHNQUOKSRSEB-HNNXBMFYSA-N 0 0 418.284 2.957 50 0 HFAARN Cc1ccc(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1S(N)(=O)=O ZINC000040082818 571156487 /nfs/dbraw/zinc/15/64/87/571156487.db2.gz HHEMPDJLLGSUGX-HOTGVXAUSA-N 0 0 417.531 2.504 50 0 HFAARN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCc1cccc(Cl)c1 ZINC000040086796 571157374 /nfs/dbraw/zinc/15/73/74/571157374.db2.gz STTUXHBSRGVZQS-UHFFFAOYSA-N 0 0 409.939 2.826 50 0 HFAARN Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1C ZINC000040087799 571158380 /nfs/dbraw/zinc/15/83/80/571158380.db2.gz GDPQYIXGONGFAA-UHFFFAOYSA-N 0 0 417.531 2.759 50 0 HFAARN Cn1c(=O)c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2[n-]c1=S ZINC000008924938 571160033 /nfs/dbraw/zinc/16/00/33/571160033.db2.gz NEOFRFKAVDDYGW-UHFFFAOYSA-N 0 0 408.527 2.748 50 0 HFAARN C[C@H]1CN(C(=O)C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000040090534 571160782 /nfs/dbraw/zinc/16/07/82/571160782.db2.gz HMUXHLMEQRIKIO-GJZGRUSLSA-N 0 0 423.351 2.866 50 0 HFAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008935910 571163741 /nfs/dbraw/zinc/16/37/41/571163741.db2.gz DJBCRHKCTFFSEI-HNNXBMFYSA-N 0 0 412.515 2.867 50 0 HFAARN COC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000040104139 571165008 /nfs/dbraw/zinc/16/50/08/571165008.db2.gz ZWMOXOOMQUBICZ-UHFFFAOYSA-N 0 0 407.373 2.513 50 0 HFAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccc(F)cc1 ZINC000008940774 571166940 /nfs/dbraw/zinc/16/69/40/571166940.db2.gz VJWKDPNSIQCSRH-UHFFFAOYSA-N 0 0 402.499 2.868 50 0 HFAARN O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N(C[C@@H]1CCOC1)C1CC1 ZINC000040107948 571167825 /nfs/dbraw/zinc/16/78/25/571167825.db2.gz IDNDZLQJSUTRFL-HNNXBMFYSA-N 0 0 420.556 2.868 50 0 HFAARN C[C@@H]1Cc2cc(C3=NNC(=NCc4ccco4)SC3)ccc2N1S(C)(=O)=O ZINC000008943954 571170176 /nfs/dbraw/zinc/17/01/76/571170176.db2.gz MSIKPZMTAHGTLG-GFCCVEGCSA-N 0 0 404.517 2.587 50 0 HFAARN COCc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c1 ZINC000040114016 571171848 /nfs/dbraw/zinc/17/18/48/571171848.db2.gz VKDVFBYYJRWKDC-UHFFFAOYSA-N 0 0 402.516 2.984 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000040114380 571172120 /nfs/dbraw/zinc/17/21/20/571172120.db2.gz KMPYJPXPGPKSAF-UHFFFAOYSA-N 0 0 418.471 2.656 50 0 HFAARN CN(c1ccccc1)c1ccccc1NC(=O)CCn1cnc2c(cnn2C)c1=O ZINC000040114556 571172290 /nfs/dbraw/zinc/17/22/90/571172290.db2.gz QTLNIDUVIFCUJN-UHFFFAOYSA-N 0 0 402.458 2.927 50 0 HFAARN CSc1nc2c(cnn2CCNC(=O)Cc2cccs2)c(N2CCCC2)n1 ZINC000008946817 571172295 /nfs/dbraw/zinc/17/22/95/571172295.db2.gz YVRVOTLWKQQRMF-UHFFFAOYSA-N 0 0 402.549 2.569 50 0 HFAARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NCc2cccs2)C1=O ZINC000040116761 571174168 /nfs/dbraw/zinc/17/41/68/571174168.db2.gz CRDOWJIKQWKQSQ-KRWDZBQOSA-N 0 0 411.405 2.850 50 0 HFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000040119133 571175287 /nfs/dbraw/zinc/17/52/87/571175287.db2.gz ODDPVEHXYZFBQE-LBPRGKRZSA-N 0 0 418.498 2.731 50 0 HFAARN COc1ccc(Cc2nnc(SCc3cc(=O)n4nc(C)sc4n3)o2)cc1 ZINC000040119282 571175292 /nfs/dbraw/zinc/17/52/92/571175292.db2.gz IFYRBNGNUPJOER-UHFFFAOYSA-N 0 0 401.473 2.734 50 0 HFAARN CCOC(=O)N(C)CC(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040121243 571177231 /nfs/dbraw/zinc/17/72/31/571177231.db2.gz ZYEDPVDZCSCWDV-HNNXBMFYSA-N 0 0 415.412 2.573 50 0 HFAARN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040122113 571178280 /nfs/dbraw/zinc/17/82/80/571178280.db2.gz AXYAIXILSFATEB-LJQANCHMSA-N 0 0 407.518 2.522 50 0 HFAARN O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000008954707 571181074 /nfs/dbraw/zinc/18/10/74/571181074.db2.gz ZMKUXZWKOMWMHY-UHFFFAOYSA-N 0 0 414.270 2.789 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(N3CCCCC3=O)c2)C1 ZINC000040133640 571186183 /nfs/dbraw/zinc/18/61/83/571186183.db2.gz QHZOECNZQJGSJQ-INIZCTEOSA-N 0 0 407.536 2.594 50 0 HFAARN Cc1cccc2c(=O)n(CC(=O)Nc3cccc(OCCn4ccnc4)c3)cnc12 ZINC000040134885 571187946 /nfs/dbraw/zinc/18/79/46/571187946.db2.gz XXTDCMHYJSSGHB-UHFFFAOYSA-N 0 0 403.442 2.619 50 0 HFAARN CCN1CCOc2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc2C1=O ZINC000008961660 571190012 /nfs/dbraw/zinc/19/00/12/571190012.db2.gz VQXVXJZKMBONIN-UHFFFAOYSA-N 0 0 404.488 2.534 50 0 HFAARN CCN1CCOc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc2C1=O ZINC000008961630 571190100 /nfs/dbraw/zinc/19/01/00/571190100.db2.gz IDVBFCJSJRJHHK-UHFFFAOYSA-N 0 0 417.487 2.609 50 0 HFAARN C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000040142181 571193095 /nfs/dbraw/zinc/19/30/95/571193095.db2.gz IANKNYAGTPUKGE-IUODEOHRSA-N 0 0 405.296 2.795 50 0 HFAARN COc1cc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c(C(=O)N(C)C)cc1OC ZINC000040145693 571195939 /nfs/dbraw/zinc/19/59/39/571195939.db2.gz FBNQCIMWLRHGEM-GOSISDBHSA-N 0 0 417.510 2.839 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000040146141 571195950 /nfs/dbraw/zinc/19/59/50/571195950.db2.gz GQUQNMJUOKTJGS-UHFFFAOYSA-N 0 0 406.891 2.683 50 0 HFAARN Cc1sc2ncnc(NCC(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2c1C ZINC000008980640 571198490 /nfs/dbraw/zinc/19/84/90/571198490.db2.gz XTNJYPQMRSFBRE-UHFFFAOYSA-N 0 0 415.563 2.971 50 0 HFAARN C[C@H](Cn1ccnc1)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000040154169 571201428 /nfs/dbraw/zinc/20/14/28/571201428.db2.gz BNCGRDDQHKNJSO-MRXNPFEDSA-N 0 0 404.536 2.655 50 0 HFAARN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)C1 ZINC000040154392 571201567 /nfs/dbraw/zinc/20/15/67/571201567.db2.gz XJBISKRTADYTIV-HNNXBMFYSA-N 0 0 403.548 2.838 50 0 HFAARN O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000040154737 571202158 /nfs/dbraw/zinc/20/21/58/571202158.db2.gz QRNXCNKHGILEFE-FQEVSTJZSA-N 0 0 414.937 2.847 50 0 HFAARN C[C@@H]1CN(C(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)C[C@@H](C)O1 ZINC000009010657 571210336 /nfs/dbraw/zinc/21/03/36/571210336.db2.gz OYQFPBJSSFCDDQ-IAGOWNOFSA-N 0 0 410.470 2.756 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccncc3Cl)CC2)cc1 ZINC000244933091 571210464 /nfs/dbraw/zinc/21/04/64/571210464.db2.gz CASTVYWYWRZTIY-UHFFFAOYSA-N 0 0 423.922 2.669 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)NCCn3cc(-c4ccccc4)cn3)CC2=O)cc1 ZINC000244986195 571211960 /nfs/dbraw/zinc/21/19/60/571211960.db2.gz JJUIAJWGSHZXPQ-GOSISDBHSA-N 0 0 404.470 2.728 50 0 HFAARN O=C1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1c1ccccc1 ZINC000009035295 571213307 /nfs/dbraw/zinc/21/33/07/571213307.db2.gz FWRWLGSUXFOZHY-ZDUSSCGKSA-N 0 0 409.305 2.781 50 0 HFAARN CCOc1ccc(Br)cc1S(=O)(=O)N(C)c1ccccc1C(N)=O ZINC000009050061 571216081 /nfs/dbraw/zinc/21/60/81/571216081.db2.gz UMNWYWXTRPKLRI-UHFFFAOYSA-N 0 0 413.293 2.772 50 0 HFAARN CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000245224761 571217456 /nfs/dbraw/zinc/21/74/56/571217456.db2.gz DDXKRGOMRMMIIJ-GBXCKJPGSA-N 0 0 420.513 2.580 50 0 HFAARN COc1cccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000009068239 571218199 /nfs/dbraw/zinc/21/81/99/571218199.db2.gz IDZHQKATGIGOGK-UHFFFAOYSA-N 0 0 413.493 2.844 50 0 HFAARN COC(=O)c1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000009068096 571218302 /nfs/dbraw/zinc/21/83/02/571218302.db2.gz VKAOCVMZTCGXCZ-UHFFFAOYSA-N 0 0 413.449 2.902 50 0 HFAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)N2CCOCC2)cc1 ZINC000009073620 571218720 /nfs/dbraw/zinc/21/87/20/571218720.db2.gz ZNQDHGOWACPYSF-OAHLLOKOSA-N 0 0 401.488 2.683 50 0 HFAARN CCCCNC(=O)[C@H]1CN(C(=S)NCC)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000040400238 571221213 /nfs/dbraw/zinc/22/12/13/571221213.db2.gz OQHDAJRNABZGHN-CVEARBPZSA-N 0 0 423.579 2.539 50 0 HFAARN Cn1ccsc1=NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000245284632 571223013 /nfs/dbraw/zinc/22/30/13/571223013.db2.gz SPCNPLUPXUNOCZ-UHFFFAOYSA-N 0 0 415.540 2.768 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1Cc1ccco1 ZINC000009123818 571225922 /nfs/dbraw/zinc/22/59/22/571225922.db2.gz OMBYIKWGQCLIKV-UHFFFAOYSA-N 0 0 423.860 2.801 50 0 HFAARN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000069413005 571227704 /nfs/dbraw/zinc/22/77/04/571227704.db2.gz NLRUYKGHPPFBAI-LJQANCHMSA-N 0 0 402.853 2.905 50 0 HFAARN CSc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000009151627 571230487 /nfs/dbraw/zinc/23/04/87/571230487.db2.gz RJKIWEYKMMQKKR-GFCCVEGCSA-N 0 0 420.512 2.930 50 0 HFAARN C[C@@H](CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151590 571230554 /nfs/dbraw/zinc/23/05/54/571230554.db2.gz UPMQCADTMOORDH-LBPRGKRZSA-N 0 0 422.890 2.540 50 0 HFAARN Cn1cnc2c1c1cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc1oc2=O ZINC000009153056 571231399 /nfs/dbraw/zinc/23/13/99/571231399.db2.gz IKBDIHCZXCJTGJ-UHFFFAOYSA-N 0 0 417.874 2.854 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173140 571234135 /nfs/dbraw/zinc/23/41/35/571234135.db2.gz MCYFPRXSIUFXLF-UHFFFAOYSA-N 0 0 403.460 2.803 50 0 HFAARN Cc1csc2nc(CN3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)cc(=O)n12 ZINC000009209322 571236655 /nfs/dbraw/zinc/23/66/55/571236655.db2.gz RREROLPASOMYLI-LJQANCHMSA-N 0 0 424.526 2.845 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HFAARN COC(=O)c1sc2nc(C)n(C[C@@H](O)COc3ccc(C)cc3C)c(=O)c2c1C ZINC000032809011 522431529 /nfs/dbraw/zinc/43/15/29/522431529.db2.gz UHKTYBAPIWMNSH-OAHLLOKOSA-N 0 0 416.499 2.918 50 0 HFAARN COC(OC)[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000390832713 522536822 /nfs/dbraw/zinc/53/68/22/522536822.db2.gz LTEURUKAUGVCGJ-YGRLFVJLSA-N 0 0 423.362 2.969 50 0 HFAARN COC(OC)[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000390832712 522537779 /nfs/dbraw/zinc/53/77/79/522537779.db2.gz LTEURUKAUGVCGJ-QMTHXVAHSA-N 0 0 423.362 2.969 50 0 HFAARN COc1cc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc(OC)c1OC ZINC000032123774 522656477 /nfs/dbraw/zinc/65/64/77/522656477.db2.gz UCQOQWYXVZZKTF-HNNXBMFYSA-N 0 0 413.430 2.831 50 0 biogenic HFAARN CNc1nc(NCC(C)C)nc(-n2cnc(SCCOc3ccccc3)n2)n1 ZINC000032598638 522688504 /nfs/dbraw/zinc/68/85/04/522688504.db2.gz NDSOJRHWSPFOEB-UHFFFAOYSA-N 0 0 400.512 2.733 50 0 HFAARN COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc(OC)c1OC ZINC000020578743 522757034 /nfs/dbraw/zinc/75/70/34/522757034.db2.gz VIOQSUQDHHAPDL-UHFFFAOYSA-N 0 0 406.460 2.788 50 0 HFAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)cc1Cl ZINC000032104858 522813019 /nfs/dbraw/zinc/81/30/19/522813019.db2.gz KZHFEWVETZEKLP-LBPRGKRZSA-N 0 0 416.869 2.650 50 0 HFAARN COc1cc2ncn(CCC(=O)NCCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000032124213 523069642 /nfs/dbraw/zinc/06/96/42/523069642.db2.gz RQLUOQBDHRJBDI-UHFFFAOYSA-N 0 0 420.469 2.644 50 0 biogenic HFAARN COCCCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2C1=O ZINC000032092973 523292501 /nfs/dbraw/zinc/29/25/01/523292501.db2.gz YFJRDUUETHUMPA-HXUWFJFHSA-N 0 0 408.454 2.533 50 0 HFAARN COCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@@H](C(=O)c3cccs3)[C@H]2C1=O ZINC000247889826 523292796 /nfs/dbraw/zinc/29/27/96/523292796.db2.gz SUTNMNSFISDCJM-FRYIKTPZSA-N 0 0 422.506 2.853 50 0 HFAARN COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O ZINC000044841214 523495760 /nfs/dbraw/zinc/49/57/60/523495760.db2.gz CITXUCUJPGNINK-UHFFFAOYSA-N 0 0 419.840 2.631 50 0 HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000032768246 523596545 /nfs/dbraw/zinc/59/65/45/523596545.db2.gz CZJBPKAVPTXUNK-AZUAARDMSA-N 0 0 409.486 2.831 50 0 HFAARN CCc1c(C(=O)Nc2nc(CN3CCCCC3)cs2)cnn1-c1ccc(=O)[nH]n1 ZINC000032786796 523706638 /nfs/dbraw/zinc/70/66/38/523706638.db2.gz SZGLWGVBZGJVRE-UHFFFAOYSA-N 0 0 413.507 2.625 50 0 HFAARN CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCCC1 ZINC000032088453 523718838 /nfs/dbraw/zinc/71/88/38/523718838.db2.gz UXRJLSHIHDGBRD-UHFFFAOYSA-N 0 0 411.487 2.859 50 0 HFAARN CC[C@@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1NN ZINC000020289752 523729172 /nfs/dbraw/zinc/72/91/72/523729172.db2.gz OHWKGNDGMIRZPW-IBGZPJMESA-N 0 0 400.508 2.603 50 0 HFAARN COC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000041157232 523899388 /nfs/dbraw/zinc/89/93/88/523899388.db2.gz UYKSDDCKLQPYOZ-JKSUJKDBSA-N 0 0 414.955 2.895 50 0 HFAARN CN1c2ccc(S(=O)(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2C(C)(C)C1=O ZINC000020582257 524032424 /nfs/dbraw/zinc/03/24/24/524032424.db2.gz JORFQXYUMRZIEV-INIZCTEOSA-N 0 0 418.515 2.904 50 0 HFAARN COc1ccc(CNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1OC ZINC000032869086 524045336 /nfs/dbraw/zinc/04/53/36/524045336.db2.gz WZRAUWLOLWXYDQ-UHFFFAOYSA-N 0 0 404.385 2.731 50 0 HFAARN COc1ccc(CNC(=O)[C@@H](C)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000032806182 524062069 /nfs/dbraw/zinc/06/20/69/524062069.db2.gz VFMXWERLHWQZAY-MRXNPFEDSA-N 0 0 408.502 2.680 50 0 HFAARN Cc1ccc(C)c(CS(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000044635667 524105719 /nfs/dbraw/zinc/10/57/19/524105719.db2.gz KXEBOEVMSQSPCU-UHFFFAOYSA-N 0 0 404.507 2.706 50 0 HFAARN Cc1cccc(-c2nn3c(nc(CNC(=O)COc4ccccc4F)cc3=O)s2)c1 ZINC000041078175 524122223 /nfs/dbraw/zinc/12/22/23/524122223.db2.gz FXFRRYKECKFYJF-UHFFFAOYSA-N 0 0 424.457 2.961 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000032104188 524220426 /nfs/dbraw/zinc/22/04/26/524220426.db2.gz VYRZPBFONNRYSF-CQSZACIVSA-N 0 0 415.877 2.847 50 0 HFAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000015934953 524233650 /nfs/dbraw/zinc/23/36/50/524233650.db2.gz KISGODZINSOGRD-QZTJIDSGSA-N 0 0 412.486 2.941 50 0 HFAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O ZINC000040477990 524284015 /nfs/dbraw/zinc/28/40/15/524284015.db2.gz OFSXIWMTDVZQJS-UHFFFAOYSA-N 0 0 422.876 2.945 50 0 HFAARN Cc1cc(C)cc(-n2ncc3c2ncn(C[C@@H](O)COc2ccc(F)cc2)c3=O)c1 ZINC000032760395 524358302 /nfs/dbraw/zinc/35/83/02/524358302.db2.gz ATDOLGPYAGEWOQ-GOSISDBHSA-N 0 0 408.433 2.778 50 0 HFAARN Cc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1C ZINC000000916731 524892231 /nfs/dbraw/zinc/89/22/31/524892231.db2.gz WPJIIJIOYZKNCV-UHFFFAOYSA-N 0 0 419.522 2.557 50 0 HFAARN Cc1cccc2c(=O)[nH]c(COC(=O)C3CCN(C(=O)c4cccs4)CC3)nc12 ZINC000032835978 524923029 /nfs/dbraw/zinc/92/30/29/524923029.db2.gz ISJOBPRYFQPJKW-UHFFFAOYSA-N 0 0 411.483 2.889 50 0 HFAARN Cc1cccc2sc(NC(=O)[C@@H](C)NC3=NS(=O)(=O)c4ccccc43)nc21 ZINC000032855837 524998474 /nfs/dbraw/zinc/99/84/74/524998474.db2.gz HJKRBNYXQXMAPG-LLVKDONJSA-N 0 0 400.485 2.670 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(F)cc3)CC2)cc1 ZINC000032904658 525021882 /nfs/dbraw/zinc/02/18/82/525021882.db2.gz IWQSOXGDXFXZPW-UHFFFAOYSA-N 0 0 420.506 2.736 50 0 HFAARN Cc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1Cl ZINC000032946699 525078289 /nfs/dbraw/zinc/07/82/89/525078289.db2.gz UDLYVSDFARDVIK-UHFFFAOYSA-N 0 0 424.935 2.913 50 0 HFAARN Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000044839851 525125293 /nfs/dbraw/zinc/12/52/93/525125293.db2.gz QJWDUMQRKAJBGZ-INIZCTEOSA-N 0 0 400.504 2.994 50 0 HFAARN Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000043964563 525133326 /nfs/dbraw/zinc/13/33/26/525133326.db2.gz SGTPDRPAQAQXMM-INIZCTEOSA-N 0 0 414.487 2.777 50 0 HFAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000000889656 525148791 /nfs/dbraw/zinc/14/87/91/525148791.db2.gz ZPWADJQEABWEAR-UHFFFAOYSA-N 0 0 423.538 2.955 50 0 HFAARN CS(=O)(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000032770976 525162505 /nfs/dbraw/zinc/16/25/05/525162505.db2.gz TYIAQZJBQRJREK-UHFFFAOYSA-N 0 0 418.359 2.878 50 0 HFAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 ZINC000031817459 525224327 /nfs/dbraw/zinc/22/43/27/525224327.db2.gz QDXLKICLYIIJEF-AWEZNQCLSA-N 0 0 405.483 2.917 50 0 HFAARN Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000020578853 525233751 /nfs/dbraw/zinc/23/37/51/525233751.db2.gz IHNNBZAKBNSMIA-UHFFFAOYSA-N 0 0 401.488 2.577 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000010789692 534847656 /nfs/dbraw/zinc/84/76/56/534847656.db2.gz ABLWLZOHZXIWKG-UHFFFAOYSA-N 0 0 416.424 2.602 50 0 HFAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@H](O)COc2c(C)cccc2C)C1=O ZINC000024865634 525520310 /nfs/dbraw/zinc/52/03/10/525520310.db2.gz KHQKUUSTBGSLEY-MHECFPHRSA-N 0 0 424.497 2.835 50 0 HFAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1nc(COc2ccc(F)cc2)no1 ZINC000032895106 525637590 /nfs/dbraw/zinc/63/75/90/525637590.db2.gz BADXLBPKNOYSKW-UHFFFAOYSA-N 0 0 420.418 2.857 50 0 HFAARN CC(C)(C)OC(=O)NCC1(CC(=O)N2CCN(c3ncccn3)CC2)CCCCC1 ZINC000013685061 534875772 /nfs/dbraw/zinc/87/57/72/534875772.db2.gz PRVARDLSKIOENB-UHFFFAOYSA-N 0 0 417.554 2.991 50 0 HFAARN COc1cccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)c1 ZINC000044889730 525711998 /nfs/dbraw/zinc/71/19/98/525711998.db2.gz WHELFZIKRAFETO-OAQYLSRUSA-N 0 0 405.454 2.519 50 0 HFAARN C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1 ZINC000032904068 525732651 /nfs/dbraw/zinc/73/26/51/525732651.db2.gz RJMAGTBZMYRGNL-CQSZACIVSA-N 0 0 407.561 2.633 50 0 HFAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O ZINC000032906955 525857476 /nfs/dbraw/zinc/85/74/76/525857476.db2.gz RUYCUPPOEDKNOG-QRWLVFNGSA-N 0 0 402.834 2.655 50 0 HFAARN Cc1ccc(-c2noc(CN3CCN(CC[S@@](=O)c4ccccc4)CC3)n2)cc1 ZINC000032937864 525879330 /nfs/dbraw/zinc/87/93/30/525879330.db2.gz CUCUDPFOTQCVMZ-LJAQVGFWSA-N 0 0 410.543 2.970 50 0 HFAARN C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)N1CCc2sccc2C1 ZINC000027436000 525888817 /nfs/dbraw/zinc/88/88/17/525888817.db2.gz PPRHXHYJXJFHHR-OAHLLOKOSA-N 0 0 412.511 2.934 50 0 HFAARN C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC1CCCCCC1 ZINC000032829089 525891486 /nfs/dbraw/zinc/89/14/86/525891486.db2.gz GHGCZPGQNGGGHN-HNNXBMFYSA-N 0 0 408.520 2.611 50 0 HFAARN Cc1c2ccc(OC[C@H](O)CN3CCOCC3)cc2oc(=O)c1Cc1ccccc1 ZINC000032608488 525966240 /nfs/dbraw/zinc/96/62/40/525966240.db2.gz IHQFKSNIOOZCCY-LJQANCHMSA-N 0 0 409.482 2.764 50 0 HFAARN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000032879618 526006910 /nfs/dbraw/zinc/00/69/10/526006910.db2.gz BPEMFQKGOAMGRB-OKZBNKHCSA-N 0 0 407.580 2.607 50 0 HFAARN COc1cccc(CO[C@@H](C)C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000042859153 526054682 /nfs/dbraw/zinc/05/46/82/526054682.db2.gz MOLQCDRSCCWXHY-HNNXBMFYSA-N 0 0 401.463 2.774 50 0 HFAARN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cncn1)C2=O ZINC000032727707 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2.902 50 0 HFAARN CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000034887469 557479547 /nfs/dbraw/zinc/47/95/47/557479547.db2.gz KXJSYRZQYHJIMF-UHFFFAOYSA-N 0 0 419.522 2.642 50 0 HFAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000035306198 557505086 /nfs/dbraw/zinc/50/50/86/557505086.db2.gz ZDLWRWMXJKHWHS-UHFFFAOYSA-N 0 0 405.542 2.926 50 0 HFAARN CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004182987 557525821 /nfs/dbraw/zinc/52/58/21/557525821.db2.gz KSCZOTRTSALMLX-LJQANCHMSA-N 0 0 417.527 2.852 50 0 HFAARN C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000004189416 557526721 /nfs/dbraw/zinc/52/67/21/557526721.db2.gz YLJVLDDAGCWCEB-NNTXTVRGSA-N 0 0 411.252 2.911 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)cc1C ZINC000004413948 557553283 /nfs/dbraw/zinc/55/32/83/557553283.db2.gz FZJGQNRLMOJAFP-GOSISDBHSA-N 0 0 417.531 2.506 50 0 HFAARN COc1ccc(-c2nnn(C3CCN(C(=S)NC4CCCC4)CC3)n2)cc1OC ZINC000004477346 557557597 /nfs/dbraw/zinc/55/75/97/557557597.db2.gz SOFKZAWQWYFPEI-UHFFFAOYSA-N 0 0 416.551 2.811 50 0 HFAARN O=C(NC1CCCCC1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O ZINC000004523762 557563471 /nfs/dbraw/zinc/56/34/71/557563471.db2.gz WRLVVXLUBGRKMK-UHFFFAOYSA-N 0 0 417.421 2.556 50 0 HFAARN CN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000004554998 557566940 /nfs/dbraw/zinc/56/69/40/557566940.db2.gz MQECNQPLCYZCDN-GOSISDBHSA-N 0 0 404.216 2.615 50 0 HFAARN COC(CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br)OC ZINC000004666436 557578631 /nfs/dbraw/zinc/57/86/31/557578631.db2.gz NJGWPQIYNUITKZ-QMMMGPOBSA-N 0 0 411.090 2.714 50 0 HFAARN CCOC(=O)C1=C(COc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000004689217 557581439 /nfs/dbraw/zinc/58/14/39/557581439.db2.gz JSIZYHHHEIKJHC-FQEVSTJZSA-N 0 0 410.426 2.974 50 0 HFAARN Cc1cccc(C(=O)NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)c1 ZINC000004691594 557581822 /nfs/dbraw/zinc/58/18/22/557581822.db2.gz KFJJEXGOQRVWEN-UHFFFAOYSA-N 0 0 423.542 2.505 50 0 HFAARN COc1ccc(OC)c(N2C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)c1 ZINC000004761177 557595608 /nfs/dbraw/zinc/59/56/08/557595608.db2.gz QKUBXYKCLHAJPB-MRXNPFEDSA-N 0 0 414.483 2.779 50 0 HFAARN COC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000004764027 557595937 /nfs/dbraw/zinc/59/59/37/557595937.db2.gz UKSHMMNPSXEPKW-VQTJNVASSA-N 0 0 410.470 2.688 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)[C@H]2c2ccccc2)cc1 ZINC000004778639 557597400 /nfs/dbraw/zinc/59/74/00/557597400.db2.gz YRQFUIBQTIYAPA-JOCHJYFZSA-N 0 0 413.543 2.623 50 0 HFAARN COc1ccc(C(O)=C2[C@@H](c3ccc(O)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004899128 557611241 /nfs/dbraw/zinc/61/12/41/557611241.db2.gz GXUUTOPJQGIEKX-HDMKZQKVSA-N 0 0 410.348 2.505 50 0 HFAARN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC1CCCC1 ZINC000004977947 557619582 /nfs/dbraw/zinc/61/95/82/557619582.db2.gz IWCZNRKZQZTHQF-UHFFFAOYSA-N 0 0 402.516 2.645 50 0 HFAARN COc1ccc(CNC(=O)[C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1 ZINC000005031036 557628141 /nfs/dbraw/zinc/62/81/41/557628141.db2.gz UJAOVBDCEOQSBA-LJQANCHMSA-N 0 0 400.431 2.530 50 0 HFAARN COC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000005051119 557630583 /nfs/dbraw/zinc/63/05/83/557630583.db2.gz VHRKTVITDBXALS-UHFFFAOYSA-N 0 0 410.879 2.527 50 0 HFAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000005478253 557656115 /nfs/dbraw/zinc/65/61/15/557656115.db2.gz IJEURIGROALQDR-UHFFFAOYSA-N 0 0 411.487 2.707 50 0 HFAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)O[C@H](C)C(=O)Nc2ccccc2C)no1 ZINC000010569276 557685018 /nfs/dbraw/zinc/68/50/18/557685018.db2.gz PMHCHRMBNWOSPE-KGLIPLIRSA-N 0 0 405.476 2.922 50 0 HFAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000006151970 557691990 /nfs/dbraw/zinc/69/19/90/557691990.db2.gz VVICRHGQRCSAFW-UHFFFAOYSA-N 0 0 418.515 2.894 50 0 HFAARN Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)C3CC3)c3nc4ccccc4nc32)cc1 ZINC000002374897 557700011 /nfs/dbraw/zinc/70/00/11/557700011.db2.gz JKXROJBYNHLCPM-UHFFFAOYSA-N 0 0 421.482 2.788 50 0 HFAARN COCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002427562 557708295 /nfs/dbraw/zinc/70/82/95/557708295.db2.gz OQGMZUSHCWNRKW-UHFFFAOYSA-N 0 0 404.879 2.902 50 0 HFAARN COC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2cccnc2)n1C ZINC000006698435 557715940 /nfs/dbraw/zinc/71/59/40/557715940.db2.gz JXTRZMHWQQYBRO-UHFFFAOYSA-N 0 0 403.489 2.764 50 0 HFAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC2(CC1)OCCO2 ZINC000006731392 557718019 /nfs/dbraw/zinc/71/80/19/557718019.db2.gz MLNWDLFBROZSAK-UHFFFAOYSA-N 0 0 416.499 2.979 50 0 HFAARN CCCn1c2sc3c(c2c(=O)n(-c2ccc(F)cc2)c1=O)CCN(C(C)=O)C3 ZINC000006805057 557722359 /nfs/dbraw/zinc/72/23/59/557722359.db2.gz RFFTZOICVDGJSK-UHFFFAOYSA-N 0 0 401.463 2.668 50 0 HFAARN CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(C)c2)c1N ZINC000002689076 557740749 /nfs/dbraw/zinc/74/07/49/557740749.db2.gz UNLVWIPAEDULQZ-UHFFFAOYSA-N 0 0 408.462 2.767 50 0 HFAARN CCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)cc1 ZINC000007649274 557753581 /nfs/dbraw/zinc/75/35/81/557753581.db2.gz FMERHJRRMBMOHG-HXUWFJFHSA-N 0 0 410.470 2.550 50 0 HFAARN Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2n1 ZINC000002779102 557761480 /nfs/dbraw/zinc/76/14/80/557761480.db2.gz BSNSMHRXVZQVQP-GHMZBOCLSA-N 0 0 422.411 2.706 50 0 HFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c3cccnc23)CC1 ZINC000002803601 557763041 /nfs/dbraw/zinc/76/30/41/557763041.db2.gz UNFOOTBUQANOCE-UHFFFAOYSA-N 0 0 412.309 2.607 50 0 HFAARN Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)n1 ZINC000002792014 557764301 /nfs/dbraw/zinc/76/43/01/557764301.db2.gz IQUNDGBFAUYGOM-UHFFFAOYSA-N 0 0 403.291 2.764 50 0 HFAARN COc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1 ZINC000007940049 557767857 /nfs/dbraw/zinc/76/78/57/557767857.db2.gz LIYMFZCWSCFYLO-UHFFFAOYSA-N 0 0 405.472 2.658 50 0 HFAARN COc1ccc(CCNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)cc1OC ZINC000002941003 557773580 /nfs/dbraw/zinc/77/35/80/557773580.db2.gz UCACVRFJLAAJEB-UHFFFAOYSA-N 0 0 421.497 2.985 50 0 biogenic HFAARN COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000002973123 557775588 /nfs/dbraw/zinc/77/55/88/557775588.db2.gz BGDCFWXYDVYEOW-UHFFFAOYSA-N 0 0 405.332 2.806 50 0 HFAARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O ZINC000002992907 557779982 /nfs/dbraw/zinc/77/99/82/557779982.db2.gz QWRSJVIKXFRRSE-XFFZJAGNSA-N 0 0 417.224 2.891 50 0 HFAARN CC(=O)Nc1ccc(C(=O)Cn2nc(Br)nc2Br)cc1 ZINC000008296504 557780246 /nfs/dbraw/zinc/78/02/46/557780246.db2.gz GRBIXJCUDDMPEA-UHFFFAOYSA-N 0 0 402.046 2.644 50 0 HFAARN COc1ccc2[nH]c(SCC(=O)N3CCN(C(=O)c4ccc(C)cc4)C3)nc2c1 ZINC000008310808 557780781 /nfs/dbraw/zinc/78/07/81/557780781.db2.gz ZBHHHFRVVSNADP-UHFFFAOYSA-N 0 0 410.499 2.914 50 0 HFAARN COc1cc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc(OC)c1OC ZINC000008453202 557791199 /nfs/dbraw/zinc/79/11/99/557791199.db2.gz IZEROGYDFNFIHN-UHFFFAOYSA-N 0 0 423.458 2.672 50 0 HFAARN C[C@H](O)CNC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000097403785 557791734 /nfs/dbraw/zinc/79/17/34/557791734.db2.gz PLPKVPHUEFIPKX-NSHDSACASA-N 0 0 424.238 2.654 50 0 HFAARN COc1ccc(CCNC(=O)C(=O)Nc2cccc(Br)c2)cc1OC ZINC000003061944 557793682 /nfs/dbraw/zinc/79/36/82/557793682.db2.gz OQYGHRNIASOEID-UHFFFAOYSA-N 0 0 407.264 2.764 50 0 HFAARN O=C(NCCCO)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc(Br)o1 ZINC000008720997 557802051 /nfs/dbraw/zinc/80/20/51/557802051.db2.gz QQZVHGRBJQLMEF-JCOGXMLUSA-N 0 0 419.275 2.868 50 0 HFAARN CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1O ZINC000008741776 557803918 /nfs/dbraw/zinc/80/39/18/557803918.db2.gz ZSDOFPOOXFKXDY-BXWFABGCSA-N 0 0 424.375 2.895 50 0 HFAARN Cc1noc2ncc(S(=O)(=O)N[C@H](c3nc(-c4cccnc4)no3)C(C)C)cc12 ZINC000097529150 557817091 /nfs/dbraw/zinc/81/70/91/557817091.db2.gz NXUOELXYVSIRTH-HNNXBMFYSA-N 0 0 414.447 2.652 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2c1 ZINC000097531326 557819146 /nfs/dbraw/zinc/81/91/46/557819146.db2.gz CPEBLEHHPKPKOE-IBGZPJMESA-N 0 0 406.442 2.626 50 0 HFAARN COCCN(Cc1cccnc1)S(=O)(=O)c1cc(Br)ccc1F ZINC000097543805 557820578 /nfs/dbraw/zinc/82/05/78/557820578.db2.gz MVJZMHHRSNGYBL-UHFFFAOYSA-N 0 0 403.273 2.821 50 0 HFAARN COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)c1 ZINC000009090479 557823087 /nfs/dbraw/zinc/82/30/87/557823087.db2.gz ZVFKOTDNFKCGQE-GJYPPUQNSA-N 0 0 424.375 2.808 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F ZINC000022845338 557841014 /nfs/dbraw/zinc/84/10/14/557841014.db2.gz KXOYBFJGUNXJJZ-UHFFFAOYSA-N 0 0 422.384 2.527 50 0 HFAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1F)N2c1ccc2c(c1)OCO2 ZINC000009410727 557841564 /nfs/dbraw/zinc/84/15/64/557841564.db2.gz KXZZUEBXXMNWFO-CVEARBPZSA-N 0 0 420.487 2.829 50 0 HFAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CCC(O)CC4)ccc32)cc1 ZINC000009418722 557841785 /nfs/dbraw/zinc/84/17/85/557841785.db2.gz FJERGYZWNMNBJF-UHFFFAOYSA-N 0 0 409.438 2.831 50 0 biogenic HFAARN Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4C)cc3C2=O)no1 ZINC000009525996 557844860 /nfs/dbraw/zinc/84/48/60/557844860.db2.gz NJVCBPWMJXWNBW-UHFFFAOYSA-N 0 0 419.393 2.888 50 0 HFAARN CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)c2ccc(Cl)cc2)c1=O ZINC000009935506 557851721 /nfs/dbraw/zinc/85/17/21/557851721.db2.gz RGFHTVOJQFDCJI-UHFFFAOYSA-N 0 0 402.834 2.737 50 0 HFAARN CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000004325721 557857055 /nfs/dbraw/zinc/85/70/55/557857055.db2.gz CVCAKOSUZDBWDB-HXUWFJFHSA-N 0 0 414.527 2.685 50 0 HFAARN CCOc1ccc([C@H]2c3c(-c4ccc(OC)cc4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010295609 557858493 /nfs/dbraw/zinc/85/84/93/557858493.db2.gz IZKLWJWSXPWUJT-IBGZPJMESA-N 0 0 417.429 2.938 50 0 HFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@@H](c2cccc(OC)c2)n2nnnc2N3)c1 ZINC000010296787 557858522 /nfs/dbraw/zinc/85/85/22/557858522.db2.gz VGULTEWDDIJIOX-GOSISDBHSA-N 0 0 403.402 2.548 50 0 HFAARN COc1cccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 ZINC000019720685 558259109 /nfs/dbraw/zinc/25/91/09/558259109.db2.gz SRYDPTASCFCRIX-MECCDNJOSA-N 0 0 405.498 2.658 50 0 HFAARN Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)N1CCCCC1 ZINC000010803089 558261332 /nfs/dbraw/zinc/26/13/32/558261332.db2.gz UJJGHOYXAZZWJG-UHFFFAOYSA-N 0 0 407.927 2.754 50 0 HFAARN COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1O ZINC000019745109 558265770 /nfs/dbraw/zinc/26/57/70/558265770.db2.gz FRAXZBZWBANRNC-UHFFFAOYSA-N 0 0 408.502 2.844 50 0 HFAARN Cc1nnc2ccc(SCC(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)nn12 ZINC000011786620 558276295 /nfs/dbraw/zinc/27/62/95/558276295.db2.gz WGSPGHBUPKOGQA-CYBMUJFWSA-N 0 0 401.517 2.708 50 0 HFAARN O=C(NCC1(N2CCOCC2)CCCC1)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000019770345 558279375 /nfs/dbraw/zinc/27/93/75/558279375.db2.gz DVKYEZNYWIAASX-UHFFFAOYSA-N 0 0 402.470 2.503 50 0 HFAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)NCc1ccccc1 ZINC000019799568 558285151 /nfs/dbraw/zinc/28/51/51/558285151.db2.gz MAWRXGURQHKHLY-UHFFFAOYSA-N 0 0 423.542 2.508 50 0 HFAARN C[C@H]1CCO[C@]2(O1)c1ccccc1N(CN1CCN(c3ccccc3F)CC1)C2=O ZINC000019809020 558286076 /nfs/dbraw/zinc/28/60/76/558286076.db2.gz LBQXLIVUYMIKEB-SBUREZEXSA-N 0 0 411.477 2.930 50 0 HFAARN CCc1cc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccc(F)cc4)CC3)O2)no1 ZINC000011840177 558286475 /nfs/dbraw/zinc/28/64/75/558286475.db2.gz QDOFDDIEFBZJJE-SFHVURJKSA-N 0 0 415.465 2.960 50 0 HFAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)c(C)c1C ZINC000011840607 558286635 /nfs/dbraw/zinc/28/66/35/558286635.db2.gz SUXYUTDFQHBRKF-FQEVSTJZSA-N 0 0 401.551 2.842 50 0 HFAARN Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc32)n1 ZINC000011841662 558287175 /nfs/dbraw/zinc/28/71/75/558287175.db2.gz DCVWIZGHMQDRHN-FQEVSTJZSA-N 0 0 422.554 2.954 50 0 HFAARN O=S(=O)(C[C@@H]1CSc2ncnc3ncn1c32)c1ccc(Br)cc1 ZINC000019829255 558291533 /nfs/dbraw/zinc/29/15/33/558291533.db2.gz VELGRGGTPUKGPE-JTQLQIEISA-N 0 0 411.306 2.710 50 0 HFAARN COc1ccccc1CN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000019831983 558291951 /nfs/dbraw/zinc/29/19/51/558291951.db2.gz DXHWXOWVCFRSHC-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN COC[C@@H]1CCCCN1C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 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0 HFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857132 558296344 /nfs/dbraw/zinc/29/63/44/558296344.db2.gz UFIXJVVUZKWDNE-KRWDZBQOSA-N 0 0 416.499 2.654 50 0 HFAARN COc1ccc(-n2c(CNC(=O)c3cc(OC)ccc3OC)nnc2SC)cc1 ZINC000011912733 558297067 /nfs/dbraw/zinc/29/70/67/558297067.db2.gz CVMDLHWUTGPLFH-UHFFFAOYSA-N 0 0 414.487 2.945 50 0 HFAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CC(C)(C)C)C3)n(C)n1 ZINC000011966271 558304269 /nfs/dbraw/zinc/30/42/69/558304269.db2.gz XSQLFSMKBVCQDH-UHFFFAOYSA-N 0 0 411.550 2.937 50 0 HFAARN CN1C(=O)C[C@](CC(=O)N2CCC(c3ccncc3)CC2)(c2ccccc2F)C1=O ZINC000011971669 558305065 /nfs/dbraw/zinc/30/50/65/558305065.db2.gz RRQMFKOFTSIPTN-QHCPKHFHSA-N 0 0 409.461 2.644 50 0 HFAARN O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000011978319 558305793 /nfs/dbraw/zinc/30/57/93/558305793.db2.gz WCAWEPGHCXFZBU-QGZVFWFLSA-N 0 0 407.401 2.674 50 0 HFAARN CN(C)c1ncc(CN2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)s1 ZINC000012004112 558308664 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/nfs/dbraw/zinc/25/62/30/559256230.db2.gz JCYLCCBQFGITCE-UHFFFAOYSA-N 0 0 422.514 2.561 50 0 HFAARN O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1ccc(Br)o1 ZINC000011796970 559259948 /nfs/dbraw/zinc/25/99/48/559259948.db2.gz PNQSHACKSQADOY-UHFFFAOYSA-N 0 0 403.240 2.813 50 0 HFAARN CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1OC ZINC000248033214 559260116 /nfs/dbraw/zinc/26/01/16/559260116.db2.gz YFNIOUBWYAOQHR-RBUKOAKNSA-N 0 0 402.516 2.626 50 0 HFAARN Cn1c2c(cc(C(=O)NCCC3=CCCCC3)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000011845000 559261708 /nfs/dbraw/zinc/26/17/08/559261708.db2.gz HRTOTTGSZDXOLS-UHFFFAOYSA-N 0 0 420.513 2.707 50 0 HFAARN O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000011906541 559266717 /nfs/dbraw/zinc/26/67/17/559266717.db2.gz HYVROYXIEMYCDK-UHFFFAOYSA-N 0 0 400.456 2.558 50 0 HFAARN COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[NH+]3CCCCC3)c1[O-])CC2 ZINC000100797115 559268163 /nfs/dbraw/zinc/26/81/63/559268163.db2.gz JRYMQDYTPCYGTP-UHFFFAOYSA-N 0 0 414.502 2.907 50 0 biogenic HFAARN CC(C)c1cc(C(=O)Nc2nc3c(s2)CCCC3)nn1[C@H]1CCS(=O)(=O)C1 ZINC000011997189 559270191 /nfs/dbraw/zinc/27/01/91/559270191.db2.gz ZGQOONOSJULIOX-LBPRGKRZSA-N 0 0 408.549 2.954 50 0 HFAARN COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C(C)C)C1=O ZINC000001759317 559272342 /nfs/dbraw/zinc/27/23/42/559272342.db2.gz APZNHWVESMOGII-GXDHUFHOSA-N 0 0 418.544 2.671 50 0 HFAARN Cc1n[nH]c(C)c1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252497132 559277819 /nfs/dbraw/zinc/27/78/19/559277819.db2.gz PZTPULAMKOUSOV-GOSISDBHSA-N 0 0 405.458 2.906 50 0 HFAARN Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)Nc3cccc(C)c3C)CC2)c1 ZINC000024295234 559282081 /nfs/dbraw/zinc/28/20/81/559282081.db2.gz PZOUHRNCUZOIOE-UHFFFAOYSA-N 0 0 422.573 2.827 50 0 HFAARN Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@H]3COc4ccccc4O3)CCC2)cc1 ZINC000140055586 559289313 /nfs/dbraw/zinc/28/93/13/559289313.db2.gz ZGERZSABLWOGRP-INIZCTEOSA-N 0 0 401.484 2.648 50 0 HFAARN COc1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)o1 ZINC000005189657 559291288 /nfs/dbraw/zinc/29/12/88/559291288.db2.gz FGLRANVLTAIPTM-UHFFFAOYSA-N 0 0 405.407 2.687 50 0 HFAARN CCO[C@H]1C[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1(CC)CC ZINC000079047856 560541515 /nfs/dbraw/zinc/54/15/15/560541515.db2.gz XXDSZGDVWOWVHL-MSOLQXFVSA-N 0 0 417.593 2.914 50 0 HFAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000101358657 560545564 /nfs/dbraw/zinc/54/55/64/560545564.db2.gz IOJHDRPICYLNGH-AZUAARDMSA-N 0 0 402.516 2.686 50 0 HFAARN C[C@H](NC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 ZINC000248244092 560546417 /nfs/dbraw/zinc/54/64/17/560546417.db2.gz INOLKJOONOEYCD-DOPJRALCSA-N 0 0 415.540 2.858 50 0 HFAARN CC(=O)[C@@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)cc2C)n(C)c1=O ZINC000005251797 560551414 /nfs/dbraw/zinc/55/14/14/560551414.db2.gz KMIDHNVYRKUCLN-OAHLLOKOSA-N 0 0 407.474 2.522 50 0 HFAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2c[nH]c3ccccc23)C1=O ZINC000005263418 560553044 /nfs/dbraw/zinc/55/30/44/560553044.db2.gz ZALZDVMCWZAMAH-HSZRJFAPSA-N 0 0 419.437 2.979 50 0 HFAARN Cc1cc2sc(N(Cc3ccccn3)C(=O)CN3C(=O)CCC3=O)nc2c(C)c1 ZINC000005265322 560553546 /nfs/dbraw/zinc/55/35/46/560553546.db2.gz UJQVHGMBSRIRRQ-UHFFFAOYSA-N 0 0 408.483 2.990 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC3CCCCCC3)C2=O)cc1 ZINC000206251489 560555419 /nfs/dbraw/zinc/55/54/19/560555419.db2.gz LOZWCWLTWHPPTO-LJQANCHMSA-N 0 0 401.507 2.777 50 0 HFAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)Nc1nccs1 ZINC000005271607 560561021 /nfs/dbraw/zinc/56/10/21/560561021.db2.gz GPCQODXRNBKEHS-GDKCJGSASA-N 0 0 416.528 2.635 50 0 HFAARN O=C(Nc1nnc(-c2ccccc2)o1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000005298873 560563884 /nfs/dbraw/zinc/56/38/84/560563884.db2.gz SIHRVGXMLJTXBH-ZDUSSCGKSA-N 0 0 404.473 2.590 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1C ZINC000005326395 560565389 /nfs/dbraw/zinc/56/53/89/560565389.db2.gz ZEYJRUMJUCKIRL-CYBMUJFWSA-N 0 0 407.467 2.512 50 0 HFAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC[C@H]1CCCO1)C(=O)OC2 ZINC000062001658 560565886 /nfs/dbraw/zinc/56/58/86/560565886.db2.gz UOWMFRZYHHOOIV-MRHLJLSQSA-N 0 0 403.475 2.944 50 0 biogenic HFAARN COc1ccc(S(=O)(=O)NN(C)c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000005342992 560568052 /nfs/dbraw/zinc/56/80/52/560568052.db2.gz LNSZFDUYWRDIMI-UHFFFAOYSA-N 0 0 412.393 2.987 50 0 HFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc(F)cc2)OCC3)c(=O)n(C)c1=O ZINC000005351084 560569025 /nfs/dbraw/zinc/56/90/25/560569025.db2.gz BPUAZVGCRMYINB-OAQYLSRUSA-N 0 0 405.429 2.964 50 0 HFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccc(O)cc2)OCC3)c(=O)n(C)c1=O ZINC000005351000 560569063 /nfs/dbraw/zinc/56/90/63/560569063.db2.gz WPAXNNBZJCEJOU-OAQYLSRUSA-N 0 0 403.438 2.531 50 0 HFAARN Cn1c2c(c(-c3ccccc3)n3c2[C@@H](c2ccccc2O)OCC3)c(=O)n(C)c1=O ZINC000005352086 560569238 /nfs/dbraw/zinc/56/92/38/560569238.db2.gz WLLDIWUFEQAROG-OAQYLSRUSA-N 0 0 403.438 2.531 50 0 HFAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nccn2C)c1 ZINC000005358356 560569675 /nfs/dbraw/zinc/56/96/75/560569675.db2.gz ZTSCSLHIRORKCH-UHFFFAOYSA-N 0 0 416.528 2.976 50 0 HFAARN Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 ZINC000005346884 560570599 /nfs/dbraw/zinc/57/05/99/560570599.db2.gz VTCMSJISQSNTPU-NRFANRHFSA-N 0 0 418.497 2.995 50 0 HFAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000005348445 560571041 /nfs/dbraw/zinc/57/10/41/560571041.db2.gz NBMJIQFNJGQEHX-JOCHJYFZSA-N 0 0 417.465 2.834 50 0 HFAARN CN(C)C(=O)c1ccc(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)cc1 ZINC000005348744 560571072 /nfs/dbraw/zinc/57/10/72/560571072.db2.gz IZYGFXMIKIJHKD-UHFFFAOYSA-N 0 0 409.486 2.547 50 0 HFAARN COc1ccc(CCNC(=O)Cn2nc(-c3cc(C)ccc3C)ccc2=O)cc1OC ZINC000005410066 560583754 /nfs/dbraw/zinc/58/37/54/560583754.db2.gz ULSDBZSDNQHNHX-UHFFFAOYSA-N 0 0 421.497 2.903 50 0 HFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000002146913 560584650 /nfs/dbraw/zinc/58/46/50/560584650.db2.gz UYTXAEMHKKWGFX-HNNXBMFYSA-N 0 0 415.467 2.991 50 0 biogenic HFAARN Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000005450052 560588650 /nfs/dbraw/zinc/58/86/50/560588650.db2.gz ZVFGOWJSLJUBSK-JOCHJYFZSA-N 0 0 405.410 2.855 50 0 HFAARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 ZINC000005451847 560589275 /nfs/dbraw/zinc/58/92/75/560589275.db2.gz PSCBNHWQYYTSHK-ZDUSSCGKSA-N 0 0 404.488 2.970 50 0 HFAARN Cc1c(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000005452140 560589387 /nfs/dbraw/zinc/58/93/87/560589387.db2.gz UPNNFYZAFMZHNG-UHFFFAOYSA-N 0 0 415.453 2.591 50 0 HFAARN Cc1ccc(-n2nnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(C)c1 ZINC000005472040 560593253 /nfs/dbraw/zinc/59/32/53/560593253.db2.gz PALVMEXXHHAKFN-LJQANCHMSA-N 0 0 409.515 2.971 50 0 HFAARN Cc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 ZINC000005473484 560593460 /nfs/dbraw/zinc/59/34/60/560593460.db2.gz NXOYRUJOCMEXBP-GOSISDBHSA-N 0 0 409.515 2.660 50 0 HFAARN O=C(Nc1nnc(-c2ccco2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004264583 560603630 /nfs/dbraw/zinc/60/36/30/560603630.db2.gz HTSBSGOTVOAHCR-UHFFFAOYSA-N 0 0 402.432 2.757 50 0 HFAARN CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000005523926 560604716 /nfs/dbraw/zinc/60/47/16/560604716.db2.gz MAIPGVXCXAWRIX-OUJBWJOFSA-N 0 0 401.168 2.778 50 0 HFAARN CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N(C)c1ccccc1 ZINC000005538447 560606505 /nfs/dbraw/zinc/60/65/05/560606505.db2.gz OYBJEFMQTMFMMM-UHFFFAOYSA-N 0 0 401.536 2.956 50 0 HFAARN COc1ccccc1-n1nnc(C(=O)Nc2nc(C)cc(C)n2)c1-c1ccncc1 ZINC000206647434 560615850 /nfs/dbraw/zinc/61/58/50/560615850.db2.gz ZSRJJOKCSYZCMT-UHFFFAOYSA-N 0 0 401.430 2.997 50 0 HFAARN CNC(=O)NC(=O)[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)c1ccccc1 ZINC000005077001 560624303 /nfs/dbraw/zinc/62/43/03/560624303.db2.gz KQVLKCAYCPGYAI-CQSZACIVSA-N 0 0 416.894 2.601 50 0 HFAARN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000062580052 560631363 /nfs/dbraw/zinc/63/13/63/560631363.db2.gz MGJITDFXHVDFEF-GOSISDBHSA-N 0 0 422.441 2.556 50 0 HFAARN CNC(=O)NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000005627189 560634520 /nfs/dbraw/zinc/63/45/20/560634520.db2.gz SGLGWYNRFCWQBJ-JTQLQIEISA-N 0 0 409.899 2.782 50 0 HFAARN NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1Cl ZINC000005630390 560634946 /nfs/dbraw/zinc/63/49/46/560634946.db2.gz YFFDEFNQXCWHDT-OAHLLOKOSA-N 0 0 411.792 2.900 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OC/C=C/c2ccccc2)cc1 ZINC000007255565 560635867 /nfs/dbraw/zinc/63/58/67/560635867.db2.gz IRZKHLSDZWVKQI-RMKNXTFCSA-N 0 0 402.472 2.522 50 0 HFAARN CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1 ZINC000008719094 560637821 /nfs/dbraw/zinc/63/78/21/560637821.db2.gz KVBZMCCDHVHAED-UHFFFAOYSA-N 0 0 408.911 2.565 50 0 HFAARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000008726860 560637983 /nfs/dbraw/zinc/63/79/83/560637983.db2.gz IOMUXGCJPVJEKF-UHFFFAOYSA-N 0 0 424.906 2.687 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000008667775 560638036 /nfs/dbraw/zinc/63/80/36/560638036.db2.gz XQLFRFCEVTWMIG-UHFFFAOYSA-N 0 0 400.818 2.816 50 0 HFAARN CCn1nc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c2ccccc2c1=O ZINC000008807009 560639571 /nfs/dbraw/zinc/63/95/71/560639571.db2.gz JLAYCAGJDJHXLQ-UHFFFAOYSA-N 0 0 415.833 2.874 50 0 HFAARN COc1ccc(C(=O)NCCCc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000017298302 560706351 /nfs/dbraw/zinc/70/63/51/560706351.db2.gz KMYQWTMLHQIRJQ-UHFFFAOYSA-N 0 0 402.516 2.842 50 0 HFAARN CCS(=O)(=O)N1CCc2ccc(NC(=O)c3c(OC)cccc3OC)cc2C1 ZINC000017316641 560708575 /nfs/dbraw/zinc/70/85/75/560708575.db2.gz GLHNEXLDGOUCMC-UHFFFAOYSA-N 0 0 404.488 2.664 50 0 HFAARN CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1=O ZINC000017316997 560708689 /nfs/dbraw/zinc/70/86/89/560708689.db2.gz FIOCNCXYNXAUDE-UHFFFAOYSA-N 0 0 422.489 2.514 50 0 HFAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NCCSc1ccccc1 ZINC000017479872 560718476 /nfs/dbraw/zinc/71/84/76/560718476.db2.gz CRJVIBRWJPXYRC-IBGZPJMESA-N 0 0 422.510 2.539 50 0 HFAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 ZINC000017635259 560720640 /nfs/dbraw/zinc/72/06/40/560720640.db2.gz QWUJLTYQRZIBMR-CQSZACIVSA-N 0 0 407.492 2.511 50 0 HFAARN NS(=O)(=O)c1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1 ZINC000017639591 560720787 /nfs/dbraw/zinc/72/07/87/560720787.db2.gz XJHLOHRZEVWPRX-UHFFFAOYSA-N 0 0 422.466 2.813 50 0 HFAARN O=C([C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000017727010 560724319 /nfs/dbraw/zinc/72/43/19/560724319.db2.gz LYEBFDSFRIJFGK-IBGZPJMESA-N 0 0 424.526 2.506 50 0 HFAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000006375630 560726880 /nfs/dbraw/zinc/72/68/80/560726880.db2.gz ASNIYMUDSDBEDE-UHFFFAOYSA-N 0 0 408.545 2.516 50 0 biogenic HFAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nn1cnc2ccccc2c1=O ZINC000017848644 560729373 /nfs/dbraw/zinc/72/93/73/560729373.db2.gz UOGZNWHZFCBRLQ-UHFFFAOYSA-N 0 0 408.502 2.579 50 0 HFAARN O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000017908823 560730481 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HFAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[C@@H]3OC)c2)cc1 ZINC000225469078 568640690 /nfs/dbraw/zinc/64/06/90/568640690.db2.gz YGKRECFUOHGAOJ-OALUTQOASA-N 0 0 404.488 2.793 50 0 HFAARN CC(=O)Oc1ccc(N2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000020760034 568642273 /nfs/dbraw/zinc/64/22/73/568642273.db2.gz TVAWJIIBDOZLEA-OAQYLSRUSA-N 0 0 403.438 2.783 50 0 biogenic HFAARN COc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccco1 ZINC000020895757 568648762 /nfs/dbraw/zinc/64/87/62/568648762.db2.gz MVVJCBGNKKHKLZ-MRXNPFEDSA-N 0 0 403.416 2.508 50 0 HFAARN Cc1cccc(N(C)C(=O)C[C@H](C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020930195 568651470 /nfs/dbraw/zinc/65/14/70/568651470.db2.gz OFCIAGFLLULGIJ-HNNXBMFYSA-N 0 0 416.499 2.850 50 0 HFAARN COc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000020933436 568652118 /nfs/dbraw/zinc/65/21/18/568652118.db2.gz NYLMYEPNMMAUCV-AWEZNQCLSA-N 0 0 416.499 2.795 50 0 HFAARN Cc1noc2ncnc(N3CCC(C(=O)NCCCN(C)c4ccccc4)CC3)c12 ZINC000020944910 568653184 /nfs/dbraw/zinc/65/31/84/568653184.db2.gz KBRSLCWNSHZPOU-UHFFFAOYSA-N 0 0 408.506 2.785 50 0 HFAARN Cn1nc(C(F)(F)F)nc1NC(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000225617432 568657325 /nfs/dbraw/zinc/65/73/25/568657325.db2.gz JYXWXVMZCWRXRM-UHFFFAOYSA-N 0 0 409.324 2.697 50 0 HFAARN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000225624378 568658359 /nfs/dbraw/zinc/65/83/59/568658359.db2.gz UKYAFHUFLDSEGQ-DCLXLUIPSA-N 0 0 412.530 2.930 50 0 HFAARN CC(=O)N1C[C@H](O)C[C@@H]1c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 ZINC000225630889 568658556 /nfs/dbraw/zinc/65/85/56/568658556.db2.gz FQMOGZUTLLWXEG-YLJYHZDGSA-N 0 0 403.442 2.789 50 0 HFAARN O=C(NCc1cccs1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000021028315 568658849 /nfs/dbraw/zinc/65/88/49/568658849.db2.gz LEFOWHMQZUFPHB-UHFFFAOYSA-N 0 0 405.549 2.649 50 0 HFAARN O=C(C1CCCCC1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1 ZINC000021042666 568659846 /nfs/dbraw/zinc/65/98/46/568659846.db2.gz KYRHJWAXSQUCJQ-UHFFFAOYSA-N 0 0 410.511 2.746 50 0 HFAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)o1 ZINC000021053538 568660988 /nfs/dbraw/zinc/66/09/88/568660988.db2.gz PWMROKWASGZQOL-UHFFFAOYSA-N 0 0 415.515 2.797 50 0 HFAARN COc1ccnc(CS(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)c1OC ZINC000225665861 568662063 /nfs/dbraw/zinc/66/20/63/568662063.db2.gz BJSIKMDAHDCBDM-UHFFFAOYSA-N 0 0 409.851 2.917 50 0 HFAARN COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021090025 568664075 /nfs/dbraw/zinc/66/40/75/568664075.db2.gz HXLGJIZPSDJFDK-MRXNPFEDSA-N 0 0 408.863 2.667 50 0 HFAARN CCNc1cc(C(=O)NC[C@]2(C)CCN(C(=O)c3ccnc(NCC)c3)C2)ccn1 ZINC000225686482 568664358 /nfs/dbraw/zinc/66/43/58/568664358.db2.gz BYRUSPWRYIBNNW-QFIPXVFZSA-N 0 0 410.522 2.622 50 0 HFAARN CC(C)(C)OC(=O)N1CCN(C(=O)CCOC[C@H]2CCCO2)[C@H](c2ccncc2)C1 ZINC000225720056 568667812 /nfs/dbraw/zinc/66/78/12/568667812.db2.gz JKVFALUPIGHNNN-MOPGFXCFSA-N 0 0 419.522 2.788 50 0 HFAARN C[C@H](NC(=O)C1CCC1)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000225722622 568667941 /nfs/dbraw/zinc/66/79/41/568667941.db2.gz JZSPCBYYBOCZRZ-VIFPVBQESA-N 0 0 420.678 2.866 50 0 HFAARN CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1OC ZINC000021109072 568667958 /nfs/dbraw/zinc/66/79/58/568667958.db2.gz ISSWZLHINALNTN-UHFFFAOYSA-N 0 0 418.515 2.826 50 0 HFAARN COc1ccc2nc(NC(=O)CS(=O)(=O)c3cccc4nsnc43)sc2c1 ZINC000021110982 568668218 /nfs/dbraw/zinc/66/82/18/568668218.db2.gz IWZHZXHXJQZYGG-UHFFFAOYSA-N 0 0 420.497 2.722 50 0 HFAARN COc1ccccc1NC(=O)CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 ZINC000021114407 568668507 /nfs/dbraw/zinc/66/85/07/568668507.db2.gz CNWPSEBGFYGDDS-UHFFFAOYSA-N 0 0 422.510 2.915 50 0 HFAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)c1N ZINC000021115322 568668736 /nfs/dbraw/zinc/66/87/36/568668736.db2.gz YDRUJNDSBFRINF-UHFFFAOYSA-N 0 0 410.430 2.901 50 0 HFAARN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1 ZINC000021161749 568674337 /nfs/dbraw/zinc/67/43/37/568674337.db2.gz YGXFAMQXYISMFT-KRWDZBQOSA-N 0 0 413.547 2.760 50 0 HFAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccccc4)CC3)sc2n1 ZINC000021165692 568674766 /nfs/dbraw/zinc/67/47/66/568674766.db2.gz HRTIHHKAAHHUKG-UHFFFAOYSA-N 0 0 411.531 2.636 50 0 HFAARN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000095983679 568675922 /nfs/dbraw/zinc/67/59/22/568675922.db2.gz GSMWWSUHAQGDKV-GOSISDBHSA-N 0 0 421.559 2.777 50 0 HFAARN O=C(Nc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccccn2)C1)C1CCCC1 ZINC000096000407 568681173 /nfs/dbraw/zinc/68/11/73/568681173.db2.gz DHSPTCKRDIHQEO-HNNXBMFYSA-N 0 0 403.508 2.502 50 0 HFAARN O=C(NCCOc1ccccc1)NCCn1nc(-n2ccc3ccccc32)ccc1=O ZINC000096097970 568689579 /nfs/dbraw/zinc/68/95/79/568689579.db2.gz VTNFAONZSMTLGH-UHFFFAOYSA-N 0 0 417.469 2.565 50 0 HFAARN COC(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096099443 568690173 /nfs/dbraw/zinc/69/01/73/568690173.db2.gz KGXGQCRKHTYZHY-UHFFFAOYSA-N 0 0 405.447 2.691 50 0 HFAARN CCn1cc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c(=O)c2ccc(C)nc21 ZINC000012389821 568690502 /nfs/dbraw/zinc/69/05/02/568690502.db2.gz SPJZTCWNYCHBNZ-UHFFFAOYSA-N 0 0 416.485 2.787 50 0 HFAARN O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1 ZINC000096101452 568691288 /nfs/dbraw/zinc/69/12/88/568691288.db2.gz LEENIVUAZBPOIR-LBPRGKRZSA-N 0 0 400.788 2.768 50 0 HFAARN Cc1c(Cl)cccc1S(=O)(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104315 568692281 /nfs/dbraw/zinc/69/22/81/568692281.db2.gz NOHVJDCPZCLBNI-UHFFFAOYSA-N 0 0 403.884 2.634 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096105279 568692671 /nfs/dbraw/zinc/69/26/71/568692671.db2.gz RXTYEPRHNNZSAY-ZDUSSCGKSA-N 0 0 413.869 2.574 50 0 HFAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC ZINC000096115148 568694691 /nfs/dbraw/zinc/69/46/91/568694691.db2.gz GKGQTPRGHCWPRS-KRWDZBQOSA-N 0 0 422.441 2.634 50 0 biogenic HFAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000012390921 568695174 /nfs/dbraw/zinc/69/51/74/568695174.db2.gz RUBFEOOZVRYLPF-HXUWFJFHSA-N 0 0 405.502 2.890 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1cccc2nsnc21)CC3 ZINC000012391114 568695679 /nfs/dbraw/zinc/69/56/79/568695679.db2.gz JWADFDIJHFOYRI-UHFFFAOYSA-N 0 0 400.485 2.928 50 0 HFAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1nc[nH]n1)COC2=O ZINC000096116387 568695739 /nfs/dbraw/zinc/69/57/39/568695739.db2.gz QGTXNYXKUDSPOE-VZUCSPMQSA-N 0 0 400.435 2.708 50 0 biogenic HFAARN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012391687 568696090 /nfs/dbraw/zinc/69/60/90/568696090.db2.gz AFHSFXJGYWSWBY-NSHDSACASA-N 0 0 420.434 2.934 50 0 HFAARN COC(=O)c1nc(NC(=O)Cc2ccc(-n3cnnn3)cc2)sc1-c1ccccc1 ZINC000096117458 568696911 /nfs/dbraw/zinc/69/69/11/568696911.db2.gz NLNHERGPANAKBM-UHFFFAOYSA-N 0 0 420.454 2.754 50 0 HFAARN COc1cccc(N2CCN(C(=O)Cn3ccc4c3cccc4NC(C)=O)CC2)c1 ZINC000096117556 568697040 /nfs/dbraw/zinc/69/70/40/568697040.db2.gz WVHBNGGKTAKWTB-UHFFFAOYSA-N 0 0 406.486 2.957 50 0 HFAARN Cn1c(C[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCCC4)C3)C2)nc2cccnc21 ZINC000096124898 568701029 /nfs/dbraw/zinc/70/10/29/568701029.db2.gz KWKHXHPKENFIBV-QZTJIDSGSA-N 0 0 423.561 2.931 50 0 HFAARN CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21 ZINC000096183411 568702925 /nfs/dbraw/zinc/70/29/25/568702925.db2.gz XNICJGCFKIMQPL-UHFFFAOYSA-N 0 0 413.543 2.813 50 0 HFAARN COCCCNC(=O)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccc(OC)cc1OC ZINC000096211847 568704725 /nfs/dbraw/zinc/70/47/25/568704725.db2.gz VQFQTHXGCWQCFE-UXHICEINSA-N 0 0 418.534 2.589 50 0 HFAARN C[C@H](NC(=O)CCN1C(=O)C[C@](C)(c2ccccc2)C1=O)c1nc2ccccc2n1C ZINC000096224303 568706568 /nfs/dbraw/zinc/70/65/68/568706568.db2.gz RMCSAUHZZJMGGX-UPCLLVRISA-N 0 0 418.497 2.857 50 0 HFAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cccc(Cl)c2)o1 ZINC000096232460 568708169 /nfs/dbraw/zinc/70/81/69/568708169.db2.gz UCUFBVSVYSDHQA-INIZCTEOSA-N 0 0 407.850 2.526 50 0 HFAARN CCOC(=O)Cc1csc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)n1 ZINC000018526483 568710854 /nfs/dbraw/zinc/71/08/54/568710854.db2.gz UYNILLRVEYGDLN-AWEZNQCLSA-N 0 0 422.528 2.639 50 0 HFAARN COc1cccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1 ZINC000021531408 568711158 /nfs/dbraw/zinc/71/11/58/568711158.db2.gz OSTIGXQKTGZIMQ-UHFFFAOYSA-N 0 0 423.922 2.740 50 0 HFAARN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532042 568711389 /nfs/dbraw/zinc/71/13/89/568711389.db2.gz RCGRFKVESHIDJS-UHFFFAOYSA-N 0 0 421.906 2.874 50 0 HFAARN O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[nH]n21)NCCCc1ccccc1 ZINC000021537394 568712261 /nfs/dbraw/zinc/71/22/61/568712261.db2.gz SQOXMIQEMQDGFV-UHFFFAOYSA-N 0 0 419.510 2.926 50 0 HFAARN Cn1c2nc(N3CCCCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000000851617 568712472 /nfs/dbraw/zinc/71/24/72/568712472.db2.gz OTJAZKYMETVFJU-UHFFFAOYSA-N 0 0 422.316 2.779 50 0 HFAARN CCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NC(=O)c3ccco3)ccc21 ZINC000096277655 568716119 /nfs/dbraw/zinc/71/61/19/568716119.db2.gz LSOMPDXQIWCECH-UHFFFAOYSA-N 0 0 424.501 2.959 50 0 HFAARN 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/nfs/dbraw/zinc/01/47/81/569014781.db2.gz BSFIHDWDQVAUOX-ZDUSSCGKSA-N 0 0 406.891 2.891 50 0 HFAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCCc3ccccc3F)c2)C1=O ZINC000015858598 569014862 /nfs/dbraw/zinc/01/48/62/569014862.db2.gz UGFANEQKYWFJTB-UHFFFAOYSA-N 0 0 404.463 2.501 50 0 HFAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1 ZINC000015863948 569016297 /nfs/dbraw/zinc/01/62/97/569016297.db2.gz RDWCYVHITQFJLJ-CYBMUJFWSA-N 0 0 416.459 2.605 50 0 HFAARN CC(C)(CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)N1CCOCC1 ZINC000049548603 569017537 /nfs/dbraw/zinc/01/75/37/569017537.db2.gz VYFYEFSWLCVAPT-UHFFFAOYSA-N 0 0 413.305 2.808 50 0 HFAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 ZINC000015880802 569018042 /nfs/dbraw/zinc/01/80/42/569018042.db2.gz RSQMDFLCUCNRFP-UHFFFAOYSA-N 0 0 413.455 2.817 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2C)c(=O)cc1OC ZINC000015881276 569018449 /nfs/dbraw/zinc/01/84/49/569018449.db2.gz ZRQSONSHGKXGAT-UHFFFAOYSA-N 0 0 407.426 2.979 50 0 HFAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(Br)cc1 ZINC000012883908 569019350 /nfs/dbraw/zinc/01/93/50/569019350.db2.gz IRAZTJGSMDTMGQ-IBGZPJMESA-N 0 0 414.259 2.997 50 0 HFAARN O=C(COC(=O)[C@@H]1CSC2(CCCC2)C(=O)N1)Nc1cccc(C(F)(F)F)c1 ZINC000012892473 569020168 /nfs/dbraw/zinc/02/01/68/569020168.db2.gz MSVKIQFNPYEBGI-ZDUSSCGKSA-N 0 0 416.421 2.732 50 0 HFAARN C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012895747 569020254 /nfs/dbraw/zinc/02/02/54/569020254.db2.gz JUNDECZWZKCJKK-CQSZACIVSA-N 0 0 408.454 2.802 50 0 HFAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CCC(=O)c1cc(C)ccc1C ZINC000012897970 569020416 /nfs/dbraw/zinc/02/04/16/569020416.db2.gz ZIFPDXIOTMMKGZ-UHFFFAOYSA-N 0 0 402.516 2.632 50 0 HFAARN Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012900350 569020648 /nfs/dbraw/zinc/02/06/48/569020648.db2.gz WFCUVBRAMKWHQS-LBPRGKRZSA-N 0 0 418.302 2.875 50 0 HFAARN COc1cc2cc(C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)[nH]c2cc1OC ZINC000012902036 569020844 /nfs/dbraw/zinc/02/08/44/569020844.db2.gz ATANOTOMUGNDCT-UHFFFAOYSA-N 0 0 420.469 2.755 50 0 biogenic HFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)C3=COCCO3)cc2)cc1C ZINC000012908425 569021595 /nfs/dbraw/zinc/02/15/95/569021595.db2.gz LYVNWCQPGMLLPY-UHFFFAOYSA-N 0 0 403.456 2.922 50 0 HFAARN O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000012913821 569022084 /nfs/dbraw/zinc/02/20/84/569022084.db2.gz SUCZXNCEFLCDHZ-UHFFFAOYSA-N 0 0 410.495 2.974 50 0 HFAARN CC(C)[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCCO2 ZINC000012921965 569023074 /nfs/dbraw/zinc/02/30/74/569023074.db2.gz CLWWRCLVWNWHQK-IBGZPJMESA-N 0 0 404.488 2.622 50 0 HFAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000012927990 569024062 /nfs/dbraw/zinc/02/40/62/569024062.db2.gz AJRNQIPSZGWSJT-OAHLLOKOSA-N 0 0 401.326 2.615 50 0 HFAARN Cc1ccc(NC(=O)COc2nnc3ccccn32)cc1I ZINC000012929519 569024355 /nfs/dbraw/zinc/02/43/55/569024355.db2.gz RQWZIKNWUQTKSI-UHFFFAOYSA-N 0 0 408.199 2.660 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012934260 569025806 /nfs/dbraw/zinc/02/58/06/569025806.db2.gz NNZVTLHCTSFDBR-UHFFFAOYSA-N 0 0 408.501 2.574 50 0 HFAARN CCC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccc(OC)cc2)C1=O ZINC000012934996 569026291 /nfs/dbraw/zinc/02/62/91/569026291.db2.gz NUXUJVBKZLPKDD-WMZHIEFXSA-N 0 0 412.486 2.820 50 0 HFAARN CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000016046975 569028314 /nfs/dbraw/zinc/02/83/14/569028314.db2.gz NCTDEVYWIRLMRI-LJQANCHMSA-N 0 0 421.588 2.664 50 0 HFAARN CC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000012941516 569028638 /nfs/dbraw/zinc/02/86/38/569028638.db2.gz FONCLTASEQAFGA-UHFFFAOYSA-N 0 0 401.488 2.864 50 0 HFAARN O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000006184487 569029073 /nfs/dbraw/zinc/02/90/73/569029073.db2.gz ANWWWIFAIKKRMO-UHFFFAOYSA-N 0 0 407.495 2.806 50 0 HFAARN C[C@H]1Oc2c(cccc2C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)[C@@H]1C ZINC000012945471 569029093 /nfs/dbraw/zinc/02/90/93/569029093.db2.gz GMZORWWIZZOTCT-HUUCEWRRSA-N 0 0 424.526 2.598 50 0 HFAARN COc1ccccc1CNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012948217 569029308 /nfs/dbraw/zinc/02/93/08/569029308.db2.gz CDNHLNVCNQWKJL-WBMJQRKESA-N 0 0 400.406 2.508 50 0 HFAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000012950552 569029521 /nfs/dbraw/zinc/02/95/21/569029521.db2.gz KITFLUPKNCCQLY-FGYAAKKASA-N 0 0 404.466 2.589 50 0 HFAARN O=C(NCCS(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000053560009 569031469 /nfs/dbraw/zinc/03/14/69/569031469.db2.gz STPQFGLYSQHIAK-UHFFFAOYSA-N 0 0 409.467 2.538 50 0 HFAARN Cc1nc(-c2ccccc2NC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)cs1 ZINC000575607383 569032144 /nfs/dbraw/zinc/03/21/44/569032144.db2.gz CBCUYPAWGFPFEZ-UHFFFAOYSA-N 0 0 418.486 2.564 50 0 HFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cc(C)nc(C)n3)C2)cc1 ZINC000575610710 569032336 /nfs/dbraw/zinc/03/23/36/569032336.db2.gz XLKNXUVKWYMHOP-MRXNPFEDSA-N 0 0 420.491 2.504 50 0 HFAARN Cc1c(C(=O)O[C@H](C)C(=O)NC2CCCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000006216930 569033301 /nfs/dbraw/zinc/03/33/01/569033301.db2.gz XADGUCLRWLWGSQ-GFCCVEGCSA-N 0 0 403.504 2.707 50 0 HFAARN Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccccc4F)CC3)C(=O)C2=O)cc1 ZINC000035376454 569034162 /nfs/dbraw/zinc/03/41/62/569034162.db2.gz LBRYAAWHFZMWCH-UHFFFAOYSA-N 0 0 423.488 2.610 50 0 HFAARN O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 ZINC000006242388 569034561 /nfs/dbraw/zinc/03/45/61/569034561.db2.gz OPPOQVNTWCQLOL-UHFFFAOYSA-N 0 0 408.204 2.739 50 0 HFAARN O=C([C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCC2(CC1)OCCO2 ZINC000035398666 569035219 /nfs/dbraw/zinc/03/52/19/569035219.db2.gz KTIDADGTWYWOES-IBGZPJMESA-N 0 0 408.502 2.726 50 0 HFAARN COc1cccc2cc(C(=O)N3CCC(n4nc(C(F)(F)F)n(C)c4=O)CC3)oc21 ZINC000575614949 569035989 /nfs/dbraw/zinc/03/59/89/569035989.db2.gz LLMHUQZXIBNCBM-UHFFFAOYSA-N 0 0 424.379 2.833 50 0 HFAARN CC(C)OCCCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423358 569036389 /nfs/dbraw/zinc/03/63/89/569036389.db2.gz LGXQXGKNXUEXGN-UHFFFAOYSA-N 0 0 408.458 2.835 50 0 HFAARN COc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C(=O)N2 ZINC000035430683 569036773 /nfs/dbraw/zinc/03/67/73/569036773.db2.gz FCVUIPVQGYVUDX-UHFFFAOYSA-N 0 0 420.513 2.662 50 0 biogenic HFAARN O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575616217 569036866 /nfs/dbraw/zinc/03/68/66/569036866.db2.gz ICKMWODHJATJTF-HNNXBMFYSA-N 0 0 401.422 2.980 50 0 HFAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000035431403 569037061 /nfs/dbraw/zinc/03/70/61/569037061.db2.gz UYIGIMLURGDXRN-UHFFFAOYSA-N 0 0 400.442 2.551 50 0 HFAARN CC(C)NC(=O)CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000035446079 569037210 /nfs/dbraw/zinc/03/72/10/569037210.db2.gz KBGUBTGPZZELCD-LJQANCHMSA-N 0 0 412.534 2.543 50 0 HFAARN Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000035454893 569037914 /nfs/dbraw/zinc/03/79/14/569037914.db2.gz VWTYSASAZSVAHU-UHFFFAOYSA-N 0 0 418.519 2.846 50 0 HFAARN CC(=O)O[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C1 ZINC000089265716 569041072 /nfs/dbraw/zinc/04/10/72/569041072.db2.gz ARWFNJGMYVZBLT-ROUUACIJSA-N 0 0 400.500 2.643 50 0 HFAARN COc1ccc(CC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000090584103 569041304 /nfs/dbraw/zinc/04/13/04/569041304.db2.gz DXBCLHIBOMVZJE-UHFFFAOYSA-N 0 0 403.486 2.993 50 0 HFAARN O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CC(Oc2nc3ccccc3s2)C1 ZINC000090594025 569041638 /nfs/dbraw/zinc/04/16/38/569041638.db2.gz LFISTPVZEDVLOU-UHFFFAOYSA-N 0 0 407.451 2.853 50 0 HFAARN COc1cccc2sc(OC3CN(S(=O)(=O)c4cc(F)ccc4OC)C3)nc21 ZINC000090594415 569041660 /nfs/dbraw/zinc/04/16/60/569041660.db2.gz UUKNVHBUBKZMBS-UHFFFAOYSA-N 0 0 424.475 2.905 50 0 HFAARN CCN(CC)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)c(C)c1 ZINC000006746131 569041719 /nfs/dbraw/zinc/04/17/19/569041719.db2.gz LUNPZAYXVJRYSW-UHFFFAOYSA-N 0 0 419.551 2.604 50 0 HFAARN O=C(NCc1ccccc1OC(F)F)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000012978477 569042559 /nfs/dbraw/zinc/04/25/59/569042559.db2.gz FHGUWFDLGSSOOH-MRXNPFEDSA-N 0 0 410.442 2.758 50 0 HFAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012979014 569042623 /nfs/dbraw/zinc/04/26/23/569042623.db2.gz XOQWLUKCVRARAU-SFHVURJKSA-N 0 0 409.486 2.531 50 0 HFAARN Cc1cc(C)c(NC(=O)CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c(C)c1 ZINC000012979463 569042644 /nfs/dbraw/zinc/04/26/44/569042644.db2.gz QRQSNUGXZDRAOV-UHFFFAOYSA-N 0 0 404.470 2.835 50 0 HFAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCc2ccccc2Cl)cc1C ZINC000035535001 569043483 /nfs/dbraw/zinc/04/34/83/569043483.db2.gz WSCGJIXDBATTMI-SFHVURJKSA-N 0 0 420.918 2.953 50 0 HFAARN COc1cc(-c2noc(CNC(=O)COCc3ccccc3)n2)cc(OC)c1OC ZINC000035522276 569043822 /nfs/dbraw/zinc/04/38/22/569043822.db2.gz HCPMCAVEFTWFSE-UHFFFAOYSA-N 0 0 413.430 2.595 50 0 HFAARN CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN(C(=O)COc2ccccc2)CC1 ZINC000035530844 569044347 /nfs/dbraw/zinc/04/43/47/569044347.db2.gz IPMYWCQBKQEUEG-UHFFFAOYSA-N 0 0 410.470 2.739 50 0 HFAARN COc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000035531402 569044357 /nfs/dbraw/zinc/04/43/57/569044357.db2.gz MGNYCGXKVLCQMD-UHFFFAOYSA-N 0 0 420.506 2.942 50 0 HFAARN NC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(N3CCCC3)sc21 ZINC000035533071 569044457 /nfs/dbraw/zinc/04/44/57/569044457.db2.gz WQWXOVIEVQJXKA-UHFFFAOYSA-N 0 0 414.516 2.516 50 0 HFAARN CN(C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1F ZINC000006808337 569044572 /nfs/dbraw/zinc/04/45/72/569044572.db2.gz VTTUOVPEHLHJCR-UHFFFAOYSA-N 0 0 408.433 2.864 50 0 HFAARN C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000035590438 569045409 /nfs/dbraw/zinc/04/54/09/569045409.db2.gz FBXJCSVTQUWISF-KBPBESRZSA-N 0 0 414.897 2.523 50 0 HFAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000006392917 569046501 /nfs/dbraw/zinc/04/65/01/569046501.db2.gz OKEOCDRLAVIUEQ-XMMPIXPASA-N 0 0 420.465 2.987 50 0 HFAARN CCOC(=O)C1=C(CN2CCOCC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035640991 569047034 /nfs/dbraw/zinc/04/70/34/569047034.db2.gz YUNYZPGTOMBSAK-SFHVURJKSA-N 0 0 407.898 2.576 50 0 HFAARN COc1cccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)CC2=O)c1 ZINC000012988159 569047542 /nfs/dbraw/zinc/04/75/42/569047542.db2.gz ACWXXCNAOIGXMN-ZWKOTPCHSA-N 0 0 421.497 2.925 50 0 HFAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000012988672 569047587 /nfs/dbraw/zinc/04/75/87/569047587.db2.gz RCHQWJXUYCMOAV-NSHDSACASA-N 0 0 401.460 2.698 50 0 HFAARN CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012984478 569047698 /nfs/dbraw/zinc/04/76/98/569047698.db2.gz VJZLSQDAQARISD-UHFFFAOYSA-N 0 0 422.506 2.842 50 0 HFAARN CN(Cc1ccc(C(N)=O)cc1)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000012984774 569047706 /nfs/dbraw/zinc/04/77/06/569047706.db2.gz QJKKHOSEXCDTBM-UHFFFAOYSA-N 0 0 403.866 2.594 50 0 HFAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2cnccn2)CC1 ZINC000090678173 569047896 /nfs/dbraw/zinc/04/78/96/569047896.db2.gz NFIORJYMZXZNCK-UHFFFAOYSA-N 0 0 403.382 2.607 50 0 HFAARN Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000035672693 569048652 /nfs/dbraw/zinc/04/86/52/569048652.db2.gz OMPAEUPCZKLWJN-UHFFFAOYSA-N 0 0 420.400 2.837 50 0 HFAARN Cc1ccc(C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1F ZINC000013011877 569050480 /nfs/dbraw/zinc/05/04/80/569050480.db2.gz WSXDIXGYHXQXIU-UHFFFAOYSA-N 0 0 424.476 2.917 50 0 HFAARN C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006436835 569050546 /nfs/dbraw/zinc/05/05/46/569050546.db2.gz VIBLZDBWEQULSI-GFCCVEGCSA-N 0 0 408.501 2.615 50 0 HFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000013012511 569050613 /nfs/dbraw/zinc/05/06/13/569050613.db2.gz OGBNZESXCSKLJN-UHFFFAOYSA-N 0 0 404.488 2.724 50 0 HFAARN COc1cc(F)ccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc3nccnc3c2)C1 ZINC000013014094 569050995 /nfs/dbraw/zinc/05/09/95/569050995.db2.gz BUDPGMQEJHFRDK-SFHVURJKSA-N 0 0 400.435 2.888 50 0 HFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCCC[C@H]1SC[C@@H]3NC(=O)N[C@H]13)CC2 ZINC000524729067 569051506 /nfs/dbraw/zinc/05/15/06/569051506.db2.gz BHVCPZVCYWBAQO-SLGAXEFGSA-N 0 0 419.547 2.533 50 0 biogenic HFAARN COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1 ZINC000239310492 569054171 /nfs/dbraw/zinc/05/41/71/569054171.db2.gz IMKXAEVDHUDFDQ-JPAWQOSXSA-N 0 0 406.475 2.638 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000241171094 569054678 /nfs/dbraw/zinc/05/46/78/569054678.db2.gz KECRBQSLRSSVBS-ROUUACIJSA-N 0 0 403.504 2.638 50 0 HFAARN CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)cc1C ZINC000242324390 569055050 /nfs/dbraw/zinc/05/50/50/569055050.db2.gz ZAYWKPRGWZOYAL-PPTBJCHFSA-N 0 0 421.519 2.918 50 0 HFAARN CC(C)CN(C(=O)COC(=O)c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000006460810 569057293 /nfs/dbraw/zinc/05/72/93/569057293.db2.gz PDLIFGZNFJZTMS-IBGZPJMESA-N 0 0 403.500 2.668 50 0 HFAARN CN(C(=O)[C@H]1COc2ccccc21)C1CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000089335067 569058394 /nfs/dbraw/zinc/05/83/94/569058394.db2.gz AGFGFBIUDNHTCX-PMACEKPBSA-N 0 0 406.482 2.788 50 0 HFAARN Oc1ccccc1N1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000054152615 569059970 /nfs/dbraw/zinc/05/99/70/569059970.db2.gz ZNODGHGAMSXGHR-UHFFFAOYSA-N 0 0 404.396 2.709 50 0 HFAARN COC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000702286 569060198 /nfs/dbraw/zinc/06/01/98/569060198.db2.gz HZONZMDCVPYTSE-INIZCTEOSA-N 0 0 409.394 2.678 50 0 biogenic HFAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1ccc2c(c1)OCCO2 ZINC000012296685 569061489 /nfs/dbraw/zinc/06/14/89/569061489.db2.gz AETCNVPTRAUEBN-UHFFFAOYSA-N 0 0 406.442 2.646 50 0 biogenic HFAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000006508577 569061852 /nfs/dbraw/zinc/06/18/52/569061852.db2.gz CHCXQSYCWSSIOX-HXUWFJFHSA-N 0 0 417.387 2.715 50 0 HFAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)Cc3cccc4ccccc43)C2=O)c1 ZINC000006510313 569062075 /nfs/dbraw/zinc/06/20/75/569062075.db2.gz ZAOLSAVRUCVMGY-QHCPKHFHSA-N 0 0 403.438 2.889 50 0 HFAARN CC[C@H](C)NC(=O)Cn1cnc2sc(-c3nc(-c4ccncc4)no3)c(C)c2c1=O ZINC000064439274 569062180 /nfs/dbraw/zinc/06/21/80/569062180.db2.gz BBVAHJLUZRJEMM-NSHDSACASA-N 0 0 424.486 2.793 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 ZINC000006531167 569064098 /nfs/dbraw/zinc/06/40/98/569064098.db2.gz MSOPYIDXEMQHEC-QHCPKHFHSA-N 0 0 420.469 2.539 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1 ZINC000006543668 569064962 /nfs/dbraw/zinc/06/49/62/569064962.db2.gz VIKSAJPSAAJRQN-UHFFFAOYSA-N 0 0 419.503 2.521 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1 ZINC000035895179 569065166 /nfs/dbraw/zinc/06/51/66/569065166.db2.gz XZLFZNHBLXPCBC-UHFFFAOYSA-N 0 0 414.531 2.557 50 0 HFAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)Cc1ccccc1 ZINC000006553592 569065585 /nfs/dbraw/zinc/06/55/85/569065585.db2.gz LSLYFSHHUCTYRP-UHFFFAOYSA-N 0 0 408.285 2.749 50 0 HFAARN Cc1ccccc1CC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C ZINC000064526310 569065846 /nfs/dbraw/zinc/06/58/46/569065846.db2.gz YXCMGTXKQGRFNK-UHFFFAOYSA-N 0 0 420.513 2.717 50 0 HFAARN CCN1C2=C(C(=O)N(CC(=O)Nc3ccc(F)cc3)C2)[C@H](c2cccc(C)c2)NC1=O ZINC000035945392 569067027 /nfs/dbraw/zinc/06/70/27/569067027.db2.gz QDBXCKOQQDTVLB-NRFANRHFSA-N 0 0 422.460 2.955 50 0 HFAARN COCC(=O)NCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035946476 569067432 /nfs/dbraw/zinc/06/74/32/569067432.db2.gz VZDVKNAVDZWJLC-GOSISDBHSA-N 0 0 403.841 2.919 50 0 HFAARN COc1ccc(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)cc1OC ZINC000064568519 569067625 /nfs/dbraw/zinc/06/76/25/569067625.db2.gz MOEQVNOJHVGNCP-UHFFFAOYSA-N 0 0 404.492 2.583 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064580544 569068604 /nfs/dbraw/zinc/06/86/04/569068604.db2.gz GFXFAXSEFZGKRT-UHFFFAOYSA-N 0 0 403.504 2.554 50 0 HFAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000006599680 569069226 /nfs/dbraw/zinc/06/92/26/569069226.db2.gz RQYVNFHHGRVCFD-IBGZPJMESA-N 0 0 418.453 2.862 50 0 HFAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1OC ZINC000064593401 569069517 /nfs/dbraw/zinc/06/95/17/569069517.db2.gz BAFZEQIGSGWTCJ-UHFFFAOYSA-N 0 0 422.466 2.872 50 0 HFAARN COc1ccc(N2C(=O)C[C@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)c(OC)c1 ZINC000100791499 569069856 /nfs/dbraw/zinc/06/98/56/569069856.db2.gz SUXXDRKFFNDTOB-FQEVSTJZSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN Cc1c(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)sc2nccn12 ZINC000089565365 569070297 /nfs/dbraw/zinc/07/02/97/569070297.db2.gz DLRIAAXSXMNAPW-UHFFFAOYSA-N 0 0 404.455 2.814 50 0 HFAARN CCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCCO4)cccc2c1=O ZINC000016689947 569070595 /nfs/dbraw/zinc/07/05/95/569070595.db2.gz GTQIHQXYUMSTOT-UHFFFAOYSA-N 0 0 424.453 2.827 50 0 HFAARN C[C@H](Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1)C(=O)NC1CCCCC1 ZINC000004414055 569071334 /nfs/dbraw/zinc/07/13/34/569071334.db2.gz GYDPAHZIRBDYEU-INIZCTEOSA-N 0 0 417.531 2.776 50 0 HFAARN COc1ccc(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006608007 569071819 /nfs/dbraw/zinc/07/18/19/569071819.db2.gz SDSZPASYZDKCIA-UHFFFAOYSA-N 0 0 400.475 2.576 50 0 HFAARN CCOC(=O)[C@](NC(=O)c1ccncc1)(OCc1ccc(OC)cc1)C(F)(F)F ZINC000002050058 569072043 /nfs/dbraw/zinc/07/20/43/569072043.db2.gz UGZFKIVMLGTEFF-SFHVURJKSA-N 0 0 412.364 2.859 50 0 HFAARN Cc1noc(C)c1CN1CCc2c(C(=O)NC(C)(C)C(=O)N(C)C)csc2C1 ZINC000426389281 569072624 /nfs/dbraw/zinc/07/26/24/569072624.db2.gz QUOMHWLWSISISH-UHFFFAOYSA-N 0 0 404.536 2.508 50 0 HFAARN CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426395148 569072678 /nfs/dbraw/zinc/07/26/78/569072678.db2.gz HUGGOTNZNFDEFR-CQSZACIVSA-N 0 0 404.478 2.687 50 0 HFAARN O=C(c1c[nH]c(=O)cc1O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426548969 569073417 /nfs/dbraw/zinc/07/34/17/569073417.db2.gz ZVNMEMIVCNXMSG-QHCPKHFHSA-N 0 0 409.486 2.580 50 0 HFAARN CCNC(=O)[C@@H](C)NC(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 ZINC000426683917 569073816 /nfs/dbraw/zinc/07/38/16/569073816.db2.gz PVKURNKULNJRNE-CQSZACIVSA-N 0 0 400.548 2.518 50 0 HFAARN CCOC(=O)c1c(C)c(C(=O)CN(CCOC)C(=O)c2cccs2)c(C)n1C ZINC000035989537 569074303 /nfs/dbraw/zinc/07/43/03/569074303.db2.gz XKXWFEHOMAGFIY-UHFFFAOYSA-N 0 0 406.504 2.852 50 0 HFAARN Cc1cc(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(C)cc(=O)oc2c1 ZINC000006624144 569075456 /nfs/dbraw/zinc/07/54/56/569075456.db2.gz HDQVWCJLRKWFKH-SJORKVTESA-N 0 0 420.465 2.596 50 0 biogenic HFAARN COCCN(C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036003432 569075603 /nfs/dbraw/zinc/07/56/03/569075603.db2.gz HRQRHBAABWHOIY-AWEZNQCLSA-N 0 0 404.438 2.917 50 0 HFAARN COCCN(C(=O)c1ccc(OC)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036003442 569075605 /nfs/dbraw/zinc/07/56/05/569075605.db2.gz YBGUZWZGFCECDN-HNNXBMFYSA-N 0 0 416.474 2.787 50 0 HFAARN O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)N1CCOCC1 ZINC000036009776 569075671 /nfs/dbraw/zinc/07/56/71/569075671.db2.gz YGDJROFLSAMACN-OAQYLSRUSA-N 0 0 401.894 2.712 50 0 HFAARN CCn1c(C)c(C(=O)CN(CCCOC)C(=O)c2ccco2)c(C)c1C(=O)OC ZINC000036018677 569077199 /nfs/dbraw/zinc/07/71/99/569077199.db2.gz BZPXVTXLJGDGGD-UHFFFAOYSA-N 0 0 404.463 2.866 50 0 HFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000006638129 569077223 /nfs/dbraw/zinc/07/72/23/569077223.db2.gz AIMPAXADQULFLD-UHFFFAOYSA-N 0 0 411.263 2.950 50 0 HFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 ZINC000036022506 569077466 /nfs/dbraw/zinc/07/74/66/569077466.db2.gz PYPYJZDIKOLOAV-UHFFFAOYSA-N 0 0 413.971 2.729 50 0 HFAARN CCCNC(=O)N1CCN(c2nc(C)nc3c2c(C)nn3-c2ccccc2C)CC1 ZINC000036019753 569078086 /nfs/dbraw/zinc/07/80/86/569078086.db2.gz GZTHPTYPDXCLMI-UHFFFAOYSA-N 0 0 407.522 2.982 50 0 HFAARN CCCN1C(=O)[C@H](C)NC12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027196 569079901 /nfs/dbraw/zinc/07/99/01/569079901.db2.gz BFAUMYHBKAUNEL-LBPRGKRZSA-N 0 0 420.362 2.705 50 0 HFAARN CCCNC(=O)[C@H]1CN(C(=O)CC(C)C)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044208 569081645 /nfs/dbraw/zinc/08/16/45/569081645.db2.gz XHOXKBDAXSIXAE-SJORKVTESA-N 0 0 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Cc1cc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)n(-c2ccccc2)n1 ZINC000007737389 569304874 /nfs/dbraw/zinc/30/48/74/569304874.db2.gz JUQKELLEUQZMQE-UHFFFAOYSA-N 0 0 411.487 2.862 50 0 HFAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(OC)c1 ZINC000007742297 569306077 /nfs/dbraw/zinc/30/60/77/569306077.db2.gz HZYBDPHLIVSNBA-IBGZPJMESA-N 0 0 418.515 2.883 50 0 HFAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccc4c(c3)OCCO4)ccc12 ZINC000007743845 569306197 /nfs/dbraw/zinc/30/61/97/569306197.db2.gz BVDFQLZBLYJVSJ-UHFFFAOYSA-N 0 0 410.378 2.678 50 0 HFAARN Cc1ccc(-c2noc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000007759969 569307329 /nfs/dbraw/zinc/30/73/29/569307329.db2.gz ORMCJTZBFYERSK-UHFFFAOYSA-N 0 0 404.426 2.738 50 0 HFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ZINC000007779265 569309113 /nfs/dbraw/zinc/30/91/13/569309113.db2.gz VVJKEDCKCAWSCO-DEOSSOPVSA-N 0 0 418.497 2.770 50 0 HFAARN O=C(NCc1cn2ccccc2n1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007798853 569311212 /nfs/dbraw/zinc/31/12/12/569311212.db2.gz XENSSHIICJMPDZ-UHFFFAOYSA-N 0 0 418.906 2.702 50 0 HFAARN CCCNC(=O)[C@H](C)Sc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C ZINC000007829075 569313409 /nfs/dbraw/zinc/31/34/09/569313409.db2.gz DAWJFHIMWFZHBM-ZDUSSCGKSA-N 0 0 405.520 2.846 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(F)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252671199 569319373 /nfs/dbraw/zinc/31/93/73/569319373.db2.gz MYNICRDIBCJZMH-HXUWFJFHSA-N 0 0 422.481 2.937 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000252671045 569319382 /nfs/dbraw/zinc/31/93/82/569319382.db2.gz MMWGRJPPAOVCSO-QGZVFWFLSA-N 0 0 414.508 2.761 50 0 HFAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(F)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252671198 569319390 /nfs/dbraw/zinc/31/93/90/569319390.db2.gz MYNICRDIBCJZMH-FQEVSTJZSA-N 0 0 422.481 2.937 50 0 HFAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000252675872 569319594 /nfs/dbraw/zinc/31/95/94/569319594.db2.gz VIDXMUZHQADPFJ-ODSDXHIHSA-N 0 0 406.463 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/nfs/dbraw/zinc/33/80/62/132338062.db2.gz ZIGUFPWGBZCFLO-UHFFFAOYSA-N 0 0 413.503 2.513 50 0 HFAARN C[C@@H](NC(=O)CCN1C(=O)CSc2ccccc21)c1ccc(-n2cncn2)cc1 ZINC000009336413 132338759 /nfs/dbraw/zinc/33/87/59/132338759.db2.gz VZANJOYIBIZXEA-OAHLLOKOSA-N 0 0 407.499 2.974 50 0 HFAARN O=C(c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1)N1CCCC1 ZINC000009833118 132343500 /nfs/dbraw/zinc/34/35/00/132343500.db2.gz ZNZVMPFLKRHRTP-UHFFFAOYSA-N 0 0 423.535 2.634 50 0 HFAARN Cc1cc2ccccc2n1CC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000010622027 132346250 /nfs/dbraw/zinc/34/62/50/132346250.db2.gz CCQYZONJAAEJFT-UHFFFAOYSA-N 0 0 409.461 2.981 50 0 HFAARN Cc1cccc(N2N=C(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CCC2=O)c1 ZINC000010775391 132346440 /nfs/dbraw/zinc/34/64/40/132346440.db2.gz KCIKVNKTZSVWJQ-UHFFFAOYSA-N 0 0 418.497 2.899 50 0 HFAARN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N1CCN(c2ccccn2)CC1 ZINC000010765194 132346460 /nfs/dbraw/zinc/34/64/60/132346460.db2.gz GBTIXFWYWPOFPB-UHFFFAOYSA-N 0 0 424.530 2.633 50 0 HFAARN COc1ccc(OC)c(NC(=O)CNc2ccc(N3CCCCC3)cc2C(N)=O)c1 ZINC000011010364 132347148 /nfs/dbraw/zinc/34/71/48/132347148.db2.gz NAQNYVDHTJCAGR-UHFFFAOYSA-N 0 0 412.490 2.844 50 0 HFAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(c2cnccn2)CC1 ZINC000011546132 132348370 /nfs/dbraw/zinc/34/83/70/132348370.db2.gz KVTDCTUXGLERNP-UHFFFAOYSA-N 0 0 415.501 2.571 50 0 HFAARN O=C(CSc1ccc(NC(=O)c2ccco2)nn1)N1CCN(c2ccccc2)CC1 ZINC000011696694 132349355 /nfs/dbraw/zinc/34/93/55/132349355.db2.gz YCBBMYNCUAOOMF-UHFFFAOYSA-N 0 0 423.498 2.763 50 0 HFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 ZINC000011697493 132349621 /nfs/dbraw/zinc/34/96/21/132349621.db2.gz ZLANLSMOQLXPEC-UHFFFAOYSA-N 0 0 420.473 2.595 50 0 HFAARN Cc1cccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 ZINC000011697265 132349647 /nfs/dbraw/zinc/34/96/47/132349647.db2.gz DBGGTBOZUWCSEZ-UHFFFAOYSA-N 0 0 424.530 2.743 50 0 HFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 ZINC000011697587 132349729 /nfs/dbraw/zinc/34/97/29/132349729.db2.gz JMZDMKJAPZGPQK-UHFFFAOYSA-N 0 0 424.530 2.689 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 ZINC000011697710 132349869 /nfs/dbraw/zinc/34/98/69/132349869.db2.gz RAMHFMWMRRNKQP-UHFFFAOYSA-N 0 0 424.530 2.743 50 0 HFAARN COc1ccccc1N1CCN(CCNC(=O)c2ccc(Br)o2)CC1 ZINC000011900200 132351795 /nfs/dbraw/zinc/35/17/95/132351795.db2.gz YPALNKUTMSLCAF-UHFFFAOYSA-N 0 0 408.296 2.603 50 0 HFAARN Cc1ccc(CN2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)o1 ZINC000012041636 132353244 /nfs/dbraw/zinc/35/32/44/132353244.db2.gz MIUVPSWAZHZUKH-QGZVFWFLSA-N 0 0 409.486 2.685 50 0 HFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC000012443462 132360359 /nfs/dbraw/zinc/36/03/59/132360359.db2.gz YSDAZPLSMBANBY-UHFFFAOYSA-N 0 0 415.906 2.703 50 0 HFAARN O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@@H]1COc2ccccc2C1 ZINC000012517211 132361482 /nfs/dbraw/zinc/36/14/82/132361482.db2.gz OKGAQZCWLLTSBC-IBGZPJMESA-N 0 0 423.513 2.550 50 0 HFAARN Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)c1C ZINC000012556380 132363736 /nfs/dbraw/zinc/36/37/36/132363736.db2.gz BLMRXOSNKGRVCI-UHFFFAOYSA-N 0 0 413.543 2.707 50 0 HFAARN Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012592369 132364751 /nfs/dbraw/zinc/36/47/51/132364751.db2.gz IWLKJYGGFAPORF-UHFFFAOYSA-N 0 0 410.499 2.501 50 0 HFAARN C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 ZINC000012606246 132364970 /nfs/dbraw/zinc/36/49/70/132364970.db2.gz SMTGJKUDTUIMEF-HXUWFJFHSA-N 0 0 410.537 2.853 50 0 HFAARN Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012638479 132365643 /nfs/dbraw/zinc/36/56/43/132365643.db2.gz VCYUEELOADNSDN-UHFFFAOYSA-N 0 0 400.910 2.796 50 0 HFAARN C[C@]1(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)Cc2ccccc2C(=O)O1 ZINC000012754597 132366723 /nfs/dbraw/zinc/36/67/23/132366723.db2.gz XGTULZNIZVTWJE-HXUWFJFHSA-N 0 0 419.403 2.921 50 0 HFAARN Cc1cc2oc(=O)cc(CN3CCN(c4ncnc5c4cnn5C)CC3)c2cc1Cl ZINC000013005447 132451467 /nfs/dbraw/zinc/45/14/67/132451467.db2.gz RCKYMADHMLTVKA-UHFFFAOYSA-N 0 0 424.892 2.754 50 0 HFAARN Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCCCN(C)c1ccccc1 ZINC000013362597 132455359 /nfs/dbraw/zinc/45/53/59/132455359.db2.gz KJHFVYMIFHMGED-UHFFFAOYSA-N 0 0 409.490 2.624 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000014379552 132460283 /nfs/dbraw/zinc/46/02/83/132460283.db2.gz NHQLXTCGHJUABC-UHFFFAOYSA-N 0 0 405.458 2.542 50 0 HFAARN CCCCn1c(CN2CCN(c3cccc(OC)c3)CC2)cnc1S(=O)(=O)CC ZINC000015080070 132461287 /nfs/dbraw/zinc/46/12/87/132461287.db2.gz CLTIZRHQXZPUGU-UHFFFAOYSA-N 0 0 420.579 2.808 50 0 HFAARN O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000016648824 132464030 /nfs/dbraw/zinc/46/40/30/132464030.db2.gz JFZMHFXCKKKQJM-LJQANCHMSA-N 0 0 415.497 2.857 50 0 HFAARN Cc1cc(C)cc(N2C(=O)c3ccccc3/C(=C\N[C@@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000020519511 132470286 /nfs/dbraw/zinc/47/02/86/132470286.db2.gz MPIMKGYFMUXLPS-DDLUMYACSA-N 0 0 410.495 2.608 50 0 HFAARN COC(=O)c1ncn2c1C(=O)N(c1cccc(C)c1C)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021872728 132473793 /nfs/dbraw/zinc/47/37/93/132473793.db2.gz NOXJFRVHBXDVTR-HSZRJFAPSA-N 0 0 424.501 2.764 50 0 HFAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(C)c(C)c1)[C@@](C)(C(=O)NC1CCCC1)C2 ZINC000021872817 132473804 /nfs/dbraw/zinc/47/38/04/132473804.db2.gz BOPHASSYWFHVMF-HSZRJFAPSA-N 0 0 424.501 2.764 50 0 HFAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc(N2CCOCC2)cc1 ZINC000023198133 132478975 /nfs/dbraw/zinc/47/89/75/132478975.db2.gz MMNADGWFPPODGG-UHFFFAOYSA-N 0 0 424.526 2.881 50 0 HFAARN O=C(Nc1ccc(N2CCOCC2)cn1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000024926414 132485087 /nfs/dbraw/zinc/48/50/87/132485087.db2.gz SKGJECVQSJUPGX-UHFFFAOYSA-N 0 0 407.449 2.984 50 0 HFAARN O=C(Cn1cnc2c3cc(F)ccc3[nH]c2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000035423594 132801861 /nfs/dbraw/zinc/80/18/61/132801861.db2.gz OAXWIYSFUPMKQB-UHFFFAOYSA-N 0 0 423.423 2.505 50 0 HFAARN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1ncn(CC(=O)NCCC2=CCCCC2)n1 ZINC000225826649 518810607 /nfs/dbraw/zinc/81/06/07/518810607.db2.gz KECQNGZYOIAAID-QGZVFWFLSA-N 0 0 419.526 2.593 50 0 HFAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000040456674 518810727 /nfs/dbraw/zinc/81/07/27/518810727.db2.gz AQKVPXFKSGCQHL-UHFFFAOYSA-N 0 0 405.314 2.691 50 0 HFAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](C)c3ccccn3)cc(C3CC3)nc21 ZINC000045008019 519483952 /nfs/dbraw/zinc/48/39/52/519483952.db2.gz KPPUSSJFKCNIFZ-ZDUSSCGKSA-N 0 0 407.474 2.504 50 0 HFAARN CC(C)Cn1c(SCC(=O)NCCc2cccs2)nc2ncccc2c1=O ZINC000032893471 519486726 /nfs/dbraw/zinc/48/67/26/519486726.db2.gz MICTYDAGJZSINB-UHFFFAOYSA-N 0 0 402.545 2.960 50 0 HFAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc4c(c3)CCC(=O)N4)ccc21 ZINC000032841162 519631331 /nfs/dbraw/zinc/63/13/31/519631331.db2.gz AJXRUIXOETXAPE-ZDUSSCGKSA-N 0 0 406.438 2.909 50 0 HFAARN CC(C)CC[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000032825602 519691338 /nfs/dbraw/zinc/69/13/38/519691338.db2.gz CSQRBKVSPRCKJK-JTQLQIEISA-N 0 0 405.314 2.883 50 0 HFAARN CC(C)NC(=O)CN1CCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000044838848 519706784 /nfs/dbraw/zinc/70/67/84/519706784.db2.gz YYWLGAAAPAKWPY-UHFFFAOYSA-N 0 0 405.502 2.512 50 0 HFAARN CC(C)COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1Cl ZINC000032809471 519763304 /nfs/dbraw/zinc/76/33/04/519763304.db2.gz CKPSWYBQSYRYGY-UHFFFAOYSA-N 0 0 416.865 2.573 50 0 HFAARN CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1 ZINC000032820719 520056188 /nfs/dbraw/zinc/05/61/88/520056188.db2.gz PITSUGSHGLDGGI-LJQANCHMSA-N 0 0 418.515 2.979 50 0 HFAARN CCN(CC)C(=O)CSc1nnc(SCC(=O)NCc2cccs2)s1 ZINC000032947327 520494826 /nfs/dbraw/zinc/49/48/26/520494826.db2.gz XFBBFANHQSQHIY-UHFFFAOYSA-N 0 0 416.619 2.969 50 0 HFAARN CCOC(=O)C1CCN(C(=O)CN2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000045004315 520559227 /nfs/dbraw/zinc/55/92/27/520559227.db2.gz UYGJYFATGXURLC-GOSISDBHSA-N 0 0 404.507 2.642 50 0 HFAARN CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)CSc3ccccn3)CC2)nn1 ZINC000244817227 520563640 /nfs/dbraw/zinc/56/36/40/520563640.db2.gz SWSRTUIEEXPRKA-IYBDPMFKSA-N 0 0 416.551 2.547 50 0 HFAARN CCOc1cc2c(cc1CNC(=O)c1ccc(N3C(=O)CCC3=O)cc1)O[C@H](C)C2 ZINC000032741036 520793064 /nfs/dbraw/zinc/79/30/64/520793064.db2.gz AEVMPLIWEBWAKG-CQSZACIVSA-N 0 0 408.454 2.992 50 0 HFAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4cccs4)no2)c3=O)cc1 ZINC000044166623 520840119 /nfs/dbraw/zinc/84/01/19/520840119.db2.gz NFXJSBXRPGLTBQ-UHFFFAOYSA-N 0 0 421.442 2.536 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)CN(C)Cc2ccccc2Br)CC1 ZINC000032753332 520924438 /nfs/dbraw/zinc/92/44/38/520924438.db2.gz SKOQCNSXWZWJFC-UHFFFAOYSA-N 0 0 412.328 2.618 50 0 HFAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 ZINC000032905001 521313132 /nfs/dbraw/zinc/31/31/32/521313132.db2.gz KSBGBVLAOOZPEL-UHFFFAOYSA-N 0 0 402.925 2.981 50 0 HFAARN CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1=O ZINC000040478546 521358753 /nfs/dbraw/zinc/35/87/53/521358753.db2.gz JMUXVIMOHDRCMD-UHFFFAOYSA-N 0 0 408.458 2.560 50 0 HFAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4c(c3)OCO4)cc(C(C)C)nc21 ZINC000032031691 521614516 /nfs/dbraw/zinc/61/45/16/521614516.db2.gz WGTQYRFVZAJQAS-UHFFFAOYSA-N 0 0 410.430 2.599 50 0 HFAARN CCCn1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1 ZINC000225700703 521655932 /nfs/dbraw/zinc/65/59/32/521655932.db2.gz KLESMEAEJUMNKS-UHFFFAOYSA-N 0 0 424.954 2.664 50 0 HFAARN CCN1C[C@H](CN(C)S(=O)(=O)c2cccc3nsnc32)Oc2ccccc21 ZINC000032780581 521729827 /nfs/dbraw/zinc/72/98/27/521729827.db2.gz WKEPSWNHWJUJHF-ZDUSSCGKSA-N 0 0 404.517 2.599 50 0 HFAARN CCNC(=O)CN1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)CC1 ZINC000032769457 521737361 /nfs/dbraw/zinc/73/73/61/521737361.db2.gz BVHPKXYVCMAMRF-UHFFFAOYSA-N 0 0 418.588 2.638 50 0 HFAARN CCc1ccccc1-n1ncc2c1NC(=O)C[C@@]21c2ccccc2N(CC(N)=O)C1=O ZINC000032104199 521804530 /nfs/dbraw/zinc/80/45/30/521804530.db2.gz OIHONBCIARYZSS-HSZRJFAPSA-N 0 0 415.453 2.544 50 0 HFAARN CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1ccccc1 ZINC000024761327 521818638 /nfs/dbraw/zinc/81/86/38/521818638.db2.gz SUTAQQOKTVRHLI-OAQYLSRUSA-N 0 0 414.527 2.916 50 0 HFAARN CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NCc1ccccc1OC ZINC000253487682 521850495 /nfs/dbraw/zinc/85/04/95/521850495.db2.gz NYRGXQKQJYLSSV-SAWYMBPVSA-N 0 0 409.530 2.557 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000032902122 521899840 /nfs/dbraw/zinc/89/98/40/521899840.db2.gz YCFHPPDHCWHWOI-UHFFFAOYSA-N 0 0 406.479 2.714 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000010503875 521996965 /nfs/dbraw/zinc/99/69/65/521996965.db2.gz HTCYRRVTHGYQPL-MRXNPFEDSA-N 0 0 412.515 2.833 50 0 HFAARN COc1cc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)cc(OC)c1Br ZINC000032764976 522055839 /nfs/dbraw/zinc/05/58/39/522055839.db2.gz LZMAHUQTYZTAPB-UHFFFAOYSA-N 0 0 407.264 2.837 50 0 HFAARN COCCn1c(C)c(C)nc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032894058 522058787 /nfs/dbraw/zinc/05/87/87/522058787.db2.gz CDGWAZHVQULLPY-UHFFFAOYSA-N 0 0 402.520 2.769 50 0 HFAARN CNS(=O)(=O)c1ccc(CNC(=O)c2sc(Cc3ccccc3)nc2C)cc1 ZINC000032914485 522288467 /nfs/dbraw/zinc/28/84/67/522288467.db2.gz JBJCYFAAZBBCDM-UHFFFAOYSA-N 0 0 415.540 2.880 50 0 HFAARN COc1cc(CCNC(C)=O)c(S(=O)(=O)Nc2cccc(F)c2C)cc1OC ZINC000041107698 522335794 /nfs/dbraw/zinc/33/57/94/522335794.db2.gz LQGGXZIVNGHBIM-UHFFFAOYSA-N 0 0 410.467 2.631 50 0 HFAARN COC(OC)[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000390832711 522537366 /nfs/dbraw/zinc/53/73/66/522537366.db2.gz LTEURUKAUGVCGJ-IINYFYTJSA-N 0 0 423.362 2.969 50 0 HFAARN COC(CNc1ncnc2c3c4c(c(N5CCOCC5)nc3sc21)CCC4)OC ZINC000020391590 522537848 /nfs/dbraw/zinc/53/78/48/522537848.db2.gz XKVPRASIGGIPLT-UHFFFAOYSA-N 0 0 415.519 2.596 50 0 HFAARN COc1cc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000048985249 522632034 /nfs/dbraw/zinc/63/20/34/522632034.db2.gz UOFZHHLLNVTOMD-UHFFFAOYSA-N 0 0 404.898 2.953 50 0 HFAARN CCc1nnc(NC(=O)[C@H](C)S(=O)(=O)Cc2cccc(Br)c2)s1 ZINC000032742779 522772801 /nfs/dbraw/zinc/77/28/01/522772801.db2.gz 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Cn1nccc1CNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000002798247 557762140 /nfs/dbraw/zinc/76/21/40/557762140.db2.gz YXCYOKHSHDYUPD-UHFFFAOYSA-N 0 0 424.686 2.999 50 0 HFAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000008246277 557777637 /nfs/dbraw/zinc/77/76/37/557777637.db2.gz ILAVRGQHQLPHQL-KRWDZBQOSA-N 0 0 411.477 2.994 50 0 HFAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CS(=O)(=O)C3)cc1 ZINC000003009385 557779184 /nfs/dbraw/zinc/77/91/84/557779184.db2.gz GSVCNKPPUKVMAO-UHFFFAOYSA-N 0 0 401.419 2.701 50 0 HFAARN Cc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 ZINC000003007730 557781416 /nfs/dbraw/zinc/78/14/16/557781416.db2.gz UJLZAWBIHQEHEU-UHFFFAOYSA-N 0 0 405.454 2.630 50 0 HFAARN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N1CCOCC1 ZINC000008334489 557782279 /nfs/dbraw/zinc/78/22/79/557782279.db2.gz BBHWUBAREOYQMH-UHFFFAOYSA-N 0 0 404.275 2.906 50 0 HFAARN COCCCNC(=O)CN1C(=O)c2c(c3ccccc3n2C)[C@H]1c1ccc(OC)cc1 ZINC000008594192 557796277 /nfs/dbraw/zinc/79/62/77/557796277.db2.gz 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CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000009525851 557844849 /nfs/dbraw/zinc/84/48/49/557844849.db2.gz JGXWLJWIUORDLU-QGZVFWFLSA-N 0 0 424.453 2.707 50 0 HFAARN O=C(NN1C[C@@H](C(=O)OCc2ccc(Br)cc2)CC1=O)c1ccccc1 ZINC000009591714 557846341 /nfs/dbraw/zinc/84/63/41/557846341.db2.gz LTANULXABATKNZ-HNNXBMFYSA-N 0 0 417.259 2.686 50 0 HFAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000010059739 557854817 /nfs/dbraw/zinc/85/48/17/557854817.db2.gz STCOGPXMOHYVEE-OAHLLOKOSA-N 0 0 424.544 2.917 50 0 HFAARN COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c(=O)c3Nc3nnnn32)c(OC)c1 ZINC000010232605 557857483 /nfs/dbraw/zinc/85/74/83/557857483.db2.gz QNWWYPRNUZYZIC-LJQANCHMSA-N 0 0 417.429 2.856 50 0 HFAARN O=c1[nH]nc(-c2ccco2)c2c1Nc1nnnn1[C@@H]2c1ccc(Br)cc1 ZINC000010297491 557858740 /nfs/dbraw/zinc/85/87/40/557858740.db2.gz DIZTXMJPAWDHAM-CQSZACIVSA-N 0 0 412.207 2.886 50 0 HFAARN CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCC(C)CC1 ZINC000011411268 558263889 /nfs/dbraw/zinc/26/38/89/558263889.db2.gz ZXSALIXSLSTAMY-UHFFFAOYSA-N 0 0 419.526 2.969 50 0 HFAARN Cc1cc(CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)[nH]n1 ZINC000011664135 558267515 /nfs/dbraw/zinc/26/75/15/558267515.db2.gz DYXRZSJBQKDHFN-UHFFFAOYSA-N 0 0 415.563 2.971 50 0 HFAARN CC[C@@H]1CN(CCNC(=O)c2cc(C(C)C)nn2C)Cc2cc(OC)ccc2O1 ZINC000011782775 558275111 /nfs/dbraw/zinc/27/51/11/558275111.db2.gz HDUBMSQJVWQBRC-QGZVFWFLSA-N 0 0 400.523 2.955 50 0 HFAARN Cc1cccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)cnn2-c2ccccc2)c1 ZINC000019790791 558282499 /nfs/dbraw/zinc/28/24/99/558282499.db2.gz MIDPJASMXSPFAS-UHFFFAOYSA-N 0 0 403.486 2.821 50 0 HFAARN O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011819197 558282512 /nfs/dbraw/zinc/28/25/12/558282512.db2.gz IJDMHUXFJXAQET-KRWDZBQOSA-N 0 0 408.477 2.842 50 0 HFAARN Cc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000011819485 558282770 /nfs/dbraw/zinc/28/27/70/558282770.db2.gz JAKZKQHBZHGKEV-FQEVSTJZSA-N 0 0 411.550 2.697 50 0 HFAARN CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)CC1 ZINC000019798279 558284781 /nfs/dbraw/zinc/28/47/81/558284781.db2.gz NGXZDUMCZAGUAS-UHFFFAOYSA-N 0 0 407.449 2.651 50 0 HFAARN COc1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1OC1CCN(C(C)=O)CC1 ZINC000011840520 558286662 /nfs/dbraw/zinc/28/66/62/558286662.db2.gz FITOMCSGJSZBGP-LJQANCHMSA-N 0 0 404.507 2.726 50 0 HFAARN COc1ccccc1CN1C[C@@H](C(=O)N(C)Cc2ccc3nonc3c2)CCC1=O ZINC000011841251 558286878 /nfs/dbraw/zinc/28/68/78/558286878.db2.gz LGUGIBVYYJAKHL-KRWDZBQOSA-N 0 0 408.458 2.629 50 0 HFAARN COC(=O)CCCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000011873141 558290862 /nfs/dbraw/zinc/29/08/62/558290862.db2.gz LVFMYFBNQZXJGZ-HNNXBMFYSA-N 0 0 410.461 2.943 50 0 HFAARN COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CN2CCN(C)CC2)cc1 ZINC000019835235 558292387 /nfs/dbraw/zinc/29/23/87/558292387.db2.gz UJVVWGZXMYDGMZ-WIOPSUGQSA-N 0 0 418.541 2.793 50 0 HFAARN COc1cc(C(=S)N2CCN(CCO)CC2)ccc1OCc1ccc(C)cc1 ZINC000019840701 558294018 /nfs/dbraw/zinc/29/40/18/558294018.db2.gz JATBEANDVRLSNK-UHFFFAOYSA-N 0 0 400.544 2.868 50 0 HFAARN CSc1ncc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000011879776 558294543 /nfs/dbraw/zinc/29/45/43/558294543.db2.gz PGFINLFIYRJDIP-CQSZACIVSA-N 0 0 400.504 2.569 50 0 HFAARN CN(C(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1)c1ccccc1 ZINC000019851991 558295967 /nfs/dbraw/zinc/29/59/67/558295967.db2.gz BQSZMERLNRUJJR-UHFFFAOYSA-N 0 0 423.542 2.855 50 0 HFAARN CSCC[C@H](NC(C)=O)C(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 ZINC000011909570 558296362 /nfs/dbraw/zinc/29/63/62/558296362.db2.gz PUFOBCXXFSVLKM-MJGOQNOKSA-N 0 0 413.543 2.735 50 0 HFAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1 ZINC000019857205 558296561 /nfs/dbraw/zinc/29/65/61/558296561.db2.gz WNGMTTMUIDMORS-LJQANCHMSA-N 0 0 402.516 2.553 50 0 HFAARN COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Br)cc1Cl ZINC000011914297 558297421 /nfs/dbraw/zinc/29/74/21/558297421.db2.gz TUBNYYGPKSXALG-UHFFFAOYSA-N 0 0 420.672 2.557 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019889746 558302775 /nfs/dbraw/zinc/30/27/75/558302775.db2.gz BOGMZFONSQDYCG-UHFFFAOYSA-N 0 0 407.923 2.805 50 0 HFAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCOC(C)C)c1 ZINC000011951173 558303005 /nfs/dbraw/zinc/30/30/05/558303005.db2.gz PPKDNBXTNOUHAN-UHFFFAOYSA-N 0 0 404.507 2.630 50 0 HFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C)s2)CC3)CC1 ZINC000011963625 558303794 /nfs/dbraw/zinc/30/37/94/558303794.db2.gz AEAYKUAHRYLJQT-INIZCTEOSA-N 0 0 419.547 2.600 50 0 HFAARN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000019897876 558304240 /nfs/dbraw/zinc/30/42/40/558304240.db2.gz IKELQDIYRFBJOB-HXUWFJFHSA-N 0 0 404.894 2.917 50 0 HFAARN COc1ccccc1-n1cc(CNC(=O)CN2Cc3ccccc3O[C@H](C)C2)cn1 ZINC000012026490 558310256 /nfs/dbraw/zinc/31/02/56/558310256.db2.gz MRMJNDDPKYGCPB-QGZVFWFLSA-N 0 0 406.486 2.780 50 0 HFAARN CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1ccccc1)CC2)c1ccccc1 ZINC000064566743 558314071 /nfs/dbraw/zinc/31/40/71/558314071.db2.gz WSSKWXDPERKMGM-UHFFFAOYSA-N 0 0 424.526 2.720 50 0 HFAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCN2CCCCC2=O)C1 ZINC000012058459 558316875 /nfs/dbraw/zinc/31/68/75/558316875.db2.gz PRWKHMQNQJHUKX-QHCPKHFHSA-N 0 0 418.509 2.943 50 0 HFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1)CC2 ZINC000012078569 558320429 /nfs/dbraw/zinc/32/04/29/558320429.db2.gz UYONEWIEYWKRLJ-KRZKXXONSA-N 0 0 412.465 2.818 50 0 HFAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)CN1CCOCC1 ZINC000020026783 558322603 /nfs/dbraw/zinc/32/26/03/558322603.db2.gz CHYCFRZVTJOEHL-UHFFFAOYSA-N 0 0 416.485 2.832 50 0 HFAARN Cc1ccc(CN2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2=O)cc1 ZINC000012091588 558324108 /nfs/dbraw/zinc/32/41/08/558324108.db2.gz AALRSQKILNZJRN-UHFFFAOYSA-N 0 0 423.904 2.773 50 0 HFAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccco2)cc1Cl ZINC000020068942 558330552 /nfs/dbraw/zinc/33/05/52/558330552.db2.gz QLCYKKMSINLPHM-CVEARBPZSA-N 0 0 419.894 2.917 50 0 HFAARN CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CCN(C2CCOCC2)CC1 ZINC000020119530 558336708 /nfs/dbraw/zinc/33/67/08/558336708.db2.gz ADDPQLJTYCDTBC-UHFFFAOYSA-N 0 0 413.511 2.566 50 0 HFAARN Cc1c(Cl)cccc1Nc1nc(N)nc(CSC(=S)N2CCN(C)CC2)n1 ZINC000020135860 558337709 /nfs/dbraw/zinc/33/77/09/558337709.db2.gz YXYDWZLGRXHNGJ-UHFFFAOYSA-N 0 0 423.999 2.925 50 0 HFAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)C1 ZINC000012155403 558340046 /nfs/dbraw/zinc/34/00/46/558340046.db2.gz AWHRNDNNPACBJY-WAIKUNEKSA-N 0 0 416.493 2.696 50 0 HFAARN CN(CCN1CCOCC1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000020149153 558340084 /nfs/dbraw/zinc/34/00/84/558340084.db2.gz HCAFJEMXNXVZEU-UHFFFAOYSA-N 0 0 419.595 2.566 50 0 HFAARN COc1ccc(C[C@@]2(CCC(=O)NCCCc3cccnc3)CCC(=O)N2)c(F)c1 ZINC000012164544 558342200 /nfs/dbraw/zinc/34/22/00/558342200.db2.gz FGGXTYCKTITRSS-HSZRJFAPSA-N 0 0 413.493 2.950 50 0 HFAARN O=C(c1ccco1)[C@H]([C@@H](c1cccc(Cl)c1)N1CCOCC1)N1CCOCC1 ZINC000020192818 558344800 /nfs/dbraw/zinc/34/48/00/558344800.db2.gz XHSHEEBEIJNUQL-UXHICEINSA-N 0 0 404.894 2.890 50 0 HFAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 ZINC000012191373 558347645 /nfs/dbraw/zinc/34/76/45/558347645.db2.gz FOZISAAZGSHPQE-KNQAVFIVSA-N 0 0 406.482 2.987 50 0 HFAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc(OC)c1 ZINC000012195566 558349358 /nfs/dbraw/zinc/34/93/58/558349358.db2.gz SYXSGFHPWXNFCF-QGZVFWFLSA-N 0 0 414.506 2.866 50 0 HFAARN Cn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c2ccccc21 ZINC000012200810 558351268 /nfs/dbraw/zinc/35/12/68/558351268.db2.gz RENVESKHUDHCJT-INIZCTEOSA-N 0 0 421.501 2.827 50 0 HFAARN COCCNC(=O)c1ccc(OC2CCN(Cc3nc(C)c[nH]3)CC2)c(Cl)c1 ZINC000012203078 558351994 /nfs/dbraw/zinc/35/19/94/558351994.db2.gz XIZSCTGMCKKQEE-UHFFFAOYSA-N 0 0 406.914 2.791 50 0 HFAARN COc1ccccc1NC(=O)CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000020274980 558353370 /nfs/dbraw/zinc/35/33/70/558353370.db2.gz JGXGFSQFDRVFEK-UHFFFAOYSA-N 0 0 407.455 2.848 50 0 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COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc(OC)c1OC ZINC000023080150 558533623 /nfs/dbraw/zinc/53/36/23/558533623.db2.gz GGXGZGVXHGCRFX-OAHLLOKOSA-N 0 0 406.504 2.577 50 0 HFAARN CCCN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4OC)nn3c2=O)C1=O ZINC000013510713 558535574 /nfs/dbraw/zinc/53/55/74/558535574.db2.gz UXBQPOJBYSQRTJ-ZCXUNETKSA-N 0 0 418.478 2.501 50 0 HFAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2ccc3c(c2)OCO3)n1 ZINC000023126939 558536399 /nfs/dbraw/zinc/53/63/99/558536399.db2.gz IWCVNPACAVROJU-UHFFFAOYSA-N 0 0 419.484 2.804 50 0 HFAARN COc1ccc(CCNC(=O)CCSc2nc(Cl)nc3[nH]cnc32)cc1OC ZINC000013552869 558539493 /nfs/dbraw/zinc/53/94/93/558539493.db2.gz SCYVNJVOYOTJRN-UHFFFAOYSA-N 0 0 421.910 2.865 50 0 HFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2C(=O)O1 ZINC000013557353 558540367 /nfs/dbraw/zinc/54/03/67/558540367.db2.gz UQKVFSYWBJQJSQ-QGZVFWFLSA-N 0 0 419.817 2.864 50 0 HFAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000023178837 558540610 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2.703 50 0 HFAARN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1OC ZINC000033171286 558900123 /nfs/dbraw/zinc/90/01/23/558900123.db2.gz CSMLJNNBNHORSE-UHFFFAOYSA-N 0 0 402.428 2.730 50 0 HFAARN O=C(NCc1ccnc(N2CCCC2)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000058153972 558902649 /nfs/dbraw/zinc/90/26/49/558902649.db2.gz LQUUSLOWCLFPDP-UHFFFAOYSA-N 0 0 405.458 2.773 50 0 HFAARN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000058158354 558903885 /nfs/dbraw/zinc/90/38/85/558903885.db2.gz JTVRWFKWQPNRRF-NVXWUHKLSA-N 0 0 403.498 2.578 50 0 HFAARN COc1ccc2cc([C@H]3CN(S(=O)(=O)c4cn(C)c(C)n4)CCO3)ccc2c1 ZINC000071589506 558905640 /nfs/dbraw/zinc/90/56/40/558905640.db2.gz RVWWWJUZAFDVHA-LJQANCHMSA-N 0 0 401.488 2.653 50 0 HFAARN C[C@@H](C(N)=O)N(C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748532 558908797 /nfs/dbraw/zinc/90/87/97/558908797.db2.gz LZEJKNONKKTVFW-AWEZNQCLSA-N 0 0 405.930 2.700 50 0 HFAARN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000058180679 558910300 /nfs/dbraw/zinc/91/03/00/558910300.db2.gz VMJKLGBPMUSACL-QAPCUYQASA-N 0 0 407.555 2.929 50 0 HFAARN COc1cc(C(=O)NCc2ccc(-n3cncn3)nc2)ccc1OCc1cscn1 ZINC000058194745 558910720 /nfs/dbraw/zinc/91/07/20/558910720.db2.gz FRUTVCDVKOMPGY-UHFFFAOYSA-N 0 0 422.470 2.636 50 0 HFAARN O=C([O-])c1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc2ccccc21 ZINC000071775795 558911779 /nfs/dbraw/zinc/91/17/79/558911779.db2.gz MWWKSZLOJAJNKM-INIZCTEOSA-N 0 0 422.529 2.892 50 0 HFAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n23)c1OC ZINC000004708470 558914087 /nfs/dbraw/zinc/91/40/87/558914087.db2.gz KTDWVQNSQKWLKC-ZDUSSCGKSA-N 0 0 404.426 2.678 50 0 HFAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1 ZINC000019551567 558915592 /nfs/dbraw/zinc/91/55/92/558915592.db2.gz GNYVXTYCFBHVNX-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000004717360 558915898 /nfs/dbraw/zinc/91/58/98/558915898.db2.gz XBEXWIUSNVTRMC-QGZVFWFLSA-N 0 0 413.865 2.804 50 0 HFAARN Cc1sc2ncnc(N3CCC(C(=O)NCC(=O)OCC4CC4)CC3)c2c1C ZINC000058305195 558918004 /nfs/dbraw/zinc/91/80/04/558918004.db2.gz LTOYKLGFPNRZOO-UHFFFAOYSA-N 0 0 402.520 2.594 50 0 HFAARN O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1cccc(OCc2ccccn2)c1 ZINC000058326217 558919776 /nfs/dbraw/zinc/91/97/76/558919776.db2.gz NULOWSIBZQHRAG-UHFFFAOYSA-N 0 0 422.489 2.567 50 0 HFAARN C[C@@H](NC(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000058328482 558920019 /nfs/dbraw/zinc/92/00/19/558920019.db2.gz XXPDXLVBYQQRIA-XMSQKQJNSA-N 0 0 409.530 2.730 50 0 HFAARN CN(Cc1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000058342861 558920762 /nfs/dbraw/zinc/92/07/62/558920762.db2.gz OYZLHTRMNDEFQF-UHFFFAOYSA-N 0 0 405.900 2.923 50 0 HFAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c1Cl ZINC000058365314 558922139 /nfs/dbraw/zinc/92/21/39/558922139.db2.gz ODTDVESPXBFKQS-CQSZACIVSA-N 0 0 401.315 2.985 50 0 HFAARN Cn1c(=O)c(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)nc2cccnc21 ZINC000033259000 558926069 /nfs/dbraw/zinc/92/60/69/558926069.db2.gz XDVFMKNDUCBBCP-UHFFFAOYSA-N 0 0 411.893 2.515 50 0 HFAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000058429319 558926416 /nfs/dbraw/zinc/92/64/16/558926416.db2.gz YAGQCIURLZPETD-UHFFFAOYSA-N 0 0 417.893 2.793 50 0 HFAARN C[C@H](CNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)Cc1cccc2ccccc21 ZINC000072115745 558926720 /nfs/dbraw/zinc/92/67/20/558926720.db2.gz NIQCLNYEGLDLHT-KRWDZBQOSA-N 0 0 417.575 2.653 50 0 HFAARN NC(=O)C1CCN(c2ccc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc2)CC1 ZINC000058434964 558926863 /nfs/dbraw/zinc/92/68/63/558926863.db2.gz HGYBQZFYNWEBCA-SFHVURJKSA-N 0 0 410.449 2.592 50 0 HFAARN COc1cccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000019567980 558927042 /nfs/dbraw/zinc/92/70/42/558927042.db2.gz AEQUHYRXZDUKSW-UHFFFAOYSA-N 0 0 410.923 2.864 50 0 HFAARN CCn1c2ccccc2nc(SCC(=O)NCc2cc(OC)ccc2OC)c1=O ZINC000033259842 558928565 /nfs/dbraw/zinc/92/85/65/558928565.db2.gz YGCINSKFILPYJI-UHFFFAOYSA-N 0 0 413.499 2.842 50 0 HFAARN NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000058645483 558929214 /nfs/dbraw/zinc/92/92/14/558929214.db2.gz NMSAXYDRTIXKJL-UHFFFAOYSA-N 0 0 414.508 2.752 50 0 HFAARN O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072145646 558929511 /nfs/dbraw/zinc/92/95/11/558929511.db2.gz XOINFNRUXFMKEM-MRXNPFEDSA-N 0 0 423.439 2.561 50 0 HFAARN O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262181 558930691 /nfs/dbraw/zinc/93/06/91/558930691.db2.gz LGPIBXPKXKZOME-CQSZACIVSA-N 0 0 406.508 2.519 50 0 HFAARN CCc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)[nH]c(C)c1C(C)=O ZINC000059368156 558934577 /nfs/dbraw/zinc/93/45/77/558934577.db2.gz GVDSNTYLWUURML-UHFFFAOYSA-N 0 0 423.560 2.733 50 0 HFAARN COc1cccc(N2CCN(C(=O)c3ccc4c(c3)SC(NC(C)=O)N4)CC2)c1 ZINC000409419472 558944399 /nfs/dbraw/zinc/94/43/99/558944399.db2.gz CMDPFIAKBLBNIG-UHFFFAOYSA-N 0 0 411.507 2.758 50 0 HFAARN Cc1ccc(C(=O)N2N=C3c4ccccc4S(=O)(=O)N3[C@@H]2N2CCCCC2)cc1 ZINC000019596687 558946328 /nfs/dbraw/zinc/94/63/28/558946328.db2.gz GFEDYLVQILWZIC-OAQYLSRUSA-N 0 0 410.499 2.586 50 0 HFAARN CCOC(=O)C1CCN(CN2c3ccc(C)c(Br)c3C(=O)C2=O)CC1 ZINC000019624824 558947055 /nfs/dbraw/zinc/94/70/55/558947055.db2.gz FCSNLZVXGPRXPV-UHFFFAOYSA-N 0 0 409.280 2.519 50 0 HFAARN Cn1c2cn(C[C@@H]3CCCO3)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000021783477 558949130 /nfs/dbraw/zinc/94/91/30/558949130.db2.gz CXFYMXHQTCSGBY-AWEZNQCLSA-N 0 0 418.291 2.647 50 0 HFAARN O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)nc31)CCC2)Nc1ccc(F)cc1F ZINC000021807747 558952494 /nfs/dbraw/zinc/95/24/94/558952494.db2.gz ZATXBTPXCNJEMC-UHFFFAOYSA-N 0 0 421.407 2.964 50 0 HFAARN COc1ccc(-c2cc(C(=O)Nc3ccncc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000072402836 558955444 /nfs/dbraw/zinc/95/54/44/558955444.db2.gz VUXYGUADPHGZLE-MRXNPFEDSA-N 0 0 412.471 2.566 50 0 HFAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccccc1OC ZINC000060390802 558956588 /nfs/dbraw/zinc/95/65/88/558956588.db2.gz ONSRGFLTRQJOJB-UHFFFAOYSA-N 0 0 403.460 2.861 50 0 HFAARN CCc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)c3cccc(C)c3n2)cn1 ZINC000063882616 558960794 /nfs/dbraw/zinc/96/07/94/558960794.db2.gz AZPJJMIAZYVPTJ-OAHLLOKOSA-N 0 0 403.486 2.865 50 0 HFAARN Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)CN2C/C=C/c2ccccc2)cc1 ZINC000064031528 558961930 /nfs/dbraw/zinc/96/19/30/558961930.db2.gz GQYYTFPMIFXAKC-SBENCIRRSA-N 0 0 402.502 2.627 50 0 HFAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1cccc(F)c1 ZINC000064591331 558964502 /nfs/dbraw/zinc/96/45/02/558964502.db2.gz GRHXGDXDPCUBCH-UHFFFAOYSA-N 0 0 406.373 2.670 50 0 HFAARN C[C@H](NC(=O)N1CCN(c2nsc3ccccc32)CC1)C(=O)Nc1ccccn1 ZINC000072403675 558965321 /nfs/dbraw/zinc/96/53/21/558965321.db2.gz PPQCCMMIVMTRBQ-AWEZNQCLSA-N 0 0 410.503 2.550 50 0 HFAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)N2CCNC2=O)c1 ZINC000033068650 558966503 /nfs/dbraw/zinc/96/65/03/558966503.db2.gz DRIQOORDIPOFMN-UHFFFAOYSA-N 0 0 408.483 2.873 50 0 HFAARN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1F)C2 ZINC000064892997 558966650 /nfs/dbraw/zinc/96/66/50/558966650.db2.gz DVWPKFHEXZEXOV-UHFFFAOYSA-N 0 0 410.424 2.827 50 0 HFAARN CC(C)c1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064893366 558966799 /nfs/dbraw/zinc/96/67/99/558966799.db2.gz COKJYXGCKUZVRT-UHFFFAOYSA-N 0 0 416.547 2.527 50 0 HFAARN Cc1nn(C)c(C)c1CNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000072404133 558970265 /nfs/dbraw/zinc/97/02/65/558970265.db2.gz JCXKSGYLENISBM-UHFFFAOYSA-N 0 0 410.927 2.550 50 0 HFAARN COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 ZINC000065362909 558973640 /nfs/dbraw/zinc/97/36/40/558973640.db2.gz OSXQLBHLVFVHDV-UHFFFAOYSA-N 0 0 407.478 2.642 50 0 HFAARN O=C(CCn1nnc2ccccc2c1=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334161184 558980416 /nfs/dbraw/zinc/98/04/16/558980416.db2.gz VYIXBOXKPDKUGV-JOCHJYFZSA-N 0 0 424.464 2.964 50 0 HFAARN CCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[C@H]1O ZINC000072437374 558980699 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ZINC000096379558 560848641 /nfs/dbraw/zinc/84/86/41/560848641.db2.gz JTNUOWCLOGVLSH-UHFFFAOYSA-N 0 0 407.540 2.629 50 0 HFAARN CCCCCCOc1ccc(CO[C@H]2[C@H]3OC(C)(C)O[C@@H]3O[C@H]2[C@H](O)CO)cc1 ZINC000104256892 560850056 /nfs/dbraw/zinc/85/00/56/560850056.db2.gz NZMUYKFTJGDSLM-XNTOXWQXSA-N 0 0 410.507 2.761 50 0 biogenic HFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1Cl ZINC000051316869 560856800 /nfs/dbraw/zinc/85/68/00/560856800.db2.gz YIPPBDJPQAJPQB-UHFFFAOYSA-N 0 0 415.862 2.920 50 0 HFAARN COc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 ZINC000051317027 560857039 /nfs/dbraw/zinc/85/70/39/560857039.db2.gz QGNQGKJONOBVMK-UHFFFAOYSA-N 0 0 403.442 2.822 50 0 HFAARN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000105134802 560861798 /nfs/dbraw/zinc/86/17/98/560861798.db2.gz BPEMFQKGOAMGRB-KSZLIROESA-N 0 0 407.580 2.607 50 0 HFAARN CCn1cc(CN2CCN(C(=O)c3ccc(Cn4cc(Cl)cn4)o3)CC2)c(C)n1 ZINC000020615778 560885896 /nfs/dbraw/zinc/88/58/96/560885896.db2.gz MTDBAWHFDITHTC-UHFFFAOYSA-N 0 0 416.913 2.661 50 0 HFAARN O=C(CCC1CCCC1)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071522 560888408 /nfs/dbraw/zinc/88/84/08/560888408.db2.gz JTTYOVSVZHYEKT-UHFFFAOYSA-N 0 0 411.481 2.867 50 0 HFAARN O=C(/C=C\c1ccccc1)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071581 560888425 /nfs/dbraw/zinc/88/84/25/560888425.db2.gz CVCHUFICPBTLPI-KHPPLWFESA-N 0 0 417.444 2.610 50 0 HFAARN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H](C(=O)Nc2nncs2)C1 ZINC000047479323 560889132 /nfs/dbraw/zinc/88/91/32/560889132.db2.gz CRBQYGOURRJKMH-OAHLLOKOSA-N 0 0 411.487 2.921 50 0 HFAARN COc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1 ZINC000012126285 560889625 /nfs/dbraw/zinc/88/96/25/560889625.db2.gz LYPFHCKAALDJRZ-UHFFFAOYSA-N 0 0 423.473 2.983 50 0 HFAARN CN1CCN(C(=O)c2nnsc2NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000025186006 560891356 /nfs/dbraw/zinc/89/13/56/560891356.db2.gz WASRLCLERUHINA-UHFFFAOYSA-N 0 0 415.306 2.877 50 0 HFAARN Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000012224934 560894059 /nfs/dbraw/zinc/89/40/59/560894059.db2.gz ZUBICBVPQPFYMM-UHFFFAOYSA-N 0 0 410.927 2.737 50 0 HFAARN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 ZINC000107536819 560896404 /nfs/dbraw/zinc/89/64/04/560896404.db2.gz QFWMOFUHPGYHGQ-YZGWKJHDSA-N 0 0 417.550 2.792 50 0 HFAARN CCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCN(c3ccccn3)CC2)c1=O ZINC000022697426 568415513 /nfs/dbraw/zinc/41/55/13/568415513.db2.gz DJVDRGGTAUVADQ-JOCHJYFZSA-N 0 0 405.502 2.584 50 0 HFAARN O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908107 568416337 /nfs/dbraw/zinc/41/63/37/568416337.db2.gz LVTWCUPVWYYALC-IBGZPJMESA-N 0 0 409.511 2.873 50 0 HFAARN Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(F)c4)c3=O)n2)cc1 ZINC000045970979 568423078 /nfs/dbraw/zinc/42/30/78/568423078.db2.gz NKPSHEDOGIFJSJ-UHFFFAOYSA-N 0 0 417.404 2.582 50 0 HFAARN COc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000046145022 568430365 /nfs/dbraw/zinc/43/03/65/568430365.db2.gz RACLTPKCTRLTRA-UHFFFAOYSA-N 0 0 418.515 2.595 50 0 HFAARN CCCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)n(C)c(=O)n2C ZINC000046146087 568430605 /nfs/dbraw/zinc/43/06/05/568430605.db2.gz VOQLXCXXFYQXGS-UHFFFAOYSA-N 0 0 405.451 2.588 50 0 HFAARN O=C(CN1CCC(C(=O)NCCc2ccccc2F)CC1)N1CCc2ccccc21 ZINC000047936060 568431655 /nfs/dbraw/zinc/43/16/55/568431655.db2.gz XVGNYJAHNHLQDF-UHFFFAOYSA-N 0 0 409.505 2.786 50 0 HFAARN CN(C)C(=O)c1ccc(-c2cnn(CC(=O)Nc3ccnn3C3CCCC3)c2)nc1 ZINC000048148071 568432178 /nfs/dbraw/zinc/43/21/78/568432178.db2.gz MNDIXKOLATXOOH-UHFFFAOYSA-N 0 0 407.478 2.597 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(COC[C@H]3CCCCO3)c2)o1 ZINC000048234783 568432715 /nfs/dbraw/zinc/43/27/15/568432715.db2.gz ONZRRTPQGGBTQT-QGZVFWFLSA-N 0 0 422.503 2.868 50 0 HFAARN CC(C)N(CCCNC(=O)c1cc(C2CC2)nn1-c1ccccc1)S(C)(=O)=O ZINC000048239934 568433184 /nfs/dbraw/zinc/43/31/84/568433184.db2.gz UDJLUZVAQGRNHZ-UHFFFAOYSA-N 0 0 404.536 2.540 50 0 HFAARN O=C(NCc1cccnc1-n1cncn1)Nc1cccc(OCc2ccccn2)c1 ZINC000048247998 568433187 /nfs/dbraw/zinc/43/31/87/568433187.db2.gz KZXPKYPYPBUTIY-UHFFFAOYSA-N 0 0 401.430 2.958 50 0 HFAARN COc1cc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)ccc1NC(=O)c1cccnc1 ZINC000048231799 568433428 /nfs/dbraw/zinc/43/34/28/568433428.db2.gz NNFAHKNHELHTBG-CYBMUJFWSA-N 0 0 408.414 2.693 50 0 HFAARN CC(=O)N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000048260678 568433530 /nfs/dbraw/zinc/43/35/30/568433530.db2.gz MQGZNFXGKCWGKW-UHFFFAOYSA-N 0 0 404.264 2.941 50 0 HFAARN Cc1csc(NC(=O)[C@H]2CCCN(Cc3cc(=O)n4c(C)csc4n3)C2)n1 ZINC000048302088 568437521 /nfs/dbraw/zinc/43/75/21/568437521.db2.gz XTUWVNJYJQZYOK-ZDUSSCGKSA-N 0 0 403.533 2.680 50 0 HFAARN Cc1cc(C)n(-c2ccc(CNC(=O)C3=NN(C)C(=O)CC3)c(C(F)(F)F)c2)n1 ZINC000048302649 568437803 /nfs/dbraw/zinc/43/78/03/568437803.db2.gz NRBFIHXGQCAKKQ-UHFFFAOYSA-N 0 0 407.396 2.732 50 0 HFAARN Cc1ccc(OCCN(C)C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000048326715 568439712 /nfs/dbraw/zinc/43/97/12/568439712.db2.gz XWWSUWTVEPQQHX-NRFANRHFSA-N 0 0 410.518 2.987 50 0 HFAARN C[C@@H](CN1CCCC1=O)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000048332303 568439984 /nfs/dbraw/zinc/43/99/84/568439984.db2.gz QBKJPIVHSZHLJL-ZDUSSCGKSA-N 0 0 414.428 2.674 50 0 HFAARN COc1ccc(/C=C/C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1 ZINC000005259625 568442872 /nfs/dbraw/zinc/44/28/72/568442872.db2.gz JKKFUYJPEWNOPD-PKNBQFBNSA-N 0 0 407.430 2.971 50 0 HFAARN Cc1cccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(F)cc4)c(=O)n3c2)c1 ZINC000048986738 568443977 /nfs/dbraw/zinc/44/39/77/568443977.db2.gz BJZXLZDCIPBFCO-UHFFFAOYSA-N 0 0 419.416 2.835 50 0 HFAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3cccs3)c2c1=O ZINC000048988137 568444059 /nfs/dbraw/zinc/44/40/59/568444059.db2.gz RDIYRSRVFZERRT-UHFFFAOYSA-N 0 0 422.510 2.889 50 0 HFAARN COC(=O)c1cccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc32)c1 ZINC000049004869 568444298 /nfs/dbraw/zinc/44/42/98/568444298.db2.gz UIJWUPZNDSJELK-UHFFFAOYSA-N 0 0 406.442 2.941 50 0 HFAARN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)c1 ZINC000049081722 568446873 /nfs/dbraw/zinc/44/68/73/568446873.db2.gz ZETRNKGMIPBDLX-OAHLLOKOSA-N 0 0 408.458 2.804 50 0 HFAARN Cc1ccc(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)cc1Cl ZINC000049399911 568447480 /nfs/dbraw/zinc/44/74/80/568447480.db2.gz XEPJEXFFWNCGLD-CYBMUJFWSA-N 0 0 414.897 2.728 50 0 HFAARN Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccs4)CC3)nn2)cc1C ZINC000049406306 568448488 /nfs/dbraw/zinc/44/84/88/568448488.db2.gz ZTZFGNQZFIFDDK-UHFFFAOYSA-N 0 0 409.515 2.980 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1F ZINC000049407165 568449160 /nfs/dbraw/zinc/44/91/60/568449160.db2.gz LVDIKKJGOZCIDR-UHFFFAOYSA-N 0 0 407.405 2.653 50 0 HFAARN O=c1n2cc(S(=O)(=O)N3CCCCCC3)ccc2nn1Cc1cccc(Cl)c1 ZINC000049408055 568449295 /nfs/dbraw/zinc/44/92/95/568449295.db2.gz FRNBDXRQMLKOEJ-UHFFFAOYSA-N 0 0 420.922 2.762 50 0 HFAARN Cc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O ZINC000049409221 568449543 /nfs/dbraw/zinc/44/95/43/568449543.db2.gz BLSPFDFZLZQTPE-UHFFFAOYSA-N 0 0 417.531 2.669 50 0 HFAARN O=C(Cn1ccnc1-c1ccnc(N2CCSCC2)c1)NCc1ccc(F)cc1 ZINC000049409753 568449714 /nfs/dbraw/zinc/44/97/14/568449714.db2.gz HITWCTYWZNJHBF-UHFFFAOYSA-N 0 0 411.506 2.954 50 0 HFAARN Cc1cc2nn(CC(=O)NC3CCCCC3)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 ZINC000049410717 568450019 /nfs/dbraw/zinc/45/00/19/568450019.db2.gz VZZWSMMVINBBGD-UHFFFAOYSA-N 0 0 412.469 2.839 50 0 HFAARN CCCCN(C)C(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O ZINC000049411425 568450192 /nfs/dbraw/zinc/45/01/92/568450192.db2.gz FZDGJKCCQSDYIM-UHFFFAOYSA-N 0 0 402.520 2.748 50 0 HFAARN Cc1ccnc(Nc2ccc(NCCNC(=O)Cn3cnc4ccccc43)nn2)c1 ZINC000049422403 568450789 /nfs/dbraw/zinc/45/07/89/568450789.db2.gz MJLXMPJIZLPUJM-UHFFFAOYSA-N 0 0 402.462 2.502 50 0 HFAARN COc1ccc(Br)c(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1 ZINC000049482834 568450946 /nfs/dbraw/zinc/45/09/46/568450946.db2.gz WQGFUYOZOPGSDQ-UHFFFAOYSA-N 0 0 416.235 2.537 50 0 HFAARN CC(C)c1nnc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000049547159 568451521 /nfs/dbraw/zinc/45/15/21/568451521.db2.gz KRQIDKNQHQAWRL-UHFFFAOYSA-N 0 0 422.942 2.785 50 0 HFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nnc(-c4ccccc4)s3)C2=O)cc1 ZINC000049580878 568452702 /nfs/dbraw/zinc/45/27/02/568452702.db2.gz CXZFIOGJKRXYTF-OAQYLSRUSA-N 0 0 421.482 2.919 50 0 HFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H](c2ccco2)N(C)C)CC1=O ZINC000049944262 568453591 /nfs/dbraw/zinc/45/35/91/568453591.db2.gz OHQKDLHGYKQQOH-BBRMVZONSA-N 0 0 405.882 2.714 50 0 HFAARN CCn1c2ccc(OC)cc2sc1=NC(=O)CS(=O)(=O)c1ccc(F)cc1 ZINC000012237978 568455357 /nfs/dbraw/zinc/45/53/57/568455357.db2.gz FJDYTVXENNJFGF-CZIZESTLSA-N 0 0 408.476 2.772 50 0 HFAARN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000000666066 568460416 /nfs/dbraw/zinc/46/04/16/568460416.db2.gz AOGFQRVDLMJUIC-FXAWDEMLSA-N 0 0 416.543 2.954 50 0 HFAARN CC(C)OCCCNC(=O)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 ZINC000006900337 568463410 /nfs/dbraw/zinc/46/34/10/568463410.db2.gz YWOPFYSOASDIPI-UHFFFAOYSA-N 0 0 405.462 2.961 50 0 HFAARN CN(C)C(=O)CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 ZINC000012323013 568471138 /nfs/dbraw/zinc/47/11/38/568471138.db2.gz NWNPVPUCCWOCMM-UHFFFAOYSA-N 0 0 402.911 2.801 50 0 HFAARN O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000218322458 568478351 /nfs/dbraw/zinc/47/83/51/568478351.db2.gz LBSWMNJKKIPTAE-UHFFFAOYSA-N 0 0 417.531 2.953 50 0 HFAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12 ZINC000000791215 568480066 /nfs/dbraw/zinc/48/00/66/568480066.db2.gz QOKLOYQUUHLVJO-UHFFFAOYSA-N 0 0 422.466 2.928 50 0 HFAARN Cc1ccc(-n2ncc3c2ncnc3NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000000792110 568480963 /nfs/dbraw/zinc/48/09/63/568480963.db2.gz XJTLMVSLPCQPJW-UHFFFAOYSA-N 0 0 422.514 2.734 50 0 HFAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000022310387 568483797 /nfs/dbraw/zinc/48/37/97/568483797.db2.gz ICWLNAWUXBUZQK-UHFFFAOYSA-N 0 0 415.515 2.857 50 0 HFAARN COc1ccc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1OC ZINC000007970016 568487222 /nfs/dbraw/zinc/48/72/22/568487222.db2.gz SALXPANCPLGBTF-UHFFFAOYSA-N 0 0 413.879 2.965 50 0 HFAARN COc1ccccc1CCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000008037127 568488111 /nfs/dbraw/zinc/48/81/11/568488111.db2.gz BEDZWXOEFHNMGV-QGOAFFKASA-N 0 0 414.527 2.773 50 0 HFAARN Cc1ccc(N2C[C@@H](C(=O)N3CC(N4CCc5sccc5C4)C3)CC2=O)cc1C ZINC000390827526 568490217 /nfs/dbraw/zinc/49/02/17/568490217.db2.gz HHBCDCRPAIYMGC-SFHVURJKSA-N 0 0 409.555 2.987 50 0 HFAARN O=C(NC[C@@](O)(c1ccoc1)c1ccco1)C(=O)Nc1ccccc1C(F)(F)F ZINC000390827617 568490258 /nfs/dbraw/zinc/49/02/58/568490258.db2.gz ZUMVQLUJVZCETG-GOSISDBHSA-N 0 0 408.332 2.882 50 0 HFAARN O=C([C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008095465 568490596 /nfs/dbraw/zinc/49/05/96/568490596.db2.gz GTCTWQIHUAOBTC-RYRKJORJSA-N 0 0 401.532 2.639 50 0 HFAARN CCOC(=O)C1=C(COC(=O)CC2CCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008278461 568496159 /nfs/dbraw/zinc/49/61/59/568496159.db2.gz MWALHLBMPBDZRM-HXUWFJFHSA-N 0 0 416.474 2.990 50 0 HFAARN Cn1nc(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2c1=O ZINC000008278483 568496176 /nfs/dbraw/zinc/49/61/76/568496176.db2.gz UKSMCFCCYKFFNQ-UHFFFAOYSA-N 0 0 413.861 2.607 50 0 HFAARN COc1ccc(CC(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1OC ZINC000390831924 568496190 /nfs/dbraw/zinc/49/61/90/568496190.db2.gz VZZTZSNTHSKUKQ-SFHVURJKSA-N 0 0 409.529 2.696 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)Cc2sc(NNc3ccccc3)nc2O)cc1 ZINC000008315685 568497538 /nfs/dbraw/zinc/49/75/38/568497538.db2.gz DGLSEQWHOWQAEZ-INIZCTEOSA-N 0 0 412.471 2.807 50 0 HFAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCNC(=O)c1ccccc1 ZINC000008315095 568497621 /nfs/dbraw/zinc/49/76/21/568497621.db2.gz MNRXFPXFSZLIJX-UHFFFAOYSA-N 0 0 418.291 2.666 50 0 HFAARN Cc1nnc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1C1CC1 ZINC000008390283 568499949 /nfs/dbraw/zinc/49/99/49/568499949.db2.gz KAEPRUHUYAZMAC-CYBMUJFWSA-N 0 0 412.519 2.839 50 0 HFAARN CS(=O)(=O)Nc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000024885827 568514340 /nfs/dbraw/zinc/51/43/40/568514340.db2.gz QHVJMUVXXRAXOB-UHFFFAOYSA-N 0 0 419.478 2.688 50 0 HFAARN COc1ccc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)cc1S(N)(=O)=O ZINC000024976070 568516325 /nfs/dbraw/zinc/51/63/25/568516325.db2.gz DZKFFCYEGLNNLE-UHFFFAOYSA-N 0 0 405.472 2.827 50 0 HFAARN C[C@@H](NC(=O)CCN1C(=O)C[C@](C)(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000223229940 568541713 /nfs/dbraw/zinc/54/17/13/568541713.db2.gz HEHJEGCOFXYSTK-IQMFZBJNSA-N 0 0 404.470 2.847 50 0 HFAARN CSCC[C@@H](NC(=O)CCCc1nnc2ccccn21)c1nnc2ccccn21 ZINC000223233780 568541846 /nfs/dbraw/zinc/54/18/46/568541846.db2.gz YWTWRBJZTJEKIQ-OAHLLOKOSA-N 0 0 409.519 2.705 50 0 HFAARN Cc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)n1 ZINC000014980597 568581212 /nfs/dbraw/zinc/58/12/12/568581212.db2.gz YXMHECKAMFXZNS-JOCHJYFZSA-N 0 0 402.498 2.550 50 0 HFAARN COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000020069036 568587175 /nfs/dbraw/zinc/58/71/75/568587175.db2.gz CIQGITFLELFOMJ-ROUUACIJSA-N 0 0 409.515 2.857 50 0 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ZINC000095410297 568606722 /nfs/dbraw/zinc/60/67/22/568606722.db2.gz IQANWXLWOUDEET-UHFFFAOYSA-N 0 0 415.881 2.882 50 0 HFAARN CC[C@@H](CC(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)SC ZINC000095433702 568609595 /nfs/dbraw/zinc/60/95/95/568609595.db2.gz MNRXRXORFQIUQC-ZBFHGGJFSA-N 0 0 405.520 2.886 50 0 HFAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)ncn3n2)cc1 ZINC000020466379 568610384 /nfs/dbraw/zinc/61/03/84/568610384.db2.gz GDPSXBVSKUJPJU-RLFYNMQTSA-N 0 0 409.490 2.508 50 0 HFAARN COc1cc(CN[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc2c1OCCO2 ZINC000095450121 568614138 /nfs/dbraw/zinc/61/41/38/568614138.db2.gz WWZLPQCCHKYRCO-ZDUSSCGKSA-N 0 0 400.439 2.512 50 0 HFAARN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095459223 568619566 /nfs/dbraw/zinc/61/95/66/568619566.db2.gz ZWRLSDRCIHKEIT-LJQANCHMSA-N 0 0 423.517 2.995 50 0 HFAARN O=S(=O)(NCc1nccn1Cc1ccccc1)c1c(Cl)nc2ccccn21 ZINC000095461759 568620906 /nfs/dbraw/zinc/62/09/06/568620906.db2.gz DJSKEBZTLBGBOE-UHFFFAOYSA-N 0 0 401.879 2.711 50 0 HFAARN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)c1 ZINC000095463351 568621965 /nfs/dbraw/zinc/62/19/65/568621965.db2.gz MHACEWRCXUWAPY-OAHLLOKOSA-N 0 0 416.909 2.837 50 0 HFAARN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)ccc1O ZINC000095464661 568622514 /nfs/dbraw/zinc/62/25/14/568622514.db2.gz BFMRAONVDNTRPT-CQSZACIVSA-N 0 0 405.350 2.575 50 0 HFAARN CCOC(=O)C[C@H](NC(=O)CSc1nnc(N)s1)c1ccccc1Cl ZINC000095471381 568626692 /nfs/dbraw/zinc/62/66/92/568626692.db2.gz RNEBHNXBDYQALE-NSHDSACASA-N 0 0 400.913 2.677 50 0 HFAARN Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)N1CCOCC1 ZINC000095473115 568628611 /nfs/dbraw/zinc/62/86/11/568628611.db2.gz SLRWOAMBABXUMK-UHFFFAOYSA-N 0 0 403.280 2.663 50 0 HFAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)c1cccnc1 ZINC000095481874 568633936 /nfs/dbraw/zinc/63/39/36/568633936.db2.gz KVYIGBYFISENOE-UHFFFAOYSA-N 0 0 407.451 2.894 50 0 HFAARN CCOC(=O)[C@@](NC(=O)COc1ccccc1)(Nc1ccc(C)cn1)C(F)(F)F 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/nfs/dbraw/zinc/64/38/82/568643882.db2.gz SZTYCKIZXSWPGG-OPAMFIHVSA-N 0 0 407.555 2.741 50 0 HFAARN CC(C)CN(C(=O)COc1cnccc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000225500889 568643898 /nfs/dbraw/zinc/64/38/98/568643898.db2.gz UJCHYWFVFDFYCG-GOSISDBHSA-N 0 0 402.516 2.799 50 0 HFAARN COc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(C)=O)c(OC)c1 ZINC000225517089 568645904 /nfs/dbraw/zinc/64/59/04/568645904.db2.gz VJUJSARBHCXGSN-IBGZPJMESA-N 0 0 417.487 2.773 50 0 HFAARN COc1ccccc1NC(=O)C[C@H](C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020930251 568651772 /nfs/dbraw/zinc/65/17/72/568651772.db2.gz IMOFAYHWGRHXMO-ZDUSSCGKSA-N 0 0 418.471 2.526 50 0 HFAARN CCOC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc(OC)ccc1OC ZINC000020932656 568651895 /nfs/dbraw/zinc/65/18/95/568651895.db2.gz QSBBNCCSWLGUIF-GOSISDBHSA-N 0 0 419.499 2.945 50 0 HFAARN CCOc1ccc(-c2nc(CN(C[C@@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 ZINC000225571722 568652374 /nfs/dbraw/zinc/65/23/74/568652374.db2.gz RGRLKYUPPHWHST-OAHLLOKOSA-N 0 0 424.588 2.969 50 0 HFAARN COCCCNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccc(Cl)cc2)c1=O ZINC000020947464 568653612 /nfs/dbraw/zinc/65/36/12/568653612.db2.gz ZWFGRWKTCSLNBX-UHFFFAOYSA-N 0 0 402.882 2.610 50 0 HFAARN COc1ccc(C=O)cc1CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O ZINC000020996607 568657229 /nfs/dbraw/zinc/65/72/29/568657229.db2.gz IEBPCRWREKGLAP-UHFFFAOYSA-N 0 0 412.870 2.863 50 0 HFAARN O=C(NCCc1ccccc1)[C@H]1CCCN(c2nnc(N3CCCCC3=O)s2)C1 ZINC000021028225 568658855 /nfs/dbraw/zinc/65/88/55/568658855.db2.gz XRKWBQFKUHCDGW-KRWDZBQOSA-N 0 0 413.547 2.630 50 0 HFAARN CC(C)C(=O)N[C@H]1CCCN(CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225637126 568659186 /nfs/dbraw/zinc/65/91/86/568659186.db2.gz IIQJJNATYXUZOF-FQEVSTJZSA-N 0 0 418.582 2.518 50 0 HFAARN CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(ccn3CC)c2)CC1 ZINC000021053853 568660984 /nfs/dbraw/zinc/66/09/84/568660984.db2.gz SFQJRNTZNJJVQA-UHFFFAOYSA-N 0 0 421.563 2.605 50 0 HFAARN CCc1ccc(C(=O)CSc2nnc3ccc(S(=O)(=O)N(C)C)cn32)cc1 ZINC000095944734 568663152 /nfs/dbraw/zinc/66/31/52/568663152.db2.gz WVLXPQKIPNMUKN-UHFFFAOYSA-N 0 0 404.517 2.517 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3OC)C2)c(OC)c1 ZINC000095945103 568663261 /nfs/dbraw/zinc/66/32/61/568663261.db2.gz OOIAQHPCUDKOFT-KRWDZBQOSA-N 0 0 420.487 2.832 50 0 HFAARN COc1ccc(CN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c(OC)c1OC ZINC000021095526 568664821 /nfs/dbraw/zinc/66/48/21/568664821.db2.gz ZNXCROZTTZSJPQ-UHFFFAOYSA-N 0 0 424.497 2.833 50 0 HFAARN CC(C)OCCCNC(=O)c1cc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000021097441 568664945 /nfs/dbraw/zinc/66/49/45/568664945.db2.gz BWODBVNALGEHEU-UHFFFAOYSA-N 0 0 421.563 2.898 50 0 HFAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000021103383 568666837 /nfs/dbraw/zinc/66/68/37/568666837.db2.gz XTKAUNFIPPCGHZ-UHFFFAOYSA-N 0 0 406.442 2.998 50 0 HFAARN CC(=O)N1CC[C@H](CN(C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000095974405 568672342 /nfs/dbraw/zinc/67/23/42/568672342.db2.gz CTGUOKUKVLWJBB-OAHLLOKOSA-N 0 0 407.561 2.514 50 0 HFAARN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1Cl ZINC000095975466 568672675 /nfs/dbraw/zinc/67/26/75/568672675.db2.gz UJFSBXMOKXVUPU-UHFFFAOYSA-N 0 0 424.327 2.869 50 0 HFAARN Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CCCCC1)N1CCc2ccccc2C1 ZINC000021155514 568673578 /nfs/dbraw/zinc/67/35/78/568673578.db2.gz ALSTUHNKEJBWDF-JOCHJYFZSA-N 0 0 408.546 2.690 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2N2CCC(Cc3ccccc3)CC2)C1 ZINC000021158042 568674108 /nfs/dbraw/zinc/67/41/08/568674108.db2.gz LDXRMGUEJYCYTO-LJQANCHMSA-N 0 0 410.514 2.521 50 0 HFAARN C=C1C(NCC(=O)NCc2ccccc2C)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021163161 568674434 /nfs/dbraw/zinc/67/44/34/568674434.db2.gz STWCDTCXMPEUIU-UHFFFAOYSA-N 0 0 411.527 2.991 50 0 HFAARN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cnc(C)cn3)c2C)c1 ZINC000095998541 568679737 /nfs/dbraw/zinc/67/97/37/568679737.db2.gz FVIAPNLMJXJFCB-HXUWFJFHSA-N 0 0 407.474 2.810 50 0 HFAARN COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)CCn3cccn3)c2C)c1 ZINC000095998544 568680016 /nfs/dbraw/zinc/68/00/16/568680016.db2.gz BWTWYWMVBBHTSQ-HXUWFJFHSA-N 0 0 409.490 2.684 50 0 HFAARN CC[C@@H](CO)N(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000096012856 568685196 /nfs/dbraw/zinc/68/51/96/568685196.db2.gz OVRDTWKZVRUCDT-NRFANRHFSA-N 0 0 411.546 2.940 50 0 HFAARN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2c3ccccc3nc3c2CCCCC3)CC1 ZINC000021354118 568688041 /nfs/dbraw/zinc/68/80/41/568688041.db2.gz FDINTKMXDXJMCE-INIZCTEOSA-N 0 0 423.513 2.740 50 0 HFAARN Cc1oc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)nc1C(=O)N1CCOCC1 ZINC000096095677 568688653 /nfs/dbraw/zinc/68/86/53/568688653.db2.gz SJCGEJIQMLBOSQ-BQYQJAHWSA-N 0 0 409.486 2.875 50 0 HFAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1cc(=O)c2ccccc2o1 ZINC000096096641 568689065 /nfs/dbraw/zinc/68/90/65/568689065.db2.gz XNDMBZIQNMRKPB-UHFFFAOYSA-N 0 0 422.466 2.645 50 0 HFAARN O=C(Cn1cnc2ccccc21)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 ZINC000096096380 568689078 /nfs/dbraw/zinc/68/90/78/568689078.db2.gz GMRAFHZUSMGECR-UHFFFAOYSA-N 0 0 407.455 2.923 50 0 HFAARN O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1Br ZINC000096097323 568689480 /nfs/dbraw/zinc/68/94/80/568689480.db2.gz KMRXYLLYMBSSCH-ZDUSSCGKSA-N 0 0 414.277 2.580 50 0 HFAARN COc1cccc(CNC(=O)COc2cc(C)nc(N3CCC[C@@H](C)C3)n2)c1OC ZINC000021360811 568690044 /nfs/dbraw/zinc/69/00/44/568690044.db2.gz SDCPPQWAUZVNAY-OAHLLOKOSA-N 0 0 414.506 2.734 50 0 HFAARN O=C(CSc1nccnc1N1CCN(c2ccccc2)CC1)NCc1ccco1 ZINC000021363891 568690489 /nfs/dbraw/zinc/69/04/89/568690489.db2.gz SRNNNTZBNBUMMG-UHFFFAOYSA-N 0 0 409.515 2.805 50 0 HFAARN COc1ccc(-c2nn(CCCC(=O)Nc3nnc(C)s3)c(=O)cc2OC)cc1 ZINC000096100886 568691085 /nfs/dbraw/zinc/69/10/85/568691085.db2.gz OWUGCOYQZYVZBV-UHFFFAOYSA-N 0 0 415.475 2.506 50 0 HFAARN CC[C@H](NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)c1cccs1 ZINC000096101891 568691149 /nfs/dbraw/zinc/69/11/49/568691149.db2.gz OIUFRXNGWWTDGE-KRWDZBQOSA-N 0 0 415.563 2.859 50 0 HFAARN CC(=O)Nc1ncncc1N1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000096101894 568691299 /nfs/dbraw/zinc/69/12/99/568691299.db2.gz AVLGUKKNMBNIGB-UHFFFAOYSA-N 0 0 421.423 2.987 50 0 HFAARN COc1ccc(-c2nn([C@@H](C)C(=O)NCc3ccccc3F)c(=O)cc2OC)cc1 ZINC000096101198 568691302 /nfs/dbraw/zinc/69/13/02/568691302.db2.gz VNMAAOCUIQWFKS-AWEZNQCLSA-N 0 0 411.433 2.944 50 0 HFAARN O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NC[C@H](O)c1ccccc1 ZINC000012389380 568691511 /nfs/dbraw/zinc/69/15/11/568691511.db2.gz IHFZSQXGVIPGND-SFHVURJKSA-N 0 0 420.494 2.667 50 0 HFAARN COc1ccc(C(=O)CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000096114288 568693889 /nfs/dbraw/zinc/69/38/89/568693889.db2.gz ZUYYVGYPCILRFD-UHFFFAOYSA-N 0 0 413.426 2.523 50 0 biogenic HFAARN O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N[C@H]1C=CS(=O)(=O)C1 ZINC000012390493 568694597 /nfs/dbraw/zinc/69/45/97/568694597.db2.gz XUGUFYFFFDUIRK-NSHDSACASA-N 0 0 418.418 2.678 50 0 HFAARN COC(=O)c1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1CCc1ccccc1 ZINC000096115357 568694922 /nfs/dbraw/zinc/69/49/22/568694922.db2.gz MUVXZLJXZMZQNU-CYBMUJFWSA-N 0 0 402.472 2.995 50 0 biogenic HFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3nc4ccccc4[nH]3)cc2O1 ZINC000096115308 568695022 /nfs/dbraw/zinc/69/50/22/568695022.db2.gz YUBQKEIBPPYTQF-UHFFFAOYSA-N 0 0 409.442 2.750 50 0 biogenic HFAARN COc1cc(NC(=O)N2CCC(Oc3ccc(C)nn3)CC2)cc(OC)c1OC ZINC000096119447 568698780 /nfs/dbraw/zinc/69/87/80/568698780.db2.gz AREDLVSCQZOGAQ-UHFFFAOYSA-N 0 0 402.451 2.886 50 0 HFAARN O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc2c(c1)CCO2 ZINC000096121580 568699887 /nfs/dbraw/zinc/69/98/87/568699887.db2.gz XKGJIFLGLJFDRJ-UHFFFAOYSA-N 0 0 415.437 2.694 50 0 HFAARN COCC(=O)N1C[C@H](C(=O)NCc2cccnc2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211292 568704599 /nfs/dbraw/zinc/70/45/99/568704599.db2.gz ZZGLTMSTPHVTIW-ROUUACIJSA-N 0 0 421.419 2.605 50 0 HFAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)c1ccc3c(c1)CCN3C(C)=O)C=C2 ZINC000096221150 568704918 /nfs/dbraw/zinc/70/49/18/568704918.db2.gz UHAZUZNBDIAIEJ-UHFFFAOYSA-N 0 0 420.465 2.851 50 0 biogenic HFAARN COc1ccccc1OCCN1C[C@H](C(=O)Nc2cc(F)c(F)c(F)c2)CC1=O ZINC000096231900 568707638 /nfs/dbraw/zinc/70/76/38/568707638.db2.gz BQAJMCKJNDXVAN-GFCCVEGCSA-N 0 0 408.376 2.979 50 0 HFAARN COCCn1c(C(=O)NCCS(=O)(=O)c2ccc(OC)cc2)cc2ccccc21 ZINC000096232335 568707951 /nfs/dbraw/zinc/70/79/51/568707951.db2.gz DBSYEQNUZYPWIN-UHFFFAOYSA-N 0 0 416.499 2.500 50 0 HFAARN O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)Nc1ccc(F)cc1 ZINC000021531423 568711079 /nfs/dbraw/zinc/71/10/79/568711079.db2.gz UXPACCRLHPYDJG-UHFFFAOYSA-N 0 0 411.886 2.870 50 0 HFAARN CCc1cccc(NC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)c1 ZINC000021531306 568711133 /nfs/dbraw/zinc/71/11/33/568711133.db2.gz CJPZGAACMTWHEV-UHFFFAOYSA-N 0 0 405.495 2.779 50 0 HFAARN Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000021532154 568711369 /nfs/dbraw/zinc/71/13/69/568711369.db2.gz MVYHJKRSXSPCCW-UHFFFAOYSA-N 0 0 415.515 2.837 50 0 HFAARN CCOC(=O)C1CCN(C(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 ZINC000021535401 568711743 /nfs/dbraw/zinc/71/17/43/568711743.db2.gz GKLMRFVDSMFGAR-UHFFFAOYSA-N 0 0 417.535 2.734 50 0 HFAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(F)cc32)cc1C ZINC000229997421 568716552 /nfs/dbraw/zinc/71/65/52/568716552.db2.gz HFSYTLKIKCDFFP-VKDGWMQASA-N 0 0 419.456 2.874 50 0 HFAARN COc1ccc(C)cc1NC(=O)CN1CCCN(Cc2ccc(C)cc2)S1(=O)=O ZINC000012415413 568717711 /nfs/dbraw/zinc/71/77/11/568717711.db2.gz SSWCIKKWQWACPM-UHFFFAOYSA-N 0 0 417.531 2.703 50 0 HFAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000012415606 568717845 /nfs/dbraw/zinc/71/78/45/568717845.db2.gz NDBJTRJOHPRFOX-UHFFFAOYSA-N 0 0 424.522 2.923 50 0 HFAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c(OC)c1 ZINC000021576087 568719247 /nfs/dbraw/zinc/71/92/47/568719247.db2.gz YTCBLXJJVCOCNI-UHFFFAOYSA-N 0 0 421.429 2.685 50 0 HFAARN COCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1cccc(F)c1 ZINC000096293772 568721958 /nfs/dbraw/zinc/72/19/58/568721958.db2.gz XRHOACVQVMXBNK-UHFFFAOYSA-N 0 0 413.405 2.936 50 0 HFAARN COCc1nc(C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(OC)cc1 ZINC000096317400 568726638 /nfs/dbraw/zinc/72/66/38/568726638.db2.gz LCBVYPMNDJTPML-UHFFFAOYSA-N 0 0 412.534 2.835 50 0 HFAARN COc1cc(-n2cnc3cc(C(=O)NC[C@H]4CCCO4)ccc32)cc(OC)c1OC ZINC000002926280 568726846 /nfs/dbraw/zinc/72/68/46/568726846.db2.gz PEIYXQIYTOHRCS-MRXNPFEDSA-N 0 0 411.458 2.960 50 0 HFAARN Cc1[nH]c(C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000096320053 568728553 /nfs/dbraw/zinc/72/85/53/568728553.db2.gz QWAIQPKKBULDQM-UHFFFAOYSA-N 0 0 415.874 2.697 50 0 HFAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096321693 568729275 /nfs/dbraw/zinc/72/92/75/568729275.db2.gz ISGMLGRFXRFDNX-UHFFFAOYSA-N 0 0 412.881 2.644 50 0 HFAARN Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)CC1 ZINC000096323367 568731930 /nfs/dbraw/zinc/73/19/30/568731930.db2.gz QZKBCJPMYMXNQX-UHFFFAOYSA-N 0 0 410.565 2.597 50 0 HFAARN CCOc1cc(C(=O)OCc2cnns2)ccc1OCC(=O)N1CCCCC1 ZINC000242346981 568732770 /nfs/dbraw/zinc/73/27/70/568732770.db2.gz ZKUDOMODLJOLOX-UHFFFAOYSA-N 0 0 405.476 2.685 50 0 HFAARN Cc1ccc(-n2nc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)ccc2=O)cc1 ZINC000096324227 568733341 /nfs/dbraw/zinc/73/33/41/568733341.db2.gz QVSPWFXDIHMQMS-UHFFFAOYSA-N 0 0 417.513 2.569 50 0 HFAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000005792167 568733941 /nfs/dbraw/zinc/73/39/41/568733941.db2.gz ACXMLJFSBSSYSM-OAQYLSRUSA-N 0 0 415.396 2.963 50 0 HFAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000096324570 568733956 /nfs/dbraw/zinc/73/39/56/568733956.db2.gz BUBLLRPPQYMEJU-UHFFFAOYSA-N 0 0 401.470 2.913 50 0 HFAARN CCOc1ccc([C@@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021659171 568735142 /nfs/dbraw/zinc/73/51/42/568735142.db2.gz UMETYVSMTMTQEO-IBGZPJMESA-N 0 0 402.454 2.942 50 0 HFAARN CCSc1nnc(-c2nn(C)c3c2CN(C(=O)c2c(F)cccc2F)CC3)n1C ZINC000096332605 568736332 /nfs/dbraw/zinc/73/63/32/568736332.db2.gz CKBBUILWNNVROV-UHFFFAOYSA-N 0 0 418.473 2.804 50 0 HFAARN Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4n[nH]c5ccccc54)C3)CC2)c(C)c1 ZINC000096343915 568737173 /nfs/dbraw/zinc/73/71/73/568737173.db2.gz GOHUPTZKGSMUMA-SFHVURJKSA-N 0 0 417.513 2.881 50 0 HFAARN Cc1nn(C)c(C)c1CNC(=O)c1csc(Nc2ccc(Cn3cncn3)cc2)n1 ZINC000096344139 568737302 /nfs/dbraw/zinc/73/73/02/568737302.db2.gz NCIBYWQDSFKBQQ-UHFFFAOYSA-N 0 0 422.518 2.807 50 0 HFAARN COc1ccc(OC)c(CN(CC(OC)OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000096345887 568737674 /nfs/dbraw/zinc/73/76/74/568737674.db2.gz NMOKDHSLVHBKQY-UHFFFAOYSA-N 0 0 409.504 2.822 50 0 HFAARN Cc1ccc2nc3c(cc(C(=O)N4CCN(c5ccccc5F)CC4)n3C)c(=O)n2c1 ZINC000096347353 568737837 /nfs/dbraw/zinc/73/78/37/568737837.db2.gz MYBBLVKGWOAJFK-UHFFFAOYSA-N 0 0 419.460 2.596 50 0 HFAARN CC(C)c1ccc(-n2nc(N3CCN(C(=O)c4cccnc4)CC3)ccc2=O)cc1 ZINC000096358620 568738825 /nfs/dbraw/zinc/73/88/25/568738825.db2.gz BUMJLGPGMZEIOQ-UHFFFAOYSA-N 0 0 403.486 2.713 50 0 HFAARN COC(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000096376167 568740753 /nfs/dbraw/zinc/74/07/53/568740753.db2.gz PLFVHXGZNPCSGG-UHFFFAOYSA-N 0 0 417.483 2.560 50 0 HFAARN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCN(c3ccccc3C)CC2)o1 ZINC000096379598 568741147 /nfs/dbraw/zinc/74/11/47/568741147.db2.gz HSEOXWBPYHJFCQ-UHFFFAOYSA-N 0 0 415.519 2.809 50 0 HFAARN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)o1 ZINC000096379596 568741207 /nfs/dbraw/zinc/74/12/07/568741207.db2.gz GXILOKVNEWJPQG-UHFFFAOYSA-N 0 0 415.519 2.809 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000096385664 568741974 /nfs/dbraw/zinc/74/19/74/568741974.db2.gz XCBVNOBLDNXFOH-UHFFFAOYSA-N 0 0 419.416 2.923 50 0 HFAARN COc1ccc(-n2c(=O)n(CC(=O)NCc3cccc(F)c3)c3cccnc32)cc1 ZINC000096385624 568742016 /nfs/dbraw/zinc/74/20/16/568742016.db2.gz IBSIYKZPDFPAOH-UHFFFAOYSA-N 0 0 406.417 2.651 50 0 HFAARN COc1ccc(-n2c3ncccc3n(CC(=O)NCc3ccccc3OC)c2=O)cc1 ZINC000096385626 568742020 /nfs/dbraw/zinc/74/20/20/568742020.db2.gz XJUBKHPTCPGVPS-UHFFFAOYSA-N 0 0 418.453 2.521 50 0 HFAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NCc1ccccc1 ZINC000000894297 568742450 /nfs/dbraw/zinc/74/24/50/568742450.db2.gz ZPNMDMFWBRDAAD-QGZVFWFLSA-N 0 0 409.511 2.984 50 0 HFAARN Cn1cc(-c2cc(CNC(=O)[C@H]3CCCN3c3nc4ccccc4o3)ccn2)cn1 ZINC000585149688 568742909 /nfs/dbraw/zinc/74/29/09/568742909.db2.gz QCSWDHDNTYVZAM-LJQANCHMSA-N 0 0 402.458 2.909 50 0 HFAARN Cn1cc(-c2cc(CNS(=O)(=O)c3ccccc3Br)ccn2)cn1 ZINC000585150058 568742926 /nfs/dbraw/zinc/74/29/26/568742926.db2.gz OUDNXSOMUKYNFZ-UHFFFAOYSA-N 0 0 407.293 2.723 50 0 HFAARN Cc1ccc(-n2c(CC(=O)N3CCC4(CC3)OCCO4)c3[nH]cccc-3c2=O)cc1 ZINC000096386915 568743752 /nfs/dbraw/zinc/74/37/52/568743752.db2.gz BQFUJONQHLCHFH-IBGZPJMESA-N 0 0 407.470 2.847 50 0 HFAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4cnc5nccnc5c4)C3)CC2)c1 ZINC000096387236 568744051 /nfs/dbraw/zinc/74/40/51/568744051.db2.gz HCRHHCCYJFEMJN-LJQANCHMSA-N 0 0 416.529 2.898 50 0 HFAARN COc1cc(CNC(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)cc(OC)c1 ZINC000096387305 568744244 /nfs/dbraw/zinc/74/42/44/568744244.db2.gz RWLOCTACHPDFNG-INIZCTEOSA-N 0 0 407.474 2.575 50 0 HFAARN 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50 0 HFAARN CC(C)C[C@H](NC(=O)CN1C[C@H](c2ccccc2)CC1=O)C(=O)NCc1ccccc1 ZINC000004017585 568877245 /nfs/dbraw/zinc/87/72/45/568877245.db2.gz XVGQFLOKUNMPIH-YADHBBJMSA-N 0 0 421.541 2.850 50 0 HFAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2ccnc2)c2ccccc21 ZINC000263585137 568878494 /nfs/dbraw/zinc/87/84/94/568878494.db2.gz FMZVXWJRXSLUMA-SFHVURJKSA-N 0 0 411.506 2.627 50 0 biogenic HFAARN COc1cccc(NC(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c1 ZINC000003312931 568878678 /nfs/dbraw/zinc/87/86/78/568878678.db2.gz NHULGCIASILRBP-INIZCTEOSA-N 0 0 405.838 2.630 50 0 HFAARN CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccs1 ZINC000004036222 568879500 /nfs/dbraw/zinc/87/95/00/568879500.db2.gz TZPYUDYWESRYCF-OAHLLOKOSA-N 0 0 413.546 2.620 50 0 HFAARN COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003323555 568880722 /nfs/dbraw/zinc/88/07/22/568880722.db2.gz GVTKURPQTPZUTC-GFCCVEGCSA-N 0 0 413.459 2.827 50 0 HFAARN C[C@H]1CCc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c(C(N)=O)c2C1 ZINC000004072568 568882228 /nfs/dbraw/zinc/88/22/28/568882228.db2.gz CUTQXQKMZALBJQ-NSHDSACASA-N 0 0 411.483 2.878 50 0 HFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000263587246 568882604 /nfs/dbraw/zinc/88/26/04/568882604.db2.gz DVCRTJHJIKKCMZ-RBUKOAKNSA-N 0 0 417.469 2.757 50 0 HFAARN COC(=O)c1cn(CC2(Cc3nnc4ccccn43)CCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263587344 568882901 /nfs/dbraw/zinc/88/29/01/568882901.db2.gz FXAKROJAXHBJBM-UHFFFAOYSA-N 0 0 420.473 2.699 50 0 HFAARN COC(=O)c1cn(CCn2c3ccccc3nc2C(F)(F)F)cc2c(=O)[nH]nc1-2 ZINC000263587540 568883215 /nfs/dbraw/zinc/88/32/15/568883215.db2.gz IAVWVJXDHQYUAQ-UHFFFAOYSA-N 0 0 405.336 2.532 50 0 HFAARN COc1cccc(C(=O)NCCNC(=O)/C=C/c2cccc(OC)c2OC(F)F)c1 ZINC000078254067 568883269 /nfs/dbraw/zinc/88/32/69/568883269.db2.gz RNIVHHALHLWCOY-MDZDMXLPSA-N 0 0 420.412 2.865 50 0 HFAARN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000015367160 568883291 /nfs/dbraw/zinc/88/32/91/568883291.db2.gz IEFMMMTVJJTVNL-RTBURBONSA-N 0 0 404.507 2.785 50 0 HFAARN COC(=O)c1cn(Cc2ccc(-c3nc4ncccc4o3)cc2)cc2c(=O)[nH]nc1-2 ZINC000263587975 568883480 /nfs/dbraw/zinc/88/34/80/568883480.db2.gz NSHROABQQGEQKV-UHFFFAOYSA-N 0 0 401.382 2.714 50 0 HFAARN C[C@@H](C(=O)N1CCCC1)n1c(=O)c2cnn(-c3ccccc3)c2nc1C(F)(F)F ZINC000003340793 568883676 /nfs/dbraw/zinc/88/36/76/568883676.db2.gz DYPBFNGMEUWZSZ-LBPRGKRZSA-N 0 0 405.380 2.784 50 0 HFAARN COc1ccc(CN(C)Cc2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1OC ZINC000003342556 568884029 /nfs/dbraw/zinc/88/40/29/568884029.db2.gz QDKUVUMZUNZLSQ-UHFFFAOYSA-N 0 0 408.520 2.595 50 0 HFAARN CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000003370661 568890425 /nfs/dbraw/zinc/89/04/25/568890425.db2.gz CPRKCGWJDAYBMK-AWEZNQCLSA-N 0 0 420.535 2.538 50 0 HFAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000058139305 568890463 /nfs/dbraw/zinc/89/04/63/568890463.db2.gz DOPBWSIBNLJBMX-UHFFFAOYSA-N 0 0 400.454 2.553 50 0 HFAARN NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccccc1Cc1ccccc1 ZINC000003379148 568891973 /nfs/dbraw/zinc/89/19/73/568891973.db2.gz PLOBXHZMYQAATH-UHFFFAOYSA-N 0 0 424.478 2.999 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOc2ccc(OC)cc2)c1 ZINC000003387450 568893775 /nfs/dbraw/zinc/89/37/75/568893775.db2.gz WKQGSJHOJJEGKN-UHFFFAOYSA-N 0 0 407.488 2.962 50 0 HFAARN C[C@H](NC(=O)NCc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000058172181 568896306 /nfs/dbraw/zinc/89/63/06/568896306.db2.gz XETFMMGNTHIOAY-NSHDSACASA-N 0 0 412.309 2.657 50 0 HFAARN CCCCCn1c(S[C@H](C)C(=O)NC(N)=O)nc2sc3c(c2c1=O)CCC3 ZINC000003402535 568896824 /nfs/dbraw/zinc/89/68/24/568896824.db2.gz HPBCTMXRHPJIJM-SNVBAGLBSA-N 0 0 408.549 2.812 50 0 HFAARN O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000670441976 568897833 /nfs/dbraw/zinc/89/78/33/568897833.db2.gz VVYBBSXAHQREFI-LJQANCHMSA-N 0 0 401.463 2.777 50 0 HFAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(C)C)cc1 ZINC000003421724 568900020 /nfs/dbraw/zinc/90/00/20/568900020.db2.gz KKXJTUVSMYOVCR-UHFFFAOYSA-N 0 0 404.488 2.725 50 0 HFAARN CCCCNc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000003425179 568900381 /nfs/dbraw/zinc/90/03/81/568900381.db2.gz KSJARZIDQVTMGF-UHFFFAOYSA-N 0 0 423.520 2.962 50 0 HFAARN O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl ZINC000003434892 568902447 /nfs/dbraw/zinc/90/24/47/568902447.db2.gz LXDBTZULRQKXHW-UHFFFAOYSA-N 0 0 407.209 2.771 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 ZINC000003435296 568902533 /nfs/dbraw/zinc/90/25/33/568902533.db2.gz BQLIUUYPMHQJNT-HNNXBMFYSA-N 0 0 409.442 2.968 50 0 HFAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000003450126 568905310 /nfs/dbraw/zinc/90/53/10/568905310.db2.gz RYNUNVARNSXRRP-MRXNPFEDSA-N 0 0 410.373 2.817 50 0 HFAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 ZINC000003452169 568905929 /nfs/dbraw/zinc/90/59/29/568905929.db2.gz BVPOVIGFKWCTLX-HXUWFJFHSA-N 0 0 411.502 2.821 50 0 HFAARN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 ZINC000003452706 568906006 /nfs/dbraw/zinc/90/60/06/568906006.db2.gz VBCZHDPCGYLUAW-UHFFFAOYSA-N 0 0 402.516 2.896 50 0 HFAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000003458700 568906636 /nfs/dbraw/zinc/90/66/36/568906636.db2.gz ZRHOONOOKCBMOZ-ZDUSSCGKSA-N 0 0 412.471 2.992 50 0 HFAARN C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1F)N1C(=O)c2ccccc2C1=O ZINC000003480207 568908267 /nfs/dbraw/zinc/90/82/67/568908267.db2.gz GAJZSOMJYYTIIE-SNVBAGLBSA-N 0 0 404.781 2.646 50 0 HFAARN Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1nc[nH]n1 ZINC000012685498 568908281 /nfs/dbraw/zinc/90/82/81/568908281.db2.gz LSWIODHRAKGGSQ-UHFFFAOYSA-N 0 0 424.442 2.966 50 0 HFAARN COc1ccc(OCc2nnc(S[C@H](C)C(N)=O)n2-c2ccccc2F)cc1 ZINC000003492288 568909554 /nfs/dbraw/zinc/90/95/54/568909554.db2.gz NJZNIGNIEOGNAZ-GFCCVEGCSA-N 0 0 402.451 2.960 50 0 HFAARN COc1ccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 ZINC000263615754 568910493 /nfs/dbraw/zinc/91/04/93/568910493.db2.gz FBDXSLWFPPDJBH-UHFFFAOYSA-N 0 0 408.443 2.721 50 0 HFAARN COc1ccccc1[C@H]1NC(=O)N(Cc2ncc(C)c(OC)c2C)C2=C1C(=O)OC2 ZINC000263616206 568910794 /nfs/dbraw/zinc/91/07/94/568910794.db2.gz HPTLMKZDHIGBIV-LJQANCHMSA-N 0 0 409.442 2.793 50 0 HFAARN O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263616500 568910903 /nfs/dbraw/zinc/91/09/03/568910903.db2.gz JAYSTMYGHHZUOA-QFIPXVFZSA-N 0 0 424.549 2.756 50 0 HFAARN O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1CCOc1ccc(F)cc1 ZINC000263617874 568911711 /nfs/dbraw/zinc/91/17/11/568911711.db2.gz QDSKUYWEFTVNOJ-UHFFFAOYSA-N 0 0 420.404 2.669 50 0 HFAARN COc1cc(CC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000003555416 568915214 /nfs/dbraw/zinc/91/52/14/568915214.db2.gz QYHUAEBDHFRNOI-UHFFFAOYSA-N 0 0 400.475 2.969 50 0 HFAARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1C ZINC000003557562 568915473 /nfs/dbraw/zinc/91/54/73/568915473.db2.gz HGVITCUBCHNNHO-UHFFFAOYSA-N 0 0 416.543 2.832 50 0 HFAARN CC1CCN(C(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)CC1 ZINC000004148113 568916514 /nfs/dbraw/zinc/91/65/14/568916514.db2.gz KXCDASYXJZDEEB-UHFFFAOYSA-N 0 0 417.560 2.590 50 0 HFAARN O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)NC[C@H]1CCCO1 ZINC000004164298 568918561 /nfs/dbraw/zinc/91/85/61/568918561.db2.gz GOAGWEFRQSRTFA-CQSZACIVSA-N 0 0 403.895 2.832 50 0 HFAARN COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O ZINC000004165903 568918952 /nfs/dbraw/zinc/91/89/52/568918952.db2.gz OYFCHLCTDXLGRX-UHFFFAOYSA-N 0 0 409.833 2.883 50 0 HFAARN Cn1cccc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779709 568920682 /nfs/dbraw/zinc/92/06/82/568920682.db2.gz ZQCCHPFKEOIIKQ-UHFFFAOYSA-N 0 0 406.509 2.839 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000012727904 568920700 /nfs/dbraw/zinc/92/07/00/568920700.db2.gz WWOGHPNMMRLRAL-UHFFFAOYSA-N 0 0 410.499 2.532 50 0 HFAARN COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)cc1OC ZINC000003653853 568922737 /nfs/dbraw/zinc/92/27/37/568922737.db2.gz OKTNRZHXYNUXSU-UHFFFAOYSA-N 0 0 409.441 2.614 50 0 HFAARN CCOc1ncccc1CNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000031324670 568923492 /nfs/dbraw/zinc/92/34/92/568923492.db2.gz OZQRKOCDCOJERK-UHFFFAOYSA-N 0 0 422.411 2.803 50 0 HFAARN O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(CS(=O)(=O)N2CCCC2)c1 ZINC000223219767 568925566 /nfs/dbraw/zinc/92/55/66/568925566.db2.gz HJFISFQOWKZMHT-UHFFFAOYSA-N 0 0 416.499 2.912 50 0 HFAARN COc1ccc(-c2cc(CNS(=O)(=O)c3cc(OC)ccc3OC)on2)cc1 ZINC000001398139 568925816 /nfs/dbraw/zinc/92/58/16/568925816.db2.gz MLZVALQWUBJLOY-UHFFFAOYSA-N 0 0 404.444 2.846 50 0 HFAARN COc1ccc([C@@H](NC(=O)CN2CCCN(C(=O)c3ccncc3)CC2)C2CC2)cc1 ZINC000083937857 568926646 /nfs/dbraw/zinc/92/66/46/568926646.db2.gz FTCCEFFBNTUWFW-QHCPKHFHSA-N 0 0 422.529 2.506 50 0 HFAARN COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 ZINC000031494392 568926892 /nfs/dbraw/zinc/92/68/92/568926892.db2.gz LFVWCLVBKCKJNB-OAHLLOKOSA-N 0 0 401.415 2.509 50 0 HFAARN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(C)nc2c1c(=O)[nH]c(=O)n2C ZINC000670450943 568926898 /nfs/dbraw/zinc/92/68/98/568926898.db2.gz XSVBYAIIGMVXQT-HNNXBMFYSA-N 0 0 408.458 2.683 50 0 HFAARN CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000012740150 568927002 /nfs/dbraw/zinc/92/70/02/568927002.db2.gz KNRIINUEXZWSFB-UHFFFAOYSA-N 0 0 419.478 2.737 50 0 HFAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cc3occc3c(OC)c2)c1 ZINC000223238064 568927404 /nfs/dbraw/zinc/92/74/04/568927404.db2.gz NLHYDHLUWODIFQ-UHFFFAOYSA-N 0 0 418.471 2.760 50 0 HFAARN CCOC(=O)c1sc2nc(C)n(C[C@H](O)COc3ccc(F)cc3)c(=O)c2c1C ZINC000031560704 568928060 /nfs/dbraw/zinc/92/80/60/568928060.db2.gz TVOPKVJINLCBMW-AWEZNQCLSA-N 0 0 420.462 2.831 50 0 HFAARN CC[C@@H](Sc1nnc(COc2cc(C)cc(C)c2)n1N)C(=O)Nc1cc(C)on1 ZINC000031625856 568928617 /nfs/dbraw/zinc/92/86/17/568928617.db2.gz RYSZWUHDCZQOGP-OAHLLOKOSA-N 0 0 416.507 2.994 50 0 HFAARN COc1ccc(C(=O)N2NC(=O)C(=O)C(c3ccccc3)[C@@]2(O)c2ccccc2)cc1 ZINC000001410079 568929134 /nfs/dbraw/zinc/92/91/34/568929134.db2.gz BDBSMYXJQJNNOT-DEOSSOPVSA-N 0 0 416.433 2.997 50 0 HFAARN CCCc1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)n4cccc(C)c4n3)C2=O)cc1 ZINC000031744973 568930076 /nfs/dbraw/zinc/93/00/76/568930076.db2.gz YTLLQANEQMEQGT-HSZRJFAPSA-N 0 0 404.470 2.923 50 0 HFAARN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(Cl)cc1 ZINC000031751664 568930194 /nfs/dbraw/zinc/93/01/94/568930194.db2.gz KESCMZBRZBSPAS-UHFFFAOYSA-N 0 0 412.920 2.731 50 0 HFAARN Cc1ccc(N2C(=O)CN(CCc3cccs3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000031773751 568930798 /nfs/dbraw/zinc/93/07/98/568930798.db2.gz TYBJOJWEZPAJOZ-ZWKOTPCHSA-N 0 0 424.975 2.767 50 0 HFAARN Cc1cc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)n(-c2ccccc2)n1 ZINC000031801278 568931333 /nfs/dbraw/zinc/93/13/33/568931333.db2.gz IMOXVKRRAUFHLI-MRXNPFEDSA-N 0 0 403.442 2.977 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Cc2ccccc2Cl)CC1 ZINC000031802568 568931657 /nfs/dbraw/zinc/93/16/57/568931657.db2.gz QDHOLOLEGWFFQL-UHFFFAOYSA-N 0 0 409.914 2.516 50 0 HFAARN Cc1nc(C)c(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000058912707 568933190 /nfs/dbraw/zinc/93/31/90/568933190.db2.gz UYIATLMMFUXJMH-UHFFFAOYSA-N 0 0 413.952 2.996 50 0 HFAARN CCCCCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000004061084 568937066 /nfs/dbraw/zinc/93/70/66/568937066.db2.gz HMAJXBKQWVHFHD-VBKZILBWSA-N 0 0 404.463 2.560 50 0 biogenic HFAARN COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)CC1=O ZINC000012750703 568940406 /nfs/dbraw/zinc/94/04/06/568940406.db2.gz AHMJIHLGXKZOSB-HZPDHXFCSA-N 0 0 402.491 2.771 50 0 HFAARN CCN(CC)[C@H](CNC(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1 ZINC000012751260 568940561 /nfs/dbraw/zinc/94/05/61/568940561.db2.gz TWFRHPMETCINCH-HXUWFJFHSA-N 0 0 404.532 2.912 50 0 HFAARN CC(C)N1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 ZINC000004087267 568940704 /nfs/dbraw/zinc/94/07/04/568940704.db2.gz ZUEPROHKJIHXSZ-UHFFFAOYSA-N 0 0 411.483 2.972 50 0 HFAARN O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)N1CCCCC1 ZINC000004087905 568941191 /nfs/dbraw/zinc/94/11/91/568941191.db2.gz WDNVPKNAKBVUHC-UHFFFAOYSA-N 0 0 406.489 2.624 50 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C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1=O ZINC000015842754 569013859 /nfs/dbraw/zinc/01/38/59/569013859.db2.gz RCHZCMFLHBPGKK-CYBMUJFWSA-N 0 0 406.891 2.625 50 0 HFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1=O ZINC000015843011 569013903 /nfs/dbraw/zinc/01/39/03/569013903.db2.gz OFLGXVZDPOVWDM-OAHLLOKOSA-N 0 0 413.499 2.852 50 0 HFAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1=O ZINC000015843090 569013918 /nfs/dbraw/zinc/01/39/18/569013918.db2.gz YNCPTRDTWXXPKA-UHFFFAOYSA-N 0 0 406.891 2.973 50 0 HFAARN COCCCN1CC2=C(C1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 ZINC000012879343 569014249 /nfs/dbraw/zinc/01/42/49/569014249.db2.gz GVYGHDNJYMGHDV-OAQYLSRUSA-N 0 0 407.470 2.752 50 0 HFAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCCC[C@@H]1C ZINC000006143883 569014452 /nfs/dbraw/zinc/01/44/52/569014452.db2.gz ZYMLSCQUTNPDRF-AWEZNQCLSA-N 0 0 424.592 2.977 50 0 HFAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N(C)Cc3ccccc3)c(Cl)c2)C1=O ZINC000015858319 569014761 /nfs/dbraw/zinc/01/47/61/569014761.db2.gz NELSYXZZCWJEHQ-CYBMUJFWSA-N 0 0 406.891 2.925 50 0 HFAARN CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 ZINC000015858285 569014787 /nfs/dbraw/zinc/01/47/87/569014787.db2.gz CXPRWZAEILPLIK-UHFFFAOYSA-N 0 0 406.847 2.861 50 0 HFAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCCc3ccccc3F)c(Cl)c2)C1=O ZINC000015858338 569014832 /nfs/dbraw/zinc/01/48/32/569014832.db2.gz VSNOLKTULDWSKY-LBPRGKRZSA-N 0 0 424.881 2.764 50 0 HFAARN COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 ZINC000015858426 569014900 /nfs/dbraw/zinc/01/49/00/569014900.db2.gz QYHRBFSINBHHDE-LLVKDONJSA-N 0 0 408.863 2.913 50 0 HFAARN CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 ZINC000015858671 569014948 /nfs/dbraw/zinc/01/49/48/569014948.db2.gz RSCZUVYPQOZVFZ-UHFFFAOYSA-N 0 0 400.456 2.844 50 0 HFAARN Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1C ZINC000015866632 569016846 /nfs/dbraw/zinc/01/68/46/569016846.db2.gz AFBHTILCJDPVCN-UHFFFAOYSA-N 0 0 424.526 2.565 50 0 HFAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NC[C@H]4CCCO4)CC3)[nH]c2c1 ZINC000015868629 569017368 /nfs/dbraw/zinc/01/73/68/569017368.db2.gz TWLYJGXOJRBDSK-HNAYVOBHSA-N 0 0 413.518 2.960 50 0 HFAARN CCOC(=O)c1ccccc1NC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC ZINC000015881293 569018470 /nfs/dbraw/zinc/01/84/70/569018470.db2.gz KOHHREZZRQLBDL-UHFFFAOYSA-N 0 0 407.426 2.979 50 0 HFAARN O=C(CSc1nnc2ccc(-c3cccnc3)nn21)Nc1ccc2c(c1)OCCO2 ZINC000015881735 569018809 /nfs/dbraw/zinc/01/88/09/569018809.db2.gz HHYAKBHXDQUXSV-UHFFFAOYSA-N 0 0 420.454 2.688 50 0 HFAARN COc1ccc(C(=O)N(C)CCOc2cc(C)cc(C)c2)cc1S(=O)(=O)N(C)C ZINC000012882326 569018922 /nfs/dbraw/zinc/01/89/22/569018922.db2.gz GGVBRVOYQMXTFM-UHFFFAOYSA-N 0 0 420.531 2.713 50 0 HFAARN Cc1noc(C)c1CCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000012884285 569019391 /nfs/dbraw/zinc/01/93/91/569019391.db2.gz GEWHXIOSTHYWFW-INIZCTEOSA-N 0 0 410.474 2.668 50 0 HFAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(C(=O)OC)o1 ZINC000015883614 569019446 /nfs/dbraw/zinc/01/94/46/569019446.db2.gz VHGUHVADYXUKEF-UHFFFAOYSA-N 0 0 417.487 2.647 50 0 HFAARN COc1ccc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC ZINC000012887312 569019583 /nfs/dbraw/zinc/01/95/83/569019583.db2.gz SOBVCTUNMZSJRO-UHFFFAOYSA-N 0 0 404.488 2.651 50 0 HFAARN Cc1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nn1-c1ccc(F)cc1 ZINC000012886148 569019789 /nfs/dbraw/zinc/01/97/89/569019789.db2.gz FEKMTKWXEUCKRP-UHFFFAOYSA-N 0 0 407.327 2.501 50 0 HFAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000012890124 569019887 /nfs/dbraw/zinc/01/98/87/569019887.db2.gz VGYJDIJHBYUSLQ-UHFFFAOYSA-N 0 0 403.442 2.954 50 0 HFAARN C[C@H](Sc1ncnc2sccc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012900292 569020609 /nfs/dbraw/zinc/02/06/09/569020609.db2.gz UIVDTTUOCXXSFI-LBPRGKRZSA-N 0 0 402.501 2.750 50 0 HFAARN COc1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000012904077 569021033 /nfs/dbraw/zinc/02/10/33/569021033.db2.gz PTPZEDVFUVTNIM-UHFFFAOYSA-N 0 0 407.463 2.978 50 0 HFAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000012914637 569022139 /nfs/dbraw/zinc/02/21/39/569022139.db2.gz RQZXREZDZROTLS-LJQANCHMSA-N 0 0 409.442 2.734 50 0 HFAARN CNC(=O)c1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 ZINC000012914861 569022174 /nfs/dbraw/zinc/02/21/74/569022174.db2.gz KGWIYGCZCKISMA-UHFFFAOYSA-N 0 0 420.395 2.691 50 0 HFAARN CC(C)c1ccc(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000012916105 569022563 /nfs/dbraw/zinc/02/25/63/569022563.db2.gz QTXXLQOKEZCDTO-UHFFFAOYSA-N 0 0 422.572 2.865 50 0 HFAARN Cc1cc(NC(=O)[C@H]2CCCO2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000012925628 569023675 /nfs/dbraw/zinc/02/36/75/569023675.db2.gz BVQUDVBWLUUQFP-GOSISDBHSA-N 0 0 402.472 2.768 50 0 HFAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000012926221 569023777 /nfs/dbraw/zinc/02/37/77/569023777.db2.gz HBLITOFVSKENLC-UHFFFAOYSA-N 0 0 410.470 2.698 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2ccc(F)cc2)c1 ZINC000015941061 569024150 /nfs/dbraw/zinc/02/41/50/569024150.db2.gz MZVOBUPCABROPM-UHFFFAOYSA-N 0 0 419.522 2.649 50 0 HFAARN O=C([C@@H]1Cc2ccccc2O1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012928699 569024292 /nfs/dbraw/zinc/02/42/92/569024292.db2.gz CGDCFASBHUKNGC-NRFANRHFSA-N 0 0 412.511 2.754 50 0 HFAARN COCCCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(OC)cc4)nc-3c2c1 ZINC000101828265 569024408 /nfs/dbraw/zinc/02/44/08/569024408.db2.gz RHGDLJHGMYFHAW-UHFFFAOYSA-N 0 0 406.442 2.594 50 0 HFAARN O=C(Nc1cc(F)ccc1F)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000015944033 569024464 /nfs/dbraw/zinc/02/44/64/569024464.db2.gz LAGSIRCGJKOVGL-CQSZACIVSA-N 0 0 424.454 2.761 50 0 HFAARN O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1C(F)(F)F ZINC000015962690 569024861 /nfs/dbraw/zinc/02/48/61/569024861.db2.gz PBEASKMMDKRBCP-UHFFFAOYSA-N 0 0 418.375 2.560 50 0 HFAARN CCC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)COCc2ccc(OC)cc2)C1=O ZINC000012934988 569026218 /nfs/dbraw/zinc/02/62/18/569026218.db2.gz NUXUJVBKZLPKDD-CVDCTZTESA-N 0 0 412.486 2.820 50 0 HFAARN Cc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]2)cc1 ZINC000012941100 569028594 /nfs/dbraw/zinc/02/85/94/569028594.db2.gz XRYDSARJHVAIDG-UHFFFAOYSA-N 0 0 411.487 2.817 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)c1C ZINC000012944832 569028991 /nfs/dbraw/zinc/02/89/91/569028991.db2.gz GJMVADLICZFNHY-SFHVURJKSA-N 0 0 413.493 2.993 50 0 HFAARN Cn1c2nc(NCCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000006188066 569029667 /nfs/dbraw/zinc/02/96/67/569029667.db2.gz RHKJOCOWLQQQLA-UHFFFAOYSA-N 0 0 409.877 2.780 50 0 HFAARN CCn1c(COC(=O)c2cc(C)oc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006972362 569031320 /nfs/dbraw/zinc/03/13/20/569031320.db2.gz QLGNCWQPJHMQMD-UHFFFAOYSA-N 0 0 405.476 2.873 50 0 HFAARN CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccsc2)n2cccn2)cc1 ZINC000575613336 569032636 /nfs/dbraw/zinc/03/26/36/569032636.db2.gz FXIRMPKZOQBVRJ-GOSISDBHSA-N 0 0 403.529 2.687 50 0 HFAARN C[C@@H](C(=O)c1c[nH]c2ccccc21)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000035338935 569033115 /nfs/dbraw/zinc/03/31/15/569033115.db2.gz KXWSLGWBDJKSBW-KSFYIVLOSA-N 0 0 419.481 2.723 50 0 HFAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC ZINC000006213395 569033233 /nfs/dbraw/zinc/03/32/33/569033233.db2.gz SOJURCZXOSRFKC-UHFFFAOYSA-N 0 0 420.487 2.749 50 0 HFAARN COc1ccccc1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035363913 569033576 /nfs/dbraw/zinc/03/35/76/569033576.db2.gz ZDCGAEULNLJTAZ-LEWJYISDSA-N 0 0 409.530 2.557 50 0 biogenic HFAARN Cc1oc2ncn(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)c2c1C ZINC000035378456 569034268 /nfs/dbraw/zinc/03/42/68/569034268.db2.gz PEKVQKLMGCGAIS-UHFFFAOYSA-N 0 0 408.502 2.962 50 0 HFAARN O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCC2(CC1)OCCO2 ZINC000035398667 569035214 /nfs/dbraw/zinc/03/52/14/569035214.db2.gz KTIDADGTWYWOES-LJQANCHMSA-N 0 0 408.502 2.726 50 0 HFAARN COc1ccc(OC)c(CNS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1 ZINC000035405235 569035812 /nfs/dbraw/zinc/03/58/12/569035812.db2.gz XUIZDMAKGIKKCR-UHFFFAOYSA-N 0 0 424.544 2.870 50 0 HFAARN COc1cccc(NC(=O)CCn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)c1 ZINC000035424075 569036485 /nfs/dbraw/zinc/03/64/85/569036485.db2.gz DLIQGELXTAZCKD-UHFFFAOYSA-N 0 0 422.441 2.932 50 0 HFAARN Cn1nccc1-c1cncc(CNC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000575616148 569036685 /nfs/dbraw/zinc/03/66/85/569036685.db2.gz JYIOAFIBFDSLMH-IBGZPJMESA-N 0 0 402.458 2.909 50 0 HFAARN COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000035430707 569036744 /nfs/dbraw/zinc/03/67/44/569036744.db2.gz NXVSMLBAHHLSCK-UHFFFAOYSA-N 0 0 420.513 2.662 50 0 biogenic HFAARN CCc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c1 ZINC000035430772 569036831 /nfs/dbraw/zinc/03/68/31/569036831.db2.gz QEVAFDNOJMPJJS-UHFFFAOYSA-N 0 0 404.514 2.907 50 0 biogenic HFAARN Cc1cccc(C2=NC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)NC2=O)c1 ZINC000035432563 569036957 /nfs/dbraw/zinc/03/69/57/569036957.db2.gz URNRRUNPIHUIHR-UHFFFAOYSA-N 0 0 417.918 2.748 50 0 HFAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1 ZINC000035431305 569037107 /nfs/dbraw/zinc/03/71/07/569037107.db2.gz KQAQFRSKRRUYGA-UHFFFAOYSA-N 0 0 419.503 2.629 50 0 HFAARN O=C(CNC(=O)OCc1ccccc1)NCc1nc(C2CCC(F)(F)CC2)no1 ZINC000575617297 569037304 /nfs/dbraw/zinc/03/73/04/569037304.db2.gz SGGTZIGKJZUSJY-UHFFFAOYSA-N 0 0 408.405 2.905 50 0 HFAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)c2)no1 ZINC000035457624 569037785 /nfs/dbraw/zinc/03/77/85/569037785.db2.gz IGSCYHXLNHLZNC-UHFFFAOYSA-N 0 0 424.548 2.520 50 0 HFAARN CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)N4CCCCC4)o3)cc2)CC1 ZINC000035461542 569038038 /nfs/dbraw/zinc/03/80/38/569038038.db2.gz KEYMRTYSKKENBK-UHFFFAOYSA-N 0 0 418.519 2.783 50 0 HFAARN O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000006317282 569040329 /nfs/dbraw/zinc/04/03/29/569040329.db2.gz KUQNOGGMRWLPSE-LLVKDONJSA-N 0 0 404.698 2.902 50 0 HFAARN O=C(c1nnc(-c2csc(S(=O)(=O)N3CCCCC3)c2)o1)N1CCCCC1 ZINC000035461295 569038266 /nfs/dbraw/zinc/03/82/66/569038266.db2.gz AWDVRELMRSUZCH-UHFFFAOYSA-N 0 0 410.521 2.599 50 0 HFAARN Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000035477932 569038450 /nfs/dbraw/zinc/03/84/50/569038450.db2.gz VTPQJNBFANOZJZ-UHFFFAOYSA-N 0 0 418.453 2.640 50 0 HFAARN Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C ZINC000006301621 569038500 /nfs/dbraw/zinc/03/85/00/569038500.db2.gz NRKIHPBCXQWMPN-INIZCTEOSA-N 0 0 419.528 2.687 50 0 HFAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3cncc(N4CCCC4=O)c3)cc2)co1 ZINC000575619562 569038732 /nfs/dbraw/zinc/03/87/32/569038732.db2.gz NBYLQDFRLVZAFD-UHFFFAOYSA-N 0 0 412.471 2.650 50 0 HFAARN COC(=O)c1sccc1S(=O)(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 ZINC000575621152 569038969 /nfs/dbraw/zinc/03/89/69/569038969.db2.gz YGDUIJQTUYWLCF-MRXNPFEDSA-N 0 0 417.512 2.605 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCc3nc(N4CCCCC4)ncc3C2)cc1 ZINC000035484023 569039670 /nfs/dbraw/zinc/03/96/70/569039670.db2.gz KIERQNCLGJCAAL-UHFFFAOYSA-N 0 0 402.520 2.613 50 0 HFAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)ccc1=O ZINC000035503460 569040750 /nfs/dbraw/zinc/04/07/50/569040750.db2.gz WEPQYZZMEPGQBE-UHFFFAOYSA-N 0 0 414.487 2.597 50 0 HFAARN CCc1ccc(NC(=O)CN2CCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000035505390 569040846 /nfs/dbraw/zinc/04/08/46/569040846.db2.gz UPXFKGYZASOUDO-UHFFFAOYSA-N 0 0 401.532 2.867 50 0 HFAARN O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CSc2nccc(=O)n2C1 ZINC000090609919 569042548 /nfs/dbraw/zinc/04/25/48/569042548.db2.gz LGXHWQPOUXENJU-SFHVURJKSA-N 0 0 407.495 2.861 50 0 HFAARN O=S(=O)(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(Br)s1 ZINC000090611561 569042804 /nfs/dbraw/zinc/04/28/04/569042804.db2.gz KUBYYEUTWLYXDF-OAHLLOKOSA-N 0 0 402.335 2.709 50 0 HFAARN O=S(=O)(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 ZINC000090610643 569042851 /nfs/dbraw/zinc/04/28/51/569042851.db2.gz FRRYYTAHFOGXHN-HNNXBMFYSA-N 0 0 403.378 2.532 50 0 HFAARN O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)cc1 ZINC000090612642 569042871 /nfs/dbraw/zinc/04/28/71/569042871.db2.gz FNQKJAHILDASQO-AWEZNQCLSA-N 0 0 419.377 2.716 50 0 HFAARN Cc1cccc(Cn2cccc2CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000035534797 569043434 /nfs/dbraw/zinc/04/34/34/569043434.db2.gz ZVROITVFOAMZKJ-UHFFFAOYSA-N 0 0 411.483 2.768 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000035537021 569043643 /nfs/dbraw/zinc/04/36/43/569043643.db2.gz XFYHLDJONYKAIW-UHFFFAOYSA-N 0 0 409.483 2.538 50 0 HFAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C)CC1 ZINC000006339342 569044471 /nfs/dbraw/zinc/04/44/71/569044471.db2.gz CDGCQNZCVMHGKB-UHFFFAOYSA-N 0 0 416.499 2.821 50 0 HFAARN O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000006346972 569044526 /nfs/dbraw/zinc/04/45/26/569044526.db2.gz VNMKZVCREJGZQZ-UHFFFAOYSA-N 0 0 407.495 2.759 50 0 HFAARN O=C(COC(=O)c1csc(NCc2ccccc2)n1)NC(=O)NC1CCCC1 ZINC000006373534 569045330 /nfs/dbraw/zinc/04/53/30/569045330.db2.gz XDYCSHQZNYKBLB-UHFFFAOYSA-N 0 0 402.476 2.680 50 0 HFAARN O=C1CN(CCc2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000035595107 569045525 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CC[C@@]1(C)NC(=O)N(NC(=O)CN[C@@H](c2cc3ccccc3o2)c2ccccc2)C1=O ZINC000013018388 569051042 /nfs/dbraw/zinc/05/10/42/569051042.db2.gz GETNSXFLUGXKHV-NFBKMPQASA-N 0 0 420.469 2.864 50 0 HFAARN COc1ccc(COC(=O)c2sccc2S(N)(=O)=O)cc1Br ZINC000013023306 569051235 /nfs/dbraw/zinc/05/12/35/569051235.db2.gz HDALEFAPNXZIES-UHFFFAOYSA-N 0 0 406.279 2.524 50 0 HFAARN COC(=O)c1cn(CC(=O)N(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000253413120 569051480 /nfs/dbraw/zinc/05/14/80/569051480.db2.gz TWFHBSZSRVTOLR-UHFFFAOYSA-N 0 0 402.410 2.828 50 0 HFAARN COCCNC(=O)[C@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccc(OC)cc1 ZINC000035703748 569052668 /nfs/dbraw/zinc/05/26/68/569052668.db2.gz NWUSBOXYAKBLLW-NQIIRXRSSA-N 0 0 400.500 2.714 50 0 HFAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)C12CCCCC2 ZINC000049543793 569053146 /nfs/dbraw/zinc/05/31/46/569053146.db2.gz ZZQHTMSZVCPXIA-FXAWDEMLSA-N 0 0 400.519 2.871 50 0 biogenic HFAARN CCOc1ccccc1C(=O)NCCCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000089270090 569053898 /nfs/dbraw/zinc/05/38/98/569053898.db2.gz ZGYYSXYEPLYOEX-JTSKRJEESA-N 0 0 404.507 2.833 50 0 HFAARN CSCC[C@H](C(=O)NCCc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239352511 569054242 /nfs/dbraw/zinc/05/42/42/569054242.db2.gz ACMUMMIQRWQBGP-JFIYKMOQSA-N 0 0 406.523 2.781 50 0 HFAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000241126151 569054728 /nfs/dbraw/zinc/05/47/28/569054728.db2.gz JJVZIYZQPPOQCZ-SJLPKXTDSA-N 0 0 407.580 2.976 50 0 HFAARN COC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000242389533 569055047 /nfs/dbraw/zinc/05/50/47/569055047.db2.gz ZYBLZZVTUWXPKE-ZIAGYGMSSA-N 0 0 403.456 2.545 50 0 HFAARN CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000244773903 569055092 /nfs/dbraw/zinc/05/50/92/569055092.db2.gz PINLPLCLAXZGLQ-VAWZGJIGSA-N 0 0 419.518 2.699 50 0 HFAARN CCN(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)CC(=O)NC(C)C ZINC000016563379 569059190 /nfs/dbraw/zinc/05/91/90/569059190.db2.gz 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/nfs/dbraw/zinc/06/71/77/569067177.db2.gz HYNCSOGDDHQOCC-UHFFFAOYSA-N 0 0 404.405 2.870 50 0 HFAARN CCn1c(SC)nnc1-c1nn(C)c2c1CN(C(=O)CCc1ccccc1)CC2 ZINC000064567145 569067309 /nfs/dbraw/zinc/06/73/09/569067309.db2.gz DNJFYCLEFBDSTO-UHFFFAOYSA-N 0 0 410.547 2.938 50 0 HFAARN COCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(F)cc1 ZINC000035947615 569067387 /nfs/dbraw/zinc/06/73/87/569067387.db2.gz DDYOKJVKTPBBLA-FQEVSTJZSA-N 0 0 413.449 2.617 50 0 HFAARN CCn1c(=O)c(N2CCC(NC(=O)Nc3ccccc3F)CC2)nc2cccnc21 ZINC000064579131 569068295 /nfs/dbraw/zinc/06/82/95/569068295.db2.gz PXWGWFGWQRTJRH-UHFFFAOYSA-N 0 0 410.453 2.741 50 0 HFAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)c1 ZINC000064580559 569068508 /nfs/dbraw/zinc/06/85/08/569068508.db2.gz DGZFHWBTNKIULC-UHFFFAOYSA-N 0 0 403.504 2.554 50 0 HFAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)NCC(C)C)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000035967713 569069230 /nfs/dbraw/zinc/06/92/30/569069230.db2.gz MNPWDKRFYFGDSK-FZKQIMNGSA-N 0 0 418.925 2.683 50 0 HFAARN CCN1C2=C(C(=O)N(CCC(=O)NCC(C)C)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035967457 569069274 /nfs/dbraw/zinc/06/92/74/569069274.db2.gz SLELLNWRSTWAJN-OAQYLSRUSA-N 0 0 412.534 2.648 50 0 HFAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)Nc1ccccc1F ZINC000064593350 569069513 /nfs/dbraw/zinc/06/95/13/569069513.db2.gz NNFWYSVNGXOYTB-UHFFFAOYSA-N 0 0 413.409 2.889 50 0 HFAARN Cc1c(Cl)cccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007972289 569069735 /nfs/dbraw/zinc/06/97/35/569069735.db2.gz CGGHLFYMANHGRT-UHFFFAOYSA-N 0 0 407.923 2.593 50 0 HFAARN Cc1c(I)ccc(=O)n1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000089536834 569069983 /nfs/dbraw/zinc/06/99/83/569069983.db2.gz HELPCGSQBUOJGG-ZFWWWQNUSA-N 0 0 414.287 2.943 50 0 HFAARN CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000004217959 569071123 /nfs/dbraw/zinc/07/11/23/569071123.db2.gz XWXWMOIWALSJEV-UHFFFAOYSA-N 0 0 414.940 2.793 50 0 HFAARN CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006607104 569071535 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ZINC000170620169 569248707 /nfs/dbraw/zinc/24/87/07/569248707.db2.gz SPIGRQDEPKQJEE-IBGZPJMESA-N 0 0 414.874 2.523 50 0 HFAARN O=C1NC2(CCSCC2)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000170621010 569248854 /nfs/dbraw/zinc/24/88/54/569248854.db2.gz VZECLNSNWZQHNX-LLVKDONJSA-N 0 0 405.303 2.551 50 0 HFAARN O=C(Nc1ncc(Cc2ccccc2)s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000170620705 569248864 /nfs/dbraw/zinc/24/88/64/569248864.db2.gz BQWCEMRLWUZVAK-QGZVFWFLSA-N 0 0 400.504 2.589 50 0 HFAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ncccn3)CC2)cc1Cl ZINC000071011382 569251041 /nfs/dbraw/zinc/25/10/41/569251041.db2.gz PFRZPQFMVKJOOU-UHFFFAOYSA-N 0 0 412.881 2.881 50 0 HFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000071283854 569252000 /nfs/dbraw/zinc/25/20/00/569252000.db2.gz SSRLSGAUYAHZAR-KGLIPLIRSA-N 0 0 405.476 2.692 50 0 HFAARN COc1ccc2c(ccn2CCNC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 ZINC000071286443 569252254 /nfs/dbraw/zinc/25/22/54/569252254.db2.gz IZWWQGXTKPATCX-UHFFFAOYSA-N 0 0 420.444 2.829 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4ccccc43)n2)cc1 ZINC000071286998 569252275 /nfs/dbraw/zinc/25/22/75/569252275.db2.gz LUXSGRPGNGULOA-UHFFFAOYSA-N 0 0 402.454 2.690 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1SC(C)=Nc2c1c(=O)[nH]n2C(C)C ZINC000071288754 569252524 /nfs/dbraw/zinc/25/25/24/569252524.db2.gz GXTGGXSAKABBKO-CZUORRHYSA-N 0 0 423.564 2.816 50 0 HFAARN O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 ZINC000071819989 569254526 /nfs/dbraw/zinc/25/45/26/569254526.db2.gz SBMIOQKJJOEYIJ-SFHVURJKSA-N 0 0 403.548 2.604 50 0 HFAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000013327260 569254986 /nfs/dbraw/zinc/25/49/86/569254986.db2.gz WAUCKNAIILAIGP-UHFFFAOYSA-N 0 0 404.444 2.568 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)C)CC2)cc1 ZINC000013657051 569256821 /nfs/dbraw/zinc/25/68/21/569256821.db2.gz QVZGTVSKVYBCSK-UHFFFAOYSA-N 0 0 420.535 2.820 50 0 HFAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n(C(C)C)n1 ZINC000013656893 569256840 /nfs/dbraw/zinc/25/68/40/569256840.db2.gz RVNAIRQBWKPJJN-HOTGVXAUSA-N 0 0 420.535 2.823 50 0 HFAARN O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3F)cc21 ZINC000013696815 569257034 /nfs/dbraw/zinc/25/70/34/569257034.db2.gz SHNPTCPHQGWGEH-IBGZPJMESA-N 0 0 404.463 2.836 50 0 HFAARN Cc1ccc(-c2cc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1 ZINC000013806648 569257962 /nfs/dbraw/zinc/25/79/62/569257962.db2.gz OPVIEOLFTKGHRE-UHFFFAOYSA-N 0 0 402.498 2.563 50 0 HFAARN O=C(Cc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1)N1CCOCC1 ZINC000013849022 569258096 /nfs/dbraw/zinc/25/80/96/569258096.db2.gz HEIYDZDMZASRNY-UHFFFAOYSA-N 0 0 408.907 2.683 50 0 HFAARN COc1ccc([C@H](NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2nccn2C)cc1 ZINC000014118570 569258586 /nfs/dbraw/zinc/25/85/86/569258586.db2.gz UFGQHFSWSFGSAJ-SFHVURJKSA-N 0 0 420.391 2.515 50 0 HFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCc2sccc2C1 ZINC000014301720 569259249 /nfs/dbraw/zinc/25/92/49/569259249.db2.gz AGHLOAGHEPOMRR-UHFFFAOYSA-N 0 0 423.585 2.605 50 0 HFAARN COc1ccccc1OC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000014472322 569260153 /nfs/dbraw/zinc/26/01/53/569260153.db2.gz ZWTGWJMAPIYWNS-UHFFFAOYSA-N 0 0 411.426 2.980 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000089634970 569261533 /nfs/dbraw/zinc/26/15/33/569261533.db2.gz CDTCIGDKLRBKBQ-UHFFFAOYSA-N 0 0 401.532 2.557 50 0 HFAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000016725641 569261578 /nfs/dbraw/zinc/26/15/78/569261578.db2.gz DNNQSOLBGFJDCJ-UHFFFAOYSA-N 0 0 422.919 2.545 50 0 HFAARN CN(CC(=O)Nc1cc(-c2nccn2C)no1)C(=O)c1ccc(Br)s1 ZINC000089761491 569263505 /nfs/dbraw/zinc/26/35/05/569263505.db2.gz QNXKUQLPMODPPE-UHFFFAOYSA-N 0 0 424.280 2.610 50 0 HFAARN Cn1ccnc1COc1ccc(COC(=O)CCOc2ccccc2C(N)=O)cc1 ZINC000089761471 569263535 /nfs/dbraw/zinc/26/35/35/569263535.db2.gz ZZVSSJPHBMMSBI-UHFFFAOYSA-N 0 0 409.442 2.610 50 0 HFAARN COc1ccc(C)cc1NC(=O)c1cn(C)c2c1[nH]c(=O)n(Cc1ccccc1)c2=O ZINC000016837845 569263914 /nfs/dbraw/zinc/26/39/14/569263914.db2.gz SWZPHSVNFUXSAA-UHFFFAOYSA-N 0 0 418.453 2.646 50 0 HFAARN Nc1nc(SCC(=O)Nc2cccc(F)c2)ncc1S(=O)(=O)c1cccs1 ZINC000016842146 569264618 /nfs/dbraw/zinc/26/46/18/569264618.db2.gz NKXGESNGFVTLFX-UHFFFAOYSA-N 0 0 424.504 2.823 50 0 HFAARN Cc1cccc(Cn2nnc3c2ncn(Cc2nc(-c4ccc(F)cc4)no2)c3=O)c1 ZINC000016845504 569265039 /nfs/dbraw/zinc/26/50/39/569265039.db2.gz MKBUWSWZXQPIOY-UHFFFAOYSA-N 0 0 417.404 2.582 50 0 HFAARN O=C(COC(=O)Cc1ccc(O)cc1)Nc1ccc(I)cc1 ZINC000007574603 569266648 /nfs/dbraw/zinc/26/66/48/569266648.db2.gz BTBKGCLCLMENCV-UHFFFAOYSA-N 0 0 411.195 2.721 50 0 HFAARN O=S(=O)(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cccc2c1N=S=N2 ZINC000089834883 569266754 /nfs/dbraw/zinc/26/67/54/569266754.db2.gz TWHNQMXRXOOESG-NVXWUHKLSA-N 0 0 418.544 2.574 50 0 HFAARN O=C(Cc1csc(N2CCCNC2=O)n1)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000089836641 569266786 /nfs/dbraw/zinc/26/67/86/569266786.db2.gz TXYRXUJIVLQIOX-ZWKOTPCHSA-N 0 0 414.531 2.859 50 0 HFAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2Sc2ccccc2)cc1 ZINC000089847861 569267169 /nfs/dbraw/zinc/26/71/69/569267169.db2.gz HJAJTSBGZXFUGA-UHFFFAOYSA-N 0 0 413.524 2.853 50 0 HFAARN COc1cc(C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000016943393 569268067 /nfs/dbraw/zinc/26/80/67/569268067.db2.gz XIDGGYLROZVZMD-NRFANRHFSA-N 0 0 414.502 2.906 50 0 HFAARN COC(=O)c1ccc(N2CCN(C(=O)CSCc3cscn3)[C@H](C)C2)cc1 ZINC000089938048 569269137 /nfs/dbraw/zinc/26/91/37/569269137.db2.gz RBOJALYIIPEUEI-CQSZACIVSA-N 0 0 405.545 2.900 50 0 HFAARN COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1=O ZINC000089941451 569269231 /nfs/dbraw/zinc/26/92/31/569269231.db2.gz PSAKXEBLBULGAV-LZLYRXPVSA-N 0 0 422.481 2.958 50 0 HFAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccn(C)n3)c2)cc1 ZINC000016975002 569269910 /nfs/dbraw/zinc/26/99/10/569269910.db2.gz JDNLINBBZSOQPK-UHFFFAOYSA-N 0 0 400.460 2.872 50 0 HFAARN Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)[nH]c2=O)c(C)c1 ZINC000017015252 569271773 /nfs/dbraw/zinc/27/17/73/569271773.db2.gz AHRLHYIXURXMKX-NRFANRHFSA-N 0 0 416.481 2.907 50 0 biogenic HFAARN Cc1ccc2nc3sc(C(=O)NC[C@H]4COc5ccccc5O4)cc3c(=O)n2c1 ZINC000017122420 569275132 /nfs/dbraw/zinc/27/51/32/569275132.db2.gz BXXFEELEBPDSNN-ZDUSSCGKSA-N 0 0 407.451 2.787 50 0 HFAARN Cn1cc(C(=O)NC2CCCCC2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000017149004 569275723 /nfs/dbraw/zinc/27/57/23/569275723.db2.gz OMTNOQZOFWRCJH-UHFFFAOYSA-N 0 0 400.866 2.733 50 0 HFAARN O=C(Cc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000017178678 569276273 /nfs/dbraw/zinc/27/62/73/569276273.db2.gz IQJWXDWCWKVYNH-UHFFFAOYSA-N 0 0 411.889 2.996 50 0 HFAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1 ZINC000001079173 569277210 /nfs/dbraw/zinc/27/72/10/569277210.db2.gz BNMVJPMJDISEMI-UHFFFAOYSA-N 0 0 422.934 2.990 50 0 HFAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2F)cc1 ZINC000003020257 569278562 /nfs/dbraw/zinc/27/85/62/569278562.db2.gz REKBEBABTZSQBS-UHFFFAOYSA-N 0 0 406.479 2.939 50 0 HFAARN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000006703065 569279990 /nfs/dbraw/zinc/27/99/90/569279990.db2.gz TWXVHTIBIYOLNE-UHFFFAOYSA-N 0 0 409.511 2.952 50 0 HFAARN COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)c2)C1=O ZINC000002098477 569281144 /nfs/dbraw/zinc/28/11/44/569281144.db2.gz LSCLDHJUDXSUFI-REWPJTCUSA-N 0 0 403.482 2.808 50 0 biogenic HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002124343 569285734 /nfs/dbraw/zinc/28/57/34/569285734.db2.gz NOEUTJPGRFROPL-DNVCBOLYSA-N 0 0 409.438 2.769 50 0 biogenic HFAARN COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1S(=O)(=O)NC1CC1 ZINC000007597434 569287753 /nfs/dbraw/zinc/28/77/53/569287753.db2.gz SQZFDAXZSMAMJN-UHFFFAOYSA-N 0 0 402.428 2.634 50 0 HFAARN Cc1nnn(-c2ccc(NC(=O)[C@H](Sc3nnc(N)s3)c3ccccc3)cc2)n1 ZINC000252480247 569288912 /nfs/dbraw/zinc/28/89/12/569288912.db2.gz BYZMKSIKXGLNRI-OAHLLOKOSA-N 0 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/nfs/dbraw/zinc/29/84/45/569298445.db2.gz FFQBZRNFGRKBOE-DEOSSOPVSA-N 0 0 419.481 2.939 50 0 HFAARN CCCc1cc(=O)[nH]c(SCc2cc(=O)n3cc(Br)ccc3n2)n1 ZINC000007654090 569299112 /nfs/dbraw/zinc/29/91/12/569299112.db2.gz QXBFCJBBFBPJCK-UHFFFAOYSA-N 0 0 407.293 2.785 50 0 HFAARN COc1cc(N)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000007656765 569299239 /nfs/dbraw/zinc/29/92/39/569299239.db2.gz VBVVEINMSLAKGV-SNVBAGLBSA-N 0 0 406.822 2.886 50 0 HFAARN COCCNC(=O)[C@@H](c1ccccc1)n1ccs/c1=N\C(=O)c1ccc(C)cc1 ZINC000037436676 569299377 /nfs/dbraw/zinc/29/93/77/569299377.db2.gz CPUAATRGJKYCHJ-MAVBTGMRSA-N 0 0 409.511 2.951 50 0 HFAARN COc1ccc(CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC000007662116 569299752 /nfs/dbraw/zinc/29/97/52/569299752.db2.gz KJJWEJZCNWXJKC-UHFFFAOYSA-N 0 0 421.419 2.832 50 0 HFAARN Cc1ccc(NC(=O)CN(C)CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000007676504 569300153 /nfs/dbraw/zinc/30/01/53/569300153.db2.gz LLAADZBFJDMHKU-FQEVSTJZSA-N 0 0 408.546 2.771 50 0 HFAARN 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CCOC(=O)Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1cccc(Cl)c1 ZINC000037558579 569306574 /nfs/dbraw/zinc/30/65/74/569306574.db2.gz OKENCTDKGDCKHI-UHFFFAOYSA-N 0 0 418.881 2.612 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc2ncccc21 ZINC000007757909 569307207 /nfs/dbraw/zinc/30/72/07/569307207.db2.gz CSHUTTIBDWNQHA-UHFFFAOYSA-N 0 0 411.483 2.816 50 0 HFAARN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCO ZINC000002212534 569307769 /nfs/dbraw/zinc/30/77/69/569307769.db2.gz OHLHONSDYAZWHY-UHFFFAOYSA-N 0 0 402.863 2.645 50 0 HFAARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)s1 ZINC000007778528 569308922 /nfs/dbraw/zinc/30/89/22/569308922.db2.gz BCZPEEORWDOGGO-UHFFFAOYSA-N 0 0 401.444 2.679 50 0 HFAARN Cc1noc(C)c1CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007782447 569310051 /nfs/dbraw/zinc/31/00/51/569310051.db2.gz DEYLLANBCZCMNC-UHFFFAOYSA-N 0 0 409.533 2.948 50 0 HFAARN O=C(CN(Cc1ccc(F)cc1)C1CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000007789405 569310459 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569366368 /nfs/dbraw/zinc/36/63/68/569366368.db2.gz ZTVGJDZPOWUDFC-OALUTQOASA-N 0 0 402.458 2.946 50 0 HFAARN NC(=O)C[C@@H](c1ccnc2ccccc21)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000253413053 569366663 /nfs/dbraw/zinc/36/66/63/569366663.db2.gz SWQMJXOAWWDHTN-SFHVURJKSA-N 0 0 407.470 2.887 50 0 biogenic HFAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CN1C(=O)CC2(CCCC2)C1=O ZINC000253412834 569366690 /nfs/dbraw/zinc/36/66/90/569366690.db2.gz SEURUGCQGYHUDW-SFHVURJKSA-N 0 0 409.486 2.989 50 0 biogenic HFAARN NC(=O)C[C@H](c1ccnc2ccccc21)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000253413052 569366699 /nfs/dbraw/zinc/36/66/99/569366699.db2.gz SWQMJXOAWWDHTN-GOSISDBHSA-N 0 0 407.470 2.887 50 0 biogenic HFAARN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)o1 ZINC000253429015 569368645 /nfs/dbraw/zinc/36/86/45/569368645.db2.gz MFKJBHDOMSMGDC-CQSZACIVSA-N 0 0 421.924 2.565 50 0 HFAARN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)N[C@H]1CCS(=O)(=O)C1 ZINC000054953588 569369022 /nfs/dbraw/zinc/36/90/22/569369022.db2.gz 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NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)cc2)sc2c1CCC2 ZINC000009586366 571271421 /nfs/dbraw/zinc/27/14/21/571271421.db2.gz CYUBTIQAABORJK-UHFFFAOYSA-N 0 0 423.288 2.894 50 0 HFAARN COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3n[nH]nc32)cc1 ZINC000070655786 571271724 /nfs/dbraw/zinc/27/17/24/571271724.db2.gz VADCOURCMYKIQV-UHFFFAOYSA-N 0 0 420.452 2.966 50 0 HFAARN C[C@@H](OC(=O)c1cc(Br)ccc1O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009591832 571271867 /nfs/dbraw/zinc/27/18/67/571271867.db2.gz CCKYLPLVLHVOPW-SNVBAGLBSA-N 0 0 422.231 2.745 50 0 HFAARN COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c(OC)c1 ZINC000009599797 571272733 /nfs/dbraw/zinc/27/27/33/571272733.db2.gz ZSBRSUXZKLWYPQ-UHFFFAOYSA-N 0 0 422.470 2.934 50 0 HFAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc2c(c1)CCCC2 ZINC000009604394 571273200 /nfs/dbraw/zinc/27/32/00/571273200.db2.gz YFGWEIBCXXXCMK-CYBMUJFWSA-N 0 0 406.529 2.901 50 0 HFAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc2c(c1)CCCC2 ZINC000009604391 571273204 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CCCNC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000009742344 571283567 /nfs/dbraw/zinc/28/35/67/571283567.db2.gz PBOSDMKXVOHKMY-ZDUSSCGKSA-N 0 0 423.922 2.785 50 0 HFAARN CCCCc1ccc(NCCn2c(C)c(C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009763922 571284799 /nfs/dbraw/zinc/28/47/99/571284799.db2.gz AMJBOEWVPIWTDX-UHFFFAOYSA-N 0 0 422.533 2.758 50 0 HFAARN Cn1cc(C(=O)Nc2cc(F)ccc2F)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 ZINC000009821391 571286274 /nfs/dbraw/zinc/28/62/74/571286274.db2.gz FFYBSCYTZFZNMR-UHFFFAOYSA-N 0 0 410.380 2.607 50 0 HFAARN Cc1ccc(C(=O)NCCn2ncc3c2ncn(Cc2ccccc2)c3=O)cc1C ZINC000009822166 571286462 /nfs/dbraw/zinc/28/64/62/571286462.db2.gz JKQVUBQPEOJZEO-UHFFFAOYSA-N 0 0 401.470 2.688 50 0 HFAARN CCN1CCOc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2C1=O ZINC000009828097 571286801 /nfs/dbraw/zinc/28/68/01/571286801.db2.gz HAYRHKMVTKOICS-UHFFFAOYSA-N 0 0 400.431 2.819 50 0 HFAARN COc1ccc(NC(=O)CS(=O)(=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 ZINC000009828775 571287113 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COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000009918762 571290211 /nfs/dbraw/zinc/29/02/11/571290211.db2.gz ZLQUBUXDBOYKRG-HNNXBMFYSA-N 0 0 402.516 2.986 50 0 HFAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cccc(C)c3)c2C)c1 ZINC000071327117 571291968 /nfs/dbraw/zinc/29/19/68/571291968.db2.gz KOFHFSZTXFQJOD-UHFFFAOYSA-N 0 0 409.446 2.803 50 0 HFAARN Cc1c(C(=O)Nc2cc(C)ccc2C)nnn1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000071327459 571292271 /nfs/dbraw/zinc/29/22/71/571292271.db2.gz BRVMFOCGVCDDSS-UHFFFAOYSA-N 0 0 421.457 2.501 50 0 HFAARN CC(C)c1nnc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)N2CCSCC2)s1 ZINC000071328939 571292751 /nfs/dbraw/zinc/29/27/51/571292751.db2.gz LRFBNGXNEKTNBD-OAHLLOKOSA-N 0 0 419.576 2.970 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000010095811 571294839 /nfs/dbraw/zinc/29/48/39/571294839.db2.gz QUSFUQJLOREZAB-UHFFFAOYSA-N 0 0 415.874 2.621 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n1[C@@H](C)c1ccccc1 ZINC000010103882 571294924 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409.431 2.609 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(F)cc2F)s1 ZINC000071800756 571301505 /nfs/dbraw/zinc/30/15/05/571301505.db2.gz WRMONPFZMBKDBO-HNNXBMFYSA-N 0 0 400.472 2.804 50 0 HFAARN C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010400565 571301936 /nfs/dbraw/zinc/30/19/36/571301936.db2.gz CGRQENXZSAEEHY-LLVKDONJSA-N 0 0 402.394 2.917 50 0 HFAARN Cn1ccnc1[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000010393171 571301982 /nfs/dbraw/zinc/30/19/82/571301982.db2.gz ZISQEKIMUXILEF-QGZVFWFLSA-N 0 0 418.906 2.964 50 0 HFAARN CCN(Cc1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431669 571302593 /nfs/dbraw/zinc/30/25/93/571302593.db2.gz QLQPKDQORZEFBQ-UHFFFAOYSA-N 0 0 414.893 2.856 50 0 HFAARN O=C(Oc1cccc2n[nH]cc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000071843995 571303051 /nfs/dbraw/zinc/30/30/51/571303051.db2.gz DDCQZNSLONIPTP-ZDUSSCGKSA-N 0 0 403.435 2.708 50 0 HFAARN O=C(COc1c(F)c(F)cc(F)c1F)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 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O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cccc(F)c1 ZINC000005144811 132303180 /nfs/dbraw/zinc/30/31/80/132303180.db2.gz LXTFECQJEGHJPH-UHFFFAOYSA-N 0 0 414.462 2.920 50 0 HFAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1nc[nH]n1 ZINC000005448675 132305823 /nfs/dbraw/zinc/30/58/23/132305823.db2.gz CTFXORHFNIBJEZ-UHFFFAOYSA-N 0 0 410.865 2.673 50 0 HFAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000005688073 132307426 /nfs/dbraw/zinc/30/74/26/132307426.db2.gz VQDONGKIPIWTKF-INIZCTEOSA-N 0 0 417.531 2.861 50 0 HFAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(N4CCCCC4)cc3)nc2n1 ZINC000006057339 132309038 /nfs/dbraw/zinc/30/90/38/132309038.db2.gz USCSBUHKTGQFGJ-UHFFFAOYSA-N 0 0 408.462 2.527 50 0 HFAARN Cc1nc2ncnn2c(N2CCN(C(=O)c3ccccc3)CC2)c1Cc1ccccc1 ZINC000006232728 132309678 /nfs/dbraw/zinc/30/96/78/132309678.db2.gz FWALMQLCDCCWKE-UHFFFAOYSA-N 0 0 412.497 2.986 50 0 HFAARN COc1ccccc1N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1 ZINC000006802862 132317650 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CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)cc1 ZINC000009089846 132335636 /nfs/dbraw/zinc/33/56/36/132335636.db2.gz MTDWABYUWVMVBB-UHFFFAOYSA-N 0 0 405.506 2.918 50 0 HFAARN O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009255465 132337702 /nfs/dbraw/zinc/33/77/02/132337702.db2.gz JCDKAELUORMWLO-UHFFFAOYSA-N 0 0 407.398 2.804 50 0 HFAARN O=C1CCCc2nc(N3CCN(c4ncccn4)CC3)nc(Nc3ccccc3)c21 ZINC000009303638 132338349 /nfs/dbraw/zinc/33/83/49/132338349.db2.gz PJGDYQPEUIABCE-UHFFFAOYSA-N 0 0 401.474 2.856 50 0 HFAARN O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)N1CCCc2ccccc21 ZINC000009857622 132343670 /nfs/dbraw/zinc/34/36/70/132343670.db2.gz PGPRYFDEQGTTLT-UHFFFAOYSA-N 0 0 420.860 2.610 50 0 HFAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCCn1ccnc1 ZINC000010006604 132344626 /nfs/dbraw/zinc/34/46/26/132344626.db2.gz KDWJFHIHRIWMJA-UHFFFAOYSA-N 0 0 424.526 2.828 50 0 HFAARN O=C(NCCc1cccs1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000010092554 132345062 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CC(=O)Nc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccs3)C2)cc1 ZINC000032608344 519714401 /nfs/dbraw/zinc/71/44/01/519714401.db2.gz NYADGXTXHDCXGW-LJQANCHMSA-N 0 0 412.515 2.716 50 0 HFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCC(=O)c1cccs1 ZINC000040160519 520361931 /nfs/dbraw/zinc/36/19/31/520361931.db2.gz HPDCLHOOYRMKRA-UHFFFAOYSA-N 0 0 402.472 2.969 50 0 HFAARN CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000032899393 520400104 /nfs/dbraw/zinc/40/01/04/520400104.db2.gz HURJPCDOBSUGRZ-ODLFYWEKSA-N 0 0 403.504 2.514 50 0 HFAARN CCN(CC)C(=O)N1CCC(C(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000032913106 520504052 /nfs/dbraw/zinc/50/40/52/520504052.db2.gz HGOIGUCZBGNUQS-UHFFFAOYSA-N 0 0 407.511 2.502 50 0 HFAARN CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1C ZINC000032541802 520511232 /nfs/dbraw/zinc/51/12/32/520511232.db2.gz FZJOWZQIOQCURN-RHSMWYFYSA-N 0 0 415.490 2.503 50 0 HFAARN CCN(CC)c1nc2ncn(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)c2s1 ZINC000045970262 520931643 /nfs/dbraw/zinc/93/16/43/520931643.db2.gz SITXXJSHPUPFHW-UHFFFAOYSA-N 0 0 421.910 3.000 50 0 HFAARN CCCCc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1 ZINC000032794926 521276419 /nfs/dbraw/zinc/27/64/19/521276419.db2.gz SNHNWQLBNQVRRY-IBGZPJMESA-N 0 0 407.518 2.521 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2)o1 ZINC000032914037 521526744 /nfs/dbraw/zinc/52/67/44/521526744.db2.gz VJYFDLWVZJMQLB-HNNXBMFYSA-N 0 0 406.460 2.557 50 0 HFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1cc(OC)cc(OC)c1 ZINC000040309728 521539704 /nfs/dbraw/zinc/53/97/04/521539704.db2.gz MRIWPSPHWQVGEC-JOCHJYFZSA-N 0 0 409.442 2.641 50 0 biogenic HFAARN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(CC)Cc3ccc(Cl)s3)cnc21 ZINC000032908333 521615011 /nfs/dbraw/zinc/61/50/11/521615011.db2.gz PRXPZAVWMZAUQV-UHFFFAOYSA-N 0 0 406.895 2.872 50 0 HFAARN CCN1CCN(C(=O)COc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)CC1 ZINC000032579119 521663417 /nfs/dbraw/zinc/66/34/17/521663417.db2.gz UPSUFSZBEMFBHW-UHFFFAOYSA-N 0 0 422.485 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/nfs/dbraw/zinc/25/39/46/522253946.db2.gz UPFZWPZCGMLJKU-AWEZNQCLSA-N 0 0 406.438 2.746 50 0 HFAARN COC(=O)c1occc1COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000032848730 522416097 /nfs/dbraw/zinc/41/60/97/522416097.db2.gz DOZIRFIJTUCJST-AWEZNQCLSA-N 0 0 421.471 2.986 50 0 HFAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1=O ZINC000044840795 522450387 /nfs/dbraw/zinc/45/03/87/522450387.db2.gz VRGVFPGVYGXLJI-CQSZACIVSA-N 0 0 408.458 2.731 50 0 HFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCO[C@H](c3ccccc3)C2)n1 ZINC000044900453 522599000 /nfs/dbraw/zinc/59/90/00/522599000.db2.gz CNUVSFRMYSPVTK-NRFANRHFSA-N 0 0 423.444 2.658 50 0 HFAARN CNc1nc(NC(C)C)nc(-n2cnc(SCCOc3ccccc3C)n2)n1 ZINC000025496388 522685773 /nfs/dbraw/zinc/68/57/73/522685773.db2.gz WICSDEIKNICWSJ-UHFFFAOYSA-N 0 0 400.512 2.794 50 0 HFAARN COCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NC(C)C)cc2)n1 ZINC000006775261 522929174 /nfs/dbraw/zinc/92/91/74/522929174.db2.gz IDKGKWUJNRDLON-UHFFFAOYSA-N 0 0 416.547 2.890 50 0 HFAARN COc1cc2ncn(CCCC(=O)N[C@@H]3CCOc4ccccc43)c(=O)c2cc1OC ZINC000032845805 523069810 /nfs/dbraw/zinc/06/98/10/523069810.db2.gz BOAOAYYAQXWENJ-QGZVFWFLSA-N 0 0 423.469 2.834 50 0 HFAARN CN(Cc1ccc(Br)cc1)Cn1nc(C2CC2)n(CC(N)=O)c1=S ZINC000032916195 523200288 /nfs/dbraw/zinc/20/02/88/523200288.db2.gz TUITTWNWADQZMY-UHFFFAOYSA-N 0 0 410.341 2.629 50 0 HFAARN CCn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)nc2ncccc2c1=O ZINC000032876508 523223549 /nfs/dbraw/zinc/22/35/49/523223549.db2.gz XSDACDWTUYEMEY-LBPRGKRZSA-N 0 0 412.471 2.510 50 0 HFAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)o2)cc1 ZINC000032745345 523267626 /nfs/dbraw/zinc/26/76/26/523267626.db2.gz DYZYZNZKQGCHSU-LLVKDONJSA-N 0 0 407.382 2.889 50 0 HFAARN COCCN(C)C(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 ZINC000072454080 523572525 /nfs/dbraw/zinc/57/25/25/523572525.db2.gz WXLQQLJRTCFNMJ-UHFFFAOYSA-N 0 0 414.893 2.945 50 0 HFAARN COc1ccc(C2=NN(C(=O)COC(=O)c3c(C)noc3N)[C@@H](c3ccco3)C2)cc1 ZINC000032824150 523876759 /nfs/dbraw/zinc/87/67/59/523876759.db2.gz OLSBUHJIBWCVOJ-MRXNPFEDSA-N 0 0 424.413 2.702 50 0 HFAARN CCc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000032795217 523891339 /nfs/dbraw/zinc/89/13/39/523891339.db2.gz AOVQDLBKXVYZAT-UHFFFAOYSA-N 0 0 402.516 2.508 50 0 HFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1 ZINC000040309348 523893565 /nfs/dbraw/zinc/89/35/65/523893565.db2.gz UGFQWXLMBJOLCZ-PKOBYXMFSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN COCCNC(=O)c1nn(-c2ccccc2F)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032074368 523930139 /nfs/dbraw/zinc/93/01/39/523930139.db2.gz GCFJUIMWULNVDA-UHFFFAOYSA-N 0 0 411.433 2.976 50 0 HFAARN COCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032105135 523930204 /nfs/dbraw/zinc/93/02/04/523930204.db2.gz ZTEJEUCQTMPVLL-UHFFFAOYSA-N 0 0 411.433 2.976 50 0 HFAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000032882085 523939284 /nfs/dbraw/zinc/93/92/84/523939284.db2.gz XJXYQIPLSMRSSZ-FQEVSTJZSA-N 0 0 402.878 2.777 50 0 HFAARN COc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1OC ZINC000032815903 523967454 /nfs/dbraw/zinc/96/74/54/523967454.db2.gz KXRHYEJYBNXGME-FQEVSTJZSA-N 0 0 410.514 2.844 50 0 HFAARN COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000077184844 524158199 /nfs/dbraw/zinc/15/81/99/524158199.db2.gz WNCQVTZBZDZXRE-KRWDZBQOSA-N 0 0 403.422 2.986 50 0 HFAARN C[C@H]1CCO[C@@]2(O1)c1ccccc1N(CN1CCN(c3ccc(F)cc3)CC1)C2=O ZINC000020567669 524321126 /nfs/dbraw/zinc/32/11/26/524321126.db2.gz NIGQWZALBHIYLH-GAJHUEQPSA-N 0 0 411.477 2.930 50 0 HFAARN Cc1ccc(CCNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000020574391 524326224 /nfs/dbraw/zinc/32/62/24/524326224.db2.gz HAPZJHLDUZAYOV-UHFFFAOYSA-N 0 0 406.417 2.858 50 0 HFAARN COc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(C(=O)OC(C)C)c2)cc1 ZINC000000938849 524503686 /nfs/dbraw/zinc/50/36/86/524503686.db2.gz ZXGUHNKPWSOKBX-UHFFFAOYSA-N 0 0 405.472 2.814 50 0 HFAARN COc1ccccc1N1CCN(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000043830028 524549768 /nfs/dbraw/zinc/54/97/68/524549768.db2.gz DEHQWULIXDLNCK-UHFFFAOYSA-N 0 0 403.504 2.761 50 0 HFAARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3n[nH]c(Cc4ccc(F)cc4)n3)C2)n1 ZINC000079483696 524579868 /nfs/dbraw/zinc/57/98/68/524579868.db2.gz WVGNPZSMLNNYFI-MRXNPFEDSA-N 0 0 409.469 2.797 50 0 HFAARN COc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)c1 ZINC000020578011 524836490 /nfs/dbraw/zinc/83/64/90/524836490.db2.gz KZYAJAAIZCIELZ-UHFFFAOYSA-N 0 0 402.472 2.928 50 0 HFAARN Cc1cccc([C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)c2ccccc2)c1 ZINC000072442049 524839207 /nfs/dbraw/zinc/83/92/07/524839207.db2.gz CHPVSHKIHVAWGP-SFTDATJTSA-N 0 0 415.559 2.719 50 0 HFAARN COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(C)=O)c1 ZINC000043741455 524842772 /nfs/dbraw/zinc/84/27/72/524842772.db2.gz MYAGCLQIUTYAEN-MBDNFAEBSA-N 0 0 418.449 2.808 50 0 biogenic HFAARN Cc1ccccc1-n1nnnc1SCCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000032870728 525038642 /nfs/dbraw/zinc/03/86/42/525038642.db2.gz 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558711833 /nfs/dbraw/zinc/71/18/33/558711833.db2.gz LWWDLDXUHRYWFA-UHFFFAOYSA-N 0 0 420.498 2.946 50 0 HFAARN CN(Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)Cc1cccc2cnccc21 ZINC000015070790 558712599 /nfs/dbraw/zinc/71/25/99/558712599.db2.gz QEEIEVFSVKOMGW-IBGZPJMESA-N 0 0 414.531 2.646 50 0 HFAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)c1 ZINC000015071642 558713333 /nfs/dbraw/zinc/71/33/33/558713333.db2.gz QHNKYEACLXQYLU-ZDUSSCGKSA-N 0 0 402.476 2.632 50 0 HFAARN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000015073058 558714037 /nfs/dbraw/zinc/71/40/37/558714037.db2.gz BNYYTKANVICBDJ-HNNXBMFYSA-N 0 0 417.893 2.791 50 0 HFAARN CCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000029654297 558718400 /nfs/dbraw/zinc/71/84/00/558718400.db2.gz LJQTXDDBPPJXNV-UHFFFAOYSA-N 0 0 422.481 2.925 50 0 HFAARN COc1cccc([C@@H](NC(=O)NCCc2ccc3c(c2)OCCO3)c2nccn2C)c1 ZINC000029727842 558719467 /nfs/dbraw/zinc/71/94/67/558719467.db2.gz GTGYWQXOSSUXRU-OAQYLSRUSA-N 0 0 422.485 2.831 50 0 HFAARN CCOc1ccc(NC(=O)c2cncn2-c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000015095119 558722120 /nfs/dbraw/zinc/72/21/20/558722120.db2.gz KSJZPHRGYAHLFA-UHFFFAOYSA-N 0 0 414.487 2.774 50 0 HFAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000029882091 558723206 /nfs/dbraw/zinc/72/32/06/558723206.db2.gz HMJIUCAZKORAPD-HXUWFJFHSA-N 0 0 411.527 2.638 50 0 HFAARN CN(Cc1nc2ccccc2s1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000015284775 558730555 /nfs/dbraw/zinc/73/05/55/558730555.db2.gz NDQDSIYLWZMZRF-UHFFFAOYSA-N 0 0 400.485 2.738 50 0 HFAARN CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000030549307 558732621 /nfs/dbraw/zinc/73/26/21/558732621.db2.gz VIIUOQFVJOTXQC-SFHVURJKSA-N 0 0 423.513 2.796 50 0 HFAARN COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3Cl)cc2N)cc1 ZINC000004562876 558732847 /nfs/dbraw/zinc/73/28/47/558732847.db2.gz YEJBVBDXVDCVCE-UHFFFAOYSA-N 0 0 407.835 2.584 50 0 HFAARN CC(C)(C)c1nc2cc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)ccc2[nH]1 ZINC000030607604 558733975 /nfs/dbraw/zinc/73/39/75/558733975.db2.gz QEHOFQXTFDTUMP-GOSISDBHSA-N 0 0 404.474 2.919 50 0 HFAARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(N)=O)c1C ZINC000004570353 558735269 /nfs/dbraw/zinc/73/52/69/558735269.db2.gz YLLNAWCPEOZXHG-UHFFFAOYSA-N 0 0 407.517 2.501 50 0 HFAARN C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015368819 558736222 /nfs/dbraw/zinc/73/62/22/558736222.db2.gz HFVNMQWYMOWPDN-DGCLKSJQSA-N 0 0 412.305 2.673 50 0 HFAARN CNC(=O)c1c(C)c(C)sc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000004570459 558742671 /nfs/dbraw/zinc/74/26/71/558742671.db2.gz JZNIBJSCKKGEJM-UHFFFAOYSA-N 0 0 400.909 2.790 50 0 HFAARN CN(Cc1nc2ccccc2s1)Cn1nc([C@H]2CCS(=O)(=O)C2)oc1=S ZINC000015553995 558743564 /nfs/dbraw/zinc/74/35/64/558743564.db2.gz HIJQSXTYKKPGID-NSHDSACASA-N 0 0 410.546 2.807 50 0 HFAARN Cc1ccc([C@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C2CC2)cc1 ZINC000072294613 558744005 /nfs/dbraw/zinc/74/40/05/558744005.db2.gz YVPLYZMGLNCDFG-FQEVSTJZSA-N 0 0 401.507 2.642 50 0 HFAARN COc1cccc(-c2nc3n(n2)[C@@H](c2ccc(OC)c(OC)c2)C(C(N)=O)=C(C)N3)c1 ZINC000004574539 558747354 /nfs/dbraw/zinc/74/73/54/558747354.db2.gz DLWTUUCSSZYERU-IBGZPJMESA-N 0 0 421.457 2.745 50 0 HFAARN C[C@H](OC(=O)c1cccnc1S[C@@H](C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C ZINC000015654943 558747591 /nfs/dbraw/zinc/74/75/91/558747591.db2.gz LKNDTMKDLBHXCF-STQMWFEESA-N 0 0 409.552 2.937 50 0 HFAARN O=C(NCCc1ccccc1)c1c(-c2ccc(Cl)cc2)nc2n1CCS2(=O)=O ZINC000015671436 558748600 /nfs/dbraw/zinc/74/86/00/558748600.db2.gz LOFVTGCDAIYJNY-UHFFFAOYSA-N 0 0 415.902 2.963 50 0 HFAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC[C@H](O)C(C)C)c2)cc1 ZINC000072295767 558748733 /nfs/dbraw/zinc/74/87/33/558748733.db2.gz WKSKXJFJSPGUFI-FQEVSTJZSA-N 0 0 420.531 2.657 50 0 HFAARN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000072296880 558749774 /nfs/dbraw/zinc/74/97/74/558749774.db2.gz KLVTYKAAOHEMGM-ZMSDIMECSA-N 0 0 419.497 2.988 50 0 HFAARN CN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C1CCS(=O)CC1 ZINC000072297889 558750398 /nfs/dbraw/zinc/75/03/98/558750398.db2.gz ADWSSBHCZUQTPB-UHFFFAOYSA-N 0 0 424.519 2.610 50 0 HFAARN Cc1ccc(CNC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1 ZINC000015725781 558750542 /nfs/dbraw/zinc/75/05/42/558750542.db2.gz IHOWLZJMGSDSFB-UHFFFAOYSA-N 0 0 421.950 2.717 50 0 HFAARN Cc1cccc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)c1 ZINC000015725713 558750558 /nfs/dbraw/zinc/75/05/58/558750558.db2.gz QYMJLVFBFUZWJV-UHFFFAOYSA-N 0 0 411.886 2.789 50 0 HFAARN CSc1nc2nc(C)c(CC(=O)NCc3ccc(OC(F)F)cc3)c(C)n2n1 ZINC000015812370 558754226 /nfs/dbraw/zinc/75/42/26/558754226.db2.gz PXEMEZQNBXIYFC-UHFFFAOYSA-N 0 0 407.446 2.923 50 0 HFAARN COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000015922691 558762113 /nfs/dbraw/zinc/76/21/13/558762113.db2.gz XAJVNDCFBMPORC-UHFFFAOYSA-N 0 0 422.528 2.883 50 0 HFAARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3nc(-c4ccc(F)cc4)c[nH]3)c(C)c12 ZINC000072307130 558766637 /nfs/dbraw/zinc/76/66/37/558766637.db2.gz DJXKMEWTEIYNFD-UHFFFAOYSA-N 0 0 422.464 2.657 50 0 HFAARN COc1cccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4ccccc43)n2)c1 ZINC000071287928 558768676 /nfs/dbraw/zinc/76/86/76/558768676.db2.gz SPUQQCDYMHAFAX-UHFFFAOYSA-N 0 0 402.454 2.690 50 0 HFAARN CCc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1=O ZINC000016046656 558770552 /nfs/dbraw/zinc/77/05/52/558770552.db2.gz RIPJMJPPJOYDPE-IBGZPJMESA-N 0 0 420.513 2.978 50 0 HFAARN O=C(CN(c1ccccc1)C1Cc2ccccc2C1)N1CCN(C(=O)C2CC2)CC1 ZINC000072309007 558771883 /nfs/dbraw/zinc/77/18/83/558771883.db2.gz LYHDOBMRNSVHCE-UHFFFAOYSA-N 0 0 403.526 2.741 50 0 HFAARN O=C(NCCO)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 ZINC000016115756 558772694 /nfs/dbraw/zinc/77/26/94/558772694.db2.gz WIBNJHBDKKVZMU-LFIBNONCSA-N 0 0 423.694 2.982 50 0 HFAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1 ZINC000016145834 558773659 /nfs/dbraw/zinc/77/36/59/558773659.db2.gz PUMSXZJFMDQTHY-UHFFFAOYSA-N 0 0 416.481 2.834 50 0 HFAARN CS(=O)(=O)N(Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1)c1ccccc1 ZINC000001204912 558776029 /nfs/dbraw/zinc/77/60/29/558776029.db2.gz USTLVBOTJNQINT-PMACEKPBSA-N 0 0 402.516 2.686 50 0 HFAARN CC(C)[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000046247026 558776584 /nfs/dbraw/zinc/77/65/84/558776584.db2.gz UJDPOJBZGWNGFV-BXUZGUMPSA-N 0 0 407.410 2.646 50 0 HFAARN CN1CCN(C(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)CC1 ZINC000016189077 558777010 /nfs/dbraw/zinc/77/70/10/558777010.db2.gz DHSDIJRENXAAJY-UHFFFAOYSA-N 0 0 413.421 2.848 50 0 HFAARN O=C(Nc1cccc(C(=O)OCCN2CCN(c3ccccc3)CC2)c1)[C@H]1CCCO1 ZINC000072310739 558777830 /nfs/dbraw/zinc/77/78/30/558777830.db2.gz PDIGUQPSSLSOPR-JOCHJYFZSA-N 0 0 423.513 2.783 50 0 HFAARN CS(=O)(=O)NCCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000016204985 558778307 /nfs/dbraw/zinc/77/83/07/558778307.db2.gz XXWHCAMIJIIFMB-UHFFFAOYSA-N 0 0 400.422 2.727 50 0 HFAARN COc1ccc(Br)cc1/C=c1\sc2nc(-c3cccnc3)nn2c1=O ZINC000016265813 558781936 /nfs/dbraw/zinc/78/19/36/558781936.db2.gz XTNFTTSUOJBYGA-ZSOIEALJSA-N 0 0 415.272 2.532 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000004586288 558782912 /nfs/dbraw/zinc/78/29/12/558782912.db2.gz CSFTXRJSGULIKP-UHFFFAOYSA-N 0 0 406.529 2.710 50 0 HFAARN Cc1cc(C)c(NC(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)c1 ZINC000034857659 558785302 /nfs/dbraw/zinc/78/53/02/558785302.db2.gz IZIIHWFTPVTRRD-OAQYLSRUSA-N 0 0 423.513 2.535 50 0 HFAARN COc1ccc2c(CC(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)coc2c1 ZINC000034895950 558787077 /nfs/dbraw/zinc/78/70/77/558787077.db2.gz NGDVBZMGNZHISM-UHFFFAOYSA-N 0 0 413.518 2.531 50 0 HFAARN COCCN(CC(=O)Nc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000034898199 558787397 /nfs/dbraw/zinc/78/73/97/558787397.db2.gz HKXABORKLDJFIN-UHFFFAOYSA-N 0 0 400.866 2.664 50 0 HFAARN Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(CCc2ccccc2)CC1 ZINC000035085432 558788269 /nfs/dbraw/zinc/78/82/69/558788269.db2.gz ZPFBYGRJPVUUAO-UHFFFAOYSA-N 0 0 402.545 2.549 50 0 HFAARN CCOc1ccc(C(=O)N2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)cc1 ZINC000035405914 558790940 /nfs/dbraw/zinc/79/09/40/558790940.db2.gz IYRHHOMFOXTYEL-UHFFFAOYSA-N 0 0 418.497 2.947 50 0 HFAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000016452394 558792631 /nfs/dbraw/zinc/79/26/31/558792631.db2.gz LQZITFKKQHHSKH-WMLDXEAASA-N 0 0 406.504 2.795 50 0 HFAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)cc1 ZINC000036043555 558796923 /nfs/dbraw/zinc/79/69/23/558796923.db2.gz XKGRREQRNULVOT-WOJBJXKFSA-N 0 0 424.497 2.732 50 0 HFAARN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 ZINC000016625970 558797089 /nfs/dbraw/zinc/79/70/89/558797089.db2.gz CDZIQZNSYWJSTC-HNNXBMFYSA-N 0 0 420.556 2.920 50 0 HFAARN CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)[C@@H](C)CC ZINC000036062683 558797310 /nfs/dbraw/zinc/79/73/10/558797310.db2.gz FKBRAVATVIXWNP-SFHVURJKSA-N 0 0 409.534 2.829 50 0 HFAARN CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCC1 ZINC000016649127 558797755 /nfs/dbraw/zinc/79/77/55/558797755.db2.gz IKZJMOBXWJUSMC-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/84/73/43/558847343.db2.gz UTIWMZOSUBMLTK-ACRUOGEOSA-N 0 0 407.470 2.630 50 0 HFAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3n2)cc1 ZINC000019212159 558848796 /nfs/dbraw/zinc/84/87/96/558848796.db2.gz VPLICYDOWPLIOQ-UHFFFAOYSA-N 0 0 415.444 2.704 50 0 HFAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)cc(OC)c3)n2)c(F)c1 ZINC000049550826 558850221 /nfs/dbraw/zinc/85/02/21/558850221.db2.gz FBJPITHLHJFROE-UHFFFAOYSA-N 0 0 413.405 2.714 50 0 HFAARN COCc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccccc3OC)c2)s1 ZINC000033027560 558850683 /nfs/dbraw/zinc/85/06/83/558850683.db2.gz KUFQKLOUCFKJAH-UHFFFAOYSA-N 0 0 412.471 2.875 50 0 HFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000046343574 558858093 /nfs/dbraw/zinc/85/80/93/558858093.db2.gz OCALPVPVPNRYRU-LJQANCHMSA-N 0 0 415.486 2.713 50 0 HFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3c(F)cccc3Cl)C2=O)o1 ZINC000060346173 558858443 /nfs/dbraw/zinc/85/84/43/558858443.db2.gz ZIGJPIXOFCJAOK-LJQANCHMSA-N 0 0 407.829 2.806 50 0 HFAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCC4(CC3)OCCO4)c2)C1 ZINC000033035865 558859843 /nfs/dbraw/zinc/85/98/43/558859843.db2.gz FIVHBNHHTJCEAL-LJQANCHMSA-N 0 0 401.507 2.575 50 0 HFAARN CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000004616424 558860252 /nfs/dbraw/zinc/86/02/52/558860252.db2.gz SCOSBVQZEXUHMC-UHFFFAOYSA-N 0 0 403.342 2.909 50 0 HFAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc(-c2cccnc2)cs1 ZINC000072324980 558862035 /nfs/dbraw/zinc/86/20/35/558862035.db2.gz ARPOIBVDIYNDPF-DZKIICNBSA-N 0 0 403.533 2.869 50 0 biogenic HFAARN COc1ccc2c(ccn2CCNC(=O)CCCn2cnc3ccccc3c2=O)c1 ZINC000072325862 558862470 /nfs/dbraw/zinc/86/24/70/558862470.db2.gz KMJDNJNFKBSYGM-UHFFFAOYSA-N 0 0 404.470 2.956 50 0 biogenic HFAARN Cc1nc(-c2cccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)c2)no1 ZINC000033077022 558868430 /nfs/dbraw/zinc/86/84/30/558868430.db2.gz YUBUGJLQRUOYIB-UHFFFAOYSA-N 0 0 420.878 2.958 50 0 HFAARN CC(=O)N1c2ccc(S(=O)(=O)NCCc3ccc(N(C)C)cc3)cc2C[C@@H]1C ZINC000060357880 558869201 /nfs/dbraw/zinc/86/92/01/558869201.db2.gz SMIRDCQBXJRGGL-HNNXBMFYSA-N 0 0 401.532 2.571 50 0 HFAARN CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)CC1 ZINC000055042290 558870702 /nfs/dbraw/zinc/87/07/02/558870702.db2.gz HEKRIJMGGPLBEH-KRWDZBQOSA-N 0 0 402.470 2.686 50 0 HFAARN COc1ccc(Cl)c2sc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc21 ZINC000013793122 558874799 /nfs/dbraw/zinc/87/47/99/558874799.db2.gz AUSUOZRGSGVXLJ-JTQLQIEISA-N 0 0 403.913 2.711 50 0 HFAARN COCCNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000033113459 558875266 /nfs/dbraw/zinc/87/52/66/558875266.db2.gz CJUFNWASIGCMNN-GFCCVEGCSA-N 0 0 423.926 2.979 50 0 HFAARN COCCn1c(CN(C)[C@@H](C)c2ccccc2OC)cnc1S(=O)(=O)CC1CC1 ZINC000055182951 558875336 /nfs/dbraw/zinc/87/53/36/558875336.db2.gz IGWCKBYKRHUMQY-INIZCTEOSA-N 0 0 421.563 2.915 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)N(Cc1ccccc1)CC1CCC1 ZINC000055197153 558875589 /nfs/dbraw/zinc/87/55/89/558875589.db2.gz OMZACVMEUNBSAE-JOCHJYFZSA-N 0 0 406.530 2.601 50 0 HFAARN COC[C@@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)CCNC(=O)c1ccccc1F ZINC000055244667 558877352 /nfs/dbraw/zinc/87/73/52/558877352.db2.gz WLQRSQLCRPVPDA-OAHLLOKOSA-N 0 0 416.449 2.738 50 0 HFAARN Cc1cnccc1CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000055310649 558879084 /nfs/dbraw/zinc/87/90/84/558879084.db2.gz TWYRABULLFRPCM-UHFFFAOYSA-N 0 0 409.465 2.769 50 0 HFAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)NC3CCCC3)c1)NC(=O)CCC2=O ZINC000033123024 558879671 /nfs/dbraw/zinc/87/96/71/558879671.db2.gz CYXCZKSULAKOBV-UHFFFAOYSA-N 0 0 416.503 2.760 50 0 HFAARN Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)N3CCCCC3)c1)NC(=O)CCC2=O ZINC000033123148 558879677 /nfs/dbraw/zinc/87/96/77/558879677.db2.gz MBNYWJYTFUFZET-UHFFFAOYSA-N 0 0 416.503 2.714 50 0 HFAARN CC[C@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)NCc1cccc(OC)c1 ZINC000033124696 558880455 /nfs/dbraw/zinc/88/04/55/558880455.db2.gz RTBUCKJBBZKLCB-IBGZPJMESA-N 0 0 411.433 2.854 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(Cc3c(C)cc(C)cc3C)S2(=O)=O)cc1 ZINC000033045384 558882344 /nfs/dbraw/zinc/88/23/44/558882344.db2.gz KPLZXQGMKMRCEC-UHFFFAOYSA-N 0 0 401.532 2.921 50 0 HFAARN Cc1cc(C)c(CN2CCN(CC(=O)Nc3ccc(F)cc3)S2(=O)=O)c(C)c1 ZINC000033045413 558882494 /nfs/dbraw/zinc/88/24/94/558882494.db2.gz SXPBRLJVJNQITG-UHFFFAOYSA-N 0 0 405.495 2.752 50 0 HFAARN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1 ZINC000033124940 558883026 /nfs/dbraw/zinc/88/30/26/558883026.db2.gz OEURSHNATWUEFC-ZDUSSCGKSA-N 0 0 413.405 2.795 50 0 HFAARN COc1ccc(CNC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000033125261 558883257 /nfs/dbraw/zinc/88/32/57/558883257.db2.gz ZJZTUIGPSSPFNY-KRWDZBQOSA-N 0 0 407.470 2.942 50 0 HFAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1 ZINC000033125165 558883271 /nfs/dbraw/zinc/88/32/71/558883271.db2.gz AUWMQPAJPBUYPQ-UHFFFAOYSA-N 0 0 406.442 2.825 50 0 HFAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)cc1 ZINC000013854518 558887132 /nfs/dbraw/zinc/88/71/32/558887132.db2.gz ZOIOTPHJQUMZLK-UHFFFAOYSA-N 0 0 417.893 2.860 50 0 HFAARN Cc1c(-c2ccc(C)cc2)n(-c2ccc(O)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000004626154 558890501 /nfs/dbraw/zinc/89/05/01/558890501.db2.gz UTEDSUKNAHGHIO-UHFFFAOYSA-N 0 0 415.453 2.665 50 0 HFAARN CCS(=O)(=O)N1CCC(C(=O)NCCc2csc(-c3ccccc3)n2)CC1 ZINC000033140267 558892359 /nfs/dbraw/zinc/89/23/59/558892359.db2.gz BASLUTJYVXSQLH-UHFFFAOYSA-N 0 0 407.561 2.531 50 0 HFAARN COc1cccc(N2CCN(C(=O)c3ccc(-n4cnc(NC(C)=O)c4)cc3)CC2)c1 ZINC000033140754 558892929 /nfs/dbraw/zinc/89/29/29/558892929.db2.gz WUZXJEABVXMBSI-UHFFFAOYSA-N 0 0 419.485 2.802 50 0 HFAARN O=C(CSCc1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011155210 558893789 /nfs/dbraw/zinc/89/37/89/558893789.db2.gz PUCUMQOYFHKTCF-UHFFFAOYSA-N 0 0 404.557 2.889 50 0 HFAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000057999833 558893812 /nfs/dbraw/zinc/89/38/12/558893812.db2.gz CMWODCVSWSTAHQ-UHFFFAOYSA-N 0 0 401.335 2.848 50 0 HFAARN CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000004687367 558895982 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/nfs/dbraw/zinc/01/76/14/559017614.db2.gz CLQLDSDQAOWTBK-UHFFFAOYSA-N 0 0 415.881 2.725 50 0 HFAARN O=C(c1c[nH]c2ccccc12)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000023134368 559018038 /nfs/dbraw/zinc/01/80/38/559018038.db2.gz NNDCCUZGHXFHFJ-UHFFFAOYSA-N 0 0 421.892 2.755 50 0 HFAARN CC(C)C[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000023149598 559021959 /nfs/dbraw/zinc/02/19/59/559021959.db2.gz OVLQRVVIWHGSDJ-SLFFLAALSA-N 0 0 421.501 2.631 50 0 HFAARN COC(=O)C1CC[NH+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000023157267 559022236 /nfs/dbraw/zinc/02/22/36/559022236.db2.gz VXLYNYFRSVQFLK-MRXNPFEDSA-N 0 0 416.503 2.788 50 0 HFAARN COC(=O)C1CC[NH+]([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OC)cc2)CC1 ZINC000023157264 559022262 /nfs/dbraw/zinc/02/22/62/559022262.db2.gz VXLYNYFRSVQFLK-INIZCTEOSA-N 0 0 416.503 2.788 50 0 HFAARN Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1 ZINC000004735996 559035358 /nfs/dbraw/zinc/03/53/58/559035358.db2.gz SRTUHPXBFJPTMP-UHFFFAOYSA-N 0 0 407.927 2.801 50 0 HFAARN CCn1c2ccc(C(=O)N(C)C)cc2nc1CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000033275852 559035871 /nfs/dbraw/zinc/03/58/71/559035871.db2.gz MAVRZAQGCGSEMU-UHFFFAOYSA-N 0 0 418.494 2.718 50 0 HFAARN COc1cccc(CNC(=O)CCn2cnc3c(-c4ccc(F)cc4)noc3c2=O)c1 ZINC000033277803 559041294 /nfs/dbraw/zinc/04/12/94/559041294.db2.gz RXUCTCLKCGORMQ-UHFFFAOYSA-N 0 0 422.416 2.906 50 0 HFAARN CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CNC(N)=O ZINC000082166734 559042024 /nfs/dbraw/zinc/04/20/24/559042024.db2.gz YRDJAMHWCOJOPU-HXUWFJFHSA-N 0 0 408.502 2.756 50 0 HFAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2csc(C)n2)cc1 ZINC000033282296 559045062 /nfs/dbraw/zinc/04/50/62/559045062.db2.gz QXPDQKVKMRVWAA-GOSISDBHSA-N 0 0 407.561 2.526 50 0 HFAARN COc1ccc(CC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)o2)cc1 ZINC000033290708 559045522 /nfs/dbraw/zinc/04/55/22/559045522.db2.gz MMQSHGPYOKDJOD-OAHLLOKOSA-N 0 0 422.441 2.789 50 0 HFAARN COc1ccc(-n2ccc(=O)c(-c3nc(-c4cccc(OC)c4OC)no3)n2)cc1 ZINC000033300414 559050149 /nfs/dbraw/zinc/05/01/49/559050149.db2.gz YDRFJBKAOUPEOP-UHFFFAOYSA-N 0 0 406.398 2.975 50 0 HFAARN CCCCCCn1c(SCc2cc(=O)n(C)c(=O)n2C)nc2ccccc2c1=O ZINC000011300834 559050590 /nfs/dbraw/zinc/05/05/90/559050590.db2.gz JMNFLXKZKCFZIO-UHFFFAOYSA-N 0 0 414.531 2.667 50 0 HFAARN Cc1ccc(C)c(N2CCN(c3ncc(S(=O)(=O)c4ccccc4)c(N)n3)CC2)c1 ZINC000033301807 559051093 /nfs/dbraw/zinc/05/10/93/559051093.db2.gz RSYGKSQPAZRKOI-UHFFFAOYSA-N 0 0 423.542 2.835 50 0 HFAARN Cc1noc(/C=C/c2ccc(S(=O)(=O)N3CCOCC3)s2)c1NC(=O)C1CC1 ZINC000033306669 559051717 /nfs/dbraw/zinc/05/17/17/559051717.db2.gz KGQQBASDGZHERL-GQCTYLIASA-N 0 0 423.516 2.584 50 0 HFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2c[nH]nc2-c2cccc(OC)c2)cc1 ZINC000033310142 559053768 /nfs/dbraw/zinc/05/37/68/559053768.db2.gz RWCQDDNABMVNMS-UHFFFAOYSA-N 0 0 414.487 2.912 50 0 HFAARN CC(C)NC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000033310261 559053905 /nfs/dbraw/zinc/05/39/05/559053905.db2.gz YWOJBSCAEZFJPD-INIZCTEOSA-N 0 0 401.511 2.987 50 0 HFAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 ZINC000033317568 559055637 /nfs/dbraw/zinc/05/56/37/559055637.db2.gz ABKZLMAYPBNSOK-SFHVURJKSA-N 0 0 418.497 2.724 50 0 HFAARN Cn1c(CCNC(=O)c2ccccc2F)nc2cc(NC(=O)[C@@H]3CCCO3)ccc21 ZINC000033321020 559058146 /nfs/dbraw/zinc/05/81/46/559058146.db2.gz REJKFJOBRCCDHA-IBGZPJMESA-N 0 0 410.449 2.802 50 0 HFAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000585148153 559059703 /nfs/dbraw/zinc/05/97/03/559059703.db2.gz QGCHIGSQMDCXJT-GFCCVEGCSA-N 0 0 416.480 2.994 50 0 HFAARN COc1cccc(-c2cc(C(=O)NCCn3cc(-c4ccncc4)cn3)n(C)n2)c1 ZINC000585148413 559059813 /nfs/dbraw/zinc/05/98/13/559059813.db2.gz HQWJPVJCYQDZTM-UHFFFAOYSA-N 0 0 402.458 2.784 50 0 HFAARN O=C(c1ccc(Cl)s1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148549 559059871 /nfs/dbraw/zinc/05/98/71/559059871.db2.gz ZFLHFAGHGSKWIA-UHFFFAOYSA-N 0 0 409.817 2.833 50 0 HFAARN O=C(c1cccnc1Cl)N1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000033327600 559060484 /nfs/dbraw/zinc/06/04/84/559060484.db2.gz UQYGCBNCDKTLAV-UHFFFAOYSA-N 0 0 401.829 2.882 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3C[C@@H](C)O[C@@H](C)C3)[C@H]2C(C)C)cc1 ZINC000004778709 559061347 /nfs/dbraw/zinc/06/13/47/559061347.db2.gz JZMSEWDGAPKZPF-ZIFCJYIRSA-N 0 0 409.552 2.513 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000011362953 559061674 /nfs/dbraw/zinc/06/16/74/559061674.db2.gz HXXXPZBSQXVIGU-UHFFFAOYSA-N 0 0 412.471 2.682 50 0 HFAARN CCn1c(SCC(=O)OCC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 ZINC000004788352 559064130 /nfs/dbraw/zinc/06/41/30/559064130.db2.gz RAOVZMQEGIREIB-UHFFFAOYSA-N 0 0 416.459 2.841 50 0 HFAARN O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000091518708 559071989 /nfs/dbraw/zinc/07/19/89/559071989.db2.gz BPFGHKQXMIYNMO-MRXNPFEDSA-N 0 0 401.470 2.754 50 0 HFAARN CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c(=O)[nH]1 ZINC000091563079 559072187 /nfs/dbraw/zinc/07/21/87/559072187.db2.gz 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CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC3CCC3)cc2Cl)CC1 ZINC000095511299 559084019 /nfs/dbraw/zinc/08/40/19/559084019.db2.gz FITRSGDKFCAUAF-UHFFFAOYSA-N 0 0 400.928 2.673 50 0 HFAARN O=C(c1ccccc1OC1CCN(C(=O)N2CCOCC2)CC1)N1CCCCC1 ZINC000095527090 559086087 /nfs/dbraw/zinc/08/60/87/559086087.db2.gz CGTLIASHCXYXBN-UHFFFAOYSA-N 0 0 401.507 2.608 50 0 HFAARN CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccc(OC)cc3)C(C)=O)C2=O)cc1 ZINC000095528619 559086460 /nfs/dbraw/zinc/08/64/60/559086460.db2.gz OPOMVEPBHIDTRY-OAQYLSRUSA-N 0 0 410.470 2.817 50 0 HFAARN Cc1nnsc1C(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000095530656 559086911 /nfs/dbraw/zinc/08/69/11/559086911.db2.gz PUKLTRCGDONMKO-MRXNPFEDSA-N 0 0 401.536 2.575 50 0 HFAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CC(=O)Nc2ccc(F)cc2)n1C ZINC000004816149 559088151 /nfs/dbraw/zinc/08/81/51/559088151.db2.gz UFJWWQREHMFCDV-BBRMVZONSA-N 0 0 419.526 2.922 50 0 HFAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C ZINC000004816079 559088208 /nfs/dbraw/zinc/08/82/08/559088208.db2.gz LIVBYJBJFKJELV-ZFWWWQNUSA-N 0 0 419.526 2.922 50 0 HFAARN COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000004816064 559088435 /nfs/dbraw/zinc/08/84/35/559088435.db2.gz QUJNHOZJZCKGQA-UHFFFAOYSA-N 0 0 411.487 2.736 50 0 HFAARN CCCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2C)s1 ZINC000004816275 559088453 /nfs/dbraw/zinc/08/84/53/559088453.db2.gz ISNSYKVNMWUTJC-UHFFFAOYSA-N 0 0 418.548 2.949 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3noc4ccccc34)CC2)cc1 ZINC000011553491 559101598 /nfs/dbraw/zinc/10/15/98/559101598.db2.gz PDIPHCJVKQYMCJ-UHFFFAOYSA-N 0 0 413.499 2.648 50 0 HFAARN O=C1C[C@@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1 ZINC000096471173 559110540 /nfs/dbraw/zinc/11/05/40/559110540.db2.gz BVSFUMVOSNOWCE-CQSZACIVSA-N 0 0 403.232 2.600 50 0 HFAARN Cc1cc(C)cc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccs3)c2=O)c1 ZINC000011613190 559113958 /nfs/dbraw/zinc/11/39/58/559113958.db2.gz GKHVZVOBOVLSGA-UHFFFAOYSA-N 0 0 420.494 2.924 50 0 HFAARN COC(=O)c1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000011615583 559114691 /nfs/dbraw/zinc/11/46/91/559114691.db2.gz TZQCJLGURZABAD-UHFFFAOYSA-N 0 0 419.437 2.896 50 0 HFAARN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1nc2ccccc2n1CC ZINC000011615649 559114805 /nfs/dbraw/zinc/11/48/05/559114805.db2.gz KBNYPEWXMVKWEP-UHFFFAOYSA-N 0 0 416.503 2.892 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(NCC(=O)NC)c1 ZINC000011625006 559116975 /nfs/dbraw/zinc/11/69/75/559116975.db2.gz QIWOSCFDPYFZCF-UHFFFAOYSA-N 0 0 420.535 2.627 50 0 HFAARN NC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000247756517 559117095 /nfs/dbraw/zinc/11/70/95/559117095.db2.gz WLZDLXMOFQHVCY-ROUUACIJSA-N 0 0 414.893 2.951 50 0 HFAARN COc1ccc(CC(=O)N2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1OC ZINC000098211667 559127432 /nfs/dbraw/zinc/12/74/32/559127432.db2.gz IHCAAVSXANVZAA-UHFFFAOYSA-N 0 0 406.486 2.985 50 0 HFAARN CCN(CC1CCN(c2ccccn2)CC1)C(=O)CNC(=O)/C=C/c1ccccc1 ZINC000072304680 559133571 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2.554 50 0 HFAARN COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1 ZINC000014182139 559155213 /nfs/dbraw/zinc/15/52/13/559155213.db2.gz XWKNYBYXFUDASD-GOSISDBHSA-N 0 0 410.923 2.968 50 0 HFAARN CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000014200421 559156615 /nfs/dbraw/zinc/15/66/15/559156615.db2.gz DBRMHMRDWGAKKQ-UHFFFAOYSA-N 0 0 419.503 2.722 50 0 HFAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCCSc1ccc(F)cc1 ZINC000014246052 559161867 /nfs/dbraw/zinc/16/18/67/559161867.db2.gz DOTHMVARXHKWTB-UHFFFAOYSA-N 0 0 421.519 2.553 50 0 HFAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2[C@@H]2CC(=O)N(C)C2=O)cc1OC ZINC000107424409 559165262 /nfs/dbraw/zinc/16/52/62/559165262.db2.gz IXWLIDCBWBLTFK-WZONZLPQSA-N 0 0 419.481 2.890 50 0 biogenic HFAARN C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1cc(COc2ccccc2)nn1 ZINC000257173745 559166890 /nfs/dbraw/zinc/16/68/90/559166890.db2.gz WCJKEUFICQIFRC-KRWDZBQOSA-N 0 0 409.465 2.906 50 0 HFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1ccc(C)cc1 ZINC000023653910 559178763 /nfs/dbraw/zinc/17/87/63/559178763.db2.gz XDXBPBXMSJRYJF-UHFFFAOYSA-N 0 0 401.459 2.932 50 0 HFAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000023743102 559179624 /nfs/dbraw/zinc/17/96/24/559179624.db2.gz KQKGJDJQSPHBFN-UHFFFAOYSA-N 0 0 416.499 2.596 50 0 HFAARN Cn1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2n(C)c1=O ZINC000050530532 559187295 /nfs/dbraw/zinc/18/72/95/559187295.db2.gz YLZPFLYYNZIQRL-UHFFFAOYSA-N 0 0 401.366 2.576 50 0 HFAARN CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000011694421 559188165 /nfs/dbraw/zinc/18/81/65/559188165.db2.gz UAWWKQBORPRRMI-UHFFFAOYSA-N 0 0 418.450 2.700 50 0 HFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC3CC3)c12 ZINC000011696253 559189357 /nfs/dbraw/zinc/18/93/57/559189357.db2.gz LHHPSTAUXOQFCN-CYBMUJFWSA-N 0 0 416.528 2.720 50 0 HFAARN COCCn1ccc2c1cccc2NC(=O)CCCn1nnc2ccccc2c1=O ZINC000072401645 559189544 /nfs/dbraw/zinc/18/95/44/559189544.db2.gz NOOWPQBQAACSCQ-UHFFFAOYSA-N 0 0 405.458 2.812 50 0 HFAARN COc1ccc(CN(Cc2nc(-c3ccc(OC)cc3)no2)S(C)(=O)=O)cc1 ZINC000033428900 559190851 /nfs/dbraw/zinc/19/08/51/559190851.db2.gz LJIYBKMGCIQXJV-UHFFFAOYSA-N 0 0 403.460 2.716 50 0 HFAARN COc1ccccc1CCNS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000004850658 559191911 /nfs/dbraw/zinc/19/19/11/559191911.db2.gz WSJSHJAWBSDFHY-CQSZACIVSA-N 0 0 400.500 2.613 50 0 HFAARN O=C(NCCCO)/C(=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000033446236 559193260 /nfs/dbraw/zinc/19/32/60/559193260.db2.gz GUXMXBKVSNUOQE-SFQUDFHCSA-N 0 0 403.276 2.719 50 0 HFAARN COc1ccc(N2C(=O)C[C@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000100344791 559195844 /nfs/dbraw/zinc/19/58/44/559195844.db2.gz SKRMGAKPBZQYJE-ZQAYIGKJSA-N 0 0 405.498 2.658 50 0 HFAARN O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1-c1ccccc1Cl ZINC000004903743 559200262 /nfs/dbraw/zinc/20/02/62/559200262.db2.gz QVESCCDEEZZQEV-UHFFFAOYSA-N 0 0 400.841 2.645 50 0 HFAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1C ZINC000004909387 559201371 /nfs/dbraw/zinc/20/13/71/559201371.db2.gz NNVNZKMJFFBQRM-HNNXBMFYSA-N 0 0 414.487 2.879 50 0 HFAARN CCN(CCNC(=O)Cn1nc(C)n2c3ccsc3cc2c1=O)c1ccccc1 ZINC000004912005 559203768 /nfs/dbraw/zinc/20/37/68/559203768.db2.gz HZXDWVJGSFLADB-UHFFFAOYSA-N 0 0 409.515 2.662 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1Cc1ccco1 ZINC000033531554 559207137 /nfs/dbraw/zinc/20/71/37/559207137.db2.gz LPHTWQQKYVMXGA-POHAHGRESA-N 0 0 415.453 2.813 50 0 HFAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ccc12 ZINC000004929984 559209028 /nfs/dbraw/zinc/20/90/28/559209028.db2.gz DXBWTTWIGUYBQA-DHSIGJKJSA-N 0 0 401.459 2.964 50 0 HFAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ccc12 ZINC000004930000 559209062 /nfs/dbraw/zinc/20/90/62/559209062.db2.gz DXBWTTWIGUYBQA-QIIPPGSGSA-N 0 0 401.459 2.964 50 0 HFAARN CCOC(=O)C[C@@H](NC(=O)CCc1c(C)nc2ncnn2c1C)c1ccc(C)cc1 ZINC000004936075 559210707 /nfs/dbraw/zinc/21/07/07/559210707.db2.gz VMDLYNRDUCHSIL-LJQANCHMSA-N 0 0 409.490 2.793 50 0 HFAARN CNS(=O)(=O)c1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)c(C)o1 ZINC000408514922 559213063 /nfs/dbraw/zinc/21/30/63/559213063.db2.gz BYTVQXJSAQIOIU-UHFFFAOYSA-N 0 0 409.464 2.689 50 0 HFAARN CCc1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1 ZINC000004941104 559213638 /nfs/dbraw/zinc/21/36/38/559213638.db2.gz ZOLLLTWOBXCHCH-UHFFFAOYSA-N 0 0 400.460 2.641 50 0 HFAARN COc1ccccc1CNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000004941627 559213721 /nfs/dbraw/zinc/21/37/21/559213721.db2.gz FJSHQBQDANLRJM-UHFFFAOYSA-N 0 0 408.483 2.883 50 0 HFAARN C/C=C/COc1ccccc1N1CCn2c1nc1c2c(=O)n(C/C=C/C)c(=O)n1C ZINC000004945231 559213920 /nfs/dbraw/zinc/21/39/20/559213920.db2.gz YBQVMUDYSAPCAN-YDFGWWAZSA-N 0 0 407.474 2.579 50 0 HFAARN COc1ccc(OC)c(CCNC(=O)Cn2ncc3c2c2cc(C)ccc2oc3=O)c1 ZINC000004961890 559217865 /nfs/dbraw/zinc/21/78/65/559217865.db2.gz GRNNVUWVCDEELL-UHFFFAOYSA-N 0 0 421.453 2.827 50 0 HFAARN COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c1 ZINC000004969490 559219109 /nfs/dbraw/zinc/21/91/09/559219109.db2.gz UCZXNQNMAWEPOF-UHFFFAOYSA-N 0 0 404.473 2.801 50 0 HFAARN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 ZINC000005005071 559226893 /nfs/dbraw/zinc/22/68/93/559226893.db2.gz RHAFYWYFAGBXAW-INIZCTEOSA-N 0 0 405.476 2.533 50 0 HFAARN COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000005033973 559231801 /nfs/dbraw/zinc/23/18/01/559231801.db2.gz JFHWSGLRLSOONH-LBPRGKRZSA-N 0 0 412.475 2.749 50 0 HFAARN CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O ZINC000005037651 559232532 /nfs/dbraw/zinc/23/25/32/559232532.db2.gz RZJUFLOKARBBFQ-SFHVURJKSA-N 0 0 408.454 2.986 50 0 HFAARN CCCCN(C(=O)COC(=O)c1ccc2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 ZINC000005039395 559233202 /nfs/dbraw/zinc/23/32/02/559233202.db2.gz CDAOZAFFBZBKNV-INIZCTEOSA-N 0 0 419.499 2.518 50 0 HFAARN COc1cccc(C(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)C[C@@H]2CCCO2)c1 ZINC000005074636 559240793 /nfs/dbraw/zinc/24/07/93/559240793.db2.gz LZAIHXCSIFBGJQ-FQEVSTJZSA-N 0 0 419.499 2.855 50 0 HFAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(Cl)c1 ZINC000005070719 559241332 /nfs/dbraw/zinc/24/13/32/559241332.db2.gz QWUMITUWJQXYLA-UHFFFAOYSA-N 0 0 403.851 2.772 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCC1 ZINC000005080232 559242135 /nfs/dbraw/zinc/24/21/35/559242135.db2.gz FWAYMOFEFSXTCH-UHFFFAOYSA-N 0 0 406.460 2.558 50 0 HFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000005084288 559242308 /nfs/dbraw/zinc/24/23/08/559242308.db2.gz ITBJCKJLSUGSBY-UHFFFAOYSA-N 0 0 410.565 2.587 50 0 HFAARN COc1ccc(N(C(=O)[C@@H](C)Oc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 ZINC000005080653 559242653 /nfs/dbraw/zinc/24/26/53/559242653.db2.gz UNLAELFTRZLVKB-HZPDHXFCSA-N 0 0 417.483 2.815 50 0 HFAARN COc1ccccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000005087728 559243117 /nfs/dbraw/zinc/24/31/17/559243117.db2.gz GTXCWRIIMRVYLK-GOSISDBHSA-N 0 0 408.502 2.641 50 0 HFAARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000005113763 559247227 /nfs/dbraw/zinc/24/72/27/559247227.db2.gz HTHMLSNCAFTTPU-HNNXBMFYSA-N 0 0 409.442 2.677 50 0 HFAARN COC(=O)Cc1cc(=O)[nH]c(SCC(=O)N(c2ccccc2)C2CCCCC2)n1 ZINC000005118212 559247381 /nfs/dbraw/zinc/24/73/81/559247381.db2.gz NCZYKHXDXAZULQ-UHFFFAOYSA-N 0 0 415.515 2.943 50 0 HFAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000005118484 559247389 /nfs/dbraw/zinc/24/73/89/559247389.db2.gz YKDJTPKPVJUVDF-UHFFFAOYSA-N 0 0 411.241 2.728 50 0 HFAARN O=C(CN1c2ccccc2S(=O)(=O)CCC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005146068 559252484 /nfs/dbraw/zinc/25/24/84/559252484.db2.gz SFRYTXAAGAATGV-UHFFFAOYSA-N 0 0 412.389 2.855 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCc4cccc(Cl)c4)C3)sc2n1 ZINC000005149016 559253117 /nfs/dbraw/zinc/25/31/17/559253117.db2.gz PZQMSWLDYLGYLT-CQSZACIVSA-N 0 0 417.922 2.646 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NC[C@@H](C)c4ccccc4)C3)sc2n1 ZINC000005149103 559253226 /nfs/dbraw/zinc/25/32/26/559253226.db2.gz ZMTHBPIIVFFEKZ-RHSMWYFYSA-N 0 0 411.531 2.596 50 0 HFAARN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 ZINC000005152807 559254220 /nfs/dbraw/zinc/25/42/20/559254220.db2.gz ZWPFTBYTMXRWPC-NRFANRHFSA-N 0 0 419.481 2.825 50 0 HFAARN COc1ccc2c(c1)N1CCN(c3ccccc3)C[C@@H]1[C@H](C(=O)NC[C@H]1CCCO1)C2 ZINC000247932730 559255568 /nfs/dbraw/zinc/25/55/68/559255568.db2.gz GFKMTENXVHTYQU-CQOQZXRMSA-N 0 0 421.541 2.858 50 0 HFAARN O=C(COc1cccc(C(F)(F)F)c1)NCCn1nc(-c2cccnc2)ccc1=O ZINC000011744189 559256658 /nfs/dbraw/zinc/25/66/58/559256658.db2.gz NEUSTMXOOBMGDA-UHFFFAOYSA-N 0 0 418.375 2.519 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1 ZINC000011757664 559257682 /nfs/dbraw/zinc/25/76/82/559257682.db2.gz FMOUKAASLRCHRW-UHFFFAOYSA-N 0 0 421.519 2.821 50 0 HFAARN COc1ccc(-c2nc(SCc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758162 559257771 /nfs/dbraw/zinc/25/77/71/559257771.db2.gz NFDJKQRXEQNSPQ-UHFFFAOYSA-N 0 0 420.494 2.995 50 0 HFAARN COc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(OC)cc2)cc1 ZINC000011758666 559258060 /nfs/dbraw/zinc/25/80/60/559258060.db2.gz PKYXOUSYVWTCOD-UHFFFAOYSA-N 0 0 422.470 2.959 50 0 HFAARN O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)NC[C@@H]1CCCO1 ZINC000011794002 559259596 /nfs/dbraw/zinc/25/95/96/559259596.db2.gz CZUSYQPOBBYAQC-ZDUSSCGKSA-N 0 0 406.533 2.958 50 0 HFAARN NC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc(Br)cc1F ZINC000011867880 559264565 /nfs/dbraw/zinc/26/45/65/559264565.db2.gz RPYPOFZBKKPKKO-UHFFFAOYSA-N 0 0 409.255 2.871 50 0 HFAARN CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1nnnc1CN1CCCC1 ZINC000011873504 559264791 /nfs/dbraw/zinc/26/47/91/559264791.db2.gz TXYFIXOXJHNBKU-JOCHJYFZSA-N 0 0 407.522 2.532 50 0 HFAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000011906031 559266627 /nfs/dbraw/zinc/26/66/27/559266627.db2.gz WHWIWASPDXFTJE-UHFFFAOYSA-N 0 0 414.892 2.516 50 0 HFAARN O=C1[C@H]2[C@H](c3ccccc3)N3CCCN3[C@@H]2C(=O)N1c1ccccc1Br ZINC000100795598 559268087 /nfs/dbraw/zinc/26/80/87/559268087.db2.gz LBJOWACEDXYZPE-BZSNNMDCSA-N 0 0 412.287 2.985 50 0 HFAARN COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[NH+]3CCCC3)c1[O-])CC2 ZINC000100796321 559268193 /nfs/dbraw/zinc/26/81/93/559268193.db2.gz ZCWWCOUUUKADOI-UHFFFAOYSA-N 0 0 400.475 2.517 50 0 biogenic HFAARN COc1ccc(-c2cc(C(=O)Nc3nccs3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011996937 559270210 /nfs/dbraw/zinc/27/02/10/559270210.db2.gz SEUFVXVBKGAXAI-CYBMUJFWSA-N 0 0 418.500 2.627 50 0 HFAARN CC1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccco2)CC1 ZINC000011999600 559270548 /nfs/dbraw/zinc/27/05/48/559270548.db2.gz MVUNVJBAQLVOEJ-KRWDZBQOSA-N 0 0 406.504 2.802 50 0 HFAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000050852367 559277408 /nfs/dbraw/zinc/27/74/08/559277408.db2.gz LUDRJFYEYWMTEF-JTSKRJEESA-N 0 0 409.511 2.509 50 0 HFAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000252549989 559278184 /nfs/dbraw/zinc/27/81/84/559278184.db2.gz RYRJPUZQENFXRW-OAHLLOKOSA-N 0 0 407.455 2.859 50 0 HFAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCn1ccc2ccccc21 ZINC000252536745 559278185 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/nfs/dbraw/zinc/89/18/85/560891885.db2.gz KYEOPRCMLYGLKJ-LJQANCHMSA-N 0 0 402.516 2.714 50 0 HFAARN O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCc2sccc2C1 ZINC000012214523 560892449 /nfs/dbraw/zinc/89/24/49/560892449.db2.gz MFXGUEQFHQHMBR-UHFFFAOYSA-N 0 0 408.520 2.873 50 0 HFAARN Cc1cc(SCC(=O)OCC(=O)N2CCCC2=O)c(C)cc1Br ZINC000005752014 560893224 /nfs/dbraw/zinc/89/32/24/560893224.db2.gz OLAMIERATHZLCZ-UHFFFAOYSA-N 0 0 400.294 2.850 50 0 HFAARN COC(=O)c1ccc(CNC(=O)CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000106920950 560894409 /nfs/dbraw/zinc/89/44/09/560894409.db2.gz FXFKYGRNLVCPAX-PMACEKPBSA-N 0 0 416.518 2.533 50 0 HFAARN COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000211089947 560894734 /nfs/dbraw/zinc/89/47/34/560894734.db2.gz LMTLBYMWFPAKHF-CQSZACIVSA-N 0 0 412.364 2.511 50 0 HFAARN O=S(=O)(CCc1ccccc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105946 560895033 /nfs/dbraw/zinc/89/50/33/560895033.db2.gz NKSRIHGCORTYAX-IBGZPJMESA-N 0 0 411.520 2.636 50 0 HFAARN CN(CCOc1ccccc1Cl)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000107085264 560895302 /nfs/dbraw/zinc/89/53/02/560895302.db2.gz FJJLGMGZRMPHIH-QILLFSRXSA-N 0 0 411.955 2.903 50 0 HFAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000108093705 560897946 /nfs/dbraw/zinc/89/79/46/560897946.db2.gz BDFABTFVFOQPNA-GJZGRUSLSA-N 0 0 410.946 2.645 50 0 HFAARN COc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1OC ZINC000045961419 568422666 /nfs/dbraw/zinc/42/26/66/568422666.db2.gz DZPQIVVBGKAGDE-UHFFFAOYSA-N 0 0 422.466 2.765 50 0 HFAARN Cc1nn(CCC(=O)NCc2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000045998071 568423211 /nfs/dbraw/zinc/42/32/11/568423211.db2.gz FEYFMKDXUFITPA-UHFFFAOYSA-N 0 0 418.563 2.689 50 0 HFAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)CC(C)C ZINC000045995814 568423226 /nfs/dbraw/zinc/42/32/26/568423226.db2.gz GHDOIYVQTDYAKT-UHFFFAOYSA-N 0 0 413.430 2.946 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCc3ccco3)n2C)c1 ZINC000046031261 568424470 /nfs/dbraw/zinc/42/44/70/568424470.db2.gz FTDXZPVHVQLYDH-UHFFFAOYSA-N 0 0 403.504 2.774 50 0 HFAARN CCSc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1Br)CC(=O)N2 ZINC000046073882 568426596 /nfs/dbraw/zinc/42/65/96/568426596.db2.gz XCNBZJACCOCSRO-MRVPVSSYSA-N 0 0 423.292 2.709 50 0 HFAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Cc3ccc(C)cc3)CC2)cc1 ZINC000046145431 568430487 /nfs/dbraw/zinc/43/04/87/568430487.db2.gz NQMFTSPHDCLBOU-UHFFFAOYSA-N 0 0 402.516 2.516 50 0 HFAARN Cc1cccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000046145273 568430513 /nfs/dbraw/zinc/43/05/13/568430513.db2.gz XPPFBIKESYJTCS-UHFFFAOYSA-N 0 0 422.934 2.997 50 0 HFAARN O=C(Cc1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000046145257 568430522 /nfs/dbraw/zinc/43/05/22/568430522.db2.gz YYVQOPZCNASWFH-UHFFFAOYSA-N 0 0 410.898 2.991 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000047745820 568431008 /nfs/dbraw/zinc/43/10/08/568431008.db2.gz GKUBBWIRHYUAPG-UHFFFAOYSA-N 0 0 402.520 2.859 50 0 HFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3nnc(-c4ccccn4)s3)CC2)c(C)o1 ZINC000048095387 568431961 /nfs/dbraw/zinc/43/19/61/568431961.db2.gz HVVDTUFAORWBNL-UHFFFAOYSA-N 0 0 412.475 2.800 50 0 HFAARN COc1cc(NC(=O)[C@H](C)NC(=O)c2ccoc2)ccc1NC(=O)c1cccnc1 ZINC000048231797 568433481 /nfs/dbraw/zinc/43/34/81/568433481.db2.gz NNFAHKNHELHTBG-ZDUSSCGKSA-N 0 0 408.414 2.693 50 0 HFAARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000048263450 568433645 /nfs/dbraw/zinc/43/36/45/568433645.db2.gz RQCCNZULYZRRDH-RTWAWAEBSA-N 0 0 421.497 2.898 50 0 HFAARN Cc1ccc(Oc2cc(CNS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)ccn2)cc1C ZINC000048274900 568435512 /nfs/dbraw/zinc/43/55/12/568435512.db2.gz FXOWTXNDROXJMV-CALCHBBNSA-N 0 0 405.520 2.934 50 0 HFAARN CCN(CCCNC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C)c1ccccc1 ZINC000048276501 568435565 /nfs/dbraw/zinc/43/55/65/568435565.db2.gz DVUFQCIENNDBJG-QFIPXVFZSA-N 0 0 422.533 2.807 50 0 HFAARN Cc1oc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048278292 568435686 /nfs/dbraw/zinc/43/56/86/568435686.db2.gz PIXHHDQBXRXVLE-UHFFFAOYSA-N 0 0 419.459 2.581 50 0 HFAARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000048277861 568435775 /nfs/dbraw/zinc/43/57/75/568435775.db2.gz OUHOONWUBQFINT-OAQYLSRUSA-N 0 0 405.498 2.903 50 0 HFAARN CCN([C@H](C)COC)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000048286660 568436116 /nfs/dbraw/zinc/43/61/16/568436116.db2.gz NCYGSJGTTFYPQO-LLVKDONJSA-N 0 0 420.318 2.585 50 0 HFAARN O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000048309459 568436349 /nfs/dbraw/zinc/43/63/49/568436349.db2.gz KFLAUVCMRNFJEX-MRXNPFEDSA-N 0 0 414.487 2.501 50 0 HFAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)C1CCC1 ZINC000048325563 568438637 /nfs/dbraw/zinc/43/86/37/568438637.db2.gz FMXCPRXXWDGDJE-UHFFFAOYSA-N 0 0 421.563 2.827 50 0 HFAARN Cc1ccc(OCCN(C)C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000048326713 568439719 /nfs/dbraw/zinc/43/97/19/568439719.db2.gz XWWSUWTVEPQQHX-OAQYLSRUSA-N 0 0 410.518 2.987 50 0 HFAARN COC(=O)c1cccc(C(=O)NCCc2cc(OC)c(OC)cc2Br)n1 ZINC000048344195 568440721 /nfs/dbraw/zinc/44/07/21/568440721.db2.gz QHAAWNGCJOFGKW-UHFFFAOYSA-N 0 0 423.263 2.620 50 0 HFAARN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000048344589 568440857 /nfs/dbraw/zinc/44/08/57/568440857.db2.gz DHGORCBDYYFBIK-MRXNPFEDSA-N 0 0 421.497 2.794 50 0 HFAARN O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)NCc1cccs1 ZINC000049009212 568445320 /nfs/dbraw/zinc/44/53/20/568445320.db2.gz GAPAFTZBJAFYKS-UHFFFAOYSA-N 0 0 403.533 2.694 50 0 HFAARN O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)NCc1ccc(F)cc1 ZINC000049009205 568445327 /nfs/dbraw/zinc/44/53/27/568445327.db2.gz OXBRAFSOFLJCJB-UHFFFAOYSA-N 0 0 415.494 2.771 50 0 HFAARN Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)s1 ZINC000049029006 568445626 /nfs/dbraw/zinc/44/56/26/568445626.db2.gz LKHWFSHQVHRAFF-UHFFFAOYSA-N 0 0 401.477 2.622 50 0 HFAARN CCNC(=O)c1cn(-c2ccc(SCC(=O)Nc3cc(C)ccc3C)nn2)cn1 ZINC000049401235 568447747 /nfs/dbraw/zinc/44/77/47/568447747.db2.gz GYYYCDHNVCKNKY-UHFFFAOYSA-N 0 0 410.503 2.760 50 0 HFAARN CCOC(=O)c1cn(Cc2cc(C)ccc2C)nc1S(=O)(=O)N1CCCCC1 ZINC000049402245 568447970 /nfs/dbraw/zinc/44/79/70/568447970.db2.gz QIJBQOCOKIINDP-UHFFFAOYSA-N 0 0 405.520 2.900 50 0 HFAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)NCc3ccc(Cl)cc3)c(=O)n21 ZINC000049407194 568449157 /nfs/dbraw/zinc/44/91/57/568449157.db2.gz UVVRYHFWDHAMKG-UHFFFAOYSA-N 0 0 407.861 2.836 50 0 HFAARN COc1ccccc1-n1ccn(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)c1=O ZINC000049407777 568449175 /nfs/dbraw/zinc/44/91/75/568449175.db2.gz VTWPXVAYNNMESV-UHFFFAOYSA-N 0 0 410.817 2.760 50 0 HFAARN Cc1cc(C)cc(NC(=O)CN2N=C(c3nc(-c4cccnc4)no3)CCC2=O)c1 ZINC000049407531 568449195 /nfs/dbraw/zinc/44/91/95/568449195.db2.gz FFOXHHQEGRNDLP-UHFFFAOYSA-N 0 0 404.430 2.714 50 0 HFAARN Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c(C)c1 ZINC000049409217 568449554 /nfs/dbraw/zinc/44/95/54/568449554.db2.gz AYUPYFNGTCCYEY-UHFFFAOYSA-N 0 0 417.531 2.669 50 0 HFAARN COc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)c(OC)c1 ZINC000049411212 568450027 /nfs/dbraw/zinc/45/00/27/568450027.db2.gz ASVHMVKGDICTFJ-UHFFFAOYSA-N 0 0 408.462 2.922 50 0 HFAARN O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)N1CCCc2ccccc21 ZINC000049410809 568450069 /nfs/dbraw/zinc/45/00/69/568450069.db2.gz YRBJSFHPZVTWCC-UHFFFAOYSA-N 0 0 418.432 2.753 50 0 HFAARN CCc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000049595338 568452456 /nfs/dbraw/zinc/45/24/56/568452456.db2.gz BDOPQOULKJXALU-FQEVSTJZSA-N 0 0 405.498 2.587 50 0 HFAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C(C)C)n1 ZINC000012231539 568453535 /nfs/dbraw/zinc/45/35/35/568453535.db2.gz VQOSNWQGIGFSRG-UHFFFAOYSA-N 0 0 406.490 2.523 50 0 HFAARN CCCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C ZINC000012231555 568453660 /nfs/dbraw/zinc/45/36/60/568453660.db2.gz IZNINABVJSAVRM-UHFFFAOYSA-N 0 0 406.490 2.548 50 0 HFAARN Cc1cc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)no1 ZINC000012233241 568454443 /nfs/dbraw/zinc/45/44/43/568454443.db2.gz MQFVYQMOVJDPID-CYBMUJFWSA-N 0 0 408.443 2.554 50 0 HFAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NC1CCCC1 ZINC000012233357 568454646 /nfs/dbraw/zinc/45/46/46/568454646.db2.gz KIICOJXCMNCIRC-HNNXBMFYSA-N 0 0 413.478 2.817 50 0 HFAARN O=C(Nc1nnc(-c2ccno2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012234431 568454977 /nfs/dbraw/zinc/45/49/77/568454977.db2.gz GUFONIQLSPHJQM-UHFFFAOYSA-N 0 0 417.447 2.542 50 0 HFAARN O=C(NCc1cccnc1-n1cccn1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000024642653 568455475 /nfs/dbraw/zinc/45/54/75/568455475.db2.gz BURNRMURUSKYQB-UHFFFAOYSA-N 0 0 422.448 2.896 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1C ZINC000012251966 568456356 /nfs/dbraw/zinc/45/63/56/568456356.db2.gz ALCDCHUZNMVQRL-UHFFFAOYSA-N 0 0 405.476 2.600 50 0 HFAARN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000012263960 568456895 /nfs/dbraw/zinc/45/68/95/568456895.db2.gz XFNIGAUEZSOHHO-IBGZPJMESA-N 0 0 421.563 2.886 50 0 HFAARN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)Cn3nnc4ccccc43)cc21 ZINC000000644354 568457017 /nfs/dbraw/zinc/45/70/17/568457017.db2.gz VQFYHEARGNNWGU-HNNXBMFYSA-N 0 0 408.458 2.848 50 0 HFAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000000682115 568461569 /nfs/dbraw/zinc/46/15/69/568461569.db2.gz YYUCHCZUAQTKFW-CQSZACIVSA-N 0 0 403.504 2.863 50 0 HFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000000682116 568461583 /nfs/dbraw/zinc/46/15/83/568461583.db2.gz YYUCHCZUAQTKFW-AWEZNQCLSA-N 0 0 403.504 2.863 50 0 HFAARN CC1=C(C(=O)OC(C)(C)C)[C@@]2(c3ccccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 ZINC000000706151 568463500 /nfs/dbraw/zinc/46/35/00/568463500.db2.gz MNTDQFKWGGQWQU-QFIPXVFZSA-N 0 0 414.458 2.644 50 0 HFAARN CCc1csc(CCNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000012304168 568465038 /nfs/dbraw/zinc/46/50/38/568465038.db2.gz GBTCGOQWGKTOJO-INIZCTEOSA-N 0 0 403.523 2.985 50 0 HFAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2cccs2)CC1 ZINC000000715729 568465749 /nfs/dbraw/zinc/46/57/49/568465749.db2.gz 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COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1 ZINC000020902171 568650116 /nfs/dbraw/zinc/65/01/16/568650116.db2.gz LDHLBOICYUICOM-UHFFFAOYSA-N 0 0 404.473 2.624 50 0 HFAARN CC(C)n1cnnc1SCC(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000225591098 568655232 /nfs/dbraw/zinc/65/52/32/568655232.db2.gz QWQZDGFKZGWCBS-UHFFFAOYSA-N 0 0 409.943 2.758 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)c(C)c1 ZINC000021019163 568658081 /nfs/dbraw/zinc/65/80/81/568658081.db2.gz YLKYVONUWMFHNB-UHFFFAOYSA-N 0 0 400.500 2.915 50 0 HFAARN Cc1nn(CCC(=O)Nc2ccc(F)cc2C)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029146 568659100 /nfs/dbraw/zinc/65/91/00/568659100.db2.gz HASHVPJHIBSOGF-UHFFFAOYSA-N 0 0 408.499 2.761 50 0 HFAARN CCOCCS(=O)(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000225656748 568660676 /nfs/dbraw/zinc/66/06/76/568660676.db2.gz CBBRJQPWQNHXIS-NSHDSACASA-N 0 0 402.314 2.856 50 0 HFAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCCC1)CCS2 ZINC000021094171 568664546 /nfs/dbraw/zinc/66/45/46/568664546.db2.gz 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ZINC000021154392 568673293 /nfs/dbraw/zinc/67/32/93/568673293.db2.gz BOCWEHHWMFNWNB-UHFFFAOYSA-N 0 0 404.536 2.532 50 0 HFAARN C=C1C(NCC(=O)NCc2cccc(C)c2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000021163170 568674473 /nfs/dbraw/zinc/67/44/73/568674473.db2.gz LPGYSCOLJAKCJJ-UHFFFAOYSA-N 0 0 411.527 2.991 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccccc3Cl)sc2n1 ZINC000021165205 568674638 /nfs/dbraw/zinc/67/46/38/568674638.db2.gz GPAGNAOKZDOFBZ-UHFFFAOYSA-N 0 0 405.911 2.510 50 0 HFAARN COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3cc(C)nn3C)c2C)c1 ZINC000095998530 568679700 /nfs/dbraw/zinc/67/97/00/568679700.db2.gz JBDMLYVOKZKDFC-FQEVSTJZSA-N 0 0 409.490 2.753 50 0 HFAARN COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000095998760 568680180 /nfs/dbraw/zinc/68/01/80/568680180.db2.gz IZJMANSHZMQTME-VEYWMJLUSA-N 0 0 400.523 2.773 50 0 HFAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007967438 568680597 /nfs/dbraw/zinc/68/05/97/568680597.db2.gz HJNBTNJJZODKEP-UHFFFAOYSA-N 0 0 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JMQYCELZCRPHJR-FCDRMGDPSA-N 0 0 406.548 2.529 50 0 HFAARN COc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000241126183 568730731 /nfs/dbraw/zinc/73/07/31/568730731.db2.gz JKDKHMMBJKMLBJ-OAHLLOKOSA-N 0 0 416.421 2.771 50 0 HFAARN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2coc(-c3ccc(OC)cc3)n2)cn1 ZINC000241965545 568732071 /nfs/dbraw/zinc/73/20/71/568732071.db2.gz UTRRZYPNTAWSEF-HMILPKGGSA-N 0 0 400.504 2.872 50 0 HFAARN COc1ccccc1CNC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324692 568734268 /nfs/dbraw/zinc/73/42/68/568734268.db2.gz NEDNJVBSUGEREB-UHFFFAOYSA-N 0 0 419.485 2.649 50 0 HFAARN CCOc1ccc([C@H]2Nc3ccccc3-n3cc4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000021659173 568735207 /nfs/dbraw/zinc/73/52/07/568735207.db2.gz UMETYVSMTMTQEO-LJQANCHMSA-N 0 0 402.454 2.942 50 0 HFAARN COc1ccc(NC(=O)C2CCN(c3nc4nc[nH]c(=O)c4s3)CC2)cc1OC ZINC000096331548 568736078 /nfs/dbraw/zinc/73/60/78/568736078.db2.gz CGIJARWNTLKNRQ-UHFFFAOYSA-N 0 0 415.475 2.664 50 0 HFAARN CCC(CC)C(=O)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000096333090 568736435 /nfs/dbraw/zinc/73/64/35/568736435.db2.gz HLVQRHZPDRBSAY-UHFFFAOYSA-N 0 0 419.529 2.925 50 0 HFAARN Cc1ccc([C@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)OCCO)cc1 ZINC000096338119 568736732 /nfs/dbraw/zinc/73/67/32/568736732.db2.gz CNSSONZGDUNWNL-KRWDZBQOSA-N 0 0 419.421 2.922 50 0 HFAARN O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1nc(-c2ccccc2)cs1 ZINC000096344458 568737288 /nfs/dbraw/zinc/73/72/88/568737288.db2.gz XHJKGFAVDBUSFS-UHFFFAOYSA-N 0 0 408.527 2.995 50 0 HFAARN Cc1c(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)sc2ncn(C)c(=O)c12 ZINC000018666684 568738324 /nfs/dbraw/zinc/73/83/24/568738324.db2.gz KLZWFIRDWMCRDF-ZDUSSCGKSA-N 0 0 403.504 2.855 50 0 HFAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000000886559 568738922 /nfs/dbraw/zinc/73/89/22/568738922.db2.gz ZVXMEAOKQPERKL-HNNXBMFYSA-N 0 0 408.907 2.831 50 0 HFAARN CN1CCc2cc([C@H](O)CNS(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000096362782 568739363 /nfs/dbraw/zinc/73/93/63/568739363.db2.gz KBIRXSFRWBZQQR-CYBMUJFWSA-N 0 0 417.350 2.515 50 0 HFAARN C[C@H]1CCCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccn3)C2=O)C1 ZINC000096372487 568739826 /nfs/dbraw/zinc/73/98/26/568739826.db2.gz IKURCGNOBRGXPX-INIZCTEOSA-N 0 0 403.486 2.959 50 0 HFAARN COc1ccc(-n2c(=O)n(CC(=O)NCc3ccc(F)cc3)c3cccnc32)cc1 ZINC000096385638 568742057 /nfs/dbraw/zinc/74/20/57/568742057.db2.gz CAZGYQHPGLXZJJ-UHFFFAOYSA-N 0 0 406.417 2.651 50 0 HFAARN COc1ccccc1C(=O)NCCn1c2ncccc2n(Cc2ccc(C)cc2)c1=O ZINC000096386003 568742309 /nfs/dbraw/zinc/74/23/09/568742309.db2.gz OYCNPUWSQPZHIW-UHFFFAOYSA-N 0 0 416.481 2.993 50 0 HFAARN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1cccc(F)c1 ZINC000096386099 568742477 /nfs/dbraw/zinc/74/24/77/568742477.db2.gz COFBRRKLOYKRMJ-UHFFFAOYSA-N 0 0 408.408 2.955 50 0 HFAARN O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NCc1ccccc1 ZINC000000894299 568742531 /nfs/dbraw/zinc/74/25/31/568742531.db2.gz ZPNMDMFWBRDAAD-KRWDZBQOSA-N 0 0 409.511 2.984 50 0 HFAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)c1 ZINC000096387226 568744079 /nfs/dbraw/zinc/74/40/79/568744079.db2.gz DYPFCZZCDYMZCW-OAHLLOKOSA-N 0 0 407.474 2.575 50 0 HFAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4cnc5nccnc5c4)C3)CC2)c1 ZINC000096387237 568744197 /nfs/dbraw/zinc/74/41/97/568744197.db2.gz HCRHHCCYJFEMJN-IBGZPJMESA-N 0 0 416.529 2.898 50 0 HFAARN COCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)C1 ZINC000021705940 568744424 /nfs/dbraw/zinc/74/44/24/568744424.db2.gz VBZBEDDEIUUHIO-FQEVSTJZSA-N 0 0 423.513 2.862 50 0 HFAARN COc1cccc([C@H](CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)OC)c1 ZINC000096390072 568744559 /nfs/dbraw/zinc/74/45/59/568744559.db2.gz OKUGBDLRDSKVPI-FQEVSTJZSA-N 0 0 405.516 2.924 50 0 HFAARN Cc1oc(C2CCN(C(=O)c3ccc(F)cc3F)CC2)nc1C(=O)N1CCOCC1 ZINC000096396985 568745574 /nfs/dbraw/zinc/74/55/74/568745574.db2.gz PVBXQFNABXKAFZ-UHFFFAOYSA-N 0 0 419.428 2.753 50 0 HFAARN Cc1oc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc1C(=O)N(C)C ZINC000096397118 568745769 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2.554 50 0 HFAARN CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1cccc(F)c1 ZINC000003301924 568876795 /nfs/dbraw/zinc/87/67/95/568876795.db2.gz NNVSLCINLWTPLC-UHFFFAOYSA-N 0 0 400.450 2.926 50 0 HFAARN Cc1ccsc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003302730 568877171 /nfs/dbraw/zinc/87/71/71/568877171.db2.gz BZUXIVGLMCSEQL-UHFFFAOYSA-N 0 0 408.501 2.637 50 0 HFAARN Cc1c(NC(=O)CSc2nnc(-c3ccncc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000003309137 568877753 /nfs/dbraw/zinc/87/77/53/568877753.db2.gz LRRGXJTWSCWERE-UHFFFAOYSA-N 0 0 422.470 2.660 50 0 HFAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2c[nH]cn2)c2ccccc21 ZINC000263585370 568878538 /nfs/dbraw/zinc/87/85/38/568878538.db2.gz HWPHIYKOZUVGOQ-SFHVURJKSA-N 0 0 411.506 2.696 50 0 biogenic HFAARN CCc1sc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1C ZINC000012626748 568878624 /nfs/dbraw/zinc/87/86/24/568878624.db2.gz HZLJFONRMMTQHD-UHFFFAOYSA-N 0 0 422.572 2.711 50 0 HFAARN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2cc3ccccc3o2)cc1 ZINC000003314266 568879001 /nfs/dbraw/zinc/87/90/01/568879001.db2.gz VEAQQFFHHADDKC-UHFFFAOYSA-N 0 0 401.440 2.836 50 0 HFAARN COc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)c(OC)c1 ZINC000004032804 568878996 /nfs/dbraw/zinc/87/89/96/568878996.db2.gz ZKIVHENWMDFPJW-UHFFFAOYSA-N 0 0 412.442 2.535 50 0 HFAARN O=C(COC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)NCc1ccco1 ZINC000003315474 568879249 /nfs/dbraw/zinc/87/92/49/568879249.db2.gz HHTLXNWTEWKWRD-OALUTQOASA-N 0 0 410.470 2.835 50 0 HFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)CC)[C@@H](c3ccccc3)C2)cc1 ZINC000004036202 568879714 /nfs/dbraw/zinc/87/97/14/568879714.db2.gz MWOLWINUXIZEST-LJQANCHMSA-N 0 0 421.544 2.949 50 0 HFAARN CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3)C2)cc1 ZINC000004036203 568879731 /nfs/dbraw/zinc/87/97/31/568879731.db2.gz BRLGHJFKWHXLIL-SFHVURJKSA-N 0 0 407.517 2.559 50 0 HFAARN COc1ccc(C(=O)NCC2N=NC(=S)N2c2ccccc2OC)cc1OC ZINC000004059247 568880924 /nfs/dbraw/zinc/88/09/24/568880924.db2.gz LIXVIBMOTSRVCE-UHFFFAOYSA-N 0 0 400.460 2.512 50 0 HFAARN COC(=O)c1cn(CCn2ccc3ccc(Br)cc32)cc2c(=O)[nH]nc1-2 ZINC000263587084 568882143 /nfs/dbraw/zinc/88/21/43/568882143.db2.gz BYBPDOHZVKWTOX-UHFFFAOYSA-N 0 0 415.247 2.880 50 0 HFAARN C[C@@H](C(=O)NCc1ccco1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004073196 568882398 /nfs/dbraw/zinc/88/23/98/568882398.db2.gz NSRWMVXYJNPXIM-XMHCIUCPSA-N 0 0 406.442 2.501 50 0 biogenic HFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000003334508 568882662 /nfs/dbraw/zinc/88/26/62/568882662.db2.gz PDUXXPLXAMMKRT-UHFFFAOYSA-N 0 0 420.556 2.782 50 0 HFAARN COCCn1ccc2c1cccc2OCC(=O)Nc1nc(C(=O)OC)c(C)s1 ZINC000263587470 568883172 /nfs/dbraw/zinc/88/31/72/568883172.db2.gz HGAVYVPJGSQDKS-UHFFFAOYSA-N 0 0 403.460 2.857 50 0 HFAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)c2ccccc2Cl)cc1 ZINC000003351449 568885843 /nfs/dbraw/zinc/88/58/43/568885843.db2.gz DJDXRXIDKDMSNC-GFCCVEGCSA-N 0 0 410.879 2.881 50 0 HFAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc(I)c1 ZINC000003359829 568887603 /nfs/dbraw/zinc/88/76/03/568887603.db2.gz OKTALRSUHBXQHU-UHFFFAOYSA-N 0 0 405.199 2.583 50 0 HFAARN CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2CC(N)=O)sc2c1CC[C@@H](C)C2 ZINC000058159978 568894183 /nfs/dbraw/zinc/89/41/83/568894183.db2.gz YWDGFNXCIAZBNC-KGLIPLIRSA-N 0 0 421.563 2.718 50 0 HFAARN O=C(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1 ZINC000003396538 568895482 /nfs/dbraw/zinc/89/54/82/568895482.db2.gz QDHNTAPXLLVEDY-UHFFFAOYSA-N 0 0 419.275 2.990 50 0 HFAARN CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000003407133 568897270 /nfs/dbraw/zinc/89/72/70/568897270.db2.gz MDAWJIDQWHPCOP-GJZGRUSLSA-N 0 0 416.499 2.939 50 0 HFAARN Cn1c2ccc(C(=O)NCCN3CCCc4ccccc43)cc2nc1N1CCOCC1 ZINC000670443546 568902019 /nfs/dbraw/zinc/90/20/19/568902019.db2.gz YRXYCKZKZLCVKN-UHFFFAOYSA-N 0 0 419.529 2.593 50 0 HFAARN COC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC000003448939 568905043 /nfs/dbraw/zinc/90/50/43/568905043.db2.gz OMPZIOFQKYWTFH-UHFFFAOYSA-N 0 0 421.471 2.844 50 0 HFAARN O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000003449504 568905279 /nfs/dbraw/zinc/90/52/79/568905279.db2.gz HUUXCCNQKCTRJX-UHFFFAOYSA-N 0 0 424.400 2.997 50 0 HFAARN O=C(COC(=O)c1ccc(F)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003449970 568905284 /nfs/dbraw/zinc/90/52/84/568905284.db2.gz WJRCKUZDPVHNAD-UHFFFAOYSA-N 0 0 408.769 2.755 50 0 HFAARN Cc1cccc(NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c1C ZINC000003458963 568906687 /nfs/dbraw/zinc/90/66/87/568906687.db2.gz ZCBIJZWRHGNIQR-FQEVSTJZSA-N 0 0 419.481 2.992 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccccc3)cc2)NC(=O)N[C@H]1C ZINC000012689897 568908118 /nfs/dbraw/zinc/90/81/18/568908118.db2.gz CQJOMUWYVIZRCZ-HNNXBMFYSA-N 0 0 424.453 2.941 50 0 HFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000012686138 568908237 /nfs/dbraw/zinc/90/82/37/568908237.db2.gz QDNYCHWPQDVREP-UHFFFAOYSA-N 0 0 420.450 2.930 50 0 HFAARN C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(F)cc1 ZINC000003498712 568909992 /nfs/dbraw/zinc/90/99/92/568909992.db2.gz FRMKMTVTWWCQMQ-DJJJIMSYSA-N 0 0 408.433 2.647 50 0 HFAARN O=C(NCCc1ccncc1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263615137 568910056 /nfs/dbraw/zinc/91/00/56/568910056.db2.gz ATLOQZVCGYWHTB-UHFFFAOYSA-N 0 0 401.466 2.975 50 0 HFAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 ZINC000003506104 568910821 /nfs/dbraw/zinc/91/08/21/568910821.db2.gz JKOLZDFCOZLOTK-UHFFFAOYSA-N 0 0 409.515 2.980 50 0 HFAARN Cc1cc(NC(=O)COc2ccccc2)n(CCOC(=O)COc2ccccc2)n1 ZINC000003515790 568911583 /nfs/dbraw/zinc/91/15/83/568911583.db2.gz JATHKTCMPLLWCO-UHFFFAOYSA-N 0 0 409.442 2.831 50 0 HFAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(OC)cc4OC)c3CO2)cc1 ZINC000263617934 568911682 /nfs/dbraw/zinc/91/16/82/568911682.db2.gz QMKRAOPHMDDGNC-HXUWFJFHSA-N 0 0 424.457 2.505 50 0 HFAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 ZINC000263618426 568911840 /nfs/dbraw/zinc/91/18/40/568911840.db2.gz SXUOVOKXJXOFAK-SFHVURJKSA-N 0 0 400.385 2.766 50 0 HFAARN Cc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1NC(=O)c1ccco1 ZINC000003519964 568911888 /nfs/dbraw/zinc/91/18/88/568911888.db2.gz SCDUFWRKBDFZBI-UHFFFAOYSA-N 0 0 404.382 2.760 50 0 HFAARN C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003520987 568912117 /nfs/dbraw/zinc/91/21/17/568912117.db2.gz GLYRVBRQPHZHFH-VIFPVBQESA-N 0 0 417.270 2.825 50 0 HFAARN COC(=O)c1ccccc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001321010 568914414 /nfs/dbraw/zinc/91/44/14/568914414.db2.gz POTUPQYQVGKVNM-UHFFFAOYSA-N 0 0 420.450 2.945 50 0 HFAARN COc1ccc(NC(=O)CN2CCN(Cc3ccc(OC)c(F)c3)CC2)c(OC)c1 ZINC000025797249 568915121 /nfs/dbraw/zinc/91/51/21/568915121.db2.gz WHVNARFEZAVPJT-UHFFFAOYSA-N 0 0 417.481 2.608 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000003556231 568915262 /nfs/dbraw/zinc/91/52/62/568915262.db2.gz CNDBRFMUNYZKDN-UHFFFAOYSA-N 0 0 400.500 2.757 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1C ZINC000003557469 568915554 /nfs/dbraw/zinc/91/55/54/568915554.db2.gz HJFXCDMZKRHPIC-UHFFFAOYSA-N 0 0 416.543 2.996 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1C ZINC000004329125 568915704 /nfs/dbraw/zinc/91/57/04/568915704.db2.gz LHSVPVSLYXGUCO-UHFFFAOYSA-N 0 0 400.387 2.561 50 0 HFAARN COc1cc(N[C@H]2CCCN(C(=O)c3csc(NC(C)=O)n3)C2)cc(OC)c1 ZINC000083815592 568917551 /nfs/dbraw/zinc/91/75/51/568917551.db2.gz SQLFWXVHQRCLLY-ZDUSSCGKSA-N 0 0 404.492 2.835 50 0 HFAARN Cn1cc(CCC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cn1 ZINC000012715333 568917992 /nfs/dbraw/zinc/91/79/92/568917992.db2.gz DUCVEEAOXQZXDM-KRWDZBQOSA-N 0 0 400.498 2.827 50 0 HFAARN Cc1ccccc1N(CC(=O)Nc1cccc(OC[C@H]2CCCO2)c1)S(C)(=O)=O ZINC000031264959 568920921 /nfs/dbraw/zinc/92/09/21/568920921.db2.gz ZJORXCXNFMMZFY-LJQANCHMSA-N 0 0 418.515 2.958 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000012729260 568921121 /nfs/dbraw/zinc/92/11/21/568921121.db2.gz YLHFPYSKXINYQU-UHFFFAOYSA-N 0 0 400.859 2.888 50 0 HFAARN COc1ccc(S(=O)(=O)C[C@@](C)(O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001388630 568923046 /nfs/dbraw/zinc/92/30/46/568923046.db2.gz MDBIXRRSCQXUFU-QGZVFWFLSA-N 0 0 417.405 2.877 50 0 HFAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1 ZINC000012737177 568925252 /nfs/dbraw/zinc/92/52/52/568925252.db2.gz NJOFXWCSOUQFSS-UHFFFAOYSA-N 0 0 403.885 2.943 50 0 HFAARN Cc1cc(N2CCN(C(=O)CCCNC(=O)c3ccsc3)CC2)nc(C(C)C)n1 ZINC000031493898 568926896 /nfs/dbraw/zinc/92/68/96/568926896.db2.gz PBJZAOFJWRSTSC-UHFFFAOYSA-N 0 0 415.563 2.829 50 0 HFAARN Cn1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)cn1 ZINC000031517925 568927524 /nfs/dbraw/zinc/92/75/24/568927524.db2.gz DRBHQQOHLCDUEQ-UHFFFAOYSA-N 0 0 403.486 2.564 50 0 HFAARN O[C@@H](COCc1ccccc1F)Cn1nnc(-c2ccc(Br)cc2)n1 ZINC000031561351 568928023 /nfs/dbraw/zinc/92/80/23/568928023.db2.gz MBDBHCMINQRZTQ-OAHLLOKOSA-N 0 0 407.243 2.819 50 0 HFAARN Cc1cccc(C)c1OC[C@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000012741812 568929755 /nfs/dbraw/zinc/92/97/55/568929755.db2.gz BDMKXPGWLUAFAW-GOSISDBHSA-N 0 0 408.433 2.778 50 0 HFAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccccc3F)CC2)nn1-c1ccccc1F ZINC000012744807 568930318 /nfs/dbraw/zinc/93/03/18/568930318.db2.gz CPJNBWMHQDSZIP-UHFFFAOYSA-N 0 0 424.451 2.777 50 0 HFAARN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc2c(c1)CCC2 ZINC000031751957 568930392 /nfs/dbraw/zinc/93/03/92/568930392.db2.gz NXBRFARTHUCPCP-UHFFFAOYSA-N 0 0 418.540 2.566 50 0 HFAARN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(N)=O ZINC000001425834 568930682 /nfs/dbraw/zinc/93/06/82/568930682.db2.gz BVGCIUUKTKDMIS-RQZCQDPDSA-N 0 0 416.430 2.935 50 0 HFAARN CCOC(=O)[C@](O)(c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F ZINC000004016957 568933788 /nfs/dbraw/zinc/93/37/88/568933788.db2.gz HEKWIIVKLVYXGB-QGZVFWFLSA-N 0 0 417.405 2.825 50 0 HFAARN CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@@H]1c1ccc(OC)cc1 ZINC000001424668 568938798 /nfs/dbraw/zinc/93/87/98/568938798.db2.gz MBBXYEPIGVZHCE-QGZVFWFLSA-N 0 0 416.455 2.575 50 0 HFAARN CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000012753020 568941723 /nfs/dbraw/zinc/94/17/23/568941723.db2.gz DYTYVIDKIRKPGS-UHFFFAOYSA-N 0 0 412.508 2.542 50 0 HFAARN C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000012753150 568942321 /nfs/dbraw/zinc/94/23/21/568942321.db2.gz VZIHNONEOMYBSC-CYBMUJFWSA-N 0 0 401.413 2.699 50 0 HFAARN CCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](CC(C)C)C(=O)OC)nc21 ZINC000004092504 568942395 /nfs/dbraw/zinc/94/23/95/568942395.db2.gz QDDJASDSINIJDT-AWEZNQCLSA-N 0 0 415.519 2.795 50 0 biogenic HFAARN O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012754459 568942493 /nfs/dbraw/zinc/94/24/93/568942493.db2.gz SYVOWPALQSPMEO-QHCPKHFHSA-N 0 0 407.514 2.963 50 0 HFAARN O=C(Nc1cccc2c1CCCC2)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000012758033 568943230 /nfs/dbraw/zinc/94/32/30/568943230.db2.gz GVNMDQANELMSIM-UHFFFAOYSA-N 0 0 418.490 2.978 50 0 HFAARN C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000012757688 568943307 /nfs/dbraw/zinc/94/33/07/568943307.db2.gz ZGDIUOUDWAZLKH-ZDUSSCGKSA-N 0 0 417.512 2.861 50 0 HFAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000012758815 568943683 /nfs/dbraw/zinc/94/36/83/568943683.db2.gz QCKBXAOGOQLTHP-UHFFFAOYSA-N 0 0 415.515 2.862 50 0 HFAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)CC ZINC000004121279 568944991 /nfs/dbraw/zinc/94/49/91/568944991.db2.gz YZJMPMWKJQDLRB-UHFFFAOYSA-N 0 0 401.444 2.981 50 0 HFAARN CC[C@]1(C)NC(=O)N(CC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)C1=O ZINC000012760537 568945158 /nfs/dbraw/zinc/94/51/58/568945158.db2.gz FJXILVLMXCFKNP-IBGZPJMESA-N 0 0 402.476 2.786 50 0 HFAARN COc1ccc(-c2nc(SCCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000004139118 568945999 /nfs/dbraw/zinc/94/59/99/568945999.db2.gz PNQIREITALUSQK-UHFFFAOYSA-N 0 0 400.504 2.841 50 0 HFAARN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c(C)c1 ZINC000015535759 568946301 /nfs/dbraw/zinc/94/63/01/568946301.db2.gz AGGXTYHHIMZVNY-UHFFFAOYSA-N 0 0 404.470 2.636 50 0 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/nfs/dbraw/zinc/95/08/29/568950829.db2.gz YAQDJAHSADTGJQ-UHFFFAOYSA-N 0 0 410.411 2.621 50 0 HFAARN O=C(c1ccc2ccccc2c1)N1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000012770757 568951506 /nfs/dbraw/zinc/95/15/06/568951506.db2.gz HYENTCWGJQUVCW-UHFFFAOYSA-N 0 0 415.449 2.769 50 0 HFAARN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012770748 568951521 /nfs/dbraw/zinc/95/15/21/568951521.db2.gz YVLXTDBRINRBRD-FQEVSTJZSA-N 0 0 424.497 2.647 50 0 HFAARN O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000012773453 568952808 /nfs/dbraw/zinc/95/28/08/568952808.db2.gz XBWHJFPJXABHOV-ZDUSSCGKSA-N 0 0 424.320 2.884 50 0 HFAARN Cn1c2nc(N3CCc4ccccc4C3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000004225957 568952814 /nfs/dbraw/zinc/95/28/14/568952814.db2.gz HWSVIWIAYGKSMV-UHFFFAOYSA-N 0 0 415.497 2.619 50 0 HFAARN CS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000015600265 568953972 /nfs/dbraw/zinc/95/39/72/568953972.db2.gz FMCFGYKBIMZWSZ-SFHVURJKSA-N 0 0 401.484 2.980 50 0 HFAARN C[C@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000004249350 568954076 /nfs/dbraw/zinc/95/40/76/568954076.db2.gz PMJCKTFBDKDYAQ-MRXNPFEDSA-N 0 0 407.518 2.734 50 0 HFAARN C[C@H]1Cn2c3c(nc2N(Cc2ccccc2)C1)n(C)c(=O)n(Cc1ccccc1)c3=O ZINC000004249306 568954162 /nfs/dbraw/zinc/95/41/62/568954162.db2.gz ZELLJSGWMYHMSW-QGZVFWFLSA-N 0 0 415.497 2.601 50 0 HFAARN CC(C)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O ZINC000004249278 568954186 /nfs/dbraw/zinc/95/41/86/568954186.db2.gz TWOVHOAKIRLBFN-CYBMUJFWSA-N 0 0 401.898 2.994 50 0 HFAARN CC(C)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O ZINC000004249455 568954257 /nfs/dbraw/zinc/95/42/57/568954257.db2.gz ABASIEQXSZVSPK-ZDUSSCGKSA-N 0 0 401.898 2.994 50 0 HFAARN COc1ccccc1N1C[C@H](C)Cn2c3c(nc21)n(C)c(=O)n(CCC(C)C)c3=O ZINC000004249433 568954306 /nfs/dbraw/zinc/95/43/06/568954306.db2.gz NHOBSUBZHRNHCW-HNNXBMFYSA-N 0 0 411.506 2.739 50 0 HFAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)n1Cc1ccccc1 ZINC000004250877 568955043 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2.602 50 0 HFAARN CCOC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 ZINC000004274507 568958055 /nfs/dbraw/zinc/95/80/55/568958055.db2.gz KBZIHEOBYAOVFF-UHFFFAOYSA-N 0 0 401.488 2.933 50 0 HFAARN CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C(N)=O)C1 ZINC000004275138 568958069 /nfs/dbraw/zinc/95/80/69/568958069.db2.gz YTSIWPHROMVHHE-UHFFFAOYSA-N 0 0 403.529 2.873 50 0 HFAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 ZINC000004275753 568958198 /nfs/dbraw/zinc/95/81/98/568958198.db2.gz OQJYHQVPHBSSOA-GFCCVEGCSA-N 0 0 407.517 2.662 50 0 HFAARN NC(=O)NCc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000012783575 568958990 /nfs/dbraw/zinc/95/89/90/568958990.db2.gz ZSNHUSWJFGFRQZ-UHFFFAOYSA-N 0 0 411.487 2.554 50 0 HFAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000004288513 568959401 /nfs/dbraw/zinc/95/94/01/568959401.db2.gz YQYYBXFIVYLKJL-QHCPKHFHSA-N 0 0 423.469 2.730 50 0 HFAARN COc1ccc2c(c1)C[C@H](C(=O)NCCN1CCN(c3cccc(C)c3C)CC1)CO2 ZINC000059560470 568959660 /nfs/dbraw/zinc/95/96/60/568959660.db2.gz JYVRTCROYORAFR-NRFANRHFSA-N 0 0 423.557 2.802 50 0 HFAARN COc1ccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C(C)C)cc3)c2N)cc1 ZINC000004316248 568962096 /nfs/dbraw/zinc/96/20/96/568962096.db2.gz QVBJDCIJFKNZCN-UHFFFAOYSA-N 0 0 422.489 2.561 50 0 HFAARN Cn1c2nc(NCc3ccccc3)n(CCCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000004317968 568962703 /nfs/dbraw/zinc/96/27/03/568962703.db2.gz OMRYLEWDKCIRPZ-UHFFFAOYSA-N 0 0 405.458 2.505 50 0 HFAARN COc1ccc(OC)c(CCNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)c1 ZINC000015676876 568964852 /nfs/dbraw/zinc/96/48/52/568964852.db2.gz SBAFUKNVQJJQEZ-UHFFFAOYSA-N 0 0 423.444 2.769 50 0 HFAARN COc1ccc(OC)c(CNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)c1 ZINC000015676885 568964978 /nfs/dbraw/zinc/96/49/78/568964978.db2.gz VJBIVKKEYMERNO-UHFFFAOYSA-N 0 0 409.417 2.727 50 0 HFAARN Cc1ccc2nc(COC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)cc(=O)n2c1 ZINC000007989324 568966273 /nfs/dbraw/zinc/96/62/73/568966273.db2.gz FSUVQANLJPOLJR-NRFANRHFSA-N 0 0 407.451 2.675 50 0 HFAARN CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015679429 568966303 /nfs/dbraw/zinc/96/63/03/568966303.db2.gz LHBSWUCGVXUYNG-UHFFFAOYSA-N 0 0 417.937 2.716 50 0 biogenic HFAARN COc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn32)cc1OC ZINC000015678835 568966574 /nfs/dbraw/zinc/96/65/74/568966574.db2.gz ZSBBAEWQWNECEG-UHFFFAOYSA-N 0 0 410.478 2.703 50 0 HFAARN COCCNC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000007990052 568966655 /nfs/dbraw/zinc/96/66/55/568966655.db2.gz GOPQUPUVEXTFDR-UHFFFAOYSA-N 0 0 413.455 2.592 50 0 HFAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4ccccc4C(N)=O)C3)n2)cc1 ZINC000015679000 568966679 /nfs/dbraw/zinc/96/66/79/568966679.db2.gz GULGIVSBILHBKW-HNNXBMFYSA-N 0 0 421.457 2.699 50 0 HFAARN Cc1ccc(-n2ncc3c2nc(SCC(=O)NCc2cccs2)[nH]c3=O)cc1 ZINC000007991082 568967247 /nfs/dbraw/zinc/96/72/47/568967247.db2.gz NHQFIEXCDZQJAR-UHFFFAOYSA-N 0 0 411.512 2.887 50 0 HFAARN Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)n2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008011916 568968108 /nfs/dbraw/zinc/96/81/08/568968108.db2.gz APEGNRNRLCHOEE-GOSISDBHSA-N 0 0 402.454 2.523 50 0 HFAARN COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc21 ZINC000015682438 568968730 /nfs/dbraw/zinc/96/87/30/568968730.db2.gz JHMFJXCLFULZEX-UHFFFAOYSA-N 0 0 420.512 2.716 50 0 HFAARN CC(=O)Nc1ccc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c(F)c1 ZINC000008036467 568969741 /nfs/dbraw/zinc/96/97/41/568969741.db2.gz QHQSDMFUITTWRO-UHFFFAOYSA-N 0 0 415.421 2.648 50 0 HFAARN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1OCC ZINC000008056663 568970902 /nfs/dbraw/zinc/97/09/02/568970902.db2.gz JGLCVQPSAZTURS-UHFFFAOYSA-N 0 0 410.467 2.882 50 0 HFAARN COc1ccc(OC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000008073312 568971745 /nfs/dbraw/zinc/97/17/45/568971745.db2.gz HLSWNLODKBXIQU-HUUCEWRRSA-N 0 0 405.472 2.712 50 0 HFAARN Cc1cc(=O)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)nn1-c1ccccc1F ZINC000008074073 568971892 /nfs/dbraw/zinc/97/18/92/568971892.db2.gz IGAAHGKWPMMFRN-UHFFFAOYSA-N 0 0 406.417 2.825 50 0 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/nfs/dbraw/zinc/97/67/29/568976729.db2.gz UOKFERTUWQPSOT-UHFFFAOYSA-N 0 0 400.529 2.712 50 0 HFAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)C2=O)cc1 ZINC000004305221 568977030 /nfs/dbraw/zinc/97/70/30/568977030.db2.gz BJUBAPFNYHIYNC-ORAYPTAESA-N 0 0 411.424 2.951 50 0 HFAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000004305351 568977033 /nfs/dbraw/zinc/97/70/33/568977033.db2.gz GUHMKMFWJYFYMF-SFHVURJKSA-N 0 0 419.437 2.867 50 0 HFAARN O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 ZINC000004305223 568977066 /nfs/dbraw/zinc/97/70/66/568977066.db2.gz DIUJSYVJICRFBV-NRFANRHFSA-N 0 0 421.472 2.998 50 0 HFAARN COc1cccc(OC)c1C(=O)NC(=S)NN1CCCC[C@@H]1c1cccnc1 ZINC000001442195 568978002 /nfs/dbraw/zinc/97/80/02/568978002.db2.gz BHLJECARPHWWFW-OAHLLOKOSA-N 0 0 400.504 2.845 50 0 biogenic HFAARN CCn1nnnc1SCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000008156494 568978009 /nfs/dbraw/zinc/97/80/09/568978009.db2.gz OSCAZSYEWQFGJV-UHFFFAOYSA-N 0 0 417.516 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568986485 /nfs/dbraw/zinc/98/64/85/568986485.db2.gz HUDOFHGWCRLRRS-OXQOHEQNSA-N 0 0 412.394 2.885 50 0 HFAARN COc1ccc(CCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1OC ZINC000008276698 568986969 /nfs/dbraw/zinc/98/69/69/568986969.db2.gz XVKCXCTUNFLPOB-UHFFFAOYSA-N 0 0 413.499 2.702 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccn1 ZINC000008289730 568987896 /nfs/dbraw/zinc/98/78/96/568987896.db2.gz OBPALZMRHWWZSJ-UHFFFAOYSA-N 0 0 403.504 2.585 50 0 HFAARN CCCn1c(N)c(-c2csc(Cc3nc4ccccc4s3)n2)c(=O)n(C)c1=O ZINC000008297426 568987976 /nfs/dbraw/zinc/98/79/76/568987976.db2.gz BBJNCPWFZLXHSX-UHFFFAOYSA-N 0 0 413.528 2.863 50 0 HFAARN Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012814887 568989322 /nfs/dbraw/zinc/98/93/22/568989322.db2.gz AQKNRLVBFLVJPP-UHFFFAOYSA-N 0 0 400.500 2.686 50 0 HFAARN O=C(CSc1cccc(C(F)(F)F)c1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000012818613 568990545 /nfs/dbraw/zinc/99/05/45/568990545.db2.gz OTJXZBUNGZJDSL-UHFFFAOYSA-N 0 0 400.422 2.985 50 0 HFAARN 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/nfs/dbraw/zinc/00/14/37/569001437.db2.gz GZOBDSUDSYJUMC-IBGZPJMESA-N 0 0 403.891 2.960 50 0 HFAARN CC[C@]1(c2ccccc2)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O ZINC000008429146 569002491 /nfs/dbraw/zinc/00/24/91/569002491.db2.gz XSYMTRGAOPTXKY-JOCHJYFZSA-N 0 0 417.473 2.863 50 0 HFAARN CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000015781388 569002502 /nfs/dbraw/zinc/00/25/02/569002502.db2.gz MPKNRLJJUWTLIV-UHFFFAOYSA-N 0 0 424.544 2.988 50 0 HFAARN COc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1cccs1 ZINC000008429843 569002897 /nfs/dbraw/zinc/00/28/97/569002897.db2.gz MVTRHLXIVLNAQU-UHFFFAOYSA-N 0 0 406.485 2.861 50 0 HFAARN COc1cccc([C@@H](CNS(=O)(=O)Cc2ccccc2Cl)N2CCOCC2)c1 ZINC000038629725 569003729 /nfs/dbraw/zinc/00/37/29/569003729.db2.gz FYIMIDNRXUOCOL-HXUWFJFHSA-N 0 0 424.950 2.842 50 0 HFAARN O=S(=O)(Cc1cccc(Cl)c1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000038621942 569003752 /nfs/dbraw/zinc/00/37/52/569003752.db2.gz RIJDFLZSBBAKKT-LJQANCHMSA-N 0 0 412.914 2.972 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)N1CCC(C)CC1 ZINC000085648536 569005556 /nfs/dbraw/zinc/00/55/56/569005556.db2.gz VNFCDSBEVBNNOB-UHFFFAOYSA-N 0 0 421.567 2.501 50 0 HFAARN C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000012821325 569005609 /nfs/dbraw/zinc/00/56/09/569005609.db2.gz YFGDMADCRWCFNH-NSHDSACASA-N 0 0 407.542 2.939 50 0 HFAARN Cc1ccc(-n2nc(N3CCCN(C(=O)Cc4cccs4)CC3)ccc2=O)cc1 ZINC000085654059 569006130 /nfs/dbraw/zinc/00/61/30/569006130.db2.gz AQXZRQUOEBNIDA-UHFFFAOYSA-N 0 0 408.527 2.884 50 0 HFAARN O=C(Cc1cccs1)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000085654680 569006453 /nfs/dbraw/zinc/00/64/53/569006453.db2.gz HFKWJUXPIXOCRC-UHFFFAOYSA-N 0 0 414.918 2.839 50 0 HFAARN COc1ccc2nc(NC(=O)Cn3cnc4nc5c(cc4c3=O)CCCC5)sc2c1 ZINC000015785978 569006772 /nfs/dbraw/zinc/00/67/72/569006772.db2.gz WAXRZBWQKTYUPV-UHFFFAOYSA-N 0 0 421.482 2.927 50 0 HFAARN O=C(NCCc1cccs1)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000085690740 569006849 /nfs/dbraw/zinc/00/68/49/569006849.db2.gz LSXYVQDZNSBFTQ-HNNXBMFYSA-N 0 0 409.515 2.744 50 0 HFAARN COc1ccc(CN2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)cc1C ZINC000104304747 569008198 /nfs/dbraw/zinc/00/81/98/569008198.db2.gz UGMFEBWAPWNEKQ-HXUWFJFHSA-N 0 0 408.546 2.959 50 0 HFAARN COc1ccc(-c2n[nH]cc2C(=O)N2C[C@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)cc1OC ZINC000583652877 569009319 /nfs/dbraw/zinc/00/93/19/569009319.db2.gz HFVRIMPWYHIAII-UWWQBHOKSA-N 0 0 424.501 2.567 50 0 biogenic HFAARN COCCNC(=O)CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000085876964 569009694 /nfs/dbraw/zinc/00/96/94/569009694.db2.gz PIHXNHMLEIZINN-UHFFFAOYSA-N 0 0 416.481 2.727 50 0 biogenic HFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 ZINC000015810491 569010083 /nfs/dbraw/zinc/01/00/83/569010083.db2.gz IIYXJJBOEZUMKX-UHFFFAOYSA-N 0 0 402.451 2.950 50 0 HFAARN C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(C(F)(F)F)n2C)CC1 ZINC000012849236 569010216 /nfs/dbraw/zinc/01/02/16/569010216.db2.gz PJLZFGWEOSMIQS-CYBMUJFWSA-N 0 0 413.469 2.831 50 0 HFAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000012852462 569010535 /nfs/dbraw/zinc/01/05/35/569010535.db2.gz AAANJKBQTRRYEL-UHFFFAOYSA-N 0 0 402.472 2.771 50 0 HFAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012854139 569010613 /nfs/dbraw/zinc/01/06/13/569010613.db2.gz KZQAACSMIQLTOO-UHFFFAOYSA-N 0 0 414.405 2.956 50 0 HFAARN COc1ccccc1-c1noc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c21 ZINC000015822011 569010791 /nfs/dbraw/zinc/01/07/91/569010791.db2.gz HKCJFNQTHUPELK-UHFFFAOYSA-N 0 0 405.414 2.849 50 0 HFAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000015822896 569010922 /nfs/dbraw/zinc/01/09/22/569010922.db2.gz ODOFPTDBODXEGG-UHFFFAOYSA-N 0 0 406.529 2.837 50 0 HFAARN COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)NC1CC1 ZINC000012864498 569012023 /nfs/dbraw/zinc/01/20/23/569012023.db2.gz NQUZXNHCDXUURK-LLVKDONJSA-N 0 0 410.442 2.905 50 0 HFAARN CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 ZINC000015843254 569014001 /nfs/dbraw/zinc/01/40/01/569014001.db2.gz OQHGQXFMWIRVSH-UHFFFAOYSA-N 0 0 400.456 2.844 50 0 HFAARN O=C(CCc1nc2ccccc2oc1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012879426 569014289 /nfs/dbraw/zinc/01/42/89/569014289.db2.gz KXAKUFIFSZTLAS-UHFFFAOYSA-N 0 0 418.453 2.627 50 0 HFAARN COc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)c(OC)c1 ZINC000015858279 569014748 /nfs/dbraw/zinc/01/47/48/569014748.db2.gz KXVCITWKYMBPBV-UHFFFAOYSA-N 0 0 424.862 2.676 50 0 HFAARN CCN(CC)c1ccc(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)cc1 ZINC000015858563 569014865 /nfs/dbraw/zinc/01/48/65/569014865.db2.gz FFVSLQOKUIYNNC-UHFFFAOYSA-N 0 0 401.488 2.852 50 0 HFAARN COc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)N1CCOCC1 ZINC000006152358 569015213 /nfs/dbraw/zinc/01/52/13/569015213.db2.gz FHFZXDYYUXSXEX-UHFFFAOYSA-N 0 0 404.850 2.839 50 0 HFAARN COc1ccc2c(CC(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)coc2c1 ZINC000006156489 569015443 /nfs/dbraw/zinc/01/54/43/569015443.db2.gz ULBYCANEBWKVFR-CYBMUJFWSA-N 0 0 411.410 2.961 50 0 HFAARN O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N(C1=CCCCC1)C1CC1 ZINC000035269291 569015733 /nfs/dbraw/zinc/01/57/33/569015733.db2.gz MDRNDDBJVTXVFU-UHFFFAOYSA-N 0 0 409.577 2.503 50 0 HFAARN CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1nccs1)C(=O)CS2 ZINC000015862758 569015987 /nfs/dbraw/zinc/01/59/87/569015987.db2.gz ZKOWSEAVOGAZCA-UHFFFAOYSA-N 0 0 404.517 2.703 50 0 HFAARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2)c1O ZINC000005530159 569019601 /nfs/dbraw/zinc/01/96/01/569019601.db2.gz GKJGFJJPLKUNTR-PDGQHHTCSA-N 0 0 416.437 2.654 50 0 HFAARN O=C(c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000015884019 569019798 /nfs/dbraw/zinc/01/97/98/569019798.db2.gz HTUALJAWBVHSAM-UHFFFAOYSA-N 0 0 419.876 2.826 50 0 HFAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1=O ZINC000012892355 569019999 /nfs/dbraw/zinc/01/99/99/569019999.db2.gz WTHUXVXQFDPZHM-AEFFLSMTSA-N 0 0 411.527 2.642 50 0 HFAARN O=C(NCCCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012892022 569020046 /nfs/dbraw/zinc/02/00/46/569020046.db2.gz YVHJWGBBLNZTMU-UHFFFAOYSA-N 0 0 421.950 2.989 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012894632 569020170 /nfs/dbraw/zinc/02/01/70/569020170.db2.gz VIEXSGYCILWFRV-UHFFFAOYSA-N 0 0 418.302 2.745 50 0 HFAARN CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012895982 569020288 /nfs/dbraw/zinc/02/02/88/569020288.db2.gz QVVZSJVXKJSLPC-AWEZNQCLSA-N 0 0 411.433 2.544 50 0 HFAARN Cc1csc(=O)n1CC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012897357 569020340 /nfs/dbraw/zinc/02/03/40/569020340.db2.gz YVBVIMZULZVAEQ-UHFFFAOYSA-N 0 0 420.494 2.684 50 0 HFAARN NC(=O)N[C@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000012898716 569020465 /nfs/dbraw/zinc/02/04/65/569020465.db2.gz URYGRTJLRUAFGO-MRXNPFEDSA-N 0 0 403.866 2.570 50 0 HFAARN CC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000012898952 569020470 /nfs/dbraw/zinc/02/04/70/569020470.db2.gz QHECSFUCXPSZBJ-UHFFFAOYSA-N 0 0 402.516 2.965 50 0 HFAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(O)cc1 ZINC000012898773 569020474 /nfs/dbraw/zinc/02/04/74/569020474.db2.gz STNXIRNPWCRJCE-UHFFFAOYSA-N 0 0 407.470 2.566 50 0 biogenic HFAARN Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012900341 569020673 /nfs/dbraw/zinc/02/06/73/569020673.db2.gz WFCUVBRAMKWHQS-GFCCVEGCSA-N 0 0 418.302 2.875 50 0 HFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012905915 569021187 /nfs/dbraw/zinc/02/11/87/569021187.db2.gz MDKXZDUHVYJFRO-UHFFFAOYSA-N 0 0 419.268 2.618 50 0 HFAARN O=C(CCN1C(=O)CSc2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000012908191 569021533 /nfs/dbraw/zinc/02/15/33/569021533.db2.gz IXDFQMFFJLJJOR-UHFFFAOYSA-N 0 0 405.426 2.549 50 0 HFAARN CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012912103 569021816 /nfs/dbraw/zinc/02/18/16/569021816.db2.gz VXSFOAXAYBUJCL-UHFFFAOYSA-N 0 0 411.321 2.938 50 0 HFAARN C[C@@H](NC(=O)c1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000012911328 569021932 /nfs/dbraw/zinc/02/19/32/569021932.db2.gz OBWBTVFRJXSJNK-OAHLLOKOSA-N 0 0 419.481 2.977 50 0 HFAARN CN(CC(=O)N1CCCC1)CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012911137 569021935 /nfs/dbraw/zinc/02/19/35/569021935.db2.gz IQDHWKVPLWHDPI-INIZCTEOSA-N 0 0 400.548 2.557 50 0 HFAARN Cc1cccc2c(=O)n(CCC(=O)NCC(=O)Nc3cccc(Cl)c3C)cnc12 ZINC000012914094 569022087 /nfs/dbraw/zinc/02/20/87/569022087.db2.gz JTNALUBSKNTQEJ-UHFFFAOYSA-N 0 0 412.877 2.812 50 0 HFAARN CSc1nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=S)s1 ZINC000012914957 569022202 /nfs/dbraw/zinc/02/22/02/569022202.db2.gz UOKPHVFVKIRJBV-UHFFFAOYSA-N 0 0 416.619 2.668 50 0 HFAARN COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3c(C)ccc(C)c3C)C2=O)c1 ZINC000012916578 569022306 /nfs/dbraw/zinc/02/23/06/569022306.db2.gz CNWKIRQIYVWGCU-WZONZLPQSA-N 0 0 412.486 2.827 50 0 HFAARN Nc1cc(=O)[nH]c(SCC(=O)N(CCc2ccccc2)Cc2cccs2)n1 ZINC000012918951 569022728 /nfs/dbraw/zinc/02/27/28/569022728.db2.gz DTXQOLXJQKHMFG-UHFFFAOYSA-N 0 0 400.529 2.777 50 0 HFAARN CCN(CC)c1nc(O)c(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC000012919606 569022871 /nfs/dbraw/zinc/02/28/71/569022871.db2.gz JYECMGXCVLWHRC-QGZVFWFLSA-N 0 0 416.547 2.981 50 0 HFAARN O=C(CCn1cnc2ccsc2c1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012922163 569023122 /nfs/dbraw/zinc/02/31/22/569023122.db2.gz NGDSHLBBXOAYAO-UHFFFAOYSA-N 0 0 400.504 2.643 50 0 HFAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C(N)=O)c(C)c1C ZINC000012923674 569023401 /nfs/dbraw/zinc/02/34/01/569023401.db2.gz TXSRYHROMGCBPJ-NSHDSACASA-N 0 0 412.515 2.962 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000012928537 569024334 /nfs/dbraw/zinc/02/43/34/569024334.db2.gz NDFYCDBUBBJKAF-UHFFFAOYSA-N 0 0 421.906 2.735 50 0 HFAARN O=S(=O)(NC[C@@](O)(c1ccoc1)c1ccco1)c1ccccc1Br ZINC000575414036 569024973 /nfs/dbraw/zinc/02/49/73/569024973.db2.gz QMBSSTFZCZYATD-MRXNPFEDSA-N 0 0 412.261 2.850 50 0 HFAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cnn(C)c4)c3)cc2)co1 ZINC000575414497 569025056 /nfs/dbraw/zinc/02/50/56/569025056.db2.gz LLVUEMOIRNOVKV-UHFFFAOYSA-N 0 0 409.471 2.924 50 0 HFAARN O=C(CCCNC(=O)c1cnccn1)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000575444041 569028576 /nfs/dbraw/zinc/02/85/76/569028576.db2.gz VEGBOSMRDFOZDH-OAQYLSRUSA-N 0 0 414.469 2.769 50 0 HFAARN O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012943431 569028839 /nfs/dbraw/zinc/02/88/39/569028839.db2.gz GLZVGRDBKKVOHQ-AWEZNQCLSA-N 0 0 402.438 2.895 50 0 HFAARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1C[C@H](O)COCc1ccccc1F ZINC000012943946 569028867 /nfs/dbraw/zinc/02/88/67/569028867.db2.gz SHHOOEQJBMHAKB-SFHVURJKSA-N 0 0 408.433 2.607 50 0 HFAARN Cc1cc(Br)ccc1N1C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)CC1=O ZINC000012945782 569029090 /nfs/dbraw/zinc/02/90/90/569029090.db2.gz CGMUCNDWSWCVAY-ZDUSSCGKSA-N 0 0 416.275 2.848 50 0 HFAARN Cc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012946844 569029201 /nfs/dbraw/zinc/02/92/01/569029201.db2.gz LMRKPOBOQZQINZ-LBPRGKRZSA-N 0 0 405.501 2.827 50 0 HFAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCc1nc2ccccc2s1 ZINC000016165591 569029539 /nfs/dbraw/zinc/02/95/39/569029539.db2.gz MJNDGJOZIZTXQS-UHFFFAOYSA-N 0 0 405.501 2.776 50 0 HFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016311625 569031260 /nfs/dbraw/zinc/03/12/60/569031260.db2.gz BQSCJEBVXPQXFG-NSHDSACASA-N 0 0 413.421 2.743 50 0 HFAARN COc1ccccc1OCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O ZINC000053572965 569031550 /nfs/dbraw/zinc/03/15/50/569031550.db2.gz WVFMCILACBUGNQ-QFIPXVFZSA-N 0 0 412.442 2.703 50 0 HFAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000575610145 569032292 /nfs/dbraw/zinc/03/22/92/569032292.db2.gz TYJGRYYUFPALFN-UHFFFAOYSA-N 0 0 406.343 2.895 50 0 HFAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3cc(C)nc(C)n3)C2)cc1 ZINC000575610708 569032381 /nfs/dbraw/zinc/03/23/81/569032381.db2.gz XLKNXUVKWYMHOP-INIZCTEOSA-N 0 0 420.491 2.504 50 0 HFAARN CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2cccs2)n2cccn2)cc1 ZINC000575612413 569032550 /nfs/dbraw/zinc/03/25/50/569032550.db2.gz AAKUJWFXTRECSJ-KRWDZBQOSA-N 0 0 403.529 2.687 50 0 HFAARN COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](c3ccco3)n3cccn3)n(C)n2)c1 ZINC000575613319 569032659 /nfs/dbraw/zinc/03/26/59/569032659.db2.gz FOQBNDKTJUJCLX-LJQANCHMSA-N 0 0 421.457 2.913 50 0 HFAARN C[C@@H](C(=O)c1c[nH]c2ccccc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000035338930 569033119 /nfs/dbraw/zinc/03/31/19/569033119.db2.gz KXWSLGWBDJKSBW-AOMKIAJQSA-N 0 0 419.481 2.723 50 0 HFAARN CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035374766 569033978 /nfs/dbraw/zinc/03/39/78/569033978.db2.gz FSSWUDMQQDPNJI-RBUKOAKNSA-N 0 0 409.486 2.599 50 0 HFAARN CCc1ccccc1NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000035375532 569033986 /nfs/dbraw/zinc/03/39/86/569033986.db2.gz RBNHJSAJGLWOAE-UHFFFAOYSA-N 0 0 417.513 2.771 50 0 HFAARN Cc1ccc(F)cc1NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000035375535 569034045 /nfs/dbraw/zinc/03/40/45/569034045.db2.gz BAHOYDNYHMNFLV-UHFFFAOYSA-N 0 0 421.476 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/nfs/dbraw/zinc/04/62/75/569046275.db2.gz HQXXKCOKIKHIKM-DOTOQJQBSA-N 0 0 415.490 2.503 50 0 HFAARN CC(C)CN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)NCc1ccccc1 ZINC000006387751 569046375 /nfs/dbraw/zinc/04/63/75/569046375.db2.gz MNPCJOBCYQTMTB-GIJQJNRQSA-N 0 0 411.531 2.665 50 0 HFAARN CCOC(=O)C1=C(CN2CCOCC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035640993 569047028 /nfs/dbraw/zinc/04/70/28/569047028.db2.gz YUNYZPGTOMBSAK-GOSISDBHSA-N 0 0 407.898 2.576 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCCC3)nc2)s1 ZINC000012990245 569047545 /nfs/dbraw/zinc/04/75/45/569047545.db2.gz MWWSLIFWMWEWNZ-INIZCTEOSA-N 0 0 420.560 2.844 50 0 HFAARN Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)cc1 ZINC000012997446 569048341 /nfs/dbraw/zinc/04/83/41/569048341.db2.gz ZUBVUOZSAKARLJ-UHFFFAOYSA-N 0 0 409.515 2.948 50 0 HFAARN COc1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)ccc1OCc1c(C)noc1C ZINC000012999432 569049105 /nfs/dbraw/zinc/04/91/05/569049105.db2.gz YFYJMRMGEIGUFD-UHFFFAOYSA-N 0 0 415.490 2.819 50 0 HFAARN C[C@H]1Oc2ccc(NC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)cc2NC1=O ZINC000013003537 569049376 /nfs/dbraw/zinc/04/93/76/569049376.db2.gz MDHBHVWXDNJIDP-SNVBAGLBSA-N 0 0 424.482 2.764 50 0 HFAARN COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2cc3cc(OC)ccc3n2C)cc1 ZINC000035686250 569050504 /nfs/dbraw/zinc/05/05/04/569050504.db2.gz NOWRWNVGVDLXIW-OAHLLOKOSA-N 0 0 409.486 2.673 50 0 HFAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(NC(N)=O)cc2)ccc1C ZINC000006432794 569050691 /nfs/dbraw/zinc/05/06/91/569050691.db2.gz XKTMSDLEOKYQNX-UHFFFAOYSA-N 0 0 404.492 2.768 50 0 HFAARN COc1cc(C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000013015212 569050762 /nfs/dbraw/zinc/05/07/62/569050762.db2.gz PUVMLMFGLXXGAU-UHFFFAOYSA-N 0 0 402.491 2.527 50 0 HFAARN O=S(=O)(c1cccs1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000013020518 569051075 /nfs/dbraw/zinc/05/10/75/569051075.db2.gz VOPBKRAONXKFST-UHFFFAOYSA-N 0 0 412.558 2.674 50 0 HFAARN CSc1ccc(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)CC2=O)cc1 ZINC000013022099 569051257 /nfs/dbraw/zinc/05/12/57/569051257.db2.gz FBNYLFHCMMFPOQ-CQSZACIVSA-N 0 0 422.510 2.657 50 0 HFAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000104371523 569051716 /nfs/dbraw/zinc/05/17/16/569051716.db2.gz YPWPHHBOMWGVJR-XSFVSMFZSA-N 0 0 418.453 2.840 50 0 HFAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCCC3)o2)cc1 ZINC000006441494 569052828 /nfs/dbraw/zinc/05/28/28/569052828.db2.gz OIDDUVTVOPOIGJ-UHFFFAOYSA-N 0 0 404.492 2.503 50 0 HFAARN Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001787474 569053075 /nfs/dbraw/zinc/05/30/75/569053075.db2.gz FGNWTAWUZANREZ-UHFFFAOYSA-N 0 0 400.818 2.816 50 0 HFAARN COc1ccc([C@H](NC(=O)CCCNC(=O)c2ccsc2)c2nccn2C)cc1 ZINC000016475864 569053582 /nfs/dbraw/zinc/05/35/82/569053582.db2.gz VZAKXJUIDQYSBH-IBGZPJMESA-N 0 0 412.515 2.906 50 0 HFAARN O=C(NCc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000238937420 569053931 /nfs/dbraw/zinc/05/39/31/569053931.db2.gz VFOUTCZPDSNTBM-JCNLHEQBSA-N 0 0 405.495 2.622 50 0 HFAARN 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/nfs/dbraw/zinc/05/87/13/569058713.db2.gz YEGHUNBHCMMUCC-ZDUSSCGKSA-N 0 0 405.545 2.966 50 0 HFAARN Cc1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)c(=O)[nH]3)CC2)cc1C ZINC000035781606 569059330 /nfs/dbraw/zinc/05/93/30/569059330.db2.gz SHNOOFXPNLSLBQ-UHFFFAOYSA-N 0 0 417.513 2.643 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000007941177 569059564 /nfs/dbraw/zinc/05/95/64/569059564.db2.gz NGGIOOZXPKTCRO-UHFFFAOYSA-N 0 0 413.499 2.850 50 0 HFAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc(N)n[nH]2)cc1 ZINC000006489486 569059584 /nfs/dbraw/zinc/05/95/84/569059584.db2.gz KCBNPCUILAKBKH-UHFFFAOYSA-N 0 0 412.475 2.769 50 0 HFAARN C[C@H](C(=O)N1CCCCCC1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000089420140 569060111 /nfs/dbraw/zinc/06/01/11/569060111.db2.gz AGYKNMVHDFIKKK-QGZVFWFLSA-N 0 0 406.958 2.687 50 0 HFAARN COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1OC ZINC000000894944 569060252 /nfs/dbraw/zinc/06/02/52/569060252.db2.gz HVIMPSAVGIWBBB-SFHVURJKSA-N 0 0 406.232 2.879 50 0 biogenic HFAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1cnc(N)c(Cl)c1 ZINC000089429415 569060395 /nfs/dbraw/zinc/06/03/95/569060395.db2.gz NBACKBSYBBILIP-HNNXBMFYSA-N 0 0 419.865 2.637 50 0 HFAARN CCOC(=O)c1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1-c1ccccc1OC ZINC000001831283 569060466 /nfs/dbraw/zinc/06/04/66/569060466.db2.gz PWWMZBSGPOUHCQ-UHFFFAOYSA-N 0 0 418.423 2.984 50 0 biogenic HFAARN O=C(NC[C@@H]1CCCO1)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000035807451 569060828 /nfs/dbraw/zinc/06/08/28/569060828.db2.gz CHNVSSCDEGMGJM-OTPBECDQSA-N 0 0 401.466 2.933 50 0 HFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000006497547 569061397 /nfs/dbraw/zinc/06/13/97/569061397.db2.gz MEICPLKIQMTICQ-PRWKNARSSA-N 0 0 421.519 2.981 50 0 HFAARN Cc1ccc(OCc2nc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cs2)cc1 ZINC000054254868 569061563 /nfs/dbraw/zinc/06/15/63/569061563.db2.gz OHQDHMRCAQWSBR-LJQANCHMSA-N 0 0 401.532 2.854 50 0 HFAARN CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000006508807 569061896 /nfs/dbraw/zinc/06/18/96/569061896.db2.gz MUOACNHECQZEHF-NSHDSACASA-N 0 0 417.487 2.561 50 0 HFAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000006510405 569062122 /nfs/dbraw/zinc/06/21/22/569062122.db2.gz PFMPQUVNZXMYSN-UHFFFAOYSA-N 0 0 406.316 2.597 50 0 HFAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCCCC1 ZINC000006527995 569063218 /nfs/dbraw/zinc/06/32/18/569063218.db2.gz CUVRNCRPMUUXOJ-AWEZNQCLSA-N 0 0 415.353 2.862 50 0 HFAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccc(N(C)C)nc1 ZINC000089520847 569063432 /nfs/dbraw/zinc/06/34/32/569063432.db2.gz HPFAGMXKXVOLGZ-UHFFFAOYSA-N 0 0 420.561 2.757 50 0 HFAARN CC(=O)O[C@H](C(=O)Nc1cccc(C)c1)[C@H](OC(C)=O)C(=O)Nc1cccc(C)c1 ZINC000002022839 569064088 /nfs/dbraw/zinc/06/40/88/569064088.db2.gz MKQPWGYVJKRAKL-PMACEKPBSA-N 0 0 412.442 2.744 50 0 HFAARN CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000006549374 569064842 /nfs/dbraw/zinc/06/48/42/569064842.db2.gz VQCAZGIGIKBBEA-CHWSQXEVSA-N 0 0 421.588 2.990 50 0 HFAARN COc1ccccc1N1C[C@H](C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)CC1=O ZINC000006553023 569065496 /nfs/dbraw/zinc/06/54/96/569065496.db2.gz FNVVAEOVWQORSS-IEBWSBKVSA-N 0 0 422.481 2.785 50 0 HFAARN COc1ccccc1N1C[C@@H](C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)CC1=O ZINC000006553025 569065500 /nfs/dbraw/zinc/06/55/00/569065500.db2.gz FNVVAEOVWQORSS-PKOBYXMFSA-N 0 0 422.481 2.785 50 0 HFAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1cccs1 ZINC000006560522 569065766 /nfs/dbraw/zinc/06/57/66/569065766.db2.gz CXKFLRKKPCBNTQ-AWEZNQCLSA-N 0 0 402.538 2.604 50 0 HFAARN CCc1csc2nc(C)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)n12 ZINC000064567007 569067245 /nfs/dbraw/zinc/06/72/45/569067245.db2.gz PTHOARRBVJOQJK-UHFFFAOYSA-N 0 0 403.460 2.905 50 0 HFAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1)C(C)=O ZINC000035947736 569067410 /nfs/dbraw/zinc/06/74/10/569067410.db2.gz ZQNAHSJATSTPDL-JOCHJYFZSA-N 0 0 409.486 2.868 50 0 HFAARN C[C@@H]1c2cccn2CCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000006586424 569067705 /nfs/dbraw/zinc/06/77/05/569067705.db2.gz QIFUSMUIFRKKLC-GFCCVEGCSA-N 0 0 401.410 2.546 50 0 HFAARN C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000006586427 569067707 /nfs/dbraw/zinc/06/77/07/569067707.db2.gz QIFUSMUIFRKKLC-LBPRGKRZSA-N 0 0 401.410 2.546 50 0 HFAARN CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000006587583 569067884 /nfs/dbraw/zinc/06/78/84/569067884.db2.gz FWGOTWRFPPGDDJ-HNNXBMFYSA-N 0 0 405.907 2.913 50 0 HFAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000006583055 569067995 /nfs/dbraw/zinc/06/79/95/569067995.db2.gz JRSSRTPJLKGJDZ-KRWDZBQOSA-N 0 0 409.486 2.762 50 0 HFAARN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCCC1 ZINC000064580446 569068385 /nfs/dbraw/zinc/06/83/85/569068385.db2.gz LYNLDWJUAPGCFO-UHFFFAOYSA-N 0 0 417.531 2.935 50 0 HFAARN CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000064580592 569068504 /nfs/dbraw/zinc/06/85/04/569068504.db2.gz PJLGJKXPWNBVEV-UHFFFAOYSA-N 0 0 423.922 2.981 50 0 HFAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C(=O)[O-])c1 ZINC000064580558 569068583 /nfs/dbraw/zinc/06/85/83/569068583.db2.gz LYYUARLZDWIQBV-UHFFFAOYSA-N 0 0 423.922 2.899 50 0 HFAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCC(C)C)C(C)C)C2)[C@@H](c2ccccc2)NC1=O ZINC000035964231 569069013 /nfs/dbraw/zinc/06/90/13/569069013.db2.gz VRRZDGUSTYJZAE-WOJBJXKFSA-N 0 0 412.534 2.666 50 0 HFAARN Cc1ccc(NC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1F ZINC000064590964 569069260 /nfs/dbraw/zinc/06/92/60/569069260.db2.gz RQLNLGAJJXMIQG-UHFFFAOYSA-N 0 0 413.453 2.805 50 0 HFAARN Cc1cccc(C)c1NC(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C ZINC000064591135 569069302 /nfs/dbraw/zinc/06/93/02/569069302.db2.gz WOLBKXVPQLAZHF-UHFFFAOYSA-N 0 0 409.490 2.974 50 0 HFAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)NCCc1ccccc1 ZINC000064591384 569069306 /nfs/dbraw/zinc/06/93/06/569069306.db2.gz QXDXUPBZUCEFQR-UHFFFAOYSA-N 0 0 419.460 2.701 50 0 HFAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000006600263 569069352 /nfs/dbraw/zinc/06/93/52/569069352.db2.gz JNPQBDMXTKNCER-FQEVSTJZSA-N 0 0 403.841 2.905 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2cccc(OC)c2)C1=O)C3 ZINC000100792933 569069876 /nfs/dbraw/zinc/06/98/76/569069876.db2.gz FNBJGBQAGJYGAP-NRFANRHFSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)NCc1nncn1C1CC1 ZINC000089556295 569070209 /nfs/dbraw/zinc/07/02/09/569070209.db2.gz BANUHCBBGSMSBJ-UHFFFAOYSA-N 0 0 421.505 2.660 50 0 HFAARN Cc1[nH]nc2ncc(NC(=O)CCNC(=O)c3ccc(Br)cc3)cc12 ZINC000089568208 569070348 /nfs/dbraw/zinc/07/03/48/569070348.db2.gz AMQKYUPFQSWWPB-UHFFFAOYSA-N 0 0 402.252 2.787 50 0 HFAARN COc1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1Cl ZINC000004827784 569071515 /nfs/dbraw/zinc/07/15/15/569071515.db2.gz BHIRSHFWGAKQTN-UHFFFAOYSA-N 0 0 410.879 2.956 50 0 HFAARN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccn4C)C3)C2=O)c1OC ZINC000426379604 569072579 /nfs/dbraw/zinc/07/25/79/569072579.db2.gz CSSKVDHBIYKYOH-HSZRJFAPSA-N 0 0 411.502 2.697 50 0 HFAARN Cc1noc(C)c1CN1CCc2c(C(=O)N(C)CCc3ncon3)csc2C1 ZINC000426515449 569073256 /nfs/dbraw/zinc/07/32/56/569073256.db2.gz BHXOXXVMJYIGNP-UHFFFAOYSA-N 0 0 401.492 2.609 50 0 HFAARN CCc1nnc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)o1 ZINC000426550352 569073354 /nfs/dbraw/zinc/07/33/54/569073354.db2.gz DQIXRGJYCSOHJR-UHFFFAOYSA-N 0 0 401.492 2.787 50 0 HFAARN CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O ZINC000006609876 569073539 /nfs/dbraw/zinc/07/35/39/569073539.db2.gz SSBLXEDRCWIMKJ-IBGZPJMESA-N 0 0 422.934 2.564 50 0 HFAARN COc1ccnc(N2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3=O)n1 ZINC000426615165 569073571 /nfs/dbraw/zinc/07/35/71/569073571.db2.gz OTMQQSPOYPUFQE-JOCHJYFZSA-N 0 0 412.490 2.522 50 0 HFAARN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000426707290 569073986 /nfs/dbraw/zinc/07/39/86/569073986.db2.gz WSNJRZLWOQSBAU-CQSZACIVSA-N 0 0 409.490 2.732 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(C2CC2)S(=O)(=O)c2ccccc2)c1C ZINC000035989134 569074404 /nfs/dbraw/zinc/07/44/04/569074404.db2.gz GJCJFBLOFGBEPN-UHFFFAOYSA-N 0 0 404.488 2.844 50 0 HFAARN CCS(=O)(=O)N1CCC(c2ccn3ncc(C(=O)N4CCC(C)CC4)c3c2)CC1 ZINC000064612214 569074432 /nfs/dbraw/zinc/07/44/32/569074432.db2.gz BHYAJXCPNZEJRQ-UHFFFAOYSA-N 0 0 418.563 2.736 50 0 HFAARN Cc1c(C)c2c(OCC(=O)N3CCC(O)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000006624505 569075576 /nfs/dbraw/zinc/07/55/76/569075576.db2.gz OWRGTCNIAMOXMJ-UHFFFAOYSA-N 0 0 415.486 2.876 50 0 biogenic HFAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C2CC2)S(=O)(=O)c2ccccc2)c1C ZINC000036004481 569075908 /nfs/dbraw/zinc/07/59/08/569075908.db2.gz IVHFWFOTUSDRQQ-AWEZNQCLSA-N 0 0 404.488 2.843 50 0 HFAARN COc1cc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000006626980 569076023 /nfs/dbraw/zinc/07/60/23/569076023.db2.gz KNUUOWRYVIYLAM-UHFFFAOYSA-N 0 0 413.426 2.946 50 0 HFAARN COC(=O)c1c(C)c(C(=O)CN(C(C)C)S(=O)(=O)c2ccccc2)c(C)n1C ZINC000036006669 569076160 /nfs/dbraw/zinc/07/61/60/569076160.db2.gz CIFALJOUEWEQBW-UHFFFAOYSA-N 0 0 406.504 2.711 50 0 HFAARN CC[C@H](C)N1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024498 569077632 /nfs/dbraw/zinc/07/76/32/569077632.db2.gz JUYSGSSGCXUYSD-HKUYNNGSSA-N 0 0 407.580 2.731 50 0 HFAARN CC[C@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029099 569078228 /nfs/dbraw/zinc/07/82/28/569078228.db2.gz QKCNVCCZJQJUMS-YOEHRIQHSA-N 0 0 413.971 2.687 50 0 HFAARN CCCCn1c(CCC(=O)NC2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000006647982 569080727 /nfs/dbraw/zinc/08/07/27/569080727.db2.gz KKCRYICQMOVVME-UHFFFAOYSA-N 0 0 417.554 2.868 50 0 HFAARN CCCNC(=O)[C@H]1CN(C(=O)CC(C)C)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044210 569081681 /nfs/dbraw/zinc/08/16/81/569081681.db2.gz XHOXKBDAXSIXAE-IRXDYDNUSA-N 0 0 406.523 2.827 50 0 HFAARN CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(OC)cc(OC)c1 ZINC000064688587 569082244 /nfs/dbraw/zinc/08/22/44/569082244.db2.gz HIKIZXJRAUGTEG-UHFFFAOYSA-N 0 0 418.446 2.507 50 0 biogenic HFAARN O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000006660559 569083714 /nfs/dbraw/zinc/08/37/14/569083714.db2.gz MENUCDSKDQATMS-CJMVGXJBSA-N 0 0 414.458 2.582 50 0 HFAARN COc1ccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)cc1 ZINC000064710144 569084805 /nfs/dbraw/zinc/08/48/05/569084805.db2.gz QNOMIOCLPWQGGZ-UHFFFAOYSA-N 0 0 421.482 2.998 50 0 HFAARN CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N1CCCCC1 ZINC000006672492 569087252 /nfs/dbraw/zinc/08/72/52/569087252.db2.gz BIONNFIPZIWEPQ-INIZCTEOSA-N 0 0 401.536 2.700 50 0 HFAARN Cc1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1 ZINC000036086780 569088148 /nfs/dbraw/zinc/08/81/48/569088148.db2.gz WEOXTSRRXHCWSZ-UHFFFAOYSA-N 0 0 424.888 2.544 50 0 HFAARN CCN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036087994 569088429 /nfs/dbraw/zinc/08/84/29/569088429.db2.gz MKRNKPYHTGUHQC-UHFFFAOYSA-N 0 0 420.513 2.966 50 0 HFAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036088778 569088780 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569201594 /nfs/dbraw/zinc/20/15/94/569201594.db2.gz RJIKGPLNSFCVHA-UHFFFAOYSA-N 0 0 420.469 2.665 50 0 HFAARN C=C1C(N2CCC(NC(=O)C3CCC3)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239192 569203266 /nfs/dbraw/zinc/20/32/66/569203266.db2.gz FDYQPNWKUQHHON-UHFFFAOYSA-N 0 0 401.532 2.849 50 0 HFAARN C=C1C(N2CCCN(C(=O)CC(C)C)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239379 569203357 /nfs/dbraw/zinc/20/33/57/569203357.db2.gz VFROQNMEKIBVMT-UHFFFAOYSA-N 0 0 407.511 2.879 50 0 HFAARN CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)cc1 ZINC000065239981 569203575 /nfs/dbraw/zinc/20/35/75/569203575.db2.gz NVWHTBYIQSODGA-UHFFFAOYSA-N 0 0 410.503 2.867 50 0 HFAARN CCc1nnc(-c2coc(S(=O)(=O)N3CCN(c4ccc(C)cc4)CC3)c2)o1 ZINC000065246572 569205626 /nfs/dbraw/zinc/20/56/26/569205626.db2.gz LXORHBRORLMLCK-UHFFFAOYSA-N 0 0 402.476 2.711 50 0 HFAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(Cl)cc3)C1)C(=O)N2C ZINC000065249399 569205854 /nfs/dbraw/zinc/20/58/54/569205854.db2.gz IWDYSOVTRUARCH-IBGZPJMESA-N 0 0 406.891 2.657 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569209992 /nfs/dbraw/zinc/20/99/92/569209992.db2.gz OJKSPMQVKISJRF-QGZVFWFLSA-N 0 0 417.531 2.763 50 0 HFAARN Cc1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c32)n(CC(F)F)n1 ZINC000036618917 569210455 /nfs/dbraw/zinc/21/04/55/569210455.db2.gz BKDQHDXDRQNJAN-UHFFFAOYSA-N 0 0 401.377 2.954 50 0 HFAARN Cc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000007048214 569211234 /nfs/dbraw/zinc/21/12/34/569211234.db2.gz PDWCJHBLZMZIEL-AWEZNQCLSA-N 0 0 408.487 2.827 50 0 HFAARN O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007050601 569211870 /nfs/dbraw/zinc/21/18/70/569211870.db2.gz LAWIIYWNAZMGIM-UHFFFAOYSA-N 0 0 406.529 2.761 50 0 HFAARN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)[nH]n2)cc1OC ZINC000524729857 569211898 /nfs/dbraw/zinc/21/18/98/569211898.db2.gz MABVJSKHAKNDCR-SIXWZSSISA-N 0 0 424.501 2.567 50 0 biogenic HFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccccc3)C1=O)CC2 ZINC000524732922 569212791 /nfs/dbraw/zinc/21/27/91/569212791.db2.gz 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O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CCN(c2ccccn2)CC1 ZINC000065274471 569215136 /nfs/dbraw/zinc/21/51/36/569215136.db2.gz QAUNPANULIYVJZ-UHFFFAOYSA-N 0 0 402.433 2.893 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccc(C)c(C)c1 ZINC000007060928 569215269 /nfs/dbraw/zinc/21/52/69/569215269.db2.gz HFKSDZBLWYUPJR-UHFFFAOYSA-N 0 0 405.472 2.552 50 0 HFAARN CCOC(=O)CNC(=O)N1CC[C@@H](n2c(-c3ccc(F)cc3)nc3cccnc32)C1 ZINC000065271633 569215389 /nfs/dbraw/zinc/21/53/89/569215389.db2.gz PSIJANVKCMNQSP-MRXNPFEDSA-N 0 0 411.437 2.757 50 0 HFAARN C=C1C(N2CCCN(C(=O)NC(C)(C)C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271984 569215555 /nfs/dbraw/zinc/21/55/55/569215555.db2.gz SUJDXYCAAGTEEK-UHFFFAOYSA-N 0 0 404.536 2.675 50 0 HFAARN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc1 ZINC000007062161 569217002 /nfs/dbraw/zinc/21/70/02/569217002.db2.gz ORIXMJCRFWHPMI-SFHVURJKSA-N 0 0 408.520 2.684 50 0 HFAARN CCOc1ccc(CNC(=O)CN2c3ccc(C)cc3C(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000065306825 569220778 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/nfs/dbraw/zinc/07/37/37/571073737.db2.gz KGCYOLYZQLIGGR-UHFFFAOYSA-N 0 0 407.470 2.709 50 0 HFAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NC(C)(C)C)c(=O)c1CCO ZINC000067301371 571074280 /nfs/dbraw/zinc/07/42/80/571074280.db2.gz YSMQTJQZPIEPSU-UHFFFAOYSA-N 0 0 411.424 2.687 50 0 HFAARN Cc1nc(-c2ccccc2)n(CC(=O)NCc2cccc(Cl)c2)c(=O)c1CCO ZINC000067321125 571077257 /nfs/dbraw/zinc/07/72/57/571077257.db2.gz ACAKSUKGAFWMIY-UHFFFAOYSA-N 0 0 411.889 2.723 50 0 HFAARN CSCc1nc(=O)c2c(C)c(C(=O)NCc3ccc4c(c3)OCO4)sc2[nH]1 ZINC000008548685 571077541 /nfs/dbraw/zinc/07/75/41/571077541.db2.gz DAZYYJCUMJQDML-UHFFFAOYSA-N 0 0 403.485 2.815 50 0 HFAARN CC(C)(C)OC(=O)NC1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1 ZINC000067336568 571080068 /nfs/dbraw/zinc/08/00/68/571080068.db2.gz IXWYPDOGIOINLZ-UHFFFAOYSA-N 0 0 412.494 2.805 50 0 HFAARN COc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)cc1OC ZINC000008588568 571084534 /nfs/dbraw/zinc/08/45/34/571084534.db2.gz NJJKWZROOJYRKO-UHFFFAOYSA-N 0 0 423.444 2.769 50 0 HFAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000008598257 571088514 /nfs/dbraw/zinc/08/85/14/571088514.db2.gz SCJXQISIBOEHLV-AWEZNQCLSA-N 0 0 424.454 2.761 50 0 HFAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000008600928 571090323 /nfs/dbraw/zinc/09/03/23/571090323.db2.gz FLRZCWCIRVYWGI-UHFFFAOYSA-N 0 0 400.909 2.771 50 0 HFAARN CC(C)c1nccn1CCCNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000670472584 571090609 /nfs/dbraw/zinc/09/06/09/571090609.db2.gz KVFADRVIHMALMU-UHFFFAOYSA-N 0 0 404.536 2.892 50 0 HFAARN Cc1nn(CC(=O)NCc2ccccc2Br)c(=O)c2cc3occc3n21 ZINC000008605245 571091751 /nfs/dbraw/zinc/09/17/51/571091751.db2.gz XJAVOGYMMNRSED-UHFFFAOYSA-N 0 0 415.247 2.630 50 0 HFAARN COc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 ZINC000008614859 571095792 /nfs/dbraw/zinc/09/57/92/571095792.db2.gz JGSWBGXVLXHJJK-UHFFFAOYSA-N 0 0 422.510 2.915 50 0 HFAARN O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000670472683 571097515 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414.483 2.943 50 0 HFAARN COc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1S(=O)(=O)N(C)C ZINC000039580306 571133769 /nfs/dbraw/zinc/13/37/69/571133769.db2.gz MBGWVSJVIJYHFC-UHFFFAOYSA-N 0 0 415.471 2.554 50 0 HFAARN COC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000039929795 571134868 /nfs/dbraw/zinc/13/48/68/571134868.db2.gz RJWPIPRLAAUOGE-UHFFFAOYSA-N 0 0 411.483 2.897 50 0 HFAARN CCc1ccc([C@H](NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2cccs2)cc1 ZINC000039990632 571136642 /nfs/dbraw/zinc/13/66/42/571136642.db2.gz XMMQJULDTHWQQE-XLIONFOSSA-N 0 0 406.573 2.635 50 0 HFAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000008890512 571142006 /nfs/dbraw/zinc/14/20/06/571142006.db2.gz XDQGWPAQCLLJTI-OAQYLSRUSA-N 0 0 415.852 2.831 50 0 HFAARN CC(=O)c1c(C)nc(C)nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000040051680 571145535 /nfs/dbraw/zinc/14/55/35/571145535.db2.gz JUOUCFJEWKVQOO-UHFFFAOYSA-N 0 0 400.504 2.863 50 0 HFAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000040059956 571146889 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ZINC000008935793 571163665 /nfs/dbraw/zinc/16/36/65/571163665.db2.gz GMBGWZAFAJNZCH-QFIPXVFZSA-N 0 0 420.494 2.757 50 0 HFAARN O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000008937323 571165005 /nfs/dbraw/zinc/16/50/05/571165005.db2.gz HLEDLEIUSMWNPH-UHFFFAOYSA-N 0 0 422.507 2.834 50 0 HFAARN NC(=O)[C@@H]1CC(C(=O)NCc2ccnc(Oc3ccccc3)c2)=NN1c1ccccc1 ZINC000040110580 571168740 /nfs/dbraw/zinc/16/87/40/571168740.db2.gz DMTBPORVTSBZQS-FQEVSTJZSA-N 0 0 415.453 2.610 50 0 HFAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000040111153 571169541 /nfs/dbraw/zinc/16/95/41/571169541.db2.gz DTAQGMPIFMUJMQ-FQEVSTJZSA-N 0 0 407.455 2.820 50 0 HFAARN O=C(NCCOc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040113575 571171527 /nfs/dbraw/zinc/17/15/27/571171527.db2.gz TWJYIWSRXUISRC-UHFFFAOYSA-N 0 0 412.895 2.916 50 0 HFAARN Cc1cccc(C)c1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040113772 571171554 /nfs/dbraw/zinc/17/15/54/571171554.db2.gz PCYKIEAYULMHKP-UHFFFAOYSA-N 0 0 406.504 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COCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1CC1CCCCC1 ZINC000012246414 558361566 /nfs/dbraw/zinc/36/15/66/558361566.db2.gz RKLHGWKMGSIIGQ-UHFFFAOYSA-N 0 0 400.523 2.900 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2=O)cc1 ZINC000020426606 558362088 /nfs/dbraw/zinc/36/20/88/558362088.db2.gz WUPDBXUUQPERLQ-WKOQKXSESA-N 0 0 419.525 2.906 50 0 HFAARN Cc1nc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cn1C ZINC000020432029 558362669 /nfs/dbraw/zinc/36/26/69/558362669.db2.gz MLUMXKRBSGKSFW-UHFFFAOYSA-N 0 0 408.527 2.805 50 0 HFAARN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 ZINC000020450607 558365282 /nfs/dbraw/zinc/36/52/82/558365282.db2.gz JOTRJVXGRKVZBP-ZDUSSCGKSA-N 0 0 401.417 2.699 50 0 HFAARN COC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)NCc2cccnc2)CC1 ZINC000012307958 558376481 /nfs/dbraw/zinc/37/64/81/558376481.db2.gz ISRKEWJPOAKLCJ-UHFFFAOYSA-N 0 0 409.486 2.817 50 0 HFAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000020489573 558377523 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O=C(CCc1ccccc1)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000020717843 558402005 /nfs/dbraw/zinc/40/20/05/558402005.db2.gz RXARNCSBDNCPRX-QGZVFWFLSA-N 0 0 413.905 2.558 50 0 HFAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000020718999 558402260 /nfs/dbraw/zinc/40/22/60/558402260.db2.gz OVRYRHLAXXWCLP-INIZCTEOSA-N 0 0 419.524 2.928 50 0 HFAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1 ZINC000020719903 558402500 /nfs/dbraw/zinc/40/25/00/558402500.db2.gz LYGWYQFLXUHQQB-INIZCTEOSA-N 0 0 409.442 2.813 50 0 HFAARN CCCCC(=O)N[C@@](NC(=O)NCCc1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000012419533 558403182 /nfs/dbraw/zinc/40/31/82/558403182.db2.gz PIEVQTWDOJMFOS-GOSISDBHSA-N 0 0 417.428 2.656 50 0 HFAARN Cn1c2cc(S(=O)(=O)Nc3ccc(C(=O)c4ccncc4)cc3)ccc2oc1=O ZINC000012428025 558403635 /nfs/dbraw/zinc/40/36/35/558403635.db2.gz GLEFRKXHBSNEEM-UHFFFAOYSA-N 0 0 409.423 2.558 50 0 HFAARN COC(=O)[C@H](NC(=O)CSc1nnc2c3ccccc3n(C)c2n1)c1ccccc1 ZINC000012428111 558403714 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558429732 /nfs/dbraw/zinc/42/97/32/558429732.db2.gz NICCRVFYIKCFSW-IBGZPJMESA-N 0 0 404.474 2.526 50 0 HFAARN NC(=O)NCc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000021187043 558433407 /nfs/dbraw/zinc/43/34/07/558433407.db2.gz ALASMLNMJMMHHB-UHFFFAOYSA-N 0 0 406.408 2.836 50 0 HFAARN CCc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000021282640 558434791 /nfs/dbraw/zinc/43/47/91/558434791.db2.gz CYVWNEUHHZKESC-HNNXBMFYSA-N 0 0 418.515 2.518 50 0 HFAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000021496650 558439703 /nfs/dbraw/zinc/43/97/03/558439703.db2.gz BDXCMXVLNCOLHC-ICSRJNTNSA-N 0 0 414.527 2.784 50 0 HFAARN CCCCNc1nc2ccccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012627454 558440361 /nfs/dbraw/zinc/44/03/61/558440361.db2.gz ANLPVEXUQUGEQT-UHFFFAOYSA-N 0 0 409.490 2.826 50 0 HFAARN CCOc1cccc([C@@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c1OC ZINC000012630201 558441622 /nfs/dbraw/zinc/44/16/22/558441622.db2.gz QXCKMOAXNYRLJV-LJQANCHMSA-N 0 0 409.446 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403.523 2.919 50 0 HFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)c3ccncc3)C2)s1 ZINC000072314212 558842433 /nfs/dbraw/zinc/84/24/33/558842433.db2.gz FZZFEWMYQVERJK-RHSMWYFYSA-N 0 0 407.561 2.772 50 0 HFAARN CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000013543540 558842488 /nfs/dbraw/zinc/84/24/88/558842488.db2.gz FRPREFNWYPHUNH-UHFFFAOYSA-N 0 0 418.607 2.645 50 0 HFAARN CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2C)C1 ZINC000072314595 558847473 /nfs/dbraw/zinc/84/74/73/558847473.db2.gz BJSGDWWGAGCCTE-LJQANCHMSA-N 0 0 421.544 2.867 50 0 HFAARN O=C(Nc1ccc(F)cc1F)C1=C(NC[C@H]2CCCO2)c2ccccc2S1(=O)=O ZINC000033026535 558847931 /nfs/dbraw/zinc/84/79/31/558847931.db2.gz YWTCALFOXSDTDK-CYBMUJFWSA-N 0 0 420.437 2.828 50 0 HFAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000019211542 558848483 /nfs/dbraw/zinc/84/84/83/558848483.db2.gz JKUZPKGXDBYTIB-UHFFFAOYSA-N 0 0 420.531 2.527 50 0 HFAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000049546024 558849993 /nfs/dbraw/zinc/84/99/93/558849993.db2.gz KQIMDEBBBHCCQO-UHFFFAOYSA-N 0 0 414.918 2.974 50 0 HFAARN CC(C)N(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)c1ccc(F)cc1 ZINC000060339078 558852079 /nfs/dbraw/zinc/85/20/79/558852079.db2.gz DVQNSQUJDOFHRL-CQSZACIVSA-N 0 0 405.495 2.666 50 0 HFAARN CCOC(=O)C[C@@H]1COCCN1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000019228426 558852969 /nfs/dbraw/zinc/85/29/69/558852969.db2.gz YAVDUDIHXZJAMR-QGZVFWFLSA-N 0 0 402.447 2.591 50 0 HFAARN COc1ccc2cc(CNC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2c1 ZINC000011122824 558853613 /nfs/dbraw/zinc/85/36/13/558853613.db2.gz XTYYRXBXLCEOGO-CMJOXMDJSA-N 0 0 409.486 2.965 50 0 HFAARN Cc1ccc(S(=O)(=O)NN[C@@H]2C3=C(CCCC3)C(=O)N2CCCOC(C)C)cc1 ZINC000004616203 558860169 /nfs/dbraw/zinc/86/01/69/558860169.db2.gz YUUOEMHBIAXFTI-FQEVSTJZSA-N 0 0 421.563 2.632 50 0 HFAARN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000011141137 558865794 /nfs/dbraw/zinc/86/57/94/558865794.db2.gz LQHMUYDEUBXOQQ-YUELXQCFSA-N 0 0 415.877 2.745 50 0 HFAARN CCOC(=O)CSc1nnc(NC(=O)Cc2csc(-c3ccccn3)n2)s1 ZINC000019295259 558865812 /nfs/dbraw/zinc/86/58/12/558865812.db2.gz MYAWPWCRHLKMCT-UHFFFAOYSA-N 0 0 421.529 2.893 50 0 HFAARN Cc1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073434 558867305 /nfs/dbraw/zinc/86/73/05/558867305.db2.gz KBXONKGCANWWAE-UHFFFAOYSA-N 0 0 416.890 2.545 50 0 HFAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCCc1cccc2ccccc21 ZINC000055041912 558870414 /nfs/dbraw/zinc/87/04/14/558870414.db2.gz PNIASGHPYNDAGP-NRFANRHFSA-N 0 0 407.539 2.951 50 0 HFAARN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CSc3ncccn3)C2)CC1 ZINC000055073899 558871434 /nfs/dbraw/zinc/87/14/34/558871434.db2.gz UFOJBGSFYJJNQG-LJQANCHMSA-N 0 0 411.575 2.690 50 0 HFAARN CCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1O ZINC000004660956 558873665 /nfs/dbraw/zinc/87/36/65/558873665.db2.gz AUXZIOWDXVZZEA-UHFFFAOYSA-N 0 0 419.547 2.869 50 0 HFAARN Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)N3CCCC3)c(O)c2c1 ZINC000004668611 558876903 /nfs/dbraw/zinc/87/69/03/558876903.db2.gz VVYJWOQRRJVXMV-UHFFFAOYSA-N 0 0 411.483 2.873 50 0 HFAARN Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019367374 558877039 /nfs/dbraw/zinc/87/70/39/558877039.db2.gz WPIGOXZBBAFBDJ-IBGZPJMESA-N 0 0 418.921 2.935 50 0 HFAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)c1 ZINC000055326066 558879126 /nfs/dbraw/zinc/87/91/26/558879126.db2.gz GLCOSIIFCJBPNU-MRXNPFEDSA-N 0 0 400.450 2.979 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)N3CCCC[C@@H]3C)c(O)c2c1 ZINC000004669943 558880678 /nfs/dbraw/zinc/88/06/78/558880678.db2.gz PLOUCPOLZBNCAJ-AWEZNQCLSA-N 0 0 405.520 2.573 50 0 HFAARN CN1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)CC1 ZINC000055451992 558881482 /nfs/dbraw/zinc/88/14/82/558881482.db2.gz KQHAJBPLQUJGNY-UHFFFAOYSA-N 0 0 407.371 2.942 50 0 HFAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc1OC ZINC000033124852 558883006 /nfs/dbraw/zinc/88/30/06/558883006.db2.gz OQAOZLKDKFPYDH-ZDUSSCGKSA-N 0 0 413.405 2.795 50 0 HFAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000033124883 558883091 /nfs/dbraw/zinc/88/30/91/558883091.db2.gz MDNFZHHFDGUQIL-ZDUSSCGKSA-N 0 0 413.405 2.795 50 0 HFAARN CN(C)C(=O)c1ccc2oc(CN3CCN(C(=O)Nc4ccccc4)CC3)nc2c1 ZINC000033127421 558884373 /nfs/dbraw/zinc/88/43/73/558884373.db2.gz BRVNHJHMFZLDRJ-UHFFFAOYSA-N 0 0 407.474 2.879 50 0 HFAARN COc1cccc(CNC(=O)c2snc3c2ncn(Cc2ccccc2)c3=O)c1 ZINC000033129900 558885666 /nfs/dbraw/zinc/88/56/66/558885666.db2.gz AWRAKSLQRRHXJK-UHFFFAOYSA-N 0 0 406.467 2.840 50 0 HFAARN CCOc1ccc2nc(NC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)sc2c1 ZINC000060364668 558888452 /nfs/dbraw/zinc/88/84/52/558888452.db2.gz ZREQSYICEJFXIB-NSHDSACASA-N 0 0 402.476 2.887 50 0 HFAARN COc1ccccc1-n1c(-c2ccc(C)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000004626215 558890711 /nfs/dbraw/zinc/89/07/11/558890711.db2.gz FZDIJLPGGAWXJM-UHFFFAOYSA-N 0 0 415.453 2.660 50 0 HFAARN COc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072333851 558892259 /nfs/dbraw/zinc/89/22/59/558892259.db2.gz BTCFSNMJTKQQRU-CYBMUJFWSA-N 0 0 403.431 2.755 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000010657307 558893539 /nfs/dbraw/zinc/89/35/39/558893539.db2.gz QEXAQKBXTIKPHF-UHFFFAOYSA-N 0 0 413.459 2.653 50 0 HFAARN C[C@@H](CNC(=O)c1cnnn1-c1ccccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000058005315 558894497 /nfs/dbraw/zinc/89/44/97/558894497.db2.gz UHSNBGRUSJJRJJ-KRWDZBQOSA-N 0 0 424.936 2.861 50 0 HFAARN Cc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)c(C)c1 ZINC000058012999 558895013 /nfs/dbraw/zinc/89/50/13/558895013.db2.gz IHNTWIYQEZAMGF-RDPSFJRHSA-N 0 0 408.498 2.999 50 0 HFAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCCc4ccccc43)CC2)o1 ZINC000058033995 558896483 /nfs/dbraw/zinc/89/64/83/558896483.db2.gz AWQOPPHMMNKGFL-GOSISDBHSA-N 0 0 418.515 2.840 50 0 HFAARN CCn1cc(NC(=O)C2CCN(C(=O)c3ccn(-c4ccc(F)cc4)n3)CC2)cn1 ZINC000058065215 558897516 /nfs/dbraw/zinc/89/75/16/558897516.db2.gz GHLZMHYGZXJHNP-UHFFFAOYSA-N 0 0 410.453 2.719 50 0 HFAARN Cn1c2ccccc2nc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)c1=O ZINC000033171792 558900458 /nfs/dbraw/zinc/90/04/58/558900458.db2.gz NHKSKBLTGIDFGN-UHFFFAOYSA-N 0 0 405.454 2.580 50 0 HFAARN O=C(c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1)N1CCCCCC1 ZINC000033170024 558903265 /nfs/dbraw/zinc/90/32/65/558903265.db2.gz UWVQRNCDNJQLTE-UHFFFAOYSA-N 0 0 418.519 2.927 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN(C)c2ccccc2)c1 ZINC000058166179 558906962 /nfs/dbraw/zinc/90/69/62/558906962.db2.gz WWYNXSIYLGKYLN-KRWDZBQOSA-N 0 0 403.548 2.972 50 0 HFAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(c3ncccn3)CC2)o1 ZINC000058173545 558908609 /nfs/dbraw/zinc/90/86/09/558908609.db2.gz SBRRVCAYLWGKIB-UHFFFAOYSA-N 0 0 403.446 2.812 50 0 HFAARN Cc1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)C(C)C)C2)c(C)n1Cc1ccco1 ZINC000058182911 558910474 /nfs/dbraw/zinc/91/04/74/558910474.db2.gz RHQPLSCLTUNXCD-GOSISDBHSA-N 0 0 421.563 2.926 50 0 HFAARN CCOC(=O)NCCC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000058195702 558910946 /nfs/dbraw/zinc/91/09/46/558910946.db2.gz XLSYINMJXDSOAK-MRXNPFEDSA-N 0 0 411.458 2.837 50 0 HFAARN CCOC(=O)CN(C(=O)CCN1C(=O)CCC1=O)c1ccccc1-c1ccccc1 ZINC000058245473 558914492 /nfs/dbraw/zinc/91/44/92/558914492.db2.gz LPJICLSTDRGOGP-UHFFFAOYSA-N 0 0 408.454 2.789 50 0 HFAARN Cc1ccc(C)c(NC(=O)[C@@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c1 ZINC000033249517 558916343 /nfs/dbraw/zinc/91/63/43/558916343.db2.gz UWGWBDPKTDKXFX-LJQANCHMSA-N 0 0 400.500 2.701 50 0 HFAARN O=C(COCC(=O)Nc1ccc(OCc2ccccc2)cc1)NCc1ccccn1 ZINC000004712022 558917623 /nfs/dbraw/zinc/91/76/23/558917623.db2.gz IUYLKYJPGOGMFX-UHFFFAOYSA-N 0 0 405.454 2.932 50 0 HFAARN CCCCNC(=O)C1(NC(=O)CN2c3ccccc3O[C@H](C)C2=O)CCCCC1 ZINC000058310143 558918876 /nfs/dbraw/zinc/91/88/76/558918876.db2.gz ODWGFDLYHYIWIO-MRXNPFEDSA-N 0 0 401.507 2.536 50 0 HFAARN O=S(=O)(c1cccc(F)c1)N1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000058315767 558919422 /nfs/dbraw/zinc/91/94/22/558919422.db2.gz AMEYIZOJOGMTKK-UHFFFAOYSA-N 0 0 418.469 2.792 50 0 HFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000033251846 558919899 /nfs/dbraw/zinc/91/98/99/558919899.db2.gz YVYSGXZPJBOMMU-GOSISDBHSA-N 0 0 420.462 2.794 50 0 HFAARN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccn2Cc2ccncc2)cc1)n1cncn1 ZINC000058343471 558920767 /nfs/dbraw/zinc/92/07/67/558920767.db2.gz OXZPNXITFZDVHZ-INIZCTEOSA-N 0 0 415.457 2.975 50 0 HFAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3O2)CC1=O ZINC000058358096 558921746 /nfs/dbraw/zinc/92/17/46/558921746.db2.gz HYUUNZPCIKCKLR-HOCLYGCPSA-N 0 0 400.862 2.821 50 0 HFAARN O=C(COC(=O)c1cccn1-c1cccc(I)c1)NC1CC1 ZINC000058391289 558923312 /nfs/dbraw/zinc/92/33/12/558923312.db2.gz WOTHPIDGAWROGP-UHFFFAOYSA-N 0 0 410.211 2.517 50 0 HFAARN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058391582 558923520 /nfs/dbraw/zinc/92/35/20/558923520.db2.gz DTPKIXMMRHOYNT-GJZGRUSLSA-N 0 0 402.436 2.835 50 0 HFAARN O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000058428259 558926190 /nfs/dbraw/zinc/92/61/90/558926190.db2.gz PMJQUEQEICYHHR-UHFFFAOYSA-N 0 0 409.792 2.794 50 0 HFAARN CCOc1cc(C(=O)N2CC(S(=O)(=O)CC(C)C)C2)cc(OCC)c1OCC ZINC000096380130 558928619 /nfs/dbraw/zinc/92/86/19/558928619.db2.gz WDBUIZLILKZOSZ-UHFFFAOYSA-N 0 0 413.536 2.778 50 0 HFAARN CCOC(=O)C1(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CCCCC1 ZINC000058810160 558930322 /nfs/dbraw/zinc/93/03/22/558930322.db2.gz UCBXEBHNQGDRTQ-MRXNPFEDSA-N 0 0 408.442 2.974 50 0 HFAARN Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c(S(=O)(=O)N3CCCC3)c2)o1 ZINC000033052870 558937669 /nfs/dbraw/zinc/93/76/69/558937669.db2.gz UJGMCYCGUHBVLF-UHFFFAOYSA-N 0 0 417.531 2.903 50 0 HFAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1nnc(-c2ccc(F)c(C)c2)n1 ZINC000060166423 558941544 /nfs/dbraw/zinc/94/15/44/558941544.db2.gz KSKBKAWNLPFVNT-UHFFFAOYSA-N 0 0 413.453 2.854 50 0 HFAARN Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000060376665 558942377 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COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N[C@H](C)Cn1ccnc1 ZINC000248014257 559259443 /nfs/dbraw/zinc/25/94/43/559259443.db2.gz SHTLINSDPSNVNV-LFGUQSLTSA-N 0 0 410.518 2.870 50 0 HFAARN O=S(=O)(NCCNc1ccc(Nc2cccnc2)nn1)c1ccccc1Cl ZINC000011796896 559259920 /nfs/dbraw/zinc/25/99/20/559259920.db2.gz ILAZIRFLPJBLBL-UHFFFAOYSA-N 0 0 404.883 2.659 50 0 HFAARN CCOC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1 ZINC000011856915 559262421 /nfs/dbraw/zinc/26/24/21/559262421.db2.gz ONKZSTKVEBPRJS-UHFFFAOYSA-N 0 0 415.442 2.643 50 0 HFAARN COc1ccc2cc(C=C3C(=O)NC(=S)N3C(C)=O)c(N3CCCCC3)nc2c1 ZINC000100769331 559265092 /nfs/dbraw/zinc/26/50/92/559265092.db2.gz FZMWPTPVQSLKBE-WQRHYEAKSA-N 0 0 410.499 2.838 50 0 HFAARN C[C@@H]1CCC[C@H](N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)[C@H]1C ZINC000248147901 559265348 /nfs/dbraw/zinc/26/53/48/559265348.db2.gz IFIRXTQZNUEPRU-ZFMNYDKASA-N 0 0 411.546 2.644 50 0 HFAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000011904647 559266212 /nfs/dbraw/zinc/26/62/12/559266212.db2.gz UFYZSFJZPKOCOJ-UHFFFAOYSA-N 0 0 414.892 2.516 50 0 HFAARN O=C(Cc1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914248 559267445 /nfs/dbraw/zinc/26/74/45/559267445.db2.gz PMJQZKNNGMECQS-AWEZNQCLSA-N 0 0 412.305 2.801 50 0 HFAARN CCCCCCOc1ccc(CO[C@@H]2[C@H]([C@H](O)CO)O[C@H]3OC(C)(C)O[C@@H]23)cc1 ZINC000248265313 559269514 /nfs/dbraw/zinc/26/95/14/559269514.db2.gz NZMUYKFTJGDSLM-TXVWBRJLSA-N 0 0 410.507 2.761 50 0 biogenic HFAARN O=S(=O)(Nc1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000011990883 559269898 /nfs/dbraw/zinc/26/98/98/559269898.db2.gz IRHJNJOKTHLNEE-QGZVFWFLSA-N 0 0 415.920 2.848 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)c1 ZINC000012004139 559270799 /nfs/dbraw/zinc/27/07/99/559270799.db2.gz ILSUHYSVNXTBTP-UHFFFAOYSA-N 0 0 421.862 2.617 50 0 HFAARN CC[C@H](NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C(=O)N(C)C ZINC000426490306 559271787 /nfs/dbraw/zinc/27/17/87/559271787.db2.gz MNRJKSIFAFIVKL-KRWDZBQOSA-N 0 0 404.536 2.508 50 0 HFAARN O=C(NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1cccc([N+](=O)[O-])c1 ZINC000002070321 559274771 /nfs/dbraw/zinc/27/47/71/559274771.db2.gz JTOBIXHGVZBYBU-RIYZIHGNSA-N 0 0 401.425 2.847 50 0 HFAARN C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249688656 559276496 /nfs/dbraw/zinc/27/64/96/559276496.db2.gz IJEUYCKUOGSQPS-KCPJHIHWSA-N 0 0 424.375 2.527 50 0 HFAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(Br)cc1 ZINC000005170975 559287608 /nfs/dbraw/zinc/28/76/08/559287608.db2.gz UDSFCHJVUXTTKK-UHFFFAOYSA-N 0 0 402.248 2.723 50 0 HFAARN COC(=O)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 ZINC000005180193 559289337 /nfs/dbraw/zinc/28/93/37/559289337.db2.gz ZWJKAXLLSSWEDO-PWFSRHFBSA-N 0 0 407.426 2.795 50 0 HFAARN C[C@@H]1CCc2c(sc3nnn(CCCN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 ZINC000005183127 559290085 /nfs/dbraw/zinc/29/00/85/559290085.db2.gz LITNDYPZCUBMIQ-GFCCVEGCSA-N 0 0 408.483 2.664 50 0 HFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000005186796 559290856 /nfs/dbraw/zinc/29/08/56/559290856.db2.gz VIDXMUZHQADPFJ-XKKVQKNISA-N 0 0 406.463 2.666 50 0 HFAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 ZINC000012411164 560211914 /nfs/dbraw/zinc/21/19/14/560211914.db2.gz CACUREABGGTWQA-UHFFFAOYSA-N 0 0 407.426 2.509 50 0 biogenic,in-vitro HFAARN COCc1nnc(NC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)s1 ZINC000061720376 560536564 /nfs/dbraw/zinc/53/65/64/560536564.db2.gz BJSNERRAFKGGJF-SFHVURJKSA-N 0 0 409.471 2.890 50 0 HFAARN COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000005202198 560537538 /nfs/dbraw/zinc/53/75/38/560537538.db2.gz GNXNZBXPTWMSOM-AWEZNQCLSA-N 0 0 415.446 2.648 50 0 HFAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2-c2cccc(F)c2)c1C ZINC000005220089 560544341 /nfs/dbraw/zinc/54/43/41/560544341.db2.gz BVXDLNXBYOBCBZ-NSHDSACASA-N 0 0 403.439 2.896 50 0 HFAARN COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cn(C)c3ccccc13)CC2 ZINC000005231470 560547788 /nfs/dbraw/zinc/54/77/88/560547788.db2.gz FUVZMDRFBREMTE-UHFFFAOYSA-N 0 0 408.454 2.937 50 0 HFAARN CCOC(=O)CCNC(=O)N1CCn2cccc2[C@@H]1c1cc(OC)ccc1OC ZINC000005256346 560552601 /nfs/dbraw/zinc/55/26/01/560552601.db2.gz MZWIANFIUZRNPL-FQEVSTJZSA-N 0 0 401.463 2.573 50 0 HFAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)N1CCc2ccccc21 ZINC000005263993 560553245 /nfs/dbraw/zinc/55/32/45/560553245.db2.gz KSVAWGZKKCDPPU-UHFFFAOYSA-N 0 0 418.522 2.857 50 0 HFAARN CCn1c(COc2ncnc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005268423 560558062 /nfs/dbraw/zinc/55/80/62/560558062.db2.gz ZXYIQPMVHTZTLL-UHFFFAOYSA-N 0 0 411.487 2.829 50 0 HFAARN O=C(c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1 ZINC000000990278 560560620 /nfs/dbraw/zinc/56/06/20/560560620.db2.gz BTOUTEQDNPGICW-UHFFFAOYSA-N 0 0 401.326 2.860 50 0 HFAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)COc3cccc(Cl)c3)CC2)c1 ZINC000005273219 560561260 /nfs/dbraw/zinc/56/12/60/560561260.db2.gz UOIQFHHNTFCCQE-UHFFFAOYSA-N 0 0 422.934 2.869 50 0 HFAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1ccncc1 ZINC000005303555 560562969 /nfs/dbraw/zinc/56/29/69/560562969.db2.gz GCIZEFCYHNVSBI-IBGZPJMESA-N 0 0 417.465 2.858 50 0 HFAARN COc1cc(OC)c(NC(=O)CCCn2nnc3ccccc3c2=O)cc1Cl ZINC000005324121 560564866 /nfs/dbraw/zinc/56/48/66/560564866.db2.gz FMIBGJFLUQTQQC-UHFFFAOYSA-N 0 0 402.838 2.881 50 0 HFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCSc1ccc(Cl)cc1 ZINC000062001375 560565811 /nfs/dbraw/zinc/56/58/11/560565811.db2.gz WOIQRVLDLGONKP-MRXNPFEDSA-N 0 0 403.891 2.689 50 0 biogenic HFAARN Cc1cccc(N2CCN(C(=O)c3snc(C(=O)N4CCCC4)c3N)CC2)c1C ZINC000062006803 560565939 /nfs/dbraw/zinc/56/59/39/560565939.db2.gz KASWZAINWUGAAW-UHFFFAOYSA-N 0 0 413.547 2.541 50 0 HFAARN COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(Br)o4)CC3)nc2c1 ZINC000062012586 560567062 /nfs/dbraw/zinc/56/70/62/560567062.db2.gz UBYFPOQGZOIFRV-UHFFFAOYSA-N 0 0 419.279 2.885 50 0 HFAARN CCc1nn2c(nc(CSc3nnc(-c4ccc(OC)cc4)n3C)cc2=O)s1 ZINC000005321587 560568305 /nfs/dbraw/zinc/56/83/05/560568305.db2.gz BNAJKZMBTLLMSU-UHFFFAOYSA-N 0 0 414.516 2.810 50 0 HFAARN CCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@@H]1c1cc(Cl)ccc1Cl ZINC000005354178 560569352 /nfs/dbraw/zinc/56/93/52/560569352.db2.gz TWKLRKDWDGGYPT-CYBMUJFWSA-N 0 0 412.225 2.697 50 0 biogenic,in-vitro HFAARN COc1cc(-c2ccc(=O)n(CC(=O)NCc3ccc(C)cc3)n2)cc(OC)c1OC ZINC000005409407 560583761 /nfs/dbraw/zinc/58/37/61/560583761.db2.gz BAWWVRIMOQHUHV-UHFFFAOYSA-N 0 0 423.469 2.561 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@@H](C)N1C(=O)c3ccccc3C1=O)CC2 ZINC000005427873 560585804 /nfs/dbraw/zinc/58/58/04/560585804.db2.gz WKXDVFJNRLUXIJ-ZIAGYGMSSA-N 0 0 408.454 2.834 50 0 biogenic HFAARN O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1nnc(-c2ccccc2)o1 ZINC000002645583 560587043 /nfs/dbraw/zinc/58/70/43/560587043.db2.gz PXUVSTZNUGUXBX-UHFFFAOYSA-N 0 0 404.308 2.567 50 0 HFAARN O=C(COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)NC1CCCC1 ZINC000002663285 560587376 /nfs/dbraw/zinc/58/73/76/560587376.db2.gz HTCMTLFUUJIQLZ-UHFFFAOYSA-N 0 0 406.438 2.698 50 0 HFAARN COc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 ZINC000003238965 560590406 /nfs/dbraw/zinc/59/04/06/560590406.db2.gz MLYYAJKGRWILBM-VQHVLOKHSA-N 0 0 408.248 2.966 50 0 HFAARN COc1ccc(CCC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000003279861 560591363 /nfs/dbraw/zinc/59/13/63/560591363.db2.gz NLXCUJYAIOAELH-UHFFFAOYSA-N 0 0 423.469 2.608 50 0 HFAARN COC(=O)CNC(=O)COC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000003280427 560591473 /nfs/dbraw/zinc/59/14/73/560591473.db2.gz XEZLIRZTGVWOQT-UHFFFAOYSA-N 0 0 406.438 2.965 50 0 HFAARN CCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C(N)=O)c1C ZINC000005470730 560593130 /nfs/dbraw/zinc/59/31/30/560593130.db2.gz JHWGYMXPKVKBOH-UHFFFAOYSA-N 0 0 419.503 2.907 50 0 HFAARN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2cccc(F)c2)cc1 ZINC000003341514 560593766 /nfs/dbraw/zinc/59/37/66/560593766.db2.gz SKONXVUHSZWMSN-UHFFFAOYSA-N 0 0 414.433 2.966 50 0 HFAARN COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)CC1=O ZINC000005191339 560625187 /nfs/dbraw/zinc/62/51/87/560625187.db2.gz HRRWYVUZPNVSOH-ZIAGYGMSSA-N 0 0 400.406 2.758 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2NCCO)c1C ZINC000005278831 560625639 /nfs/dbraw/zinc/62/56/39/560625639.db2.gz KGHGRMNKORBEBP-CQSZACIVSA-N 0 0 402.447 2.641 50 0 HFAARN Cc1ccccc1CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000005368053 560626179 /nfs/dbraw/zinc/62/61/79/560626179.db2.gz CNQFIFRNUAYBEH-UHFFFAOYSA-N 0 0 404.557 2.761 50 0 HFAARN CCOC(=O)NC(=O)C(=CNc1cccc(C(F)(F)F)c1)C(=O)NC(=O)OCC ZINC000005585702 560626469 /nfs/dbraw/zinc/62/64/69/560626469.db2.gz NUJKKNFFHFINAI-UHFFFAOYSA-N 0 0 417.340 2.547 50 0 HFAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1cccc2ccccc21 ZINC000005611912 560630351 /nfs/dbraw/zinc/63/03/51/560630351.db2.gz GWBLZRJQDXZCAB-UHFFFAOYSA-N 0 0 415.540 2.909 50 0 HFAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1 ZINC000007969163 560636003 /nfs/dbraw/zinc/63/60/03/560636003.db2.gz ZGXFQDXTCRSHAY-FPYGCLRLSA-N 0 0 408.426 2.638 50 0 HFAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 ZINC000024353399 560638223 /nfs/dbraw/zinc/63/82/23/560638223.db2.gz PCAGBABVKCYPDH-JOCHJYFZSA-N 0 0 424.522 2.588 50 0 HFAARN CCCNC(=O)Cc1csc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 ZINC000008849949 560639943 /nfs/dbraw/zinc/63/99/43/560639943.db2.gz DYYGPBFMEVRHNU-UHFFFAOYSA-N 0 0 406.533 2.901 50 0 HFAARN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1)C2=O ZINC000017838778 560729179 /nfs/dbraw/zinc/72/91/79/560729179.db2.gz VIVUKIQKIPCHHW-KUHUBIRLSA-N 0 0 406.438 2.543 50 0 HFAARN C[C@@H](NC(=O)c1cccc(OCc2cscn2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000017853731 560729560 /nfs/dbraw/zinc/72/95/60/560729560.db2.gz NDWUCNRJWGFUFN-CYBMUJFWSA-N 0 0 417.512 2.861 50 0 HFAARN CC(C)(C)OC(=O)N1CCC(C(=O)OCCCn2c3ccccc3[nH]c2=O)CC1 ZINC000017898899 560730172 /nfs/dbraw/zinc/73/01/72/560730172.db2.gz XCGAUAKOGVTCJB-UHFFFAOYSA-N 0 0 403.479 2.910 50 0 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CCN(Cc1ccc2c(c1)OCCO2)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000048333306 568439419 /nfs/dbraw/zinc/43/94/19/568439419.db2.gz GZIVRIBFKWFIGV-UHFFFAOYSA-N 0 0 407.474 2.829 50 0 HFAARN CCOc1ccc(CCNC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1OCC ZINC000048333975 568439646 /nfs/dbraw/zinc/43/96/46/568439646.db2.gz RIINLGUOPMQUNU-UHFFFAOYSA-N 0 0 409.486 2.897 50 0 HFAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CCO[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000048332514 568440166 /nfs/dbraw/zinc/44/01/66/568440166.db2.gz OAOWDJQEHAFWRI-UTKZUKDTSA-N 0 0 408.564 2.791 50 0 HFAARN CCCN(CCC)S(=O)(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 ZINC000048343252 568440657 /nfs/dbraw/zinc/44/06/57/568440657.db2.gz FBYIGGPJEWOASY-UHFFFAOYSA-N 0 0 421.519 2.846 50 0 HFAARN C[C@@H]1CN(Cc2ccccc2CNC(=O)Cc2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000048359593 568441280 /nfs/dbraw/zinc/44/12/80/568441280.db2.gz OLNWAZBVXVZZQV-QZTJIDSGSA-N 0 0 410.514 2.926 50 0 HFAARN CCCCc1nc(C)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)s1 ZINC000048367388 568442042 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CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccs4)CC3)nn2)cc1 ZINC000049406442 568448924 /nfs/dbraw/zinc/44/89/24/568448924.db2.gz BFTVEDPHNWASTR-UHFFFAOYSA-N 0 0 409.515 2.926 50 0 HFAARN O=c1ccc(S(=O)(=O)N2CCCCC2)cn1Cc1cccc(Br)c1 ZINC000049410378 568449893 /nfs/dbraw/zinc/44/98/93/568449893.db2.gz ZQGYBCUVVAIJIM-UHFFFAOYSA-N 0 0 411.321 2.834 50 0 HFAARN Cc1ccc(N2CN(CC(=O)NC3CCCCC3)S(=O)(=O)c3cccnc32)cc1 ZINC000049411394 568450159 /nfs/dbraw/zinc/45/01/59/568450159.db2.gz DYZZUSFVNADGKC-UHFFFAOYSA-N 0 0 414.531 2.939 50 0 HFAARN COCCNC(=O)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000049544568 568451216 /nfs/dbraw/zinc/45/12/16/568451216.db2.gz HLKXHIOASCTKPT-UHFFFAOYSA-N 0 0 407.243 2.941 50 0 HFAARN O=C(Nc1nc2ccccc2[nH]1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000049546991 568451452 /nfs/dbraw/zinc/45/14/52/568451452.db2.gz QGXOHHJWEHKYMI-SFHVURJKSA-N 0 0 409.515 2.871 50 0 HFAARN COc1ccc(Cc2nnc(NC(=O)c3cnc4scc(C)n4c3=O)s2)cc1 ZINC000049548929 568451713 /nfs/dbraw/zinc/45/17/13/568451713.db2.gz 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O=C(COC1=NS(=O)(=O)c2ccc(F)cc21)Nc1ccc(N2CCCC2)cc1 ZINC000095459608 568619876 /nfs/dbraw/zinc/61/98/76/568619876.db2.gz IBEPNIBPZCFJQP-UHFFFAOYSA-N 0 0 403.435 2.530 50 0 HFAARN CCCCn1c(N)c(N(C)C(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c(=O)[nH]c1=O ZINC000040140513 568621162 /nfs/dbraw/zinc/62/11/62/568621162.db2.gz OTTLWGQSJHMCEW-CQSZACIVSA-N 0 0 416.522 2.647 50 0 HFAARN CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CCN(Cc2csc(C)n2)CC1 ZINC000095467682 568624871 /nfs/dbraw/zinc/62/48/71/568624871.db2.gz FUGSTASMOZMOBF-UHFFFAOYSA-N 0 0 414.535 2.541 50 0 HFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000095468499 568624951 /nfs/dbraw/zinc/62/49/51/568624951.db2.gz JHBRDQMEVFMCGE-MFEFFIJZSA-N 0 0 423.561 2.752 50 0 HFAARN O=C(OCC1CCCCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000095469885 568625999 /nfs/dbraw/zinc/62/59/99/568625999.db2.gz NTSVKZWHUJVZEF-WBVHZDCISA-N 0 0 401.912 2.587 50 0 HFAARN COc1cc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc(OC)c1OC ZINC000095472991 568628249 /nfs/dbraw/zinc/62/82/49/568628249.db2.gz LBILTPFDIIZUPT-CYBMUJFWSA-N 0 0 403.435 2.677 50 0 HFAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000095474726 568629519 /nfs/dbraw/zinc/62/95/19/568629519.db2.gz XIMPZOAHXLCNMN-NHCUHLMSSA-N 0 0 421.497 2.898 50 0 HFAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1OC ZINC000095476011 568630169 /nfs/dbraw/zinc/63/01/69/568630169.db2.gz MNAFNCSCNNPNMY-KRWDZBQOSA-N 0 0 405.476 2.969 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1nc(-c2ccco2)ccc1=O)CC3 ZINC000095476632 568630434 /nfs/dbraw/zinc/63/04/34/568630434.db2.gz ZOVBGODZRFSJLP-UHFFFAOYSA-N 0 0 404.426 2.578 50 0 HFAARN O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1nc2ccccc2[nH]1 ZINC000095476696 568630574 /nfs/dbraw/zinc/63/05/74/568630574.db2.gz YHMFFAZIBRJQHE-HNNXBMFYSA-N 0 0 409.881 2.736 50 0 HFAARN COc1ccc(CCc2nc(NC(=O)Cc3ccc4c(c3)OCCCO4)n[nH]2)cc1 ZINC000095477592 568631309 /nfs/dbraw/zinc/63/13/09/568631309.db2.gz DXTIZMLKGQPIGF-UHFFFAOYSA-N 0 0 408.458 2.941 50 0 HFAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NC3CCCCC3)C2=O)cc1OC ZINC000095479670 568632737 /nfs/dbraw/zinc/63/27/37/568632737.db2.gz QAFCLJOPYQOEIJ-QGZVFWFLSA-N 0 0 417.506 2.600 50 0 HFAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCN4CCOCC4)c(C)c3cc2c1C ZINC000020611927 568637501 /nfs/dbraw/zinc/63/75/01/568637501.db2.gz FHUFRTBXOAPPIN-UHFFFAOYSA-N 0 0 412.486 2.845 50 0 biogenic HFAARN CC[C@H]1CN(C(=O)c2cc3c([nH]2)c(OC)c(OC)cc3OC)C[C@]2(CCOC2)O1 ZINC000225440917 568638238 /nfs/dbraw/zinc/63/82/38/568638238.db2.gz SJFPNEHLGFPUCH-ZSEKCTLFSA-N 0 0 404.463 2.604 50 0 HFAARN CC1(C)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000225443024 568638258 /nfs/dbraw/zinc/63/82/58/568638258.db2.gz ITUBKFWUIJNTPR-OFVILXPXSA-N 0 0 422.525 2.824 50 0 HFAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCS(=O)(=O)C[C@H](C)C3)c12 ZINC000225462810 568640179 /nfs/dbraw/zinc/64/01/79/568640179.db2.gz XDIWDKIDOIEOBM-CYBMUJFWSA-N 0 0 418.563 2.879 50 0 HFAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCS(=O)(=O)C[C@@H](C)C3)c12 ZINC000225462847 568640265 /nfs/dbraw/zinc/64/02/65/568640265.db2.gz XDIWDKIDOIEOBM-ZDUSSCGKSA-N 0 0 418.563 2.879 50 0 HFAARN COc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC000225488906 568642309 /nfs/dbraw/zinc/64/23/09/568642309.db2.gz JMVGDYRQWIQGBI-DOTOQJQBSA-N 0 0 403.276 2.860 50 0 HFAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000020762367 568642731 /nfs/dbraw/zinc/64/27/31/568642731.db2.gz YEZYTFZXAVIDAH-FMEYXAORSA-N 0 0 400.479 2.663 50 0 biogenic HFAARN O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccc(F)cc1 ZINC000020767329 568643188 /nfs/dbraw/zinc/64/31/88/568643188.db2.gz IVGDYZSFNGTZSI-UHFFFAOYSA-N 0 0 404.873 2.674 50 0 HFAARN COc1ccc(Br)c(C(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)c1 ZINC000020853863 568645224 /nfs/dbraw/zinc/64/52/24/568645224.db2.gz WHXLSDXKRRGCAA-UHFFFAOYSA-N 0 0 420.263 2.909 50 0 HFAARN CCOc1ccc(OCC)c(NC(=O)CCc2c(C)nc3nc(CN)nn3c2C)c1 ZINC000020866975 568646718 /nfs/dbraw/zinc/64/67/18/568646718.db2.gz QSWACZRWBMPXTF-UHFFFAOYSA-N 0 0 412.494 2.569 50 0 HFAARN CCOC(=O)c1n[nH]c(C2CCN(C(=O)c3cccn3Cc3cccs3)CC2)n1 ZINC000225530850 568647615 /nfs/dbraw/zinc/64/76/15/568647615.db2.gz JBPOXNPPNSLRRZ-UHFFFAOYSA-N 0 0 413.503 2.913 50 0 HFAARN O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000225564449 568651720 /nfs/dbraw/zinc/65/17/20/568651720.db2.gz GYXXAPHROUXCHU-LJQANCHMSA-N 0 0 422.489 2.669 50 0 HFAARN Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000020995445 568656659 /nfs/dbraw/zinc/65/66/59/568656659.db2.gz AZOOGCBTGOVUHY-XVJNWHFHSA-N 0 0 407.492 2.672 50 0 HFAARN CCOc1ccc(NC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)cc1 ZINC000020996740 568657088 /nfs/dbraw/zinc/65/70/88/568657088.db2.gz QTEHHIDKYNPMFM-UHFFFAOYSA-N 0 0 421.494 2.616 50 0 HFAARN Cn1cccc1[C@@H]1COCCN1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000095943797 568662838 /nfs/dbraw/zinc/66/28/38/568662838.db2.gz DQJKEXVNVPMSLC-HNNXBMFYSA-N 0 0 405.499 2.741 50 0 HFAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)Nc1ccccc1 ZINC000021090180 568664034 /nfs/dbraw/zinc/66/40/34/568664034.db2.gz FSEYLPIWCZCVDI-IBGZPJMESA-N 0 0 413.499 2.860 50 0 HFAARN COc1cccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000021090033 568664111 /nfs/dbraw/zinc/66/41/11/568664111.db2.gz INCBHCWYQQWEAB-SFHVURJKSA-N 0 0 402.472 2.630 50 0 HFAARN O=C(CN1CCN(c2ccccc2O)CC1)NCc1ccccc1OC(F)(F)F ZINC000095946814 568664726 /nfs/dbraw/zinc/66/47/26/568664726.db2.gz VMSSNYWRVRJPED-UHFFFAOYSA-N 0 0 409.408 2.729 50 0 HFAARN CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1OCC ZINC000021108501 568667710 /nfs/dbraw/zinc/66/77/10/568667710.db2.gz CEGTZHMCAVEXFP-UHFFFAOYSA-N 0 0 420.487 2.602 50 0 HFAARN COC(=O)CN1c2ccc(S(=O)(=O)Nc3ccc(F)cc3C)cc2C(C)(C)C1=O ZINC000021112890 568668559 /nfs/dbraw/zinc/66/85/59/568668559.db2.gz RBQVTKZXRGZZDH-UHFFFAOYSA-N 0 0 420.462 2.732 50 0 HFAARN O=C(Cc1cc(Cl)ccc1Cl)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000225742340 568670496 /nfs/dbraw/zinc/67/04/96/568670496.db2.gz GXJZQASIJUPSKH-UHFFFAOYSA-N 0 0 405.347 2.953 50 0 HFAARN COc1ccc2nc(NC(=O)CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)sc2c1 ZINC000021146857 568671035 /nfs/dbraw/zinc/67/10/35/568671035.db2.gz ONSLYNOCZWIWGM-KGLIPLIRSA-N 0 0 410.499 2.524 50 0 biogenic HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)N[C@@H](C)CCc3ccccc3)sc2n1 ZINC000021165450 568674624 /nfs/dbraw/zinc/67/46/24/568674624.db2.gz BIMLOYSXGWAAIJ-HNNXBMFYSA-N 0 0 413.547 2.677 50 0 HFAARN CCn1nnc2cc(C(=O)N[C@@H](CC(=O)OC)c3ccc(OC)cc3OC)ccc21 ZINC000095982778 568675696 /nfs/dbraw/zinc/67/56/96/568675696.db2.gz HURNNPIAFUOLKX-INIZCTEOSA-N 0 0 412.446 2.503 50 0 HFAARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(S(N)(=O)=O)cc3F)nc2c1 ZINC000095993671 568678335 /nfs/dbraw/zinc/67/83/35/568678335.db2.gz HRQPNEMQROKNBZ-KRWDZBQOSA-N 0 0 402.451 2.635 50 0 HFAARN CCn1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)c(=O)c2cc(Cl)ccc21 ZINC000095993601 568678601 /nfs/dbraw/zinc/67/86/01/568678601.db2.gz ZVUTWJYTTAVDLE-LJQANCHMSA-N 0 0 405.926 2.761 50 0 HFAARN O=C(C[C@@H]1COCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1)c1cccs1 ZINC000095996957 568679135 /nfs/dbraw/zinc/67/91/35/568679135.db2.gz MAZWMKPSSNMNSW-CQSZACIVSA-N 0 0 419.480 2.517 50 0 HFAARN Cc1cc2ncn(C[C@@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C ZINC000225835621 568679304 /nfs/dbraw/zinc/67/93/04/568679304.db2.gz AVKXJJPNFZBAAI-UZUQRXQVSA-N 0 0 405.454 2.835 50 0 HFAARN CCOc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)COC)C2)ccc1C ZINC000095998745 568679835 /nfs/dbraw/zinc/67/98/35/568679835.db2.gz LXFDFXFYRFBORU-INIZCTEOSA-N 0 0 400.479 2.722 50 0 HFAARN CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000095998648 568679956 /nfs/dbraw/zinc/67/99/56/568679956.db2.gz QUCDZEZBWBCTCY-KRWDZBQOSA-N 0 0 402.520 2.680 50 0 HFAARN Cc1cc(C)cc(CCC(=O)N2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 ZINC000095998645 568680058 /nfs/dbraw/zinc/68/00/58/568680058.db2.gz BVQIMJNLRNRQJQ-KRWDZBQOSA-N 0 0 404.536 2.737 50 0 HFAARN COc1ccccc1S(=O)(=O)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 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Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 ZINC000003325461 568881048 /nfs/dbraw/zinc/88/10/48/568881048.db2.gz GCIREYQDFHGYPQ-UHFFFAOYSA-N 0 0 400.485 2.850 50 0 HFAARN CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000003333323 568882471 /nfs/dbraw/zinc/88/24/71/568882471.db2.gz WMKAICBQCJULJS-FQEVSTJZSA-N 0 0 422.437 2.692 50 0 HFAARN COCCn1nnc2ccc(NC(=O)[C@@H](Cc3ccccc3)n3cccc3)cc2c1=O ZINC000263587195 568882569 /nfs/dbraw/zinc/88/25/69/568882569.db2.gz DGYHRUXBUIEDDV-OAQYLSRUSA-N 0 0 417.469 2.662 50 0 HFAARN Cc1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000003340437 568883680 /nfs/dbraw/zinc/88/36/80/568883680.db2.gz GBPMHMLRGBVTIH-UHFFFAOYSA-N 0 0 416.499 2.965 50 0 HFAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000012637198 568883743 /nfs/dbraw/zinc/88/37/43/568883743.db2.gz IEOQBSQIKXANRG-INIZCTEOSA-N 0 0 423.498 2.756 50 0 HFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nc(-c3ccsc3)no2)cc1 ZINC000058085042 568883848 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NC(=O)[C@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000003356474 568886943 /nfs/dbraw/zinc/88/69/43/568886943.db2.gz OTBBVXDCAZEIQM-NVXWUHKLSA-N 0 0 417.494 2.845 50 0 HFAARN Cc1cc(C)n2nc(SCC(=O)NC(=O)CCSc3ccccc3)nc2n1 ZINC000003374495 568891094 /nfs/dbraw/zinc/89/10/94/568891094.db2.gz RAYZONQRNIQPTH-UHFFFAOYSA-N 0 0 401.517 2.658 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000003379846 568892174 /nfs/dbraw/zinc/89/21/74/568892174.db2.gz BFTYHSGRBYNHGX-UHFFFAOYSA-N 0 0 404.488 2.668 50 0 HFAARN CCn1c2ccccc2c2nnc(SCC(=O)NC(=O)NCc3ccco3)nc21 ZINC000003383960 568893092 /nfs/dbraw/zinc/89/30/92/568893092.db2.gz FILPJEFYPICNCR-UHFFFAOYSA-N 0 0 410.459 2.711 50 0 HFAARN CCCN(C)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000058158292 568893831 /nfs/dbraw/zinc/89/38/31/568893831.db2.gz RETTYOIYLHAQGK-LJQANCHMSA-N 0 0 400.567 2.692 50 0 HFAARN CCCCCn1c(S[C@@H](C)C(=O)NC(N)=O)nc2sc3c(c2c1=O)CCC3 ZINC000003402534 568896750 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HFAARN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCCNC(=O)C(C)(C)C ZINC000058245322 568905514 /nfs/dbraw/zinc/90/55/14/568905514.db2.gz KRMZPKGIIDCHHY-UHFFFAOYSA-N 0 0 424.441 2.870 50 0 HFAARN NC(=O)COc1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)c1 ZINC000030988699 568907706 /nfs/dbraw/zinc/90/77/06/568907706.db2.gz XEUMZSXCUJXOOI-UHFFFAOYSA-N 0 0 403.232 2.728 50 0 HFAARN NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl ZINC000003498139 568909890 /nfs/dbraw/zinc/90/98/90/568909890.db2.gz LGCJBTNTHKFQKO-UHFFFAOYSA-N 0 0 421.233 2.575 50 0 HFAARN CCOc1ccccc1CNC(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 ZINC000263615790 568910503 /nfs/dbraw/zinc/91/05/03/568910503.db2.gz FFSNLNVWASSKLD-FQEVSTJZSA-N 0 0 408.458 2.887 50 0 HFAARN COc1ccccc1[C@@H]1NC(=O)N(Cc2ncc(C)c(OC)c2C)C2=C1C(=O)OC2 ZINC000263616205 568910775 /nfs/dbraw/zinc/91/07/75/568910775.db2.gz HPTLMKZDHIGBIV-IBGZPJMESA-N 0 0 409.442 2.793 50 0 HFAARN COc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1OC ZINC000263616687 568911081 /nfs/dbraw/zinc/91/10/81/568911081.db2.gz KAWYDDKYIJHTIY-IBGZPJMESA-N 0 0 412.421 2.636 50 0 HFAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000003516463 568911706 /nfs/dbraw/zinc/91/17/06/568911706.db2.gz KYPZXCDXLYCAKV-CYBMUJFWSA-N 0 0 416.430 2.763 50 0 HFAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)NCCc1ccc(Cl)cc1 ZINC000003519666 568911921 /nfs/dbraw/zinc/91/19/21/568911921.db2.gz DSEMQWVZUFERMP-UHFFFAOYSA-N 0 0 419.913 2.826 50 0 HFAARN O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000217790114 568912067 /nfs/dbraw/zinc/91/20/67/568912067.db2.gz JIGONUQZQYJZTO-INIZCTEOSA-N 0 0 420.487 2.951 50 0 HFAARN O=C(N1CCN(c2nccn3nc4c(c23)CCCC4)CC1)C1(c2ccccc2)CC1 ZINC000263619525 568912659 /nfs/dbraw/zinc/91/26/59/568912659.db2.gz ZCAVCANOCANWPY-UHFFFAOYSA-N 0 0 401.514 2.989 50 0 HFAARN COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(OC)c(OC)c4)ccn3n2)c1 ZINC000263619476 568912692 /nfs/dbraw/zinc/91/26/92/568912692.db2.gz YVHRYEYIPBTNLC-HXUWFJFHSA-N 0 0 421.453 2.922 50 0 HFAARN Cc1nc(C(=O)NCCc2cc(F)cc3c2OCOC3)nn1-c1ccc(F)cc1 ZINC000052900895 568912955 /nfs/dbraw/zinc/91/29/55/568912955.db2.gz XAPDXQRJQXHGBP-UHFFFAOYSA-N 0 0 400.385 2.693 50 0 HFAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C ZINC000003531972 568913217 /nfs/dbraw/zinc/91/32/17/568913217.db2.gz FSNZIHKIOIUBHQ-UHFFFAOYSA-N 0 0 418.247 2.962 50 0 HFAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NC(=O)NC1CCCCC1 ZINC000003559076 568915656 /nfs/dbraw/zinc/91/56/56/568915656.db2.gz JAQWRUXQRICUKJ-UHFFFAOYSA-N 0 0 410.470 2.624 50 0 HFAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc(Br)cc1 ZINC000012699156 568916868 /nfs/dbraw/zinc/91/68/68/568916868.db2.gz SDNBVUCYKKTXKK-IBGZPJMESA-N 0 0 415.243 2.862 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccc3F)c2)C[C@H](C)O1 ZINC000012700240 568916954 /nfs/dbraw/zinc/91/69/54/568916954.db2.gz JFSFRPJVUCXQJJ-GASCZTMLSA-N 0 0 406.479 2.554 50 0 HFAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](Cc1ccccc1)C(=O)OC ZINC000083839990 568918288 /nfs/dbraw/zinc/91/82/88/568918288.db2.gz FHCAJSQWQARUNZ-KRWDZBQOSA-N 0 0 419.528 2.580 50 0 HFAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccccc1 ZINC000003595530 568918466 /nfs/dbraw/zinc/91/84/66/568918466.db2.gz QKQMYBJFEIEBFO-FQEVSTJZSA-N 0 0 403.385 2.718 50 0 HFAARN O=C1CCSc2ccc(S(=O)(=O)NCc3[nH]nc4c3CCCCC4)cc2N1 ZINC000670448116 568918884 /nfs/dbraw/zinc/91/88/84/568918884.db2.gz GOLLIDKSPNDFCA-UHFFFAOYSA-N 0 0 406.533 2.591 50 0 HFAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)NCc2ccccc2Cl)c3=O)cc1 ZINC000004165849 568918958 /nfs/dbraw/zinc/91/89/58/568918958.db2.gz AYPCUSPYCWIEDU-UHFFFAOYSA-N 0 0 407.861 2.860 50 0 HFAARN COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000004166118 568918986 /nfs/dbraw/zinc/91/89/86/568918986.db2.gz OQXQRBZAKWKFCP-UHFFFAOYSA-N 0 0 403.442 2.846 50 0 HFAARN CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)ns2)CC1 ZINC000004167319 568919549 /nfs/dbraw/zinc/91/95/49/568919549.db2.gz LCRVLZCTNPKQAA-UHFFFAOYSA-N 0 0 406.533 2.906 50 0 HFAARN NC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003609980 568919835 /nfs/dbraw/zinc/91/98/35/568919835.db2.gz RWEWOGUWKRFQRX-UHFFFAOYSA-N 0 0 421.478 2.789 50 0 HFAARN COc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000003610587 568919993 /nfs/dbraw/zinc/91/99/93/568919993.db2.gz GSCPDQXNGGQADT-DEOSSOPVSA-N 0 0 417.465 2.932 50 0 HFAARN COC(=O)CCCCCCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000083884731 568922571 /nfs/dbraw/zinc/92/25/71/568922571.db2.gz MFKWHVBEDFSIOD-UHFFFAOYSA-N 0 0 410.536 2.618 50 0 HFAARN CCn1c2ccccc2n(CC(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1=O ZINC000012731719 568922699 /nfs/dbraw/zinc/92/26/99/568922699.db2.gz WNQOVKGXWADLAD-LJQANCHMSA-N 0 0 400.910 2.895 50 0 HFAARN COc1ccc(OC)c(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)c1 ZINC000003653850 568922732 /nfs/dbraw/zinc/92/27/32/568922732.db2.gz QCQHKYRUVIIDKR-UHFFFAOYSA-N 0 0 409.441 2.614 50 0 HFAARN CC(=O)N[C@@H](C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)C(C)C ZINC000012737490 568925241 /nfs/dbraw/zinc/92/52/41/568925241.db2.gz PKKGHYPSGNJSEM-HSZRJFAPSA-N 0 0 421.541 2.650 50 0 HFAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012738532 568926278 /nfs/dbraw/zinc/92/62/78/568926278.db2.gz WGXCDXYQSWFKIJ-UHFFFAOYSA-N 0 0 416.499 2.561 50 0 HFAARN Cc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000031773635 568930813 /nfs/dbraw/zinc/93/08/13/568930813.db2.gz HFFNKZXGROKAQE-FCHUYYIVSA-N 0 0 412.555 2.750 50 0 HFAARN CCc1ccc(N2C(=O)CN(CCC3=CCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773657 568930865 /nfs/dbraw/zinc/93/08/65/568930865.db2.gz DESLIBPCJBDXPT-LEWJYISDSA-N 0 0 402.560 2.954 50 0 HFAARN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000083987442 568931070 /nfs/dbraw/zinc/93/10/70/568931070.db2.gz FMKUGHIXKDLNKN-OAHLLOKOSA-N 0 0 414.314 2.901 50 0 HFAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCn1ccnc1 ZINC000031807768 568931564 /nfs/dbraw/zinc/93/15/64/568931564.db2.gz ANPFLRWYKVTYQZ-HNNXBMFYSA-N 0 0 422.514 2.608 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)c(C)c1 ZINC000012747940 568933903 /nfs/dbraw/zinc/93/39/03/568933903.db2.gz OAFIWMUBYMAFDD-UHFFFAOYSA-N 0 0 416.297 2.622 50 0 HFAARN COc1ccc(CCN2CC(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000004029713 568934527 /nfs/dbraw/zinc/93/45/27/568934527.db2.gz KMKGOFLOEJZZRU-DEOSSOPVSA-N 0 0 403.482 2.861 50 0 biogenic HFAARN O=C(c1cc(S(=O)(=O)N2CCCC2)cs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016651248 568935211 /nfs/dbraw/zinc/93/52/11/568935211.db2.gz YUYNSDLHZKQENP-UHFFFAOYSA-N 0 0 423.535 2.634 50 0 HFAARN CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2S[C@H](C)CC)cc1 ZINC000004061413 568937180 /nfs/dbraw/zinc/93/71/80/568937180.db2.gz NKDSSGIFAPRBHG-GFCCVEGCSA-N 0 0 401.492 2.524 50 0 HFAARN Cc1ccc2c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)coc2c1 ZINC000012750058 568937880 /nfs/dbraw/zinc/93/78/80/568937880.db2.gz PJYCTNVGAJDNKO-QFIPXVFZSA-N 0 0 420.465 2.795 50 0 HFAARN COc1ccccc1CNC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 ZINC000004073857 568938087 /nfs/dbraw/zinc/93/80/87/568938087.db2.gz QEGSXTPQGLVUED-QKKBWIMNSA-N 0 0 414.483 2.599 50 0 biogenic HFAARN Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1 ZINC000004077323 568938409 /nfs/dbraw/zinc/93/84/09/568938409.db2.gz OSJCPZAKZHSNDS-UHFFFAOYSA-N 0 0 422.260 2.684 50 0 HFAARN CCOCCOCc1cccc(CNC(=O)Cn2nnc(-c3ccccc3C)n2)c1 ZINC000053115239 568938620 /nfs/dbraw/zinc/93/86/20/568938620.db2.gz YKPQXQMTJXNODU-UHFFFAOYSA-N 0 0 409.490 2.518 50 0 HFAARN Cn1c2nc3scc(CNc4cccc(C(F)(F)F)c4)n3c2c(=O)n(C)c1=O ZINC000001432683 568941265 /nfs/dbraw/zinc/94/12/65/568941265.db2.gz AQWDYKKHJANTDJ-UHFFFAOYSA-N 0 0 409.393 2.577 50 0 HFAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)NCCc1ccccc1 ZINC000004104054 568942851 /nfs/dbraw/zinc/94/28/51/568942851.db2.gz RVPJOKIJHDUYNS-UHFFFAOYSA-N 0 0 414.462 2.590 50 0 HFAARN COc1cccc(C(=O)N(c2ccc(OC)cc2OC)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000004102122 568942870 /nfs/dbraw/zinc/94/28/70/568942870.db2.gz STRGLZQJUGASNU-HNNXBMFYSA-N 0 0 403.456 2.670 50 0 HFAARN CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012755983 568942961 /nfs/dbraw/zinc/94/29/61/568942961.db2.gz JGIDSIDZDDSFFY-GASCZTMLSA-N 0 0 419.503 2.531 50 0 HFAARN COc1ccc(OC)c(NC(=O)CSc2nc3c(c(=O)n2C)S[C@@H](C)C3)c1 ZINC000004107801 568943603 /nfs/dbraw/zinc/94/36/03/568943603.db2.gz OEWDGMHONRZJCV-JTQLQIEISA-N 0 0 407.517 2.565 50 0 HFAARN CC[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000004118769 568944395 /nfs/dbraw/zinc/94/43/95/568944395.db2.gz OMGFROOVPALWER-BLLLJJGKSA-N 0 0 404.517 2.626 50 0 HFAARN CCOC(=O)C(Sc1nnc(-c2c[nH]c3ccccc32)n1CCOC)=C(C)O ZINC000004138700 568945798 /nfs/dbraw/zinc/94/57/98/568945798.db2.gz UPNQRIQUQKXRSD-INIZCTEOSA-N 0 0 402.476 2.686 50 0 HFAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000084340858 568946951 /nfs/dbraw/zinc/94/69/51/568946951.db2.gz HJNHMCNADUJZHE-OLZOCXBDSA-N 0 0 409.401 2.653 50 0 HFAARN Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1S(=O)(=O)N(C)C ZINC000012762458 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569129424 /nfs/dbraw/zinc/12/94/24/569129424.db2.gz FBRGPPJCBDUDMJ-NSHDSACASA-N 0 0 419.890 2.770 50 0 HFAARN O=C1N(Cc2ccccc2)CCN1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000064950769 569130052 /nfs/dbraw/zinc/13/00/52/569130052.db2.gz FUXCUMYOBBJMEZ-UHFFFAOYSA-N 0 0 417.506 2.917 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)sc2n1 ZINC000006807163 569131332 /nfs/dbraw/zinc/13/13/32/569131332.db2.gz VPWPAEIAVJGQKK-UHFFFAOYSA-N 0 0 403.895 2.968 50 0 HFAARN COc1ccccc1OCC(=O)N(Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000006810218 569134066 /nfs/dbraw/zinc/13/40/66/569134066.db2.gz KMACNJKSBBGPSO-OAHLLOKOSA-N 0 0 409.529 2.660 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)NCCc2nnc(Cc3cccc(F)c3)[nH]2)c(C)c1 ZINC000064969734 569138620 /nfs/dbraw/zinc/13/86/20/569138620.db2.gz RQXVQGKSNFHAFK-UHFFFAOYSA-N 0 0 402.495 2.981 50 0 HFAARN COc1ccc(S(=O)(=O)NCCc2nnc(Cc3cccc(F)c3)[nH]2)cc1Cl ZINC000064969783 569138639 /nfs/dbraw/zinc/13/86/39/569138639.db2.gz ZUCWPEHHSTZWLD-UHFFFAOYSA-N 0 0 424.885 2.718 50 0 HFAARN 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569213676 /nfs/dbraw/zinc/21/36/76/569213676.db2.gz WQLPPTQYLORQRT-KRWDZBQOSA-N 0 0 423.498 2.589 50 0 HFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)c1c3c(sc1-n1cnnn1)CCC3)CC2 ZINC000524735154 569214075 /nfs/dbraw/zinc/21/40/75/569214075.db2.gz AEOZDLTUASKIQA-AWEZNQCLSA-N 0 0 411.487 2.647 50 0 HFAARN Cn1c(=O)c2ccnn2c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21 ZINC000065270528 569214150 /nfs/dbraw/zinc/21/41/50/569214150.db2.gz YAYGHARGDWGFSA-UHFFFAOYSA-N 0 0 421.888 2.802 50 0 HFAARN COc1ccc(CN2CCN(C(=O)CCCn3cccc3)CC2)c(OC)c1OC ZINC000524735422 569214252 /nfs/dbraw/zinc/21/42/52/569214252.db2.gz BHXKDSFZNCQQJC-UHFFFAOYSA-N 0 0 401.507 2.639 50 0 HFAARN C=C1C(N2CCCN(C(=O)NC(C)C)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000065271964 569215465 /nfs/dbraw/zinc/21/54/65/569215465.db2.gz RLJKTRJAZQJEGI-UHFFFAOYSA-N 0 0 424.954 2.939 50 0 HFAARN O=C(NCCc1ccccc1)Nc1cnn(-c2ncncc2N2CCSCC2)c1 ZINC000065283180 569216503 /nfs/dbraw/zinc/21/65/03/569216503.db2.gz SEZCJRJJYPKIOY-UHFFFAOYSA-N 0 0 409.519 2.580 50 0 HFAARN COC(=O)c1cccc(NC(=O)c2nc3csc(C)c3c(N3CCOCC3)n2)c1 ZINC000065283313 569216539 /nfs/dbraw/zinc/21/65/39/569216539.db2.gz XTBODALDGYUCFS-UHFFFAOYSA-N 0 0 412.471 2.875 50 0 HFAARN CCn1c2ncccc2nc1[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000065285196 569216745 /nfs/dbraw/zinc/21/67/45/569216745.db2.gz AGRCYAKHDLEFTO-LBPRGKRZSA-N 0 0 414.516 2.634 50 0 HFAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000007088422 569217597 /nfs/dbraw/zinc/21/75/97/569217597.db2.gz XLOVONLYCXYMKR-QHCPKHFHSA-N 0 0 420.469 2.528 50 0 HFAARN CCn1c2ccccc2n2nc(C(=O)NCCCN(C)c3ccccc3)cc2c1=O ZINC000065292310 569218188 /nfs/dbraw/zinc/21/81/88/569218188.db2.gz GXHRZPDOECHCSG-UHFFFAOYSA-N 0 0 403.486 2.925 50 0 HFAARN COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NC[C@@H]4CCCO4)nc32)cc1 ZINC000065293927 569218581 /nfs/dbraw/zinc/21/85/81/569218581.db2.gz JGOOJSCRWABULJ-INIZCTEOSA-N 0 0 415.519 2.530 50 0 HFAARN Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)NCc3ccccn3)c2=O)c1 ZINC000065307406 569219695 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/nfs/dbraw/zinc/22/69/89/569226989.db2.gz SGCXCYKVJOPILL-VLIAUNLRSA-N 0 0 407.470 2.864 50 0 HFAARN CC(C)c1ccc(-n2ccnc2S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000007177897 569227414 /nfs/dbraw/zinc/22/74/14/569227414.db2.gz QBRDIMDGURKARC-GDBMZVCRSA-N 0 0 407.561 2.780 50 0 HFAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CC=C(c2ccccc2)CC1 ZINC000007185961 569227651 /nfs/dbraw/zinc/22/76/51/569227651.db2.gz KNPINSPZMJJSHV-UHFFFAOYSA-N 0 0 411.465 2.898 50 0 HFAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N[C@H]1CCCc2ccccc21 ZINC000007191882 569228202 /nfs/dbraw/zinc/22/82/02/569228202.db2.gz UQSSIDCKMWCAPW-LEWJYISDSA-N 0 0 416.481 2.825 50 0 HFAARN COc1ccc(C)cc1-n1nnnc1SC[C@@H](O)COCc1ccccc1F ZINC000007192001 569228218 /nfs/dbraw/zinc/22/82/18/569228218.db2.gz RCCHJFDCWSLUBA-HNNXBMFYSA-N 0 0 404.467 2.788 50 0 HFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000002942898 569228900 /nfs/dbraw/zinc/22/89/00/569228900.db2.gz YCPSOFLUPASGGF-UHFFFAOYSA-N 0 0 405.454 2.938 50 0 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COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)c(OC)c1 ZINC000170612528 569246461 /nfs/dbraw/zinc/24/64/61/569246461.db2.gz OVHJGQCTVWWYTL-LJQANCHMSA-N 0 0 417.487 2.773 50 0 HFAARN CCCn1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000170613243 569246803 /nfs/dbraw/zinc/24/68/03/569246803.db2.gz YYZRQNOBXLEUCT-UHFFFAOYSA-N 0 0 410.439 2.670 50 0 HFAARN C[C@@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000007551520 569249148 /nfs/dbraw/zinc/24/91/48/569249148.db2.gz YMEHCGFWQXOUOU-PWSUYJOCSA-N 0 0 415.833 2.631 50 0 HFAARN O=C(C1CCN(c2ncccn2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000071285146 569252218 /nfs/dbraw/zinc/25/22/18/569252218.db2.gz XJNQDOBBHOVDRH-UHFFFAOYSA-N 0 0 400.910 2.857 50 0 HFAARN O=C(NCCn1ccc2ccccc21)c1cc(Br)ccc1-n1cnnn1 ZINC000071285217 569252225 /nfs/dbraw/zinc/25/22/25/569252225.db2.gz XJBPYNBAMFFQLB-UHFFFAOYSA-N 0 0 411.263 2.810 50 0 HFAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1OC ZINC000071288196 569252391 /nfs/dbraw/zinc/25/23/91/569252391.db2.gz DWJXLGNLOZQDLR-TZMCWYRMSA-N 0 0 405.476 2.692 50 0 HFAARN Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2cccc(Cl)c2)co1 ZINC000010220387 569253333 /nfs/dbraw/zinc/25/33/33/569253333.db2.gz XLVXXZIOZDXZSS-UHFFFAOYSA-N 0 0 406.851 2.732 50 0 HFAARN Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)ccc1N1CCCC1=O ZINC000010220946 569253361 /nfs/dbraw/zinc/25/33/61/569253361.db2.gz NVYODGHJVGRYQU-UHFFFAOYSA-N 0 0 404.470 2.901 50 0 HFAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc(Br)cc1 ZINC000010216534 569253453 /nfs/dbraw/zinc/25/34/53/569253453.db2.gz YQKSSAAIXTVKQG-UHFFFAOYSA-N 0 0 406.305 2.995 50 0 HFAARN COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ncccn1 ZINC000010254953 569254086 /nfs/dbraw/zinc/25/40/86/569254086.db2.gz DVMZIOUBKNAXNS-UHFFFAOYSA-N 0 0 412.471 2.587 50 0 HFAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 ZINC000010254872 569254308 /nfs/dbraw/zinc/25/43/08/569254308.db2.gz DCBLILQEEQNJIO-UHFFFAOYSA-N 0 0 412.471 2.587 50 0 HFAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 ZINC000013528269 569255810 /nfs/dbraw/zinc/25/58/10/569255810.db2.gz MAWOGWAFPRPDCF-UHFFFAOYSA-N 0 0 414.263 2.857 50 0 HFAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O ZINC000013707131 569257351 /nfs/dbraw/zinc/25/73/51/569257351.db2.gz YPZDSHOLFKUUNL-UHFFFAOYSA-N 0 0 415.833 2.885 50 0 HFAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)N1CCOCC1 ZINC000013848895 569258089 /nfs/dbraw/zinc/25/80/89/569258089.db2.gz HZYXBLBOOWHKPV-UHFFFAOYSA-N 0 0 412.870 2.681 50 0 HFAARN Cc1ccc(CN2CCCN(S(=O)(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000014098867 569258641 /nfs/dbraw/zinc/25/86/41/569258641.db2.gz LPVASIWCOLUHAV-UHFFFAOYSA-N 0 0 412.559 2.882 50 0 HFAARN CC(C)CNC(=O)NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000014146458 569258725 /nfs/dbraw/zinc/25/87/25/569258725.db2.gz BBKDJKXDZZFNKS-LBPRGKRZSA-N 0 0 416.482 2.917 50 0 HFAARN CCCCCc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)s1 ZINC000014200368 569258945 /nfs/dbraw/zinc/25/89/45/569258945.db2.gz KKMCNQZWHHQDPG-LJQANCHMSA-N 0 0 419.482 2.816 50 0 HFAARN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000014488116 569260134 /nfs/dbraw/zinc/26/01/34/569260134.db2.gz SLKAJNNOTNNALC-UHFFFAOYSA-N 0 0 416.865 2.980 50 0 HFAARN Cn1nnnc1-c1cccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000014519319 569260270 /nfs/dbraw/zinc/26/02/70/569260270.db2.gz QADYFHYDACGQFA-HNNXBMFYSA-N 0 0 414.878 2.972 50 0 HFAARN O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000014604379 569260655 /nfs/dbraw/zinc/26/06/55/569260655.db2.gz BHDKZZXOEBGFDK-UHFFFAOYSA-N 0 0 416.396 2.991 50 0 HFAARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000089636910 569261432 /nfs/dbraw/zinc/26/14/32/569261432.db2.gz ZPQHCWDKNNWUCU-UHFFFAOYSA-N 0 0 416.543 2.832 50 0 HFAARN NC(=O)c1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)nn1 ZINC000089774438 569263792 /nfs/dbraw/zinc/26/37/92/569263792.db2.gz HMYIICXZXNFVIC-UHFFFAOYSA-N 0 0 417.219 2.762 50 0 HFAARN O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000089793936 569265318 /nfs/dbraw/zinc/26/53/18/569265318.db2.gz VAPNOMCGPGRTOD-UHFFFAOYSA-N 0 0 422.466 2.532 50 0 HFAARN CCOc1ccc(-c2nc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)sc2C)cc1 ZINC000016847885 569265406 /nfs/dbraw/zinc/26/54/06/569265406.db2.gz UMJRSVMKTCCPMP-OAHLLOKOSA-N 0 0 409.533 2.880 50 0 HFAARN CCOc1ccc(-c2nc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2C)cc1 ZINC000016847882 569265417 /nfs/dbraw/zinc/26/54/17/569265417.db2.gz UMJRSVMKTCCPMP-HNNXBMFYSA-N 0 0 409.533 2.880 50 0 HFAARN COc1ccccc1[C@H](C)N[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089909807 569268336 /nfs/dbraw/zinc/26/83/36/569268336.db2.gz XIIWRGFDHZKTKR-RYUDHWBXSA-N 0 0 409.408 2.907 50 0 HFAARN COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1F ZINC000016955220 569268605 /nfs/dbraw/zinc/26/86/05/569268605.db2.gz QCGCUNDAIVLBNY-UHFFFAOYSA-N 0 0 403.435 2.649 50 0 HFAARN COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3cccc(OC)c3)[C@H](C)C2)c1 ZINC000089939404 569269253 /nfs/dbraw/zinc/26/92/53/569269253.db2.gz WVTNTTVZQHRBQA-CQSZACIVSA-N 0 0 422.478 2.520 50 0 HFAARN CCCCCCn1cc(S(=O)(=O)N2CCCc3cc(C)ccc32)c(=O)[nH]c1=O ZINC000089953402 569269874 /nfs/dbraw/zinc/26/98/74/569269874.db2.gz ANVNRPREIDFBFR-UHFFFAOYSA-N 0 0 405.520 2.567 50 0 HFAARN CCN(C[C@@H]1CCCO1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000089969142 569270495 /nfs/dbraw/zinc/27/04/95/569270495.db2.gz KASRLQUQCCCIPS-OALUTQOASA-N 0 0 410.536 2.618 50 0 HFAARN CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000002872083 569278297 /nfs/dbraw/zinc/27/82/97/569278297.db2.gz NGWHOWILQNGTQB-UHFFFAOYSA-N 0 0 416.377 2.839 50 0 HFAARN CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002087601 569279951 /nfs/dbraw/zinc/27/99/51/569279951.db2.gz UAFNNBQSAKQZKQ-DFQSSKMNSA-N 0 0 407.514 2.639 50 0 biogenic HFAARN O=C(CNC(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 ZINC000006709706 569280132 /nfs/dbraw/zinc/28/01/32/569280132.db2.gz IIBLUIYYWXDKEM-UHFFFAOYSA-N 0 0 402.292 2.528 50 0 HFAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 ZINC000002092272 569280451 /nfs/dbraw/zinc/28/04/51/569280451.db2.gz VQNWLVPPHMDJAY-AWEZNQCLSA-N 0 0 415.467 2.936 50 0 biogenic HFAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000007583417 569283352 /nfs/dbraw/zinc/28/33/52/569283352.db2.gz AOMCVDDLOIGOSI-HYBUGGRVSA-N 0 0 420.513 2.884 50 0 HFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000004027333 569289075 /nfs/dbraw/zinc/28/90/75/569289075.db2.gz LCLXBNDAOUUZSN-WOJBJXKFSA-N 0 0 412.486 2.838 50 0 biogenic HFAARN O=C(NC[C@H]1CCSC1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000252487035 569289297 /nfs/dbraw/zinc/28/92/97/569289297.db2.gz HQXSHFOHDUEQQG-CYBMUJFWSA-N 0 0 401.513 2.731 50 0 HFAARN Cc1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(=O)n(-c2ccccc2)n1C ZINC000002147225 569289749 /nfs/dbraw/zinc/28/97/49/569289749.db2.gz PYRBXOFNESCWOX-UHFFFAOYSA-N 0 0 419.437 2.917 50 0 biogenic HFAARN CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000252536332 569292859 /nfs/dbraw/zinc/29/28/59/569292859.db2.gz IEKOVMKHDPVVEZ-SCLBCKFNSA-N 0 0 405.458 2.848 50 0 HFAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000252549966 569294185 /nfs/dbraw/zinc/29/41/85/569294185.db2.gz RYAGRORJRNCXMB-JKIFEVAISA-N 0 0 406.556 2.592 50 0 HFAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)NCc1ccc2c(c1)OCO2 ZINC000007616769 569296024 /nfs/dbraw/zinc/29/60/24/569296024.db2.gz ZPQJHZYEXVQJBK-UHFFFAOYSA-N 0 0 409.471 2.812 50 0 HFAARN C[C@@H]1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)c2ccccc2S1 ZINC000007676032 569300150 /nfs/dbraw/zinc/30/01/50/569300150.db2.gz IEMPGHASMJHWHJ-CYBMUJFWSA-N 0 0 409.467 2.997 50 0 HFAARN Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1F ZINC000037470503 569300523 /nfs/dbraw/zinc/30/05/23/569300523.db2.gz KUOGYHKXSCEUCD-ZIFCJYIRSA-N 0 0 418.557 2.583 50 0 HFAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2[nH]1 ZINC000007686803 569300793 /nfs/dbraw/zinc/30/07/93/569300793.db2.gz LBTSQTWTXUUTNJ-OAHLLOKOSA-N 0 0 400.485 2.992 50 0 HFAARN CCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(Cl)cc3F)cc21 ZINC000037512583 569302540 /nfs/dbraw/zinc/30/25/40/569302540.db2.gz KFPAXBHPPMAAGB-UHFFFAOYSA-N 0 0 420.824 2.602 50 0 HFAARN COc1ccc2c(COC(=O)c3cccc(CS(C)(=O)=O)c3)cc(=O)oc2c1 ZINC000007721423 569302596 /nfs/dbraw/zinc/30/25/96/569302596.db2.gz MCSFWWRCKHVWES-UHFFFAOYSA-N 0 0 402.424 2.703 50 0 HFAARN COCCCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000037524449 569303527 /nfs/dbraw/zinc/30/35/27/569303527.db2.gz WFWNQAPSSPCTFE-UHFFFAOYSA-N 0 0 413.493 2.991 50 0 HFAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O)c1cccnc1 ZINC000002211041 569307226 /nfs/dbraw/zinc/30/72/26/569307226.db2.gz TZOXKRBLVMGKKZ-OAHLLOKOSA-N 0 0 416.718 2.823 50 0 HFAARN Cc1c(C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)sc2nc3n(c(=O)c12)CCC3 ZINC000007769492 569308208 /nfs/dbraw/zinc/30/82/08/569308208.db2.gz BEITXVPNLGYEHT-CYBMUJFWSA-N 0 0 405.520 2.903 50 0 HFAARN COc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000007768753 569308280 /nfs/dbraw/zinc/30/82/80/569308280.db2.gz KJDDDECMXDFRME-UHFFFAOYSA-N 0 0 404.488 2.887 50 0 HFAARN CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000007777290 569308614 /nfs/dbraw/zinc/30/86/14/569308614.db2.gz OLJABUOCQLZTIN-ZIAGYGMSSA-N 0 0 418.523 2.558 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007778033 569308824 /nfs/dbraw/zinc/30/88/24/569308824.db2.gz NJEDJKXLYWWMBF-CYBMUJFWSA-N 0 0 407.898 2.537 50 0 HFAARN COc1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000007787687 569310636 /nfs/dbraw/zinc/31/06/36/569310636.db2.gz HMNRBNDPNPOLGU-INIZCTEOSA-N 0 0 409.552 2.540 50 0 HFAARN COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002216153 569310847 /nfs/dbraw/zinc/31/08/47/569310847.db2.gz JPLZTVLUDRMJOK-SFHVURJKSA-N 0 0 411.385 2.910 50 0 HFAARN O=C(NCc1cn2ccccc2n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000007798928 569311170 /nfs/dbraw/zinc/31/11/70/569311170.db2.gz VDENFRHTCRZKOO-UHFFFAOYSA-N 0 0 412.515 2.829 50 0 HFAARN CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1 ZINC000007799166 569311164 /nfs/dbraw/zinc/31/11/64/569311164.db2.gz OSBAAESGLMQKJQ-INIZCTEOSA-N 0 0 408.487 2.964 50 0 HFAARN COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H](C)C(N)=O)nc3c2)cc1 ZINC000007807376 569311864 /nfs/dbraw/zinc/31/18/64/569311864.db2.gz ATGBALCQDBSGPF-JTQLQIEISA-N 0 0 407.473 2.603 50 0 HFAARN COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@H](C)C(N)=O)nc3c2)cc1 ZINC000007807377 569311869 /nfs/dbraw/zinc/31/18/69/569311869.db2.gz ATGBALCQDBSGPF-SNVBAGLBSA-N 0 0 407.473 2.603 50 0 HFAARN O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000007889129 569315275 /nfs/dbraw/zinc/31/52/75/569315275.db2.gz GTFUWRGVEAVWLH-UHFFFAOYSA-N 0 0 404.919 2.975 50 0 HFAARN CCC(C)(C)NC(=O)COC(=O)c1cccnc1SCC(=O)NC(C)(C)CC ZINC000007887757 569315280 /nfs/dbraw/zinc/31/52/80/569315280.db2.gz PFAZRWRWIHABIW-UHFFFAOYSA-N 0 0 409.552 2.940 50 0 HFAARN CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCCO2 ZINC000007895183 569318880 /nfs/dbraw/zinc/31/88/80/569318880.db2.gz LHGIRWJXLCMQSJ-NRFANRHFSA-N 0 0 408.454 2.957 50 0 HFAARN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252679127 569319850 /nfs/dbraw/zinc/31/98/50/569319850.db2.gz IGERRMFEHWOOLW-HAQNSBGRSA-N 0 0 420.395 2.979 50 0 HFAARN CCOC(=O)[C@H]1CCCN(C(=O)/C(=C\c2ccc(OC)cc2)n2ccccc2=O)C1 ZINC000012285428 569319948 /nfs/dbraw/zinc/31/99/48/569319948.db2.gz MBXQYIQPLFKDAL-XTFSCAMASA-N 0 0 410.470 2.657 50 0 HFAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccc(=O)[nH]c1 ZINC000004128484 569321786 /nfs/dbraw/zinc/32/17/86/569321786.db2.gz WEIRFGIBVMAZJM-PGRDOPGGSA-N 0 0 403.523 2.614 50 0 HFAARN C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21)C(=O)N(C)C ZINC000054792261 569322869 /nfs/dbraw/zinc/32/28/69/569322869.db2.gz DLAVPZMCXSSCED-CQSZACIVSA-N 0 0 405.454 2.880 50 0 HFAARN Cc1cc(C)n(CCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)n1 ZINC000027509700 569326546 /nfs/dbraw/zinc/32/65/46/569326546.db2.gz YLRKTBBWKGLBDZ-FQEVSTJZSA-N 0 0 420.579 2.708 50 0 HFAARN COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@@H]13 ZINC000072187491 569359092 /nfs/dbraw/zinc/35/90/92/569359092.db2.gz UZZAHAKTLYRDOK-WBKCJFPFSA-N 0 0 414.498 2.777 50 0 HFAARN O=C(NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccc(Cl)cc1 ZINC000071788928 569359109 /nfs/dbraw/zinc/35/91/09/569359109.db2.gz WZWIFWPOJWWOAU-UHFFFAOYSA-N 0 0 413.831 2.701 50 0 HFAARN NC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000253394625 569365213 /nfs/dbraw/zinc/36/52/13/569365213.db2.gz AETXLWVGSXFUOM-GOSISDBHSA-N 0 0 407.470 2.887 50 0 biogenic HFAARN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1 ZINC000253407172 569366119 /nfs/dbraw/zinc/36/61/19/569366119.db2.gz VRBQQDUVORPDKM-GOSISDBHSA-N 0 0 410.561 2.540 50 0 HFAARN CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000253417577 569367457 /nfs/dbraw/zinc/36/74/57/569367457.db2.gz AZCQONJGAVASKV-AWEZNQCLSA-N 0 0 404.573 2.742 50 0 HFAARN NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000253418615 569367573 /nfs/dbraw/zinc/36/75/73/569367573.db2.gz FLAHSDZWGBYGQQ-HUUCEWRRSA-N 0 0 405.907 2.739 50 0 HFAARN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc([C@H](O)c4ccccn4)ccc3C)cc12 ZINC000253424670 569368001 /nfs/dbraw/zinc/36/80/01/569368001.db2.gz JFNQIACDFVWIJV-FQEVSTJZSA-N 0 0 423.498 2.863 50 0 HFAARN COCCNC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002293164 569369250 /nfs/dbraw/zinc/36/92/50/569369250.db2.gz VTGDTMKEXRLPDB-UHFFFAOYSA-N 0 0 405.458 2.600 50 0 HFAARN COC(=O)C1=C(N)OC2=C(C(=O)OC(C)(C)C2)[C@@H]1c1cccc(Br)c1 ZINC000002295986 569369394 /nfs/dbraw/zinc/36/93/94/569369394.db2.gz ZEBWWPRWBPWQFF-LBPRGKRZSA-N 0 0 408.248 2.886 50 0 HFAARN COc1cc(OC)cc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Br)ccc32)c1 ZINC000253432841 569369949 /nfs/dbraw/zinc/36/99/49/569369949.db2.gz ORIZPDVYMKQRNT-SFHVURJKSA-N 0 0 406.232 2.879 50 0 HFAARN COCCNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000002301201 569372245 /nfs/dbraw/zinc/37/22/45/569372245.db2.gz HZLUQICYNZZEKL-INIZCTEOSA-N 0 0 416.499 2.782 50 0 HFAARN Cc1cc2c3c(c1)C(CN1CCN(C(=O)c4ccco4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000253495692 569381969 /nfs/dbraw/zinc/38/19/69/569381969.db2.gz NTXOELBNMFFUQM-UHFFFAOYSA-N 0 0 419.481 2.751 50 0 HFAARN COCCOC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc21 ZINC000002370659 569388789 /nfs/dbraw/zinc/38/87/89/569388789.db2.gz KYJCYXXXYNJEFL-UHFFFAOYSA-N 0 0 422.441 2.976 50 0 HFAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 ZINC000002396793 569394522 /nfs/dbraw/zinc/39/45/22/569394522.db2.gz FQQIIQPZCDFIPV-UHFFFAOYSA-N 0 0 417.878 2.830 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C/c3cccc(C)c3)CC2)cc1 ZINC000011192393 569397852 /nfs/dbraw/zinc/39/78/52/569397852.db2.gz CYYKRGAPONPFTD-IZZDOVSWSA-N 0 0 414.527 2.986 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2)cc1OC ZINC000011859857 569399053 /nfs/dbraw/zinc/39/90/53/569399053.db2.gz HHXVCFGSNYIBNO-KRWDZBQOSA-N 0 0 404.488 2.804 50 0 HFAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCC(C(N)=O)CC2)cc1 ZINC000012419446 569401091 /nfs/dbraw/zinc/40/10/91/569401091.db2.gz VNYOXPSRZRRMAY-UHFFFAOYSA-N 0 0 415.471 2.778 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2=O)cc1 ZINC000013039505 569407793 /nfs/dbraw/zinc/40/77/93/569407793.db2.gz UFYRCYDTRCPWDP-MRXNPFEDSA-N 0 0 415.515 2.673 50 0 HFAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2F)c1 ZINC000013058444 569408244 /nfs/dbraw/zinc/40/82/44/569408244.db2.gz XEELKADSTQXULQ-UHFFFAOYSA-N 0 0 407.511 2.927 50 0 HFAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c2c1C ZINC000002456002 569409838 /nfs/dbraw/zinc/40/98/38/569409838.db2.gz ZCANNNQYMGISOR-UHFFFAOYSA-N 0 0 407.398 2.860 50 0 HFAARN COCCn1c2ccc(F)cc2s/c1=N/C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000013286786 569410527 /nfs/dbraw/zinc/41/05/27/569410527.db2.gz IAVVLECAZMAFCA-CZIZESTLSA-N 0 0 408.476 2.633 50 0 HFAARN CS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000013352731 569411246 /nfs/dbraw/zinc/41/12/46/569411246.db2.gz CCOWZCXIULGRJC-UHFFFAOYSA-N 0 0 421.563 2.749 50 0 HFAARN COCCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000013356907 569411467 /nfs/dbraw/zinc/41/14/67/569411467.db2.gz IHZRIMSTYIDIRO-UHFFFAOYSA-N 0 0 409.486 2.554 50 0 HFAARN CCOCCc1nn2c(nc(COC(=O)C34CC5CC(CC(C5)C3)C4)cc2=O)s1 ZINC000013370342 569412786 /nfs/dbraw/zinc/41/27/86/569412786.db2.gz BSUAKHXWMJPRGK-UHFFFAOYSA-N 0 0 417.531 2.990 50 0 HFAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(Br)c2)c1 ZINC000007953217 569413887 /nfs/dbraw/zinc/41/38/87/569413887.db2.gz JWNFWEXLWIYLMI-UHFFFAOYSA-N 0 0 412.309 2.750 50 0 HFAARN COc1cccc(OC)c1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(C)=O ZINC000328598174 569416227 /nfs/dbraw/zinc/41/62/27/569416227.db2.gz KSHUNFORNBNSMN-QGZVFWFLSA-N 0 0 417.487 2.773 50 0 HFAARN C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1 ZINC000078876383 569421165 /nfs/dbraw/zinc/42/11/65/569421165.db2.gz SPOKCVPLDOZRHO-LLVKDONJSA-N 0 0 424.320 2.679 50 0 HFAARN CCOC(=O)c1cnc(N2CCN(C(=O)c3ccc(OCC(C)C)nc3)CC2)s1 ZINC000078934422 569421797 /nfs/dbraw/zinc/42/17/97/569421797.db2.gz DPYSOBGELQFSOJ-UHFFFAOYSA-N 0 0 418.519 2.712 50 0 HFAARN COC(=O)[C@H](C)[C@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1 ZINC000079046129 569425203 /nfs/dbraw/zinc/42/52/03/569425203.db2.gz YBTUATCRSRXGFC-UZLBHIALSA-N 0 0 420.469 2.964 50 0 HFAARN Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CC[NH+](C)CC2)s1 ZINC000079052801 569425734 /nfs/dbraw/zinc/42/57/34/569425734.db2.gz ZMUMHUNGNWXWCL-UHFFFAOYSA-N 0 0 400.957 2.966 50 0 HFAARN Cc1ccc(NC(=O)CN2CCS[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)N(C)C ZINC000079053505 569425864 /nfs/dbraw/zinc/42/58/64/569425864.db2.gz NKJCUTHRRPOFAJ-DLBZAZTESA-N 0 0 411.593 2.544 50 0 HFAARN C[C@@H](SCc1ccccc1)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000079074196 569426983 /nfs/dbraw/zinc/42/69/83/569426983.db2.gz JJVZIYZQPPOQCZ-AEFFLSMTSA-N 0 0 407.580 2.976 50 0 HFAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1C ZINC000079111910 569428215 /nfs/dbraw/zinc/42/82/15/569428215.db2.gz FWOIERRBQSIACH-UHFFFAOYSA-N 0 0 421.519 2.684 50 0 HFAARN COC(=O)CCNC(=O)c1cn(CCc2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000079190041 569429206 /nfs/dbraw/zinc/42/92/06/569429206.db2.gz HUBDUTVURWRARI-UHFFFAOYSA-N 0 0 408.454 2.546 50 0 biogenic HFAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079480188 569431747 /nfs/dbraw/zinc/43/17/47/569431747.db2.gz DLXSZWUIRBHYJU-OCCSQVGLSA-N 0 0 406.331 2.809 50 0 HFAARN CC(C)n1c(CCNC(=O)CCN2C(=O)CC3(CCCC3)C2=O)nc2ccccc21 ZINC000079490884 569432531 /nfs/dbraw/zinc/43/25/31/569432531.db2.gz PCFQXEJMEZKJKM-UHFFFAOYSA-N 0 0 410.518 2.985 50 0 HFAARN CCCn1c2ccccc2nc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1=O ZINC000065113135 571047115 /nfs/dbraw/zinc/04/71/15/571047115.db2.gz CCZBVSVARAEEKL-UHFFFAOYSA-N 0 0 408.477 2.837 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2c(O)ccc3ccccc32)cc1 ZINC000008485150 571055499 /nfs/dbraw/zinc/05/54/99/571055499.db2.gz WNLCCWWRRMAGTP-UHFFFAOYSA-N 0 0 413.451 2.835 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)Nc3cc(Cl)ccc3C)c(=O)c2=O)cc1 ZINC000067256011 571055873 /nfs/dbraw/zinc/05/58/73/571055873.db2.gz ITPAOXPSCGAIMB-UHFFFAOYSA-N 0 0 413.861 2.998 50 0 HFAARN CCOc1ccccc1-n1ccn(CC(=O)N(CC)c2cccc(C)c2)c(=O)c1=O ZINC000067256558 571056220 /nfs/dbraw/zinc/05/62/20/571056220.db2.gz MMXNCGGJIGZHOP-UHFFFAOYSA-N 0 0 407.470 2.759 50 0 HFAARN O=c1nc2nc(NCCC3=CCCCC3)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000067261535 571060264 /nfs/dbraw/zinc/06/02/64/571060264.db2.gz JSSPTKYHFDBCQE-UHFFFAOYSA-N 0 0 407.430 2.912 50 0 HFAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2NC(=O)c2cccs2)CC1 ZINC000038678782 571061013 /nfs/dbraw/zinc/06/10/13/571061013.db2.gz HUUINONEEYNLGU-UHFFFAOYSA-N 0 0 407.517 2.611 50 0 HFAARN COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)N2CCc3ccccc32)C(C)C)cc1 ZINC000008508424 571062748 /nfs/dbraw/zinc/06/27/48/571062748.db2.gz YZCYTVMDPGKFAW-NRFANRHFSA-N 0 0 410.470 2.582 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cnccn4)ccc32)cc1 ZINC000038706241 571067775 /nfs/dbraw/zinc/06/77/75/571067775.db2.gz XOHWGDACNKLCPH-UHFFFAOYSA-N 0 0 424.482 2.879 50 0 HFAARN CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)[n-]c(=O)c2C1 ZINC000067291790 571068168 /nfs/dbraw/zinc/06/81/68/571068168.db2.gz LDLXFPMKETZJHE-UHFFFAOYSA-N 0 0 418.519 2.698 50 0 HFAARN Cc1ccc([C@H](C)NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)cc1 ZINC000067300412 571073696 /nfs/dbraw/zinc/07/36/96/571073696.db2.gz VZYQYKJQOILGRP-KRWDZBQOSA-N 0 0 405.498 2.939 50 0 HFAARN CCNC(=O)NC(=O)[C@@H](OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 ZINC000008526620 571074237 /nfs/dbraw/zinc/07/42/37/571074237.db2.gz JROTWAXAXSFAEN-HOTGVXAUSA-N 0 0 419.478 2.516 50 0 HFAARN Cc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)c(F)c1 ZINC000067301153 571074241 /nfs/dbraw/zinc/07/42/41/571074241.db2.gz WZLLCZZLOPGXOW-UHFFFAOYSA-N 0 0 413.424 2.979 50 0 HFAARN CCOc1ccc(-n2ccn(CC(=O)NCc3ccc(C(C)C)cc3)c(=O)c2=O)cc1 ZINC000067319656 571076687 /nfs/dbraw/zinc/07/66/87/571076687.db2.gz YNHPDYJCMPHXJA-UHFFFAOYSA-N 0 0 421.497 2.838 50 0 HFAARN Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1=O ZINC000067320319 571077037 /nfs/dbraw/zinc/07/70/37/571077037.db2.gz TXGJITRHLZYJEA-UHFFFAOYSA-N 0 0 405.788 2.878 50 0 HFAARN CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c1 ZINC000067323014 571078707 /nfs/dbraw/zinc/07/87/07/571078707.db2.gz QDQFVBMSIWUNBL-UHFFFAOYSA-N 0 0 413.384 2.958 50 0 HFAARN COc1ccccc1N1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 ZINC000067335808 571079805 /nfs/dbraw/zinc/07/98/05/571079805.db2.gz DWSBINIAOXTDHA-UHFFFAOYSA-N 0 0 423.498 2.761 50 0 HFAARN O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)NN1CCC[C@H]2C=CC=C[C@@H]21 ZINC000067349768 571081508 /nfs/dbraw/zinc/08/15/08/571081508.db2.gz MJCOJEAMEBGKOA-WBVHZDCISA-N 0 0 400.504 2.607 50 0 HFAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccc(F)c2)c1 ZINC000008569732 571081884 /nfs/dbraw/zinc/08/18/84/571081884.db2.gz ITQAHPZOMIPREQ-SFHVURJKSA-N 0 0 410.409 2.757 50 0 HFAARN COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(Cl)cc3)cc12 ZINC000008584607 571083212 /nfs/dbraw/zinc/08/32/12/571083212.db2.gz NZEHRWOCFWHUTM-UHFFFAOYSA-N 0 0 422.890 2.720 50 0 HFAARN CC1CCN(c2nn3c(ncc(C(=O)NCc4ccc(Cl)cc4)c3=O)s2)CC1 ZINC000008602978 571090861 /nfs/dbraw/zinc/09/08/61/571090861.db2.gz ATNSFQXCKYGAHH-UHFFFAOYSA-N 0 0 417.922 2.971 50 0 HFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000008619128 571096196 /nfs/dbraw/zinc/09/61/96/571096196.db2.gz KZWCJXCCFVDCQW-UHFFFAOYSA-N 0 0 401.488 2.577 50 0 HFAARN COc1cccc(-c2noc(COC(=O)CCS(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000008626084 571096944 /nfs/dbraw/zinc/09/69/44/571096944.db2.gz WGUJTVLGQQGPKZ-UHFFFAOYSA-N 0 0 416.455 2.961 50 0 HFAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000008631746 571097236 /nfs/dbraw/zinc/09/72/36/571097236.db2.gz NPJHGYUDKBADAQ-UHFFFAOYSA-N 0 0 419.762 2.757 50 0 HFAARN Cc1cc(Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)no1 ZINC000008705645 571103229 /nfs/dbraw/zinc/10/32/29/571103229.db2.gz KSGMNLOZKAUPEE-UHFFFAOYSA-N 0 0 407.474 2.799 50 0 HFAARN CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3Cc2ccccc2Cl)n(C)c1=O ZINC000008706125 571103508 /nfs/dbraw/zinc/10/35/08/571103508.db2.gz NVOZCPBESZNBJV-GFCCVEGCSA-N 0 0 400.870 2.527 50 0 HFAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NCCCN2CCCC2=O)cc1 ZINC000008709571 571104745 /nfs/dbraw/zinc/10/47/45/571104745.db2.gz KZKOSAFKOADPDQ-UHFFFAOYSA-N 0 0 405.502 2.839 50 0 HFAARN Cc1ccccc1OCc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)n[nH]1 ZINC000008723729 571107528 /nfs/dbraw/zinc/10/75/28/571107528.db2.gz APPXHBWOOSOUIQ-UHFFFAOYSA-N 0 0 412.471 2.829 50 0 HFAARN Cc1oc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c2c1c(C)n[nH]c2=O ZINC000008734267 571109327 /nfs/dbraw/zinc/10/93/27/571109327.db2.gz SKMCOVCXFJVWNG-UHFFFAOYSA-N 0 0 424.486 2.968 50 0 HFAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1=O ZINC000008750159 571111803 /nfs/dbraw/zinc/11/18/03/571111803.db2.gz AZRWFVRWAJMJKS-QFIPXVFZSA-N 0 0 411.433 2.955 50 0 HFAARN CCCNC(=O)CNC(=S)N(Cc1cc(OC)c(OC)c(OC)c1)C1CCCC1 ZINC000008829942 571122823 /nfs/dbraw/zinc/12/28/23/571122823.db2.gz GQTCKZPEFGFZSU-UHFFFAOYSA-N 0 0 423.579 2.858 50 0 HFAARN Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1 ZINC000008849819 571126530 /nfs/dbraw/zinc/12/65/30/571126530.db2.gz WCNIGBBTTNDYSH-KRWDZBQOSA-N 0 0 404.532 2.907 50 0 HFAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H](O)CO)occ3-c1ccccc1 ZINC000008879771 571131159 /nfs/dbraw/zinc/13/11/59/571131159.db2.gz YNZNGYWVBOXEHB-INIZCTEOSA-N 0 0 421.449 2.917 50 0 biogenic HFAARN COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008880338 571131409 /nfs/dbraw/zinc/13/14/09/571131409.db2.gz HTRNLJXVFSDSEH-KSSFIOAISA-N 0 0 420.556 2.967 50 0 HFAARN C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000039476850 571132510 /nfs/dbraw/zinc/13/25/10/571132510.db2.gz FXRPFELTGORYBM-SNVBAGLBSA-N 0 0 420.343 2.941 50 0 HFAARN C[C@H](OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)C(N)=O ZINC000039612187 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CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000035552544 132802474 /nfs/dbraw/zinc/80/24/74/132802474.db2.gz KPNTVGQTGJBTMV-UHFFFAOYSA-N 0 0 419.485 2.895 50 0 HFAARN CC(C)=CCn1c(=O)c2nc(C(=O)NCCCO)cn2cc1-c1cccc(Cl)c1 ZINC000072458524 519443182 /nfs/dbraw/zinc/44/31/82/519443182.db2.gz QIUVDTDTRZKXTG-UHFFFAOYSA-N 0 0 414.893 2.895 50 0 HFAARN CC(=O)N1CCC(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)CC1 ZINC000032970886 519499982 /nfs/dbraw/zinc/49/99/82/519499982.db2.gz ALRQXNCESSTVAV-FQEVSTJZSA-N 0 0 415.534 2.508 50 0 HFAARN CC(=O)N[C@H](C(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)C(C)C ZINC000012569480 519692333 /nfs/dbraw/zinc/69/23/33/519692333.db2.gz XJKSSXVVNHXJKT-DOXZYTNZSA-N 0 0 409.552 2.737 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040286449 519741418 /nfs/dbraw/zinc/74/14/18/519741418.db2.gz WEJFAGKTOICSCX-UHFFFAOYSA-N 0 0 412.465 2.852 50 0 HFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000032916369 519803290 /nfs/dbraw/zinc/80/32/90/519803290.db2.gz HIPUADPSSUGYSG-JLSDUUJJSA-N 0 0 402.582 2.676 50 0 HFAARN CC(C)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)c1 ZINC000040478228 519841860 /nfs/dbraw/zinc/84/18/60/519841860.db2.gz ANPWXHKTVRBKPF-UHFFFAOYSA-N 0 0 420.448 2.938 50 0 HFAARN CCCOC(=O)c1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1 ZINC000040309689 520223435 /nfs/dbraw/zinc/22/34/35/520223435.db2.gz CXVNNHMLUZTPOE-HSZRJFAPSA-N 0 0 421.453 2.801 50 0 biogenic HFAARN CCN(CC)C(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000042749649 520504482 /nfs/dbraw/zinc/50/44/82/520504482.db2.gz DQUBTCVYWBDABC-GOSISDBHSA-N 0 0 416.570 2.842 50 0 HFAARN CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000032901432 520539657 /nfs/dbraw/zinc/53/96/57/520539657.db2.gz SYAKMVWXNHVJPY-NSHDSACASA-N 0 0 409.371 2.780 50 0 HFAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cc3noc4ccccc34)n2)cc1 ZINC000042379565 520808973 /nfs/dbraw/zinc/80/89/73/520808973.db2.gz PLYDPNDLLLVVLV-UHFFFAOYSA-N 0 0 418.453 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/nfs/dbraw/zinc/96/52/81/520965281.db2.gz BZNJZLWKNUXLTC-UHFFFAOYSA-N 0 0 408.296 2.566 50 0 HFAARN CCOc1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)cc1 ZINC000020602496 521187414 /nfs/dbraw/zinc/18/74/14/521187414.db2.gz VNHBOPZRXDMQNL-UHFFFAOYSA-N 0 0 402.314 2.885 50 0 HFAARN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccnc1 ZINC000019818346 521278620 /nfs/dbraw/zinc/27/86/20/521278620.db2.gz WUBBLBGAYSLYRD-MOPGFXCFSA-N 0 0 408.458 2.583 50 0 HFAARN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004401 521282929 /nfs/dbraw/zinc/28/29/29/521282929.db2.gz KURCBZOGMNUATP-QZTJIDSGSA-N 0 0 404.507 2.785 50 0 HFAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)Cc2cccc(Cl)c2Cl)C1 ZINC000032825622 521301403 /nfs/dbraw/zinc/30/14/03/521301403.db2.gz DSOWUVLURKLFGG-ZDUSSCGKSA-N 0 0 409.335 2.945 50 0 HFAARN CCOC(=O)[C@H]1CSCCN1C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000032902937 521317563 /nfs/dbraw/zinc/31/75/63/521317563.db2.gz XHLCONUACMGXIE-CQSZACIVSA-N 0 0 422.528 2.948 50 0 HFAARN CCOC(=O)c1cc(NC(=O)c2cnc3c(c2)c(C)nn3C)cc(C(=O)OCC)c1 ZINC000032899707 521442777 /nfs/dbraw/zinc/44/27/77/521442777.db2.gz FRCYQBCEOXZRHQ-UHFFFAOYSA-N 0 0 410.430 2.882 50 0 HFAARN CCOC(=O)c1ccc(OC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)cc1 ZINC000032909290 521522556 /nfs/dbraw/zinc/52/25/56/521522556.db2.gz IJGGPTKVGUKZOV-MRXNPFEDSA-N 0 0 423.512 2.992 50 0 HFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000040287116 521539557 /nfs/dbraw/zinc/53/95/57/521539557.db2.gz VSTUDQJZGRZZCI-HXUWFJFHSA-N 0 0 413.503 2.773 50 0 HFAARN CCN1CCN(C(=O)[C@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)CC1 ZINC000032945052 521669260 /nfs/dbraw/zinc/66/92/60/521669260.db2.gz OXGCLXAFJOFNSD-AWEZNQCLSA-N 0 0 410.440 2.757 50 0 HFAARN CCCN(Cc1nnc(-c2ccco2)o1)Cc1cc(=O)n2nc(CC)sc2n1 ZINC000032759452 521696285 /nfs/dbraw/zinc/69/62/85/521696285.db2.gz CKFNBIXZHHNNNV-UHFFFAOYSA-N 0 0 400.464 2.769 50 0 HFAARN CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000043493193 521710199 /nfs/dbraw/zinc/71/01/99/521710199.db2.gz DCIDUMFOZBHAQY-UHFFFAOYSA-N 0 0 405.495 2.635 50 0 HFAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)N(C)Cc3ccco3)CC2)c1C ZINC000045973982 521749620 /nfs/dbraw/zinc/74/96/20/521749620.db2.gz ILKGDAVASFVRJT-UHFFFAOYSA-N 0 0 415.490 2.912 50 0 HFAARN COC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000032752945 521754741 /nfs/dbraw/zinc/75/47/41/521754741.db2.gz UNDYXTXHCXCZEC-UHFFFAOYSA-N 0 0 401.444 2.909 50 0 HFAARN CNC(=O)c1ccc(/C=C/C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000030254955 521794704 /nfs/dbraw/zinc/79/47/04/521794704.db2.gz KSRUXODHEPISNH-NYYWCZLTSA-N 0 0 410.449 2.575 50 0 HFAARN COC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc(C)c2C(=O)OC)cc1 ZINC000032752949 522095378 /nfs/dbraw/zinc/09/53/78/522095378.db2.gz MLPKKKPNAKBCMJ-UHFFFAOYSA-N 0 0 415.471 2.966 50 0 HFAARN COc1cc(C(=O)N2NC3=C(CCCC3)[C@]2(O)C(F)(F)F)cc(OC)c1OC ZINC000032117706 522097692 /nfs/dbraw/zinc/09/76/92/522097692.db2.gz ZAGYMEMGJYEJHW-GTNSWQLSSA-N 0 0 402.369 2.965 50 0 biogenic,in-vitro HFAARN COc1cc(C(=O)Nc2cc(-n3cnnn3)ccc2N2CCCC2)cc(OC)c1OC ZINC000045961191 522150101 /nfs/dbraw/zinc/15/01/01/522150101.db2.gz XKWPEYDYGRBSCC-UHFFFAOYSA-N 0 0 424.461 2.541 50 0 HFAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 ZINC000032906643 522268597 /nfs/dbraw/zinc/26/85/97/522268597.db2.gz CRCJNWMUWOQXOS-FMIVXFBMSA-N 0 0 400.456 2.665 50 0 HFAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCO[C@@H](c3ccccc3)C2)n1 ZINC000044900455 522598894 /nfs/dbraw/zinc/59/88/94/522598894.db2.gz CNUVSFRMYSPVTK-OAQYLSRUSA-N 0 0 423.444 2.658 50 0 HFAARN CCc1nn2c(nc(CNc3ccccc3I)cc2=O)s1 ZINC000030286334 522707497 /nfs/dbraw/zinc/70/74/97/522707497.db2.gz UXKOROSTQYNDAC-UHFFFAOYSA-N 0 0 412.256 2.930 50 0 HFAARN COc1cc(OC)cc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2nccn2C)c1 ZINC000032843509 522873921 /nfs/dbraw/zinc/87/39/21/522873921.db2.gz KSHMMTQVFUDXNT-DYESRHJHSA-N 0 0 407.470 2.894 50 0 HFAARN COC(=O)CCCN(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000032278260 523007262 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COc1ccc(C(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 ZINC000002953964 557774716 /nfs/dbraw/zinc/77/47/16/557774716.db2.gz NTYSKRSTXHTNLF-SFHVURJKSA-N 0 0 401.484 2.973 50 0 HFAARN COc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)CS(=O)(=O)C3)cc1 ZINC000003009431 557779160 /nfs/dbraw/zinc/77/91/60/557779160.db2.gz LAPUPCIINOROSS-UHFFFAOYSA-N 0 0 411.483 2.881 50 0 HFAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccccc2)CS(=O)(=O)C3)c1C ZINC000003009573 557779197 /nfs/dbraw/zinc/77/91/97/557779197.db2.gz BOESTSKYTMILSG-UHFFFAOYSA-N 0 0 411.483 2.935 50 0 HFAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 ZINC000008262881 557779283 /nfs/dbraw/zinc/77/92/83/557779283.db2.gz LGGXQUGQEGTTJR-SFHVURJKSA-N 0 0 421.497 2.713 50 0 HFAARN CCCc1cc(=O)n(CC(=O)N2CCN(c3ccc(C)cc3)CC2)c(SC)n1 ZINC000008717035 557801907 /nfs/dbraw/zinc/80/19/07/557801907.db2.gz XLAYOXVEJAPDIG-UHFFFAOYSA-N 0 0 400.548 2.575 50 0 HFAARN COc1cc(OC)c([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1OC ZINC000008738414 557803258 /nfs/dbraw/zinc/80/32/58/557803258.db2.gz DLCJBBCFQIKHEK-CQSZACIVSA-N 0 0 407.426 2.937 50 0 HFAARN Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008746041 557805235 /nfs/dbraw/zinc/80/52/35/557805235.db2.gz DPXZMWAJDJKCDP-UHFFFAOYSA-N 0 0 406.508 2.589 50 0 HFAARN COc1ccc2c(CCNC(=O)Cc3c(C)c4c(O)cc(O)cc4oc3=O)c[nH]c2c1 ZINC000008764500 557806126 /nfs/dbraw/zinc/80/61/26/557806126.db2.gz XKRWKVQTIIULDJ-UHFFFAOYSA-N 0 0 422.437 2.904 50 0 biogenic HFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(N3CCCC3=O)cc1)CC2 ZINC000008816163 557809910 /nfs/dbraw/zinc/80/99/10/557809910.db2.gz FSRLVJOHPCYPMP-UHFFFAOYSA-N 0 0 416.499 2.578 50 0 HFAARN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000008909916 557813655 /nfs/dbraw/zinc/81/36/55/557813655.db2.gz JEWFEBZEWIPJHE-QGZVFWFLSA-N 0 0 421.453 2.501 50 0 HFAARN CCOC(=O)c1cc(=O)n2nc(-c3ccc(I)cc3)cc2[nH]1 ZINC000008989768 557817580 /nfs/dbraw/zinc/81/75/80/557817580.db2.gz VOQNKHGCXYOHFN-UHFFFAOYSA-N 0 0 409.183 2.883 50 0 HFAARN COC(=O)c1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc(C(=O)OC)c1 ZINC000009013623 557819451 /nfs/dbraw/zinc/81/94/51/557819451.db2.gz CAQZNWWQKPNNST-INIZCTEOSA-N 0 0 414.439 2.701 50 0 HFAARN Cc1nc(-c2cccc(NC(=O)CN3CCN(C[C@@H]4CCCO4)CC3)c2)cs1 ZINC000022781233 557819573 /nfs/dbraw/zinc/81/95/73/557819573.db2.gz JTLGGAZKKCZZNV-IBGZPJMESA-N 0 0 400.548 2.854 50 0 HFAARN Cc1ccc(-c2nc(CS(=O)(=O)[C@H](C)C(=O)NC[C@@H]3CCCO3)co2)c(C)c1 ZINC000046175193 557820147 /nfs/dbraw/zinc/82/01/47/557820147.db2.gz CBKUOCHMNHAEGV-WBVHZDCISA-N 0 0 406.504 2.557 50 0 HFAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(I)o2)C1=O ZINC000009260987 557833173 /nfs/dbraw/zinc/83/31/73/557833173.db2.gz UEMFYCMHGWFTHD-TUOMEMKJSA-N 0 0 421.212 2.872 50 0 HFAARN CCOC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c1 ZINC000009321038 557836587 /nfs/dbraw/zinc/83/65/87/557836587.db2.gz OYQZFFGBONKABM-UHFFFAOYSA-N 0 0 416.437 2.978 50 0 HFAARN CCOCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 ZINC000009341683 557838070 /nfs/dbraw/zinc/83/80/70/557838070.db2.gz AMONPCVKGNSDRZ-UHFFFAOYSA-N 0 0 406.483 2.747 50 0 HFAARN COC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O ZINC000009426555 557842801 /nfs/dbraw/zinc/84/28/01/557842801.db2.gz IZCKYUPXOUSWKR-VXGBXAGGSA-N 0 0 424.910 2.592 50 0 HFAARN CCCc1nn2c(nc(CSCC(=O)Nc3ccc(OC)cc3)cc2=O)s1 ZINC000009526568 557845175 /nfs/dbraw/zinc/84/51/75/557845175.db2.gz ZIJNBOJBCRWZDF-UHFFFAOYSA-N 0 0 404.517 2.984 50 0 HFAARN COc1ccccc1Cc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1 ZINC000009614724 557847102 /nfs/dbraw/zinc/84/71/02/557847102.db2.gz KPLYDVFWRFQOSF-UHFFFAOYSA-N 0 0 417.512 2.940 50 0 HFAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Br)ccc3N(C)C2=O)cc1OC ZINC000010059148 557854589 /nfs/dbraw/zinc/85/45/89/557854589.db2.gz XRCPJDIHKSHBTH-LJQANCHMSA-N 0 0 420.259 2.903 50 0 HFAARN COc1cc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c(=O)c3Nc3nnnn32)ccc1O ZINC000010232715 557857407 /nfs/dbraw/zinc/85/74/07/557857407.db2.gz HNRITVHVYATPQG-QGZVFWFLSA-N 0 0 423.820 2.898 50 0 HFAARN COc1cccc(-c2n[nH]c(=O)c3c2[C@H](c2ccccc2OC)n2nnnc2N3)c1 ZINC000010296804 557858512 /nfs/dbraw/zinc/85/85/12/557858512.db2.gz KTNFKLVVAQRSNG-SFHVURJKSA-N 0 0 403.402 2.548 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000022912439 558258126 /nfs/dbraw/zinc/25/81/26/558258126.db2.gz YEYGXFQZTIFMJR-UHFFFAOYSA-N 0 0 414.937 2.521 50 0 HFAARN Cc1c(NC(=O)CCCn2c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000022913703 558258286 /nfs/dbraw/zinc/25/82/86/558258286.db2.gz UUFHXDWVDFQBOK-UHFFFAOYSA-N 0 0 406.442 2.811 50 0 HFAARN COCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@@H]1CCCO1 ZINC000011786696 558276097 /nfs/dbraw/zinc/27/60/97/558276097.db2.gz LCOKRRABYDCQFI-FQEVSTJZSA-N 0 0 413.518 2.998 50 0 HFAARN Cn1ccnc1CN1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000011819037 558282109 /nfs/dbraw/zinc/28/21/09/558282109.db2.gz QSRUYXNVLBQWPR-JOCHJYFZSA-N 0 0 409.578 2.757 50 0 HFAARN COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)cc1Cl ZINC000019800282 558285351 /nfs/dbraw/zinc/28/53/51/558285351.db2.gz PGUXUUWMTCJUHC-UHFFFAOYSA-N 0 0 410.923 2.864 50 0 HFAARN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1cccnc1 ZINC000011839670 558286080 /nfs/dbraw/zinc/28/60/80/558286080.db2.gz VNDAGGDDJGBJDT-UHFFFAOYSA-N 0 0 417.469 2.586 50 0 HFAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000019819780 558290180 /nfs/dbraw/zinc/29/01/80/558290180.db2.gz KKOYODWPGVQVGC-SFHVURJKSA-N 0 0 418.877 2.637 50 0 HFAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)C4=NN(C)C(=O)CC4)C3)ccc2c1 ZINC000011874158 558291761 /nfs/dbraw/zinc/29/17/61/558291761.db2.gz TUDWIXMBIOLKON-SFHVURJKSA-N 0 0 407.470 2.878 50 0 HFAARN COc1cc(Cl)ccc1OCc1cc(C(=O)NCC(C)(C)N2CCOCC2)no1 ZINC000019835691 558292737 /nfs/dbraw/zinc/29/27/37/558292737.db2.gz OBPAOULTANNRFC-UHFFFAOYSA-N 0 0 423.897 2.756 50 0 HFAARN CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000011917650 558297408 /nfs/dbraw/zinc/29/74/08/558297408.db2.gz HVDNVLSMRAIAQE-UHFFFAOYSA-N 0 0 424.198 2.914 50 0 HFAARN O=C1c2ccccc2/C(=C\N[C@H]2CCS(=O)(=O)C2)C(=O)N1c1cccc(Cl)c1 ZINC000019881347 558301117 /nfs/dbraw/zinc/30/11/17/558301117.db2.gz WKRKPVSFCZKEGQ-BGARDKSCSA-N 0 0 416.886 2.645 50 0 HFAARN CN1CCN(CC(=O)N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(F)cc2)CC1 ZINC000019897367 558303978 /nfs/dbraw/zinc/30/39/78/558303978.db2.gz VHNRLLQSAAYGPL-QPPBQGQZSA-N 0 0 406.505 2.923 50 0 HFAARN CCOc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000019899197 558304664 /nfs/dbraw/zinc/30/46/64/558304664.db2.gz BAGXDAZPNVDHQP-UHFFFAOYSA-N 0 0 419.533 2.914 50 0 HFAARN CC[C@H](C)[C@H](NC(=O)CC[C@@]1(Cc2ccc(OC)cc2F)CCC(=O)N1)C(=O)OC ZINC000012039119 558312421 /nfs/dbraw/zinc/31/24/21/558312421.db2.gz ALOBEHQVRDUZEP-FSJXIACGSA-N 0 0 422.497 2.510 50 0 HFAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000019943082 558314258 /nfs/dbraw/zinc/31/42/58/558314258.db2.gz MHMVDVWNPBIKFP-UHFFFAOYSA-N 0 0 413.906 2.654 50 0 HFAARN O=C(C[C@]1(O)c2ccccc2N(CN2CCOCC2)C1=O)c1ccc2c(c1)CCCC2 ZINC000019991067 558317392 /nfs/dbraw/zinc/31/73/92/558317392.db2.gz TUEIXNKSSFPTGX-VWLOTQADSA-N 0 0 420.509 2.662 50 0 HFAARN Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2cnc3ncnn3c2)cc1C ZINC000012072663 558317990 /nfs/dbraw/zinc/31/79/90/558317990.db2.gz JLMHLDDVBWPNKB-LJQANCHMSA-N 0 0 401.474 2.663 50 0 HFAARN O=C(CN1CCCC1=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012075126 558319436 /nfs/dbraw/zinc/31/94/36/558319436.db2.gz FBFKSQLPMRGLAK-INIZCTEOSA-N 0 0 412.515 2.610 50 0 HFAARN Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C(F)=C/c1ccccc1)CC2 ZINC000012079872 558320522 /nfs/dbraw/zinc/32/05/22/558320522.db2.gz CORRUUIPDBJAMU-ZCWPUFOUSA-N 0 0 412.465 2.976 50 0 HFAARN CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cn1 ZINC000020044989 558326960 /nfs/dbraw/zinc/32/69/60/558326960.db2.gz UOYNIGWPQDJUSX-UHFFFAOYSA-N 0 0 403.335 2.716 50 0 HFAARN N=c1n(CCCOc2ccc(Br)cc2)c2ccccc2n1CC(N)=O ZINC000020069506 558330579 /nfs/dbraw/zinc/33/05/79/558330579.db2.gz NKKUVVUZWMJIOD-UHFFFAOYSA-N 0 0 403.280 2.639 50 0 HFAARN COc1ccc(-n2c(CCNC(=O)c3ccc4c(c3)OCO4)nnc2SC)cc1 ZINC000012127631 558331481 /nfs/dbraw/zinc/33/14/81/558331481.db2.gz YYZNAZBRAJYZCN-UHFFFAOYSA-N 0 0 412.471 2.699 50 0 HFAARN O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1Cl ZINC000012138718 558334583 /nfs/dbraw/zinc/33/45/83/558334583.db2.gz IBTDMEPDAYZYDF-UHFFFAOYSA-N 0 0 403.891 2.939 50 0 HFAARN O=C1N[C@H](c2ccc3c(c2)OCO3)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000012139895 558334588 /nfs/dbraw/zinc/33/45/88/558334588.db2.gz QVGNNPYQHRKFLA-RKVPGOIHSA-N 0 0 408.332 2.519 50 0 HFAARN O=C([C@H]1Cc2ccccc2O1)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1 ZINC000020208332 558347203 /nfs/dbraw/zinc/34/72/03/558347203.db2.gz HVMVQUIRXHTTEG-FYYLOGMGSA-N 0 0 420.509 2.656 50 0 HFAARN O=C([C@@H]1Cc2ccccc2O1)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1 ZINC000020208328 558347250 /nfs/dbraw/zinc/34/72/50/558347250.db2.gz HVMVQUIRXHTTEG-GGAORHGYSA-N 0 0 420.509 2.656 50 0 HFAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(CCN1CCOCC1)C3=O ZINC000020308541 558354847 /nfs/dbraw/zinc/35/48/47/558354847.db2.gz YCFIIPSQAJEHLX-NRFANRHFSA-N 0 0 404.466 2.979 50 0 HFAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c(C)c1 ZINC000020357026 558357616 /nfs/dbraw/zinc/35/76/16/558357616.db2.gz NHPWEWLLURFCPC-UHFFFAOYSA-N 0 0 419.481 2.729 50 0 HFAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3(C(N)=O)CC3)cc2)c1 ZINC000012297423 558367348 /nfs/dbraw/zinc/36/73/48/558367348.db2.gz KSONDICJHDPZOJ-IBGZPJMESA-N 0 0 407.470 2.557 50 0 HFAARN CSCCCNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000020454121 558368070 /nfs/dbraw/zinc/36/80/70/558368070.db2.gz XLANMVVLJSGZBU-WEVVVXLNSA-N 0 0 414.575 2.989 50 0 HFAARN Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000012299077 558369183 /nfs/dbraw/zinc/36/91/83/558369183.db2.gz YJBYYRRVEQXWOO-UHFFFAOYSA-N 0 0 407.514 2.630 50 0 HFAARN COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)c3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000012301017 558370622 /nfs/dbraw/zinc/37/06/22/558370622.db2.gz QVEZEYLDGISDKL-SFHVURJKSA-N 0 0 412.534 2.828 50 0 HFAARN CCS(=O)(=O)c1ncc(CN(C)Cc2cc3cc(F)ccc3[nH]2)n1CCOC ZINC000012306410 558375359 /nfs/dbraw/zinc/37/53/59/558375359.db2.gz QGGSCGMKRGQURG-UHFFFAOYSA-N 0 0 408.499 2.576 50 0 HFAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000012307229 558375806 /nfs/dbraw/zinc/37/58/06/558375806.db2.gz PMDGMXVXLUPTJH-INIZCTEOSA-N 0 0 406.552 2.732 50 0 HFAARN Cc1cnccc1CN(C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012307815 558376161 /nfs/dbraw/zinc/37/61/61/558376161.db2.gz SDRYSGQIIPAVAS-UHFFFAOYSA-N 0 0 404.430 2.810 50 0 HFAARN CC(C)Cc1nc2oc3c(ncnc3N3CCN(CCO)CC3)c2c2c1CCCC2 ZINC000020503950 558381408 /nfs/dbraw/zinc/38/14/08/558381408.db2.gz HGGMUJQISMOGSR-UHFFFAOYSA-N 0 0 409.534 2.963 50 0 HFAARN CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000020512056 558382366 /nfs/dbraw/zinc/38/23/66/558382366.db2.gz SCYFOEMJTBMQMM-HXUWFJFHSA-N 0 0 423.469 2.885 50 0 HFAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)F)cc1 ZINC000020606948 558388207 /nfs/dbraw/zinc/38/82/07/558388207.db2.gz NYWGZRGGTYMDPD-UHFFFAOYSA-N 0 0 411.368 2.822 50 0 HFAARN Cc1cc2c(nc(C)n(NC(=O)[C@H](C)n3ncc(Br)c3C)c2=O)s1 ZINC000020616390 558392962 /nfs/dbraw/zinc/39/29/62/558392962.db2.gz ZGUAMVFQTUAWJB-VIFPVBQESA-N 0 0 410.297 2.674 50 0 HFAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000012386616 558395369 /nfs/dbraw/zinc/39/53/69/558395369.db2.gz XUJIETYOGRJKRI-MRXNPFEDSA-N 0 0 414.524 2.585 50 0 HFAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCCn1nnnc1CN1CCC(C)CC1 ZINC000012387574 558396365 /nfs/dbraw/zinc/39/63/65/558396365.db2.gz IVGOKDREFWRBKT-GOSISDBHSA-N 0 0 414.554 2.913 50 0 HFAARN NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000012389751 558396898 /nfs/dbraw/zinc/39/68/98/558396898.db2.gz RSPLJOWCUQTTEE-UHFFFAOYSA-N 0 0 400.456 2.625 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(C)=O ZINC000020654164 558397886 /nfs/dbraw/zinc/39/78/86/558397886.db2.gz SLJWOYNOCZTLDC-UHFFFAOYSA-N 0 0 417.531 2.550 50 0 HFAARN CCOC(=O)C1=NO[C@@H](c2c(Br)c3c(c(OC)c2OC)OCO3)[C@H]1C ZINC000012412860 558401482 /nfs/dbraw/zinc/40/14/82/558401482.db2.gz OBKUSRQHGJVYTL-WRWORJQWSA-N 0 0 416.224 2.822 50 0 HFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1F ZINC000020716638 558401589 /nfs/dbraw/zinc/40/15/89/558401589.db2.gz QBKNAORVSQLSHK-FUHWJXTLSA-N 0 0 406.433 2.933 50 0 HFAARN CC[C@@](C)(NC1=NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1)P(=O)(OC)OC ZINC000012418598 558402798 /nfs/dbraw/zinc/40/27/98/558402798.db2.gz VFDIIVCPKAHAKQ-QMMMGPOBSA-N 0 0 414.243 2.678 50 0 HFAARN Cn1c(=O)c2c(nc1N1CCN(C(=O)Cc3ccccc3)CC1)sc1c2CCCC1 ZINC000020726788 558405240 /nfs/dbraw/zinc/40/52/40/558405240.db2.gz BFTFYSRSKNQJPE-UHFFFAOYSA-N 0 0 422.554 2.765 50 0 HFAARN COc1ccccc1CCc1nnc(CCC(=O)NCCCOc2cccnc2)o1 ZINC000012431005 558405754 /nfs/dbraw/zinc/40/57/54/558405754.db2.gz BPZGQGLEAYXRNZ-UHFFFAOYSA-N 0 0 410.474 2.776 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012431929 558406490 /nfs/dbraw/zinc/40/64/90/558406490.db2.gz SAJDYZMZULXQQG-XMMPIXPASA-N 0 0 419.569 2.901 50 0 HFAARN CCS(=O)(=O)c1ncc(CN(C)Cc2c(C)n[nH]c2C)n1Cc1ccccc1 ZINC000012433309 558407183 /nfs/dbraw/zinc/40/71/83/558407183.db2.gz YKFVDBUEJKBSHS-UHFFFAOYSA-N 0 0 401.536 2.697 50 0 HFAARN CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1CCc1ccccc1 ZINC000012433308 558407242 /nfs/dbraw/zinc/40/72/42/558407242.db2.gz SNQHKUKBOAFCSI-UHFFFAOYSA-N 0 0 402.520 2.928 50 0 HFAARN CC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000012433844 558407827 /nfs/dbraw/zinc/40/78/27/558407827.db2.gz FFAIHGLMFPLYRA-KRWDZBQOSA-N 0 0 406.408 2.991 50 0 HFAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC000020736466 558407919 /nfs/dbraw/zinc/40/79/19/558407919.db2.gz CDSKVURPQPHASM-JOCHJYFZSA-N 0 0 415.493 2.735 50 0 HFAARN COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H](C)Cc2cccnc2)c1 ZINC000012434976 558408743 /nfs/dbraw/zinc/40/87/43/558408743.db2.gz CILPCFNPVQZKSA-MRXNPFEDSA-N 0 0 411.502 2.841 50 0 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Cc1nnc2sc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2c1=O ZINC000004347078 558428108 /nfs/dbraw/zinc/42/81/08/558428108.db2.gz MYGGVKCGBNVXGG-UHFFFAOYSA-N 0 0 401.395 2.604 50 0 HFAARN O=C(CC[C@]1(Cc2ccccc2)CCC(=O)N1)NCCCn1nnc2ccccc21 ZINC000012573232 558429953 /nfs/dbraw/zinc/42/99/53/558429953.db2.gz VPHAGJCMKSWPBU-HSZRJFAPSA-N 0 0 405.502 2.609 50 0 HFAARN CCCCc1nn2c(nc(CSCC(=O)Nc3nnc(CC)s3)cc2=O)s1 ZINC000021042179 558430377 /nfs/dbraw/zinc/43/03/77/558430377.db2.gz PNNFHYZQSUJLFS-UHFFFAOYSA-N 0 0 424.577 2.779 50 0 HFAARN Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000012582496 558432817 /nfs/dbraw/zinc/43/28/17/558432817.db2.gz QKUYWMGXYMYAGH-QHCPKHFHSA-N 0 0 416.525 2.892 50 0 HFAARN CC(=O)c1cc2c(cc1NC(=O)CN1c3cccc4cccc(c34)S1(=O)=O)OCO2 ZINC000021280572 558434862 /nfs/dbraw/zinc/43/48/62/558434862.db2.gz BNUZUNGQYCOFCL-UHFFFAOYSA-N 0 0 424.434 2.919 50 0 HFAARN Cc1ccc2c(c1)S[C@H](C(=O)N1CCC(NS(=O)(=O)c3ccccc3)CC1)C2 ZINC000010744415 558435651 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O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000022226109 558466990 /nfs/dbraw/zinc/46/69/90/558466990.db2.gz IBXHAMRWKFABJE-QFIPXVFZSA-N 0 0 407.514 2.612 50 0 HFAARN C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012798108 558470277 /nfs/dbraw/zinc/47/02/77/558470277.db2.gz IIIIIWZQSZGQNV-GOSISDBHSA-N 0 0 406.530 2.724 50 0 HFAARN NC(=O)CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccco1 ZINC000012800276 558471434 /nfs/dbraw/zinc/47/14/34/558471434.db2.gz VVBJWUHKVCXIDA-QGZVFWFLSA-N 0 0 411.487 2.526 50 0 HFAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012803156 558472511 /nfs/dbraw/zinc/47/25/11/558472511.db2.gz PQGZBFDDJSLCKX-OAHLLOKOSA-N 0 0 408.907 2.640 50 0 HFAARN O=C(NC[C@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004374399 558474822 /nfs/dbraw/zinc/47/48/22/558474822.db2.gz OOEBIYKHRNJYMK-HOCLYGCPSA-N 0 0 401.850 2.585 50 0 HFAARN Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCC(=O)N3)c(C)n1-c1nccs1 ZINC000022260459 558474910 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O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012974766 558490600 /nfs/dbraw/zinc/49/06/00/558490600.db2.gz JEPDMWHLORHMRW-UHFFFAOYSA-N 0 0 402.454 2.621 50 0 HFAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000012974901 558490792 /nfs/dbraw/zinc/49/07/92/558490792.db2.gz ATFPSXWNYGQQNQ-UHFFFAOYSA-N 0 0 418.379 2.523 50 0 HFAARN O=C(NCCCNC(=O)C1(c2ccccc2)CCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000022471184 558491481 /nfs/dbraw/zinc/49/14/81/558491481.db2.gz UVJUNKJWNOJEAJ-UHFFFAOYSA-N 0 0 418.497 2.671 50 0 HFAARN O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccc2ccccc21 ZINC000022471151 558491630 /nfs/dbraw/zinc/49/16/30/558491630.db2.gz RNLLXZJDXLUNMU-UHFFFAOYSA-N 0 0 400.438 2.626 50 0 HFAARN O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012983131 558494181 /nfs/dbraw/zinc/49/41/81/558494181.db2.gz IOCZHUAFTMETJH-UHFFFAOYSA-N 0 0 408.520 2.913 50 0 HFAARN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCC(=O)Nc1cc(Cl)ccc1F)C2=O ZINC000022522860 558494945 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CCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000022692238 558504797 /nfs/dbraw/zinc/50/47/97/558504797.db2.gz ZYMVGHLLVJWUJR-HNNXBMFYSA-N 0 0 402.322 2.780 50 0 HFAARN CN1C(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C(=O)C12CCCCC2 ZINC000022739353 558506748 /nfs/dbraw/zinc/50/67/48/558506748.db2.gz TZEFMUPESZSIPF-UHFFFAOYSA-N 0 0 413.503 2.664 50 0 HFAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCCC[C@H]1C ZINC000013040559 558506945 /nfs/dbraw/zinc/50/69/45/558506945.db2.gz MYOWNXCKLWJGHW-MRXNPFEDSA-N 0 0 409.552 2.683 50 0 HFAARN CC[C@@H](C)N(C(=O)COC(=O)c1cc(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000013040554 558506992 /nfs/dbraw/zinc/50/69/92/558506992.db2.gz SILYZCCHOQLXMJ-HZPDHXFCSA-N 0 0 418.515 2.514 50 0 HFAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780654 558510010 /nfs/dbraw/zinc/51/00/10/558510010.db2.gz GLLHYXWLNJEPGF-MRXNPFEDSA-N 0 0 412.563 2.791 50 0 HFAARN COc1ccccc1CCNC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000022780614 558510090 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/nfs/dbraw/zinc/87/95/56/558879556.db2.gz ODVCRJFBVBWKHM-LBPRGKRZSA-N 0 0 404.492 2.616 50 0 HFAARN C[C@@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)c1cccc(-n2cnnc2)c1 ZINC000055393661 558881167 /nfs/dbraw/zinc/88/11/67/558881167.db2.gz AFBOUNDLBCCLRY-OAHLLOKOSA-N 0 0 404.474 2.997 50 0 HFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1nc(-c2ccccc2)ccc1=O ZINC000013800302 558882216 /nfs/dbraw/zinc/88/22/16/558882216.db2.gz FTGMKXBIQAOIKW-INIZCTEOSA-N 0 0 421.453 2.613 50 0 HFAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 ZINC000019420702 558885322 /nfs/dbraw/zinc/88/53/22/558885322.db2.gz MEWJGUJOFHSEPF-OAHLLOKOSA-N 0 0 416.551 2.892 50 0 HFAARN COc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cscn2)cc1 ZINC000033138863 558888993 /nfs/dbraw/zinc/88/89/93/558888993.db2.gz BNUTUQAZNCDHEC-HXUWFJFHSA-N 0 0 409.511 2.738 50 0 biogenic HFAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(NC(=O)c3cccnc3)C(=O)[C@@H]12 ZINC000004676490 558889232 /nfs/dbraw/zinc/88/92/32/558889232.db2.gz WVKYNTDGLAAWCC-YRSZXAOTSA-N 0 0 409.445 2.793 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(Br)c2)s1 ZINC000011225246 558891571 /nfs/dbraw/zinc/89/15/71/558891571.db2.gz VIHNZOOIUYXLBS-UHFFFAOYSA-N 0 0 403.323 2.691 50 0 HFAARN COc1cccc(C(=O)OCC(=O)NCc2ccccc2Br)c1OC ZINC000072333757 558892003 /nfs/dbraw/zinc/89/20/03/558892003.db2.gz YEKFENRWTNQDII-UHFFFAOYSA-N 0 0 408.248 2.940 50 0 HFAARN Cc1ccc(F)cc1NC(=O)Cn1c2ccccc2nc(CCC(=O)NC2CC2)c1=O ZINC000033141614 558893328 /nfs/dbraw/zinc/89/33/28/558893328.db2.gz JOLIERWZEQXGLX-UHFFFAOYSA-N 0 0 422.460 2.694 50 0 HFAARN CC(C)(NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000058005156 558894379 /nfs/dbraw/zinc/89/43/79/558894379.db2.gz FHKRQCALNHGILJ-UHFFFAOYSA-N 0 0 403.504 2.764 50 0 HFAARN O=C(OC1CCCCCC1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000058025769 558896288 /nfs/dbraw/zinc/89/62/88/558896288.db2.gz MXCQEDBQUPVKON-INIZCTEOSA-N 0 0 407.488 2.890 50 0 HFAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)NCc2cccnc2-n2cccn2)c1 ZINC000058066971 558897810 /nfs/dbraw/zinc/89/78/10/558897810.db2.gz GLQAPVVDZIZGLH-UHFFFAOYSA-N 0 0 405.867 2.646 50 0 HFAARN CNC(=O)Cc1ccccc1NC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000058077548 558898001 /nfs/dbraw/zinc/89/80/01/558898001.db2.gz MZBXOMVLCLTSOT-UHFFFAOYSA-N 0 0 420.469 2.711 50 0 HFAARN COc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)cc1NC(C)=O ZINC000058084258 558898194 /nfs/dbraw/zinc/89/81/94/558898194.db2.gz WJAVZKQIKLJJMC-AWEZNQCLSA-N 0 0 405.520 2.629 50 0 HFAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2SC(F)F)C[C@@H](C)O1 ZINC000058086294 558898206 /nfs/dbraw/zinc/89/82/06/558898206.db2.gz UQYAGIHILFAHFD-VXGBXAGGSA-N 0 0 423.507 2.562 50 0 HFAARN COc1ccc(C(=O)NCc2cc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000058115312 558899782 /nfs/dbraw/zinc/89/97/82/558899782.db2.gz UHPHJYYXUHAYRX-UHFFFAOYSA-N 0 0 413.499 2.891 50 0 HFAARN Cn1c2ccccc2nc(N2CCC(NC(=O)NCc3cccc(F)c3)CC2)c1=O ZINC000033169686 558903089 /nfs/dbraw/zinc/90/30/89/558903089.db2.gz XHRRMSZISFXFHR-UHFFFAOYSA-N 0 0 409.465 2.541 50 0 HFAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(C)o1 ZINC000058157740 558903486 /nfs/dbraw/zinc/90/34/86/558903486.db2.gz ZYIVWPGOQQFFRY-AWEZNQCLSA-N 0 0 412.446 2.606 50 0 HFAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2C2CCCC2)cc1OC ZINC000058166517 558906920 /nfs/dbraw/zinc/90/69/20/558906920.db2.gz LSDJBNHHJXKCSG-QGZVFWFLSA-N 0 0 410.536 2.553 50 0 HFAARN CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccc(OC)cc3OC)nc(N)c21 ZINC000058175452 558909160 /nfs/dbraw/zinc/90/91/60/558909160.db2.gz YGDMBMPAQYCLPZ-UHFFFAOYSA-N 0 0 414.462 2.939 50 0 HFAARN CN1c2ccccc2[C@](CC(=O)N2CC(n3cccn3)C2)(Cc2ccccc2)C1=O ZINC000071763254 558910291 /nfs/dbraw/zinc/91/02/91/558910291.db2.gz HMWSSHAAQLNXBE-XMMPIXPASA-N 0 0 400.482 2.814 50 0 HFAARN COCCn1ccc2cc(NS(=O)(=O)c3ccc(OCC(=O)OC)cc3)ccc21 ZINC000058182987 558910443 /nfs/dbraw/zinc/91/04/43/558910443.db2.gz PRNSNAKAAGGCBE-UHFFFAOYSA-N 0 0 418.471 2.640 50 0 HFAARN COc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2=O)cc1 ZINC000058228434 558913911 /nfs/dbraw/zinc/91/39/11/558913911.db2.gz PTYVHGPJHXMJGE-CYBMUJFWSA-N 0 0 411.849 2.547 50 0 HFAARN COc1ccccc1CNC(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000058230195 558913945 /nfs/dbraw/zinc/91/39/45/558913945.db2.gz RCMBBFRELYNRLS-UHFFFAOYSA-N 0 0 423.469 2.831 50 0 HFAARN Cc1sc(=O)n(CC(=O)N[C@@H]2CCCc3c2cnn3C)c1-c1ccc(F)cc1 ZINC000058292351 558916863 /nfs/dbraw/zinc/91/68/63/558916863.db2.gz XXFWBISODFUPPT-MRXNPFEDSA-N 0 0 400.479 2.952 50 0 HFAARN CCCCNC(=O)C1(NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)CCCCC1 ZINC000058310145 558918821 /nfs/dbraw/zinc/91/88/21/558918821.db2.gz ODWGFDLYHYIWIO-INIZCTEOSA-N 0 0 401.507 2.536 50 0 HFAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2nnc(CC(C)C)s2)C1 ZINC000058312000 558919071 /nfs/dbraw/zinc/91/90/71/558919071.db2.gz LDZWWNQGSRHMCE-OAHLLOKOSA-N 0 0 401.492 2.873 50 0 HFAARN CCCn1c2ccccc2n(CCC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1=O ZINC000058313784 558919075 /nfs/dbraw/zinc/91/90/75/558919075.db2.gz MXBBPSVCHDYXRF-OAQYLSRUSA-N 0 0 418.501 2.935 50 0 HFAARN Cc1cc2nc(C)c(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)c2cc1C ZINC000033254774 558919407 /nfs/dbraw/zinc/91/94/07/558919407.db2.gz DYGCAYAZTNVXIC-UHFFFAOYSA-N 0 0 404.514 2.666 50 0 HFAARN COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000058343153 558920748 /nfs/dbraw/zinc/92/07/48/558920748.db2.gz PEMARZBCVVWEPF-HNNXBMFYSA-N 0 0 418.318 2.518 50 0 HFAARN COc1ccc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000019561054 558921872 /nfs/dbraw/zinc/92/18/72/558921872.db2.gz NWMCSEAOPPKMDL-UHFFFAOYSA-N 0 0 400.475 2.679 50 0 HFAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000033253975 558922169 /nfs/dbraw/zinc/92/21/69/558922169.db2.gz NOQBHYPOFNCMIW-UHFFFAOYSA-N 0 0 421.519 2.582 50 0 HFAARN CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033253973 558922200 /nfs/dbraw/zinc/92/22/00/558922200.db2.gz FSIZAGZMNKJNPG-UHFFFAOYSA-N 0 0 409.483 2.713 50 0 HFAARN Cc1ccccc1-c1nnc2ccc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)nn21 ZINC000033260199 558926085 /nfs/dbraw/zinc/92/60/85/558926085.db2.gz IQAONCQIKILSIU-GOSISDBHSA-N 0 0 420.517 2.611 50 0 HFAARN COc1ccc(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)c(C)c1 ZINC000072116005 558927009 /nfs/dbraw/zinc/92/70/09/558927009.db2.gz NXYRLABOTGGGMH-UHFFFAOYSA-N 0 0 407.478 2.642 50 0 HFAARN COc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)c(C)c1 ZINC000072117645 558927527 /nfs/dbraw/zinc/92/75/27/558927527.db2.gz SVLZPWYCDDRLMX-UHFFFAOYSA-N 0 0 421.505 2.950 50 0 HFAARN CCCNC(=O)[C@@H]1CCCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)C1 ZINC000033259684 558928600 /nfs/dbraw/zinc/92/86/00/558928600.db2.gz OAMMPRGTTOMCSD-LJQANCHMSA-N 0 0 419.529 2.891 50 0 HFAARN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000072140567 558929339 /nfs/dbraw/zinc/92/93/39/558929339.db2.gz MGTDJYNWHOLAOA-UHFFFAOYSA-N 0 0 405.545 2.597 50 0 HFAARN CC[C@H](C)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000058714527 558929609 /nfs/dbraw/zinc/92/96/09/558929609.db2.gz ZSKLBALRXVLPAE-INIZCTEOSA-N 0 0 420.579 2.937 50 0 HFAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccoc1 ZINC000072152494 558929776 /nfs/dbraw/zinc/92/97/76/558929776.db2.gz GEQJYAWLNWVOLT-JOCHJYFZSA-N 0 0 403.482 2.954 50 0 HFAARN Cc1nn(Cc2noc(C(=O)NCCc3ccccc3)n2)c(C)c1Br ZINC000004726653 558932012 /nfs/dbraw/zinc/93/20/12/558932012.db2.gz ATFGCXILFKGGKW-UHFFFAOYSA-N 0 0 404.268 2.666 50 0 HFAARN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263444 558932457 /nfs/dbraw/zinc/93/24/57/558932457.db2.gz VWONHACVTAYMTD-CQSZACIVSA-N 0 0 415.519 2.559 50 0 HFAARN CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(C(=O)N2CCCC2)c1 ZINC000059280772 558933408 /nfs/dbraw/zinc/93/34/08/558933408.db2.gz HNOPUIOSWXQCMP-UHFFFAOYSA-N 0 0 400.500 2.646 50 0 HFAARN Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000097940958 558946015 /nfs/dbraw/zinc/94/60/15/558946015.db2.gz YBICBTHFXCVCFH-UHFFFAOYSA-N 0 0 402.476 2.813 50 0 HFAARN COC(=O)c1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)Nc2cc(C)on2)cc1 ZINC000011204594 558947050 /nfs/dbraw/zinc/94/70/50/558947050.db2.gz SXNTYXJIVVSMCF-MRXNPFEDSA-N 0 0 400.460 2.543 50 0 HFAARN CCCCn1c(N)c(N(C)C(=O)c2ccc(-c3ccccc3F)o2)c(=O)[nH]c1=O ZINC000019623895 558947109 /nfs/dbraw/zinc/94/71/09/558947109.db2.gz KEQSDEZIODITIP-UHFFFAOYSA-N 0 0 400.410 2.595 50 0 HFAARN Cc1cccc2c(C(=O)N3CCN(c4cnccn4)CC3)cc(-c3cnn(C)c3)nc12 ZINC000063871039 558960467 /nfs/dbraw/zinc/96/04/67/558960467.db2.gz AOMOFIATCDJVAT-UHFFFAOYSA-N 0 0 413.485 2.696 50 0 HFAARN O=C([C@@H]1C[C@@H](n2cnnn2)CN1Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000064058185 558961812 /nfs/dbraw/zinc/96/18/12/558961812.db2.gz NVWFDHXGCHLZNM-MSOLQXFVSA-N 0 0 422.455 2.910 50 0 HFAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(F)cc1 ZINC000064591333 558964468 /nfs/dbraw/zinc/96/44/68/558964468.db2.gz LALJJPQVASFQSH-UHFFFAOYSA-N 0 0 406.373 2.670 50 0 HFAARN CCOc1ccc(-n2ccn3c(CCCC(=O)NC4CCCC4)nnc3c2=O)cc1 ZINC000064591649 558964630 /nfs/dbraw/zinc/96/46/30/558964630.db2.gz IQZFBROLIMFLBW-UHFFFAOYSA-N 0 0 409.490 2.660 50 0 HFAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)cc1OCC(N)=O ZINC000072404053 558969899 /nfs/dbraw/zinc/96/98/99/558969899.db2.gz PZEQBUVLBZXTRB-CQSZACIVSA-N 0 0 412.471 2.989 50 0 HFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)nc(C)n2)n1 ZINC000065361796 558972490 /nfs/dbraw/zinc/97/24/90/558972490.db2.gz WBFLTNAAKHRYKE-GOSISDBHSA-N 0 0 420.517 2.704 50 0 HFAARN CS(=O)(=O)N1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000065363719 558974778 /nfs/dbraw/zinc/97/47/78/558974778.db2.gz FIIJBZDNCPYFBB-UHFFFAOYSA-N 0 0 420.506 2.693 50 0 HFAARN Cc1ccc(CNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000021944170 558978096 /nfs/dbraw/zinc/97/80/96/558978096.db2.gz WVJRSDKHVNMYNW-UHFFFAOYSA-N 0 0 413.477 2.836 50 0 HFAARN Cc1cc(C)n(C)c(=O)c1C(=O)Nc1cccnc1-n1cc(Br)cn1 ZINC000072404481 558978241 /nfs/dbraw/zinc/97/82/41/558978241.db2.gz MWDFKWCWAIWGEE-UHFFFAOYSA-N 0 0 402.252 2.598 50 0 HFAARN CC(C)Oc1cccc2c1c(NC(=O)CN1CCOC1=O)nn2CC(F)(F)F ZINC000072423777 558978596 /nfs/dbraw/zinc/97/85/96/558978596.db2.gz PWZLASDOGLPDOJ-UHFFFAOYSA-N 0 0 400.357 2.777 50 0 HFAARN CCCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCC[C@H]1O ZINC000072437022 558980529 /nfs/dbraw/zinc/98/05/29/558980529.db2.gz SENDCFQKZWPBNH-IAGOWNOFSA-N 0 0 414.593 2.691 50 0 HFAARN OC[C@@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C[C@H]1CO ZINC000072453892 558982896 /nfs/dbraw/zinc/98/28/96/558982896.db2.gz KTZSFAZKVTVCFZ-GJZGRUSLSA-N 0 0 420.391 2.854 50 0 HFAARN COc1ccc(OC)c(NC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)c1 ZINC000033069072 558983267 /nfs/dbraw/zinc/98/32/67/558983267.db2.gz UCIRASMIVHHCGX-UHFFFAOYSA-N 0 0 424.388 2.847 50 0 HFAARN COc1ccc(CNC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)cc1 ZINC000033069077 558983270 /nfs/dbraw/zinc/98/32/70/558983270.db2.gz IXIAERAGBDVAFY-UHFFFAOYSA-N 0 0 408.389 2.516 50 0 HFAARN Brc1cc2c(cc1Cn1nnc(-c3ccc4c(c3)OCO4)n1)OCO2 ZINC000004727790 558984795 /nfs/dbraw/zinc/98/47/95/558984795.db2.gz PQLJFFFWNVLVGX-UHFFFAOYSA-N 0 0 403.192 2.608 50 0 HFAARN CCn1c2cc(C)c(NC(=O)c3ccc(OC)c(OC)c3)cc2n(CC)c(=O)c1=O ZINC000033265655 558985867 /nfs/dbraw/zinc/98/58/67/558985867.db2.gz RRECKPWEBGMPEP-UHFFFAOYSA-N 0 0 411.458 2.781 50 0 HFAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)n1 ZINC000067601842 558987547 /nfs/dbraw/zinc/98/75/47/558987547.db2.gz KXDQIKHRRIBEEA-UHFFFAOYSA-N 0 0 415.501 2.652 50 0 HFAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 ZINC000067603744 558988144 /nfs/dbraw/zinc/98/81/44/558988144.db2.gz KPGQFPKGUBTBOL-UHFFFAOYSA-N 0 0 412.881 2.595 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 ZINC000067604240 558988376 /nfs/dbraw/zinc/98/83/76/558988376.db2.gz IUHLJPHWGFTVJY-UHFFFAOYSA-N 0 0 413.869 2.678 50 0 HFAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000067621252 558989729 /nfs/dbraw/zinc/98/97/29/558989729.db2.gz CZHBNLOGTZCSPH-UHFFFAOYSA-N 0 0 403.273 2.932 50 0 HFAARN COc1cccc(NC(=O)CCc2nc(CS(=O)(=O)c3ccc(F)cc3)no2)c1 ZINC000033268440 558991773 /nfs/dbraw/zinc/99/17/73/558991773.db2.gz JTIGBOGPJHHGQH-UHFFFAOYSA-N 0 0 419.434 2.763 50 0 HFAARN O=C(CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1)Nc1ccc(F)cc1 ZINC000033268453 558991779 /nfs/dbraw/zinc/99/17/79/558991779.db2.gz KBTTZFQVNRQCMS-UHFFFAOYSA-N 0 0 407.398 2.893 50 0 HFAARN Cc1cc(N2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)nc2ccccc12 ZINC000067803338 558993201 /nfs/dbraw/zinc/99/32/01/558993201.db2.gz ACXSUOPXOHAFQF-HSZRJFAPSA-N 0 0 401.470 2.890 50 0 HFAARN COc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NS(=O)(=O)c2ccccc2)cc1F ZINC000097138195 558996571 /nfs/dbraw/zinc/99/65/71/558996571.db2.gz QRDQZGVITGBGOW-YEWWUXTCSA-N 0 0 419.478 2.808 50 0 HFAARN CCCc1c(C(=O)NCCc2nnc(-c3ccccc3)n2C)[nH]c(C)c1C(=O)OC ZINC000097143756 558997010 /nfs/dbraw/zinc/99/70/10/558997010.db2.gz BHQZTYWHZPOSHG-UHFFFAOYSA-N 0 0 409.490 2.830 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N(C)C)oc1C ZINC000097151679 558997319 /nfs/dbraw/zinc/99/73/19/558997319.db2.gz ONQXPOCKGMFOEM-UHFFFAOYSA-N 0 0 402.476 2.895 50 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421.548 2.760 50 0 HFAARN O=C(c1ccccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000004850455 559190578 /nfs/dbraw/zinc/19/05/78/559190578.db2.gz PHQICVITQOQBSA-UHFFFAOYSA-N 0 0 410.492 2.541 50 0 HFAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccccc1 ZINC000004853570 559192010 /nfs/dbraw/zinc/19/20/10/559192010.db2.gz KEEKUKNFSUXNAB-UHFFFAOYSA-N 0 0 411.389 2.566 50 0 HFAARN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000004874215 559195026 /nfs/dbraw/zinc/19/50/26/559195026.db2.gz QJBDNGLGNFUWKI-SFHVURJKSA-N 0 0 400.525 2.954 50 0 HFAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3C)c2N)cc1Cl ZINC000004878023 559195742 /nfs/dbraw/zinc/19/57/42/559195742.db2.gz UUCJWUJQYJZHTK-UHFFFAOYSA-N 0 0 414.853 2.722 50 0 HFAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3ccccc3CC)cc2oc1=O ZINC000004884222 559197563 /nfs/dbraw/zinc/19/75/63/559197563.db2.gz YHMZTJHQRUTMNX-UHFFFAOYSA-N 0 0 404.444 2.521 50 0 HFAARN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nncn2-c2ccccc2F)cc1 ZINC000004890444 559197996 /nfs/dbraw/zinc/19/79/96/559197996.db2.gz JLJORDQOABATKB-UHFFFAOYSA-N 0 0 413.478 2.904 50 0 HFAARN Cc1cccc(CCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)c1 ZINC000004907394 559200697 /nfs/dbraw/zinc/20/06/97/559200697.db2.gz UIVZHCBDSRNKRL-UHFFFAOYSA-N 0 0 417.465 2.624 50 0 HFAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc32)C1)c1ccccc1 ZINC000004909456 559201366 /nfs/dbraw/zinc/20/13/66/559201366.db2.gz MQXSXTRWQVPFQM-ZBFHGGJFSA-N 0 0 414.487 2.501 50 0 HFAARN Cc1ccc(NC(=O)Cc2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)cc1 ZINC000004906504 559201845 /nfs/dbraw/zinc/20/18/45/559201845.db2.gz PTSRBJPHPGLLDG-ROUUACIJSA-N 0 0 415.540 2.857 50 0 HFAARN CC(=O)[C@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2cccc(Cl)c2C)n(C)c1=O ZINC000004912062 559203781 /nfs/dbraw/zinc/20/37/81/559203781.db2.gz CTGDUCDESSWCKZ-LBPRGKRZSA-N 0 0 413.865 2.559 50 0 HFAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)cc1 ZINC000004916577 559204280 /nfs/dbraw/zinc/20/42/80/559204280.db2.gz XTIIXSLTDLIYEK-UHFFFAOYSA-N 0 0 413.503 2.721 50 0 HFAARN CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000004935354 559210329 /nfs/dbraw/zinc/21/03/29/559210329.db2.gz VWTRNRXYGAXTFF-NSHDSACASA-N 0 0 405.545 2.844 50 0 HFAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NN3CCOCC3)c(C)c12 ZINC000004936231 559210753 /nfs/dbraw/zinc/21/07/53/559210753.db2.gz DGRPVAUAHSRALC-UHFFFAOYSA-N 0 0 407.518 2.950 50 0 HFAARN Cn1c(=O)c2c(SCC(=O)Nc3cccc4ccccc43)ccnc2n(C)c1=O ZINC000004942166 559213352 /nfs/dbraw/zinc/21/33/52/559213352.db2.gz HIBJYAYXDUQJPM-UHFFFAOYSA-N 0 0 406.467 2.516 50 0 HFAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000004940625 559213525 /nfs/dbraw/zinc/21/35/25/559213525.db2.gz URRFCIKQOYTRQR-CYBMUJFWSA-N 0 0 402.447 2.728 50 0 HFAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CSC3)cc1 ZINC000004941676 559213858 /nfs/dbraw/zinc/21/38/58/559213858.db2.gz ILISQKODGKRHNA-UHFFFAOYSA-N 0 0 408.483 2.883 50 0 HFAARN Cc1cc(OCC(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)ccc1Cl ZINC000004960013 559216953 /nfs/dbraw/zinc/21/69/53/559216953.db2.gz SAKYYOIVFJFZCA-HNNXBMFYSA-N 0 0 405.834 2.527 50 0 HFAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc43)ccc21 ZINC000004971676 559220787 /nfs/dbraw/zinc/22/07/87/559220787.db2.gz ZGWBJSISHKEVDS-UHFFFAOYSA-N 0 0 412.511 2.739 50 0 HFAARN CC1CCN(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000004985113 559224307 /nfs/dbraw/zinc/22/43/07/559224307.db2.gz QETZMQYKUJPKSA-SFHVURJKSA-N 0 0 414.527 2.891 50 0 HFAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000005009862 559227868 /nfs/dbraw/zinc/22/78/68/559227868.db2.gz ZFMHRZGFAOKHNN-XYSGSMRZSA-N 0 0 408.454 2.547 50 0 HFAARN CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O ZINC000005016445 559228392 /nfs/dbraw/zinc/22/83/92/559228392.db2.gz MIAKYVOBKVHSAB-UHFFFAOYSA-N 0 0 402.520 2.913 50 0 HFAARN CCc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000005032884 559231500 /nfs/dbraw/zinc/23/15/00/559231500.db2.gz AIKBBXJPPIPLBM-UHFFFAOYSA-N 0 0 408.849 2.832 50 0 HFAARN CCc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1 ZINC000005031643 559231893 /nfs/dbraw/zinc/23/18/93/559231893.db2.gz OXIYDBWQLQIGAB-UHFFFAOYSA-N 0 0 402.458 2.546 50 0 HFAARN COc1cc(-c2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000005034706 559232864 /nfs/dbraw/zinc/23/28/64/559232864.db2.gz HWYLJLDCSWUBEV-UHFFFAOYSA-N 0 0 407.423 2.534 50 0 HFAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c1 ZINC000005043301 559236208 /nfs/dbraw/zinc/23/62/08/559236208.db2.gz RXZPPOAJTBDGPJ-UHFFFAOYSA-N 0 0 422.485 2.955 50 0 HFAARN CCOC(CNC(=O)C[S@](=O)Cc1nc(-c2ccc(C)cc2)oc1C)OCC ZINC000005057994 559238216 /nfs/dbraw/zinc/23/82/16/559238216.db2.gz TYLIPWWKEUXYQQ-NDEPHWFRSA-N 0 0 408.520 2.722 50 0 HFAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCCCC3)c(C)o2)cc1OC ZINC000005058252 559238422 /nfs/dbraw/zinc/23/84/22/559238422.db2.gz CZMUVHJRBZSZEN-MUUNZHRXSA-N 0 0 406.504 2.928 50 0 HFAARN Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000005054363 559239057 /nfs/dbraw/zinc/23/90/57/559239057.db2.gz ZEEHAXFXAKOMIZ-UHFFFAOYSA-N 0 0 412.562 2.752 50 0 HFAARN COc1ccc(CCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 ZINC000005075970 559241070 /nfs/dbraw/zinc/24/10/70/559241070.db2.gz OPATWLYDVMOFBE-UHFFFAOYSA-N 0 0 404.488 2.815 50 0 HFAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1c(OC)cccc1OC ZINC000005075967 559241120 /nfs/dbraw/zinc/24/11/20/559241120.db2.gz JMJCIHWGSJGKCX-UHFFFAOYSA-N 0 0 406.460 2.505 50 0 HFAARN CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN12 ZINC000005093309 559244166 /nfs/dbraw/zinc/24/41/66/559244166.db2.gz YKXAFAZSOADFAX-SLFFLAALSA-N 0 0 418.449 2.955 50 0 HFAARN COc1ncccc1NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000409414470 559249918 /nfs/dbraw/zinc/24/99/18/559249918.db2.gz RHBYFYZTSJRIJE-LJQANCHMSA-N 0 0 416.437 2.928 50 0 HFAARN CC(C)c1nnc(NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)[nH]1 ZINC000409413129 559250570 /nfs/dbraw/zinc/25/05/70/559250570.db2.gz DICPNCWALMJPIS-KRWDZBQOSA-N 0 0 418.457 2.766 50 0 HFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000005144263 559252369 /nfs/dbraw/zinc/25/23/69/559252369.db2.gz XWTYOUOJJVCDTM-AWEZNQCLSA-N 0 0 411.487 2.971 50 0 HFAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)sc2n1 ZINC000005149015 559253096 /nfs/dbraw/zinc/25/30/96/559253096.db2.gz PZQMSWLDYLGYLT-AWEZNQCLSA-N 0 0 417.922 2.646 50 0 HFAARN NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1ccccc1 ZINC000005151387 559253922 /nfs/dbraw/zinc/25/39/22/559253922.db2.gz ZENLUGMDAAHBTC-UHFFFAOYSA-N 0 0 410.231 2.637 50 0 HFAARN COc1cccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)c1 ZINC000005152821 559254202 /nfs/dbraw/zinc/25/42/02/559254202.db2.gz CVFFIDLGLHRFJC-NRFANRHFSA-N 0 0 419.481 2.825 50 0 HFAARN CCS(=O)(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037580611 559255491 /nfs/dbraw/zinc/25/54/91/559255491.db2.gz BDGHJTTXVGDUKZ-UHFFFAOYSA-N 0 0 406.483 2.716 50 0 HFAARN COc1cccc(-n2nnc3c2ncnc3SCC(=O)NCCc2ccccc2)c1 ZINC000011758646 559258070 /nfs/dbraw/zinc/25/80/70/559258070.db2.gz WKDOHAANIUMSJM-UHFFFAOYSA-N 0 0 420.498 2.670 50 0 HFAARN COc1ccc(NC(C)=O)cc1NC(=O)CCCSc1ccc(NC(C)=O)nn1 ZINC000011793488 559259562 /nfs/dbraw/zinc/25/95/62/559259562.db2.gz ANTTYJFMGMEKRO-UHFFFAOYSA-N 0 0 417.491 2.913 50 0 HFAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c(C)c1 ZINC000011858184 559262861 /nfs/dbraw/zinc/26/28/61/559262861.db2.gz DABSSTOUWKCPNC-OAHLLOKOSA-N 0 0 422.528 2.725 50 0 HFAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccn1C)N1CCCC1 ZINC000011898324 559265494 /nfs/dbraw/zinc/26/54/94/559265494.db2.gz JCIPDMQBYRGNBT-KRWDZBQOSA-N 0 0 404.898 2.579 50 0 HFAARN CC[C@@H]1CN(CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000011910689 559265931 /nfs/dbraw/zinc/26/59/31/559265931.db2.gz JFQYMOUCDXDNDM-GOSISDBHSA-N 0 0 423.517 2.619 50 0 HFAARN CCN(c1ccccc1)S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904776 559266337 /nfs/dbraw/zinc/26/63/37/559266337.db2.gz CUCADXODIGDRFS-UHFFFAOYSA-N 0 0 422.528 2.585 50 0 HFAARN Cc1cccc(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c1C ZINC000011906445 559266729 /nfs/dbraw/zinc/26/67/29/559266729.db2.gz OLBWKOYJCUSHAI-UHFFFAOYSA-N 0 0 422.528 2.788 50 0 HFAARN COc1ccc(-c2cc(C(=O)Nc3cccnc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011906931 559266736 /nfs/dbraw/zinc/26/67/36/559266736.db2.gz AYYNCNDKOAMJFX-MRXNPFEDSA-N 0 0 412.471 2.566 50 0 HFAARN COc1ccc(-c2cc(C(=O)Nc3nccs3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011996938 559270213 /nfs/dbraw/zinc/27/02/13/559270213.db2.gz SEUFVXVBKGAXAI-ZDUSSCGKSA-N 0 0 418.500 2.627 50 0 HFAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2cc(OC)ccc2OC)C1 ZINC000248317554 559270533 /nfs/dbraw/zinc/27/05/33/559270533.db2.gz NFTRSCAXXPGNKG-APWZRJJASA-N 0 0 404.507 2.642 50 0 HFAARN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)c1 ZINC000012003587 559270797 /nfs/dbraw/zinc/27/07/97/559270797.db2.gz CKRTWMVMSANKTI-UHFFFAOYSA-N 0 0 421.862 2.617 50 0 HFAARN O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000136831332 559278612 /nfs/dbraw/zinc/27/86/12/559278612.db2.gz AETXDEKUQJECHY-QNFHRHJVSA-N 0 0 407.857 2.771 50 0 HFAARN COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000797255 559279937 /nfs/dbraw/zinc/27/99/37/559279937.db2.gz CHPAPTSDPCPNQG-UHFFFAOYSA-N 0 0 410.879 2.622 50 0 HFAARN O=C(CNC(=O)COc1ccccc1)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000061636291 559286894 /nfs/dbraw/zinc/28/68/94/559286894.db2.gz ZXALNSDXJINLDW-UHFFFAOYSA-N 0 0 414.465 2.837 50 0 HFAARN CCOC(=O)C1=C(COC(=O)c2c(C)onc2CC)NC(=O)N[C@@H]1c1ccccc1 ZINC000005167878 559287067 /nfs/dbraw/zinc/28/70/67/559287067.db2.gz CIUKWOOLYNPOKZ-GOSISDBHSA-N 0 0 413.430 2.574 50 0 HFAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2OC)C1=O ZINC000005168038 559287121 /nfs/dbraw/zinc/28/71/21/559287121.db2.gz GHXWNPAMZILQNV-JOCHJYFZSA-N 0 0 413.449 2.650 50 0 HFAARN COc1cccc2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc21 ZINC000005181764 559289589 /nfs/dbraw/zinc/28/95/89/559289589.db2.gz BAMIBKCDLRUTCH-QGZVFWFLSA-N 0 0 411.483 2.794 50 0 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Cn1c2ccccc2c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)nc21 ZINC000000720573 568466738 /nfs/dbraw/zinc/46/67/38/568466738.db2.gz DMCHQDMHGXBHMZ-UHFFFAOYSA-N 0 0 407.455 2.654 50 0 HFAARN COc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)c([N+](=O)[O-])cc1OC ZINC000000725305 568467410 /nfs/dbraw/zinc/46/74/10/568467410.db2.gz PLABMGPEPIGHGQ-OVCLIPMQSA-N 0 0 411.370 2.915 50 0 HFAARN COc1cccc(NC(=O)CCNC(=O)c2cc3c(cc(OC)cc3OC)n2C)c1 ZINC000012321174 568470599 /nfs/dbraw/zinc/47/05/99/568470599.db2.gz QACUMUVNGXCILD-UHFFFAOYSA-N 0 0 411.458 2.963 50 0 HFAARN COC(=O)c1cc(OC(=O)CCc2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 ZINC000007058724 568470743 /nfs/dbraw/zinc/47/07/43/568470743.db2.gz UMFJBIMOIRIBEA-UHFFFAOYSA-N 0 0 402.399 2.815 50 0 HFAARN COc1ccc(-n2cc3c(c2-c2ccc(F)cc2)c(=O)n(C)c(=O)n3C)cc1OC ZINC000012322848 568471110 /nfs/dbraw/zinc/47/11/10/568471110.db2.gz NQAVVORXOODMHI-UHFFFAOYSA-N 0 0 409.417 2.851 50 0 HFAARN COc1cc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc(OC)c1 ZINC000012323549 568471398 /nfs/dbraw/zinc/47/13/98/568471398.db2.gz SOWZMTVASRFQCL-UHFFFAOYSA-N 0 0 404.224 2.694 50 0 HFAARN CCOC(=O)c1cnc(SCC(=O)OCc2nc3ccccc3s2)nc1N ZINC000007147926 568472661 /nfs/dbraw/zinc/47/26/61/568472661.db2.gz XBDKSNXDRIKOJM-UHFFFAOYSA-N 0 0 404.473 2.681 50 0 HFAARN CN(CCCNC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccccc1 ZINC000007484065 568480891 /nfs/dbraw/zinc/48/08/91/568480891.db2.gz AMJQJWGMNJSKTH-UHFFFAOYSA-N 0 0 414.510 2.533 50 0 HFAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)c(C)c1 ZINC000000803260 568485684 /nfs/dbraw/zinc/48/56/84/568485684.db2.gz JNJXMYRXMWQFNY-UHFFFAOYSA-N 0 0 401.532 2.724 50 0 HFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3OC)C2)cc1OC ZINC000000808245 568487294 /nfs/dbraw/zinc/48/72/94/568487294.db2.gz GWHYACZLGQYAMS-MRXNPFEDSA-N 0 0 420.487 2.832 50 0 HFAARN CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CCc1ccccc1)C2=O ZINC000000806617 568487669 /nfs/dbraw/zinc/48/76/69/568487669.db2.gz KKRCDTNLEMKQDM-JOCHJYFZSA-N 0 0 422.510 2.740 50 0 HFAARN Cc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1ccccc1Br ZINC000008069916 568489943 /nfs/dbraw/zinc/48/99/43/568489943.db2.gz OUWNKFCOBCBWHI-UHFFFAOYSA-N 0 0 405.248 2.669 50 0 HFAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000008166610 568493443 /nfs/dbraw/zinc/49/34/43/568493443.db2.gz PABUPGDWATXZEX-UHFFFAOYSA-N 0 0 408.907 2.885 50 0 HFAARN COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O ZINC000000812754 568493821 /nfs/dbraw/zinc/49/38/21/568493821.db2.gz XFTUVZSOQFZKMK-UHFFFAOYSA-N 0 0 415.471 2.979 50 0 HFAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008231401 568495100 /nfs/dbraw/zinc/49/51/00/568495100.db2.gz SCNLDGKGRBWJCO-UHFFFAOYSA-N 0 0 404.470 2.934 50 0 HFAARN CC(C)N(C)S(=O)(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000057992052 568498466 /nfs/dbraw/zinc/49/84/66/568498466.db2.gz NGBAFUWPXJVSHM-OAHLLOKOSA-N 0 0 407.458 2.544 50 0 HFAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(-n2cnnn2)c1 ZINC000008394515 568499251 /nfs/dbraw/zinc/49/92/51/568499251.db2.gz SFOXSXHDOLMFCV-UHFFFAOYSA-N 0 0 400.446 2.900 50 0 HFAARN Cc1ccccc1CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000022781618 568499536 /nfs/dbraw/zinc/49/95/36/568499536.db2.gz WDDRNRUCTVMUQK-IBGZPJMESA-N 0 0 406.530 2.877 50 0 HFAARN O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCc1cccnc1 ZINC000032987139 568510513 /nfs/dbraw/zinc/51/05/13/568510513.db2.gz JPRYVGUIKOROKA-UHFFFAOYSA-N 0 0 417.491 2.874 50 0 HFAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc(-c2ccccc2Cl)no1 ZINC000024978281 568517761 /nfs/dbraw/zinc/51/77/61/568517761.db2.gz UGXSEJJBTWTOTF-NSHDSACASA-N 0 0 404.879 2.989 50 0 HFAARN C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3csc(-c4ccccn4)n3)cc21 ZINC000019942695 568585943 /nfs/dbraw/zinc/58/59/43/568585943.db2.gz PQEBJIKYFBZEQK-GFCCVEGCSA-N 0 0 414.512 2.782 50 0 HFAARN COc1cc(C(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc(OC)c1OC ZINC000390831146 568592321 /nfs/dbraw/zinc/59/23/21/568592321.db2.gz PZBHXUQLBVZYSH-IBGZPJMESA-N 0 0 419.499 2.714 50 0 HFAARN CCn1cc(-c2noc(CNC(=O)c3cc(OC)ccc3Br)n2)cn1 ZINC000390831676 568592497 /nfs/dbraw/zinc/59/24/97/568592497.db2.gz UBWBEBQYYZOLJP-UHFFFAOYSA-N 0 0 406.240 2.654 50 0 HFAARN COc1cccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4cc(F)ccc43)n2)c1 ZINC000094993144 568593957 /nfs/dbraw/zinc/59/39/57/568593957.db2.gz XDFLXBCNKJWZAP-UHFFFAOYSA-N 0 0 420.444 2.829 50 0 HFAARN COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1OC ZINC000020287572 568597162 /nfs/dbraw/zinc/59/71/62/568597162.db2.gz NKIBGHXIPWMGGL-VFNWGFHPSA-N 0 0 404.532 2.886 50 0 HFAARN COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1OC ZINC000020287570 568597229 /nfs/dbraw/zinc/59/72/29/568597229.db2.gz NKIBGHXIPWMGGL-BTYIYWSLSA-N 0 0 404.532 2.886 50 0 HFAARN O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NC(=O)Nc1ccccc1 ZINC000095347394 568599967 /nfs/dbraw/zinc/59/99/67/568599967.db2.gz LGBMZWVGQUERPN-UHFFFAOYSA-N 0 0 409.515 2.762 50 0 HFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000080337619 568602128 /nfs/dbraw/zinc/60/21/28/568602128.db2.gz UTOQGHNYMFKOAC-QGZVFWFLSA-N 0 0 408.502 2.744 50 0 HFAARN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000080338448 568602480 /nfs/dbraw/zinc/60/24/80/568602480.db2.gz IJGWCKNDZJARTJ-CQSZACIVSA-N 0 0 420.435 2.958 50 0 HFAARN C[C@H](NC(=O)c1[nH]c2ccc(Br)cc2c1Cl)C(=O)N1CCOCC1 ZINC000095385781 568603675 /nfs/dbraw/zinc/60/36/75/568603675.db2.gz KYJKUKCBNLAUIP-VIFPVBQESA-N 0 0 414.687 2.561 50 0 HFAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(Cl)c1C)N(C)CC3)OCO2 ZINC000020412853 568605735 /nfs/dbraw/zinc/60/57/35/568605735.db2.gz HMNCRJABNGESIS-KRWDZBQOSA-N 0 0 413.865 2.939 50 0 biogenic HFAARN CCN1CCN(C(=O)[C@H](C)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1 ZINC000020416898 568606309 /nfs/dbraw/zinc/60/63/09/568606309.db2.gz YFHAJWKJKDKBPW-SFHVURJKSA-N 0 0 407.518 2.529 50 0 HFAARN CC1CCN(c2c(=O)c(=O)c2NCC2CCC(C(=O)Nc3ccccn3)CC2)CC1 ZINC000020418614 568606562 /nfs/dbraw/zinc/60/65/62/568606562.db2.gz LKUHYPFGODDNMC-UHFFFAOYSA-N 0 0 410.518 2.771 50 0 HFAARN COC(=O)c1c(NC(=O)CN(C)c2ccccc2C(N)=O)sc2c1CCCC2 ZINC000095410742 568606690 /nfs/dbraw/zinc/60/66/90/568606690.db2.gz AKHAQXWGJLRECX-UHFFFAOYSA-N 0 0 401.488 2.587 50 0 HFAARN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@]2(S1)SC(C(=O)OC)=C(C)N2C ZINC000020442368 568607811 /nfs/dbraw/zinc/60/78/11/568607811.db2.gz JEVMKALRGVRQAY-SFHVURJKSA-N 0 0 423.516 2.819 50 0 HFAARN CC(C)c1cc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)nn1-c1ccncc1 ZINC000095431972 568609170 /nfs/dbraw/zinc/60/91/70/568609170.db2.gz UKBINMDQQDPLLM-QUCCMNQESA-N 0 0 412.490 2.718 50 0 HFAARN COCCN(CCOC)c1nccc(C(F)(F)F)c1I ZINC000095437076 568609662 /nfs/dbraw/zinc/60/96/62/568609662.db2.gz ARXBCYBUNNERDI-UHFFFAOYSA-N 0 0 404.170 2.804 50 0 HFAARN COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1 ZINC000020486234 568613206 /nfs/dbraw/zinc/61/32/06/568613206.db2.gz ZMXPPPZTWBNAOT-UHFFFAOYSA-N 0 0 416.484 2.550 50 0 HFAARN O=C(Cn1ccn(Cc2ccccc2)c(=O)c1=O)Nc1ccccc1C(F)(F)F ZINC000020488699 568613741 /nfs/dbraw/zinc/61/37/41/568613741.db2.gz YOVCVXJUMVQUAX-UHFFFAOYSA-N 0 0 403.360 2.716 50 0 HFAARN O=C(Nc1ccccc1)c1nnc(CN2CCC[C@@H]2C(=O)Nc2nccs2)s1 ZINC000095454788 568616195 /nfs/dbraw/zinc/61/61/95/568616195.db2.gz ASNCLRFEAFUXIH-CYBMUJFWSA-N 0 0 414.516 2.850 50 0 HFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)cc1 ZINC000095457308 568618366 /nfs/dbraw/zinc/61/83/66/568618366.db2.gz DZLQAYMISKKQLP-UHFFFAOYSA-N 0 0 421.482 2.923 50 0 HFAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)cc1 ZINC000020511493 568621567 /nfs/dbraw/zinc/62/15/67/568621567.db2.gz MQGVXJFDVKFFTM-LJQANCHMSA-N 0 0 407.580 2.833 50 0 HFAARN CCn1c(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCN(C)CC3)CC2)cc2ccccc21 ZINC000095464874 568622841 /nfs/dbraw/zinc/62/28/41/568622841.db2.gz BGIQACDYQNEIOW-LJQANCHMSA-N 0 0 408.546 2.678 50 0 HFAARN CSc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000020530368 568626533 /nfs/dbraw/zinc/62/65/33/568626533.db2.gz UTXYXDPYMVDYLW-UHFFFAOYSA-N 0 0 417.512 2.557 50 0 HFAARN CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1F ZINC000095471642 568627039 /nfs/dbraw/zinc/62/70/39/568627039.db2.gz QSNIMDWEFROQQE-UHFFFAOYSA-N 0 0 408.451 2.782 50 0 HFAARN Cc1nn(C)c(C)c1CNC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000095475555 568629905 /nfs/dbraw/zinc/62/99/05/568629905.db2.gz NMYFNAYOMWEEOD-UHFFFAOYSA-N 0 0 401.470 2.730 50 0 HFAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000095475548 568629965 /nfs/dbraw/zinc/62/99/65/568629965.db2.gz HKKKWWYCDHFXJP-QVKFZJNVSA-N 0 0 401.894 2.717 50 0 HFAARN COc1ccc2[nH]cc(CCNC(=O)Cn3c(C)nc4ccc(F)cc4c3=O)c2c1 ZINC000095476569 568630403 /nfs/dbraw/zinc/63/04/03/568630403.db2.gz GZPLZOHDMNWNQC-UHFFFAOYSA-N 0 0 408.433 2.693 50 0 HFAARN CCc1nc2cc(OC)c(OC)cc2c(=O)n1CCNC(=O)c1ccc2[nH]ccc2c1 ZINC000095477330 568631011 /nfs/dbraw/zinc/63/10/11/568631011.db2.gz GKWJESJXABDDOT-UHFFFAOYSA-N 0 0 420.469 2.887 50 0 HFAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc43)C2=O)cc1 ZINC000095477280 568631013 /nfs/dbraw/zinc/63/10/13/568631013.db2.gz FIGFQGWCYODIDV-LJQANCHMSA-N 0 0 404.426 2.897 50 0 HFAARN COC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Cl)nn2)cc1C(F)(F)F ZINC000225397231 568634103 /nfs/dbraw/zinc/63/41/03/568634103.db2.gz XSLKCYUXBCTVAA-UHFFFAOYSA-N 0 0 409.773 2.761 50 0 HFAARN Cc1cncn1C1CCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000225400112 568634191 /nfs/dbraw/zinc/63/41/91/568634191.db2.gz DHGFZHXIBKXDCP-HSALFYBXSA-N 0 0 412.534 2.721 50 0 HFAARN Cc1ccc(Br)c(CC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)n1 ZINC000225414751 568635443 /nfs/dbraw/zinc/63/54/43/568635443.db2.gz DFAJZVFWKMXCGG-HNNXBMFYSA-N 0 0 403.324 2.995 50 0 HFAARN C[NH+](C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020645360 568639057 /nfs/dbraw/zinc/63/90/57/568639057.db2.gz NIJFRYNRMDOHQG-UHFFFAOYSA-N 0 0 416.934 2.678 50 0 HFAARN COc1ccc(C(=O)N2CCC[C@@H](N(CC(=O)OC(C)(C)C)C(C)=O)CC2)cc1 ZINC000225468912 568640631 /nfs/dbraw/zinc/64/06/31/568640631.db2.gz GMBJEBQTWRKLKB-GOSISDBHSA-N 0 0 404.507 2.880 50 0 HFAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000020858018 568645660 /nfs/dbraw/zinc/64/56/60/568645660.db2.gz DFZAXXDUSLNXPZ-LJQANCHMSA-N 0 0 414.483 2.558 50 0 HFAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc21 ZINC000020860401 568645911 /nfs/dbraw/zinc/64/59/11/568645911.db2.gz OPXLYRVFXVZQOS-UHFFFAOYSA-N 0 0 411.527 2.895 50 0 HFAARN O=C(c1ccccc1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 ZINC000020860876 568645958 /nfs/dbraw/zinc/64/59/58/568645958.db2.gz BSIRKJPTUVMMJW-UHFFFAOYSA-N 0 0 402.433 2.893 50 0 HFAARN Cc1cc2c(cc3c(=O)n(CCCC(=O)NCc4ccc5c(c4)OCO5)nc(C)n23)o1 ZINC000020862158 568646281 /nfs/dbraw/zinc/64/62/81/568646281.db2.gz RIFVRYKPBOBHSO-UHFFFAOYSA-N 0 0 422.441 2.684 50 0 HFAARN CC1CCN(C(=O)C2CCN(c3nn4c(nc5c(c4=O)CCCC5)s3)CC2)CC1 ZINC000020864279 568646428 /nfs/dbraw/zinc/64/64/28/568646428.db2.gz LCTLFSJUTWQSGD-UHFFFAOYSA-N 0 0 415.563 2.505 50 0 HFAARN CCCc1cc(=O)n2nc(N(C)CC(=O)Nc3cccc(SC)c3)sc2n1 ZINC000020866017 568646620 /nfs/dbraw/zinc/64/66/20/568646620.db2.gz VJWVPVVTWKGAKQ-UHFFFAOYSA-N 0 0 403.533 2.900 50 0 HFAARN CCOC(=O)[C@@H](OC(=O)c1cnn2cc(Br)cnc12)c1ncccc1C ZINC000225526429 568647304 /nfs/dbraw/zinc/64/73/04/568647304.db2.gz KXTDUPYWKJNKNG-AWEZNQCLSA-N 0 0 419.235 2.656 50 0 HFAARN CCN1C(=O)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)[C@@H]1Cc1ccccc1 ZINC000225558727 568650991 /nfs/dbraw/zinc/65/09/91/568650991.db2.gz BXTJTNYILQSUFI-IBGZPJMESA-N 0 0 404.470 2.884 50 0 HFAARN CCOc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)cc1 ZINC000020933340 568652217 /nfs/dbraw/zinc/65/22/17/568652217.db2.gz CHCOPKWMIACQSH-UHFFFAOYSA-N 0 0 423.408 2.754 50 0 HFAARN C[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000020935823 568652425 /nfs/dbraw/zinc/65/24/25/568652425.db2.gz IIVKJMPRRVGZNT-ZDUSSCGKSA-N 0 0 417.462 2.580 50 0 HFAARN Cc1noc2ncnc(N3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)c12 ZINC000020945343 568653415 /nfs/dbraw/zinc/65/34/15/568653415.db2.gz CBIJGXGNFSIPKW-MRXNPFEDSA-N 0 0 424.480 2.631 50 0 HFAARN CCCC(=O)Nc1nnc(SCc2cc(=O)n3nc(CCC)sc3n2)s1 ZINC000020984573 568655061 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/nfs/dbraw/zinc/92/85/10/568928510.db2.gz HYZNTHKNZPMBLD-UHFFFAOYSA-N 0 0 424.885 2.534 50 0 HFAARN O=C1C[C@@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CN1C1CCCC1 ZINC000670453416 568928873 /nfs/dbraw/zinc/92/88/73/568928873.db2.gz LMONYDXHRFWSQK-LBPRGKRZSA-N 0 0 406.426 2.655 50 0 HFAARN COc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)cc1 ZINC000004189387 568929255 /nfs/dbraw/zinc/92/92/55/568929255.db2.gz BMSQHRQVGYUNDV-FQEVSTJZSA-N 0 0 420.473 2.534 50 0 HFAARN COc1cccc(/C=C/C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)c1 ZINC000025890736 568929468 /nfs/dbraw/zinc/92/94/68/568929468.db2.gz ABNPIEBAEJZBJP-IZZDOVSWSA-N 0 0 402.472 2.796 50 0 HFAARN Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000012741811 568929784 /nfs/dbraw/zinc/92/97/84/568929784.db2.gz BDMKXPGWLUAFAW-SFHVURJKSA-N 0 0 408.433 2.778 50 0 HFAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000003957794 568930130 /nfs/dbraw/zinc/93/01/30/568930130.db2.gz UAZNTAOCDKFQRG-UHFFFAOYSA-N 0 0 407.492 2.730 50 0 HFAARN O=C(NC1CCCC1)[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000003957698 568930267 /nfs/dbraw/zinc/93/02/67/568930267.db2.gz VBSHFCSMXKLJAB-KRWDZBQOSA-N 0 0 416.528 2.770 50 0 HFAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)OCO2 ZINC000031754318 568930379 /nfs/dbraw/zinc/93/03/79/568930379.db2.gz VMKYULPPZZJZHH-UHFFFAOYSA-N 0 0 406.485 2.570 50 0 HFAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1ccc(F)cc1 ZINC000031751896 568930381 /nfs/dbraw/zinc/93/03/81/568930381.db2.gz ZXBVDBXCCMUUJK-CYBMUJFWSA-N 0 0 410.492 2.605 50 0 HFAARN Cc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773628 568930884 /nfs/dbraw/zinc/93/08/84/568930884.db2.gz CIYXTGXGFIQZMT-VQTJNVASSA-N 0 0 418.946 2.705 50 0 HFAARN COc1ccc2[nH]c(CNC(=O)c3cnn4c3nc(C)cc4C(F)(F)F)nc2c1 ZINC000670455059 568930991 /nfs/dbraw/zinc/93/09/91/568930991.db2.gz GZYXCIKWUDVWDU-UHFFFAOYSA-N 0 0 404.352 2.871 50 0 HFAARN CC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1 ZINC000012746195 568931481 /nfs/dbraw/zinc/93/14/81/568931481.db2.gz BUGYQQONZAGTLH-UHFFFAOYSA-N 0 0 401.385 2.672 50 0 HFAARN CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012746710 568932770 /nfs/dbraw/zinc/93/27/70/568932770.db2.gz RUZFUFOCIOPPAD-ZQDZILKHSA-N 0 0 416.499 2.618 50 0 HFAARN C[C@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43/C=N/O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000004023381 568933737 /nfs/dbraw/zinc/93/37/37/568933737.db2.gz HSAWPLMZZCZALC-VYFUXLOHSA-N 0 0 401.503 2.965 50 0 biogenic HFAARN CN(C)c1nc(NC2CC2)nc(Oc2ccc(=O)n(Cc3ccc(Cl)cc3)n2)n1 ZINC000016650899 568935149 /nfs/dbraw/zinc/93/51/49/568935149.db2.gz RUDXVZVXJNDQBG-UHFFFAOYSA-N 0 0 413.869 2.563 50 0 HFAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000016652026 568935678 /nfs/dbraw/zinc/93/56/78/568935678.db2.gz RXNUJJASSSUTHT-UHFFFAOYSA-N 0 0 407.492 2.648 50 0 HFAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccccc2OC)C(=O)[C@]31C ZINC000004043914 568936267 /nfs/dbraw/zinc/93/62/67/568936267.db2.gz LCVHUDRPZRSJNX-DEOSSOPVSA-N 0 0 419.481 2.827 50 0 biogenic HFAARN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1OC ZINC000004078203 568938784 /nfs/dbraw/zinc/93/87/84/568938784.db2.gz WGLVNVRUOHWUAE-CQSZACIVSA-N 0 0 418.515 2.522 50 0 HFAARN O=C(NC[C@H]1CCCO1)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000004086219 568940363 /nfs/dbraw/zinc/94/03/63/568940363.db2.gz CHNVSSCDEGMGJM-XDCJIHQESA-N 0 0 401.466 2.933 50 0 biogenic HFAARN CC[C@H](C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC ZINC000012752741 568941469 /nfs/dbraw/zinc/94/14/69/568941469.db2.gz ODUZEFXRVHITJR-BLLLJJGKSA-N 0 0 418.943 2.688 50 0 HFAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000084177555 568941508 /nfs/dbraw/zinc/94/15/08/568941508.db2.gz ZHCGVBFZHXXCML-IFMALSPDSA-N 0 0 416.543 2.754 50 0 HFAARN COc1cccc(-c2nc(C[S@](=O)CC(=O)NCCCOC(C)C)c(C)o2)c1 ZINC000004099327 568942601 /nfs/dbraw/zinc/94/26/01/568942601.db2.gz JLQREHPIDKQANH-MUUNZHRXSA-N 0 0 408.520 2.839 50 0 HFAARN C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000012757684 568943236 /nfs/dbraw/zinc/94/32/36/568943236.db2.gz ZGDIUOUDWAZLKH-CYBMUJFWSA-N 0 0 417.512 2.861 50 0 HFAARN COCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c(c1=O)S[C@H](C)C2 ZINC000004108079 568943736 /nfs/dbraw/zinc/94/37/36/568943736.db2.gz JPSYLIZCUNNIEM-GFCCVEGCSA-N 0 0 421.544 2.666 50 0 HFAARN O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccco1 ZINC000004122767 568945003 /nfs/dbraw/zinc/94/50/03/568945003.db2.gz UQDQSZNDHSYILP-UHFFFAOYSA-N 0 0 405.348 2.812 50 0 HFAARN O=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012767103 568948904 /nfs/dbraw/zinc/94/89/04/568948904.db2.gz KMKZAFAEKHBLIN-UHFFFAOYSA-N 0 0 423.494 2.649 50 0 HFAARN O=C(NCc1ccc(OC2CCCC2)nc1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000084425569 568948924 /nfs/dbraw/zinc/94/89/24/568948924.db2.gz YQHGBBCOTUJUGB-UHFFFAOYSA-N 0 0 400.523 2.947 50 0 HFAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CCOCC2)cc1 ZINC000004181356 568949380 /nfs/dbraw/zinc/94/93/80/568949380.db2.gz FRTWQKFNJMQQBU-UHFFFAOYSA-N 0 0 424.497 2.855 50 0 HFAARN CCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004182967 568949555 /nfs/dbraw/zinc/94/95/55/568949555.db2.gz RPFGGWOYCCWKJI-GOSISDBHSA-N 0 0 403.500 2.923 50 0 HFAARN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Br)s1 ZINC000084502032 568949733 /nfs/dbraw/zinc/94/97/33/568949733.db2.gz UKGBSZBGBABGHP-NWDGAFQWSA-N 0 0 415.334 2.578 50 0 HFAARN Cn1ccnc1[C@@](O)(CCNC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000059300757 568950228 /nfs/dbraw/zinc/95/02/28/568950228.db2.gz GFSALTQLQXPTMN-MFKMUULPSA-N 0 0 402.339 2.544 50 0 HFAARN COc1ccc2cc3c(N)nn(C(=O)CCS(=O)(=O)c4ccccc4)c3nc2c1 ZINC000004939975 568950715 /nfs/dbraw/zinc/95/07/15/568950715.db2.gz GVBSWAAKTGLPST-UHFFFAOYSA-N 0 0 410.455 2.680 50 0 HFAARN Cc1ccc(NC(=O)CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccccc2)cc1 ZINC000004193467 568950842 /nfs/dbraw/zinc/95/08/42/568950842.db2.gz YFOPECVAKOKIPK-ROUUACIJSA-N 0 0 415.540 2.709 50 0 HFAARN CCOc1cc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl ZINC000670461183 568951311 /nfs/dbraw/zinc/95/13/11/568951311.db2.gz KNZCETGMCSDDSI-ZDUSSCGKSA-N 0 0 400.928 2.666 50 0 HFAARN COCCn1c(C)cc(C(=O)COC(=O)C[C@H](NC(C)=O)c2ccccc2)c1C ZINC000004219894 568952217 /nfs/dbraw/zinc/95/22/17/568952217.db2.gz JSRDHZSPTTWEHR-FQEVSTJZSA-N 0 0 400.475 2.745 50 0 HFAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)CC1=O ZINC000059403644 568952826 /nfs/dbraw/zinc/95/28/26/568952826.db2.gz IFVGMHXSOYUHGB-AWEZNQCLSA-N 0 0 421.457 2.871 50 0 HFAARN CC[C@H](C)N(C(=O)CSc1nc(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000004240866 568953349 /nfs/dbraw/zinc/95/33/49/568953349.db2.gz PUBZTEOPXPSATL-ZFWWWQNUSA-N 0 0 407.561 2.845 50 0 HFAARN COc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000004250048 568954515 /nfs/dbraw/zinc/95/45/15/568954515.db2.gz QREXXGVSFVJEAM-UHFFFAOYSA-N 0 0 407.455 2.824 50 0 HFAARN Cc1c(C)n2c(nnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c1=O ZINC000004250474 568954582 /nfs/dbraw/zinc/95/45/82/568954582.db2.gz AYQHYZVMKSQPLI-UHFFFAOYSA-N 0 0 413.381 2.664 50 0 HFAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccc(Oc2ccccc2)cc1 ZINC000004250687 568954835 /nfs/dbraw/zinc/95/48/35/568954835.db2.gz ZGFAALXBMGADBU-UHFFFAOYSA-N 0 0 401.426 2.776 50 0 HFAARN COCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(F)cc1 ZINC000004251577 568955319 /nfs/dbraw/zinc/95/53/19/568955319.db2.gz FMTNTZOITQGLHM-SFHVURJKSA-N 0 0 405.451 2.521 50 0 HFAARN C[C@H]1C[C@H](OC(=O)CSc2nccn2-c2ccc(Br)cc2)C(=O)O1 ZINC000084686054 568955563 /nfs/dbraw/zinc/95/55/63/568955563.db2.gz FWQFBYPGSHBHDG-GWCFXTLKSA-N 0 0 411.277 2.974 50 0 HFAARN COCCOc1ncccc1NC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000084700223 568956036 /nfs/dbraw/zinc/95/60/36/568956036.db2.gz ZVUAVZUZZRJABB-SCLBCKFNSA-N 0 0 401.438 2.624 50 0 HFAARN O=C(Nc1cccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1)c1cccs1 ZINC000012778566 568956162 /nfs/dbraw/zinc/95/61/62/568956162.db2.gz PIFVIJFETOIEFT-UHFFFAOYSA-N 0 0 412.515 2.974 50 0 HFAARN Cn1c(=O)c2c(SCc3ccccn3)nc(-c3cccc(F)c3)nc2n(C)c1=O ZINC000004271739 568957157 /nfs/dbraw/zinc/95/71/57/568957157.db2.gz AKVLTELYWHDCKM-UHFFFAOYSA-N 0 0 409.446 2.521 50 0 HFAARN O=C(Cn1cc(C(=O)C(=O)NC[C@H]2CCCO2)c2ccccc21)N1CCCCCC1 ZINC000004272403 568957377 /nfs/dbraw/zinc/95/73/77/568957377.db2.gz PVBVHBSBDYSSPW-QGZVFWFLSA-N 0 0 411.502 2.522 50 0 HFAARN CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)cc1 ZINC000004272690 568957454 /nfs/dbraw/zinc/95/74/54/568957454.db2.gz CXVLQEUTUYTJGO-LJQANCHMSA-N 0 0 424.476 2.665 50 0 HFAARN O=C(NCCn1ccc2ccccc21)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000004272704 568957652 /nfs/dbraw/zinc/95/76/52/568957652.db2.gz MBPAQYWMPUCIEX-QGZVFWFLSA-N 0 0 420.469 2.517 50 0 HFAARN CCCCOc1ccc(-c2nnc(CN3CC[C@@H](S(=O)(=O)NC4CC4)C3)o2)cc1 ZINC000084746709 568957933 /nfs/dbraw/zinc/95/79/33/568957933.db2.gz YQWWZKFDCQPVBA-GOSISDBHSA-N 0 0 420.535 2.572 50 0 HFAARN COc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(C)cc4)CC3)n2)cc1 ZINC000012782834 568958788 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569046622 /nfs/dbraw/zinc/04/66/22/569046622.db2.gz BSNKUIPPHSFRLO-SFHVURJKSA-N 0 0 408.430 2.806 50 0 HFAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000006413894 569046910 /nfs/dbraw/zinc/04/69/10/569046910.db2.gz JAQQXBRSBKZRDE-MRCUWXFGSA-N 0 0 400.456 2.870 50 0 HFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3coc(Br)c3)CC2)cc1 ZINC000012981573 569047278 /nfs/dbraw/zinc/04/72/78/569047278.db2.gz NIDTWVPCCPFDIB-UHFFFAOYSA-N 0 0 406.280 2.747 50 0 HFAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCN(C)C[C@@H]1c1ccccc1)C2=O ZINC000012983231 569047367 /nfs/dbraw/zinc/04/73/67/569047367.db2.gz KFLPQXAISUUMDM-OAQYLSRUSA-N 0 0 405.498 2.887 50 0 HFAARN CCOC(=O)c1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc(C(=O)OCC)c1 ZINC000012986177 569047868 /nfs/dbraw/zinc/04/78/68/569047868.db2.gz PQLRUOGWCXGHLU-UHFFFAOYSA-N 0 0 419.455 2.696 50 0 HFAARN Cc1ccccc1C1=NO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)C1 ZINC000006872204 569048135 /nfs/dbraw/zinc/04/81/35/569048135.db2.gz QMFSIRBMFBOUKD-VXKWHMMOSA-N 0 0 407.514 2.988 50 0 HFAARN C[C@H](NC(=O)C1CCCC1)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000040142906 569048163 /nfs/dbraw/zinc/04/81/63/569048163.db2.gz QSDNPUGXILCRER-DLRWLJPMSA-N 0 0 415.515 2.534 50 0 HFAARN Cc1ccc(C2=N/C(=C(/NCCNc3ccccc3)N3CCOCC3)C(=O)O2)cc1 ZINC000035671838 569048505 /nfs/dbraw/zinc/04/85/05/569048505.db2.gz KJRDPAUILSYWBI-MRCUWXFGSA-N 0 0 406.486 2.501 50 0 HFAARN CSc1ccc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000012999388 569049109 /nfs/dbraw/zinc/04/91/09/569049109.db2.gz CHIDYQCDDFZLSD-UHFFFAOYSA-N 0 0 406.548 2.717 50 0 HFAARN COc1cc(Br)c(CCNC(=O)CCNC(=O)C(C)(C)C)cc1OC ZINC000013004330 569049703 /nfs/dbraw/zinc/04/97/03/569049703.db2.gz HLPNJACIILYSPS-UHFFFAOYSA-N 0 0 415.328 2.677 50 0 HFAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000035684809 569050031 /nfs/dbraw/zinc/05/00/31/569050031.db2.gz ZODXWYQMFNUTOZ-UHFFFAOYSA-N 0 0 411.527 2.974 50 0 HFAARN COc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)Nc3nc4ccccc4s3)cc2c1OC ZINC000035686246 569050520 /nfs/dbraw/zinc/05/05/20/569050520.db2.gz VXZMHRSRACOUHB-LLVKDONJSA-N 0 0 424.482 3.552 50 0 HFAARN Cc1oc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000013019613 569051011 /nfs/dbraw/zinc/05/10/11/569051011.db2.gz UNRFDZGRKGYCCH-UHFFFAOYSA-N 0 0 406.389 2.805 50 0 HFAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013020514 569051126 /nfs/dbraw/zinc/05/11/26/569051126.db2.gz UNONLFYLPSAIEG-CYBMUJFWSA-N 0 0 408.907 2.947 50 0 HFAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)CC2 ZINC000524729066 569051583 /nfs/dbraw/zinc/05/15/83/569051583.db2.gz BHVCPZVCYWBAQO-QIJLZVCCSA-N 0 0 419.547 2.533 50 0 biogenic HFAARN O=c1oc2ccccc2c2c1[C@H](c1cc3cccc4c3n(c1=O)CC4)C1=CNNC1=N2 ZINC000524730743 569051708 /nfs/dbraw/zinc/05/17/08/569051708.db2.gz VXPZKSNTXZHBNN-GOSISDBHSA-N 0 0 408.417 2.831 50 0 biogenic HFAARN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)c(C)c1 ZINC000006446442 569053002 /nfs/dbraw/zinc/05/30/02/569053002.db2.gz TUCIXXVNCLWQMS-UHFFFAOYSA-N 0 0 418.515 2.771 50 0 HFAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)cc1 ZINC000245256356 569055531 /nfs/dbraw/zinc/05/55/31/569055531.db2.gz PPCULKCDHKMEBI-WKILWMFISA-N 0 0 403.504 2.814 50 0 HFAARN CCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 ZINC000001828598 569056259 /nfs/dbraw/zinc/05/62/59/569056259.db2.gz SMLILUAQOHSRQU-HMMYKYKNSA-N 0 0 419.506 2.829 50 0 HFAARN COc1ccccc1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000006461466 569057311 /nfs/dbraw/zinc/05/73/11/569057311.db2.gz LQRARHMEFPQZJH-UHFFFAOYSA-N 0 0 403.456 2.519 50 0 HFAARN CCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)S(=O)(=O)c1ccccc1 ZINC000035767833 569058115 /nfs/dbraw/zinc/05/81/15/569058115.db2.gz NHBRWTUQRVHDCM-LJQANCHMSA-N 0 0 420.531 2.888 50 0 HFAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)N1CCc2ccccc21 ZINC000006476219 569058538 /nfs/dbraw/zinc/05/85/38/569058538.db2.gz QILAZZHQCXOJOM-UHFFFAOYSA-N 0 0 412.446 2.820 50 0 HFAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)cc1 ZINC000089365300 569058716 /nfs/dbraw/zinc/05/87/16/569058716.db2.gz ZUMDCMFLNOFUEQ-PMACEKPBSA-N 0 0 418.515 2.554 50 0 HFAARN CN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000089374941 569059133 /nfs/dbraw/zinc/05/91/33/569059133.db2.gz ZSGVFCQXMGSUPY-HXUWFJFHSA-N 0 0 406.486 2.733 50 0 HFAARN COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1 ZINC000006479627 569059253 /nfs/dbraw/zinc/05/92/53/569059253.db2.gz OJLOMQZXUVGPHH-UHFFFAOYSA-N 0 0 411.483 2.799 50 0 HFAARN Cc1ccc2c(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000016586946 569059574 /nfs/dbraw/zinc/05/95/74/569059574.db2.gz FSMGRBOMVVWYIC-UHFFFAOYSA-N 0 0 416.474 2.747 50 0 HFAARN CCn1cc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C)n1 ZINC000006490252 569059722 /nfs/dbraw/zinc/05/97/22/569059722.db2.gz GQQXQLJPBYAKIA-GDBMZVCRSA-N 0 0 422.526 2.629 50 0 HFAARN CCCn1c(CCC(=O)Nc2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000016598175 569060450 /nfs/dbraw/zinc/06/04/50/569060450.db2.gz DXUDWQLJRSMVBT-UHFFFAOYSA-N 0 0 416.503 2.674 50 0 HFAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(c2ccccc2)CC1 ZINC000012324645 569061527 /nfs/dbraw/zinc/06/15/27/569061527.db2.gz FWZMQYVTHMQSQE-UHFFFAOYSA-N 0 0 417.513 2.584 50 0 biogenic HFAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)NC(=O)c1ccco1 ZINC000054251216 569061557 /nfs/dbraw/zinc/06/15/57/569061557.db2.gz KURAETWJRUGZPS-UHFFFAOYSA-N 0 0 402.384 2.608 50 0 HFAARN CC(=O)N1CCN(C(=O)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000006508796 569061917 /nfs/dbraw/zinc/06/19/17/569061917.db2.gz OCBDLKGWQBEIFI-UHFFFAOYSA-N 0 0 415.877 2.662 50 0 HFAARN CCCCN(C(=O)c1cccc(OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000006510039 569062008 /nfs/dbraw/zinc/06/20/08/569062008.db2.gz QLUJCFGZCGJKEK-UHFFFAOYSA-N 0 0 422.485 2.623 50 0 HFAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc2c(c1)OCCO2 ZINC000006528214 569063253 /nfs/dbraw/zinc/06/32/53/569063253.db2.gz VWKVXFWMOAXLET-UHFFFAOYSA-N 0 0 420.454 2.688 50 0 HFAARN O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035870530 569064005 /nfs/dbraw/zinc/06/40/05/569064005.db2.gz IAPBAUOGIMQDKN-IFMALSPDSA-N 0 0 417.488 2.800 50 0 HFAARN CCN(CC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000006552455 569065324 /nfs/dbraw/zinc/06/53/24/569065324.db2.gz KZKIORSGQGHULW-UHFFFAOYSA-N 0 0 409.486 2.846 50 0 HFAARN CCN(CC)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)n(C)c(=O)c(=O)n2C ZINC000064526249 569065843 /nfs/dbraw/zinc/06/58/43/569065843.db2.gz CZVVXNCXTPUNAR-UHFFFAOYSA-N 0 0 414.893 2.989 50 0 HFAARN COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000006560935 569066059 /nfs/dbraw/zinc/06/60/59/569066059.db2.gz TXYPYBHVOGHCIE-NSHDSACASA-N 0 0 416.817 2.515 50 0 HFAARN Cn1nc(-c2nc(-c3cccc(F)c3)no2)c2c1CCN(C(=O)c1cccnc1)C2 ZINC000064566341 569067174 /nfs/dbraw/zinc/06/71/74/569067174.db2.gz RBVSRPDWRLYVBL-UHFFFAOYSA-N 0 0 404.405 2.870 50 0 HFAARN COCC(=O)NCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000035946454 569067445 /nfs/dbraw/zinc/06/74/45/569067445.db2.gz TXSCCTJQLQWZNZ-LJQANCHMSA-N 0 0 415.877 2.789 50 0 HFAARN CCNC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035949035 569067901 /nfs/dbraw/zinc/06/79/01/569067901.db2.gz VOSWTFQBBMHQEU-OAHLLOKOSA-N 0 0 414.487 2.816 50 0 HFAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NC3CC3)C(C)C)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966268 569069036 /nfs/dbraw/zinc/06/90/36/569069036.db2.gz ZQFOJCKZFNBVCP-LEWJYISDSA-N 0 0 424.545 2.789 50 0 HFAARN COc1ccc(CNC(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)cc1 ZINC000064591158 569069316 /nfs/dbraw/zinc/06/93/16/569069316.db2.gz LFQCGFYAGMOHGI-UHFFFAOYSA-N 0 0 409.490 2.808 50 0 HFAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1)c1ccccc1 ZINC000169356441 569069439 /nfs/dbraw/zinc/06/94/39/569069439.db2.gz KMLLVZXSZHLJHM-AJYBTWMASA-N 0 0 407.580 2.799 50 0 HFAARN Cc1n[nH]cc1CCCNC(=O)[C@@H](C)CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000089534571 569069953 /nfs/dbraw/zinc/06/99/53/569069953.db2.gz UYCLPJNSBZAPHN-AWEZNQCLSA-N 0 0 415.925 2.828 50 0 HFAARN Cc1n[nH]cc1CCCNC(=O)[C@H](C)CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000089534574 569069997 /nfs/dbraw/zinc/06/99/97/569069997.db2.gz UYCLPJNSBZAPHN-CQSZACIVSA-N 0 0 415.925 2.828 50 0 HFAARN Cc1cc(C(=O)COC(=O)c2ccc3n[nH]c(=O)n3c2)c(C)n1Cc1ccc(F)cc1 ZINC000089577856 569070428 /nfs/dbraw/zinc/07/04/28/569070428.db2.gz NREJHRRRRNNMCL-UHFFFAOYSA-N 0 0 422.416 2.668 50 0 HFAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCC2 ZINC000004749138 569071404 /nfs/dbraw/zinc/07/14/04/569071404.db2.gz BAUQELIGAWYSBS-UHFFFAOYSA-N 0 0 406.529 2.900 50 0 HFAARN COc1ccc(N2C(=O)C[C@@H](N3CCc4c5cc(OC)ccc5[nH]c4C3)C2=O)cc1 ZINC000036369981 569071725 /nfs/dbraw/zinc/07/17/25/569071725.db2.gz ODEZDEHVYVUQHN-OAQYLSRUSA-N 0 0 405.454 2.875 50 0 biogenic HFAARN Cc1nnc(CCNC(=O)c2csc(N3CCN(c4ccccc4)CC3)n2)s1 ZINC000426399433 569072803 /nfs/dbraw/zinc/07/28/03/569072803.db2.gz QHKYSQOMBMKRSG-UHFFFAOYSA-N 0 0 414.560 2.602 50 0 HFAARN 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COC(=O)CN(CCC(F)(F)F)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000079058636 569426214 /nfs/dbraw/zinc/42/62/14/569426214.db2.gz FFCKDXQLWQWKNV-UHFFFAOYSA-N 0 0 420.388 2.857 50 0 HFAARN CN1CCCc2ccc(S(=O)(=O)NCc3ccnc(OCC(F)(F)F)c3)cc21 ZINC000079061109 569426336 /nfs/dbraw/zinc/42/63/36/569426336.db2.gz APUWBEMQEBOLTM-UHFFFAOYSA-N 0 0 415.437 2.884 50 0 HFAARN Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccccc2OCCO)cs1 ZINC000079067047 569426517 /nfs/dbraw/zinc/42/65/17/569426517.db2.gz KYIMIMLNHWFGMJ-UHFFFAOYSA-N 0 0 415.471 2.527 50 0 HFAARN O=C(NCCNc1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000079067794 569426554 /nfs/dbraw/zinc/42/65/54/569426554.db2.gz ICWKDANKISXTTA-UHFFFAOYSA-N 0 0 402.458 2.778 50 0 HFAARN COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C(N)=O)CC[C@@H]1C(F)(F)F ZINC000079075068 569426957 /nfs/dbraw/zinc/42/69/57/569426957.db2.gz DLLADMPAVGUCGB-IINYFYTJSA-N 0 0 407.820 2.724 50 0 HFAARN COCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(C)c1 ZINC000079112480 569428223 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/nfs/dbraw/zinc/07/39/71/571073971.db2.gz KXWYYGCPSLWMEE-UHFFFAOYSA-N 0 0 423.900 2.996 50 0 HFAARN CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)c3ccsc3)n2)CC1 ZINC000038739657 571075605 /nfs/dbraw/zinc/07/56/05/571075605.db2.gz AZAHGZLCPRSSND-UHFFFAOYSA-N 0 0 422.532 2.737 50 0 HFAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2cccc(F)c2)c1 ZINC000067316811 571075891 /nfs/dbraw/zinc/07/58/91/571075891.db2.gz CASHIVBKOKKTKF-UHFFFAOYSA-N 0 0 423.444 2.734 50 0 HFAARN O=C(C[C@@H]1CSC2=N[C@H]3CCCC[C@@H]3C(=O)N21)NCc1cc(-c2ccco2)on1 ZINC000038754449 571079187 /nfs/dbraw/zinc/07/91/87/571079187.db2.gz CVTDEPZBYSSBEE-ILXRZTDVSA-N 0 0 414.487 2.813 50 0 HFAARN COc1ccc(NC(=O)C2=NN(CC(=O)Nc3cc(C)cc(C)c3)C(=O)CC2)cc1 ZINC000067336704 571080016 /nfs/dbraw/zinc/08/00/16/571080016.db2.gz MLVGWGHTOUVWDB-UHFFFAOYSA-N 0 0 408.458 2.868 50 0 HFAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCc1ccccc1)nc2C ZINC000008583930 571082693 /nfs/dbraw/zinc/08/26/93/571082693.db2.gz ZBPIIEWFUFWLQX-UHFFFAOYSA-N 0 0 401.470 2.558 50 0 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CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008767646 571116059 /nfs/dbraw/zinc/11/60/59/571116059.db2.gz RNFIVEKKPCKTGR-UHFFFAOYSA-N 0 0 411.502 2.682 50 0 HFAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=COCCO2)cc1 ZINC000008824118 571121672 /nfs/dbraw/zinc/12/16/72/571121672.db2.gz GDFIFGCRXCYUMU-FQEVSTJZSA-N 0 0 422.437 2.804 50 0 HFAARN Cc1ccc(N2C[C@H](C(=O)NCc3nnnn3-c3ccc(C)c(C)c3)CC2=O)cc1C ZINC000008831352 571123136 /nfs/dbraw/zinc/12/31/36/571123136.db2.gz UDLHHFWTZYDTBY-GOSISDBHSA-N 0 0 418.501 2.565 50 0 HFAARN CS(=O)(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2nc1Cl ZINC000008856671 571128113 /nfs/dbraw/zinc/12/81/13/571128113.db2.gz KMQFJXDQUSONAW-KRWDZBQOSA-N 0 0 402.863 2.919 50 0 HFAARN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CCCNC(=O)c2ccsc2)c1 ZINC000039559372 571133197 /nfs/dbraw/zinc/13/31/97/571133197.db2.gz LFSWFSFWDXSTIV-UHFFFAOYSA-N 0 0 414.531 2.986 50 0 HFAARN Cc1sc2ncnc(OCC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)c2c1C ZINC000039562433 571133207 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