smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@@H](C)c1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000744027377 735329291 /nfs/dbraw/zinc/32/92/91/735329291.db2.gz RZJYZCLAYUNUQU-GXTWGEPZSA-N -1 0 357.435 2.879 20 30 FFEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)s1 ZINC000744027380 735329329 /nfs/dbraw/zinc/32/93/29/735329329.db2.gz RZJYZCLAYUNUQU-TZMCWYRMSA-N -1 0 357.435 2.879 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cnccc32)cc1Cl ZINC000745953769 735453938 /nfs/dbraw/zinc/45/39/38/735453938.db2.gz XVWWIXTWWFICGC-UHFFFAOYSA-N -1 0 371.805 2.879 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2=Cc3ccccc3OC2)n1 ZINC000007636455 727797064 /nfs/dbraw/zinc/79/70/64/727797064.db2.gz XGIWMPGSUXNUNZ-CQSZACIVSA-N -1 0 354.387 2.647 20 30 FFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccccc1C#N ZINC000030032211 727899625 /nfs/dbraw/zinc/89/96/25/727899625.db2.gz JGNDTTINGVWIIY-VOTSOKGWSA-N -1 0 350.403 2.528 20 30 FFEDRM CS(=O)(=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000041543872 727942332 /nfs/dbraw/zinc/94/23/32/727942332.db2.gz IFRAEHPGQRIPIA-AWEZNQCLSA-N -1 0 354.387 2.862 20 30 FFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCNC(=O)c2ccsc2)c1 ZINC000042271568 727957054 /nfs/dbraw/zinc/95/70/54/727957054.db2.gz QTHSAGHNPJQFDM-UHFFFAOYSA-N -1 0 366.464 2.830 20 30 FFEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000046930546 728024427 /nfs/dbraw/zinc/02/44/27/728024427.db2.gz OSBIOHYIIMJENB-LBPRGKRZSA-N -1 0 351.432 2.524 20 30 FFEDRM CN(C(=O)C1CC1)c1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406354 728046765 /nfs/dbraw/zinc/04/67/65/728046765.db2.gz ZIVPQEZTKWYMKN-UHFFFAOYSA-N -1 0 358.419 2.753 20 30 FFEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000048448633 728049061 /nfs/dbraw/zinc/04/90/61/728049061.db2.gz DAFVJZGCZIAGNW-UHFFFAOYSA-N -1 0 351.384 2.971 20 30 FFEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000048508635 728051947 /nfs/dbraw/zinc/05/19/47/728051947.db2.gz GRBSOVIFBBRPGA-UHFFFAOYSA-N -1 0 353.403 2.849 20 30 FFEDRM O=C([N-]S(=O)(=O)Cc1ccccc1)c1cncc(Br)c1 ZINC000048519357 728052569 /nfs/dbraw/zinc/05/25/69/728052569.db2.gz AQBCFDLIONEZAB-UHFFFAOYSA-N -1 0 355.213 2.679 20 30 FFEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000048530331 728052721 /nfs/dbraw/zinc/05/27/21/728052721.db2.gz IGDLWHWVHSJFIO-AUECHBEKSA-N -1 0 362.451 2.735 20 30 FFEDRM O=C(CCCNC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccccc1F ZINC000048588025 728055678 /nfs/dbraw/zinc/05/56/78/728055678.db2.gz HGANQWNXCPPNNE-UHFFFAOYSA-N -1 0 364.398 2.681 20 30 FFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cc(F)ccc1F ZINC000048643887 728055800 /nfs/dbraw/zinc/05/58/00/728055800.db2.gz WQQXHQJFXADOMX-UHFFFAOYSA-N -1 0 366.345 2.543 20 30 FFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000052368135 728077366 /nfs/dbraw/zinc/07/73/66/728077366.db2.gz YUTNBHVHCIRIRF-VURMDHGXSA-N -1 0 355.328 2.505 20 30 FFEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000058050049 728113426 /nfs/dbraw/zinc/11/34/26/728113426.db2.gz ACTJIYVNYZAFEK-UHFFFAOYSA-N -1 0 372.493 2.702 20 30 FFEDRM CC(C)OCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000064666694 728151774 /nfs/dbraw/zinc/15/17/74/728151774.db2.gz OCFHKUYAAYCPQX-UHFFFAOYSA-N -1 0 350.318 2.647 20 30 FFEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C(C)C)n1nnc(-c2ccccc2)n1 ZINC000066003140 728164815 /nfs/dbraw/zinc/16/48/15/728164815.db2.gz IQEJPHZSHDEEMT-CQSZACIVSA-N -1 0 365.459 2.624 20 30 FFEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc3nsnc32)s1 ZINC000066004219 728164823 /nfs/dbraw/zinc/16/48/23/728164823.db2.gz CZBPFJFFDGTNCC-UHFFFAOYSA-N -1 0 353.450 2.949 20 30 FFEDRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)ccc1F ZINC000066003431 728164842 /nfs/dbraw/zinc/16/48/42/728164842.db2.gz ZFMFRXLVOVMUTR-UHFFFAOYSA-N -1 0 368.361 2.758 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)NC(=O)C2CCCC2)cc1 ZINC000066229663 728167294 /nfs/dbraw/zinc/16/72/94/728167294.db2.gz NYWOSWXSDFIEHG-CYBMUJFWSA-N -1 0 352.456 2.725 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)NC(=O)C2CCCC2)cc1 ZINC000066229664 728167382 /nfs/dbraw/zinc/16/73/82/728167382.db2.gz NYWOSWXSDFIEHG-ZDUSSCGKSA-N -1 0 352.456 2.725 20 30 FFEDRM O=C([N-]S(=O)(=O)c1ccc(F)c2ncccc12)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000073266476 728219118 /nfs/dbraw/zinc/21/91/18/728219118.db2.gz PNPXNISIOHJPEX-XWIASGKRSA-N -1 0 350.371 2.587 20 30 FFEDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000073838918 728227177 /nfs/dbraw/zinc/22/71/77/728227177.db2.gz VXDRWQQTRWTIES-VIFPVBQESA-N -1 0 358.441 2.575 20 30 FFEDRM CCCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077879802 728287987 /nfs/dbraw/zinc/28/79/87/728287987.db2.gz IXIIGLGFLXHYDZ-ZFWWWQNUSA-N -1 0 352.456 2.825 20 30 FFEDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)n(C)n1 ZINC000080287809 728324835 /nfs/dbraw/zinc/32/48/35/728324835.db2.gz QXZQZVHMWHVCQO-UHFFFAOYSA-N -1 0 362.455 2.546 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)nn2C)c(C)c1C ZINC000080293818 728324891 /nfs/dbraw/zinc/32/48/91/728324891.db2.gz QAPLQYQRBTWJGE-UHFFFAOYSA-N -1 0 365.455 2.862 20 30 FFEDRM Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000080667325 728330525 /nfs/dbraw/zinc/33/05/25/728330525.db2.gz UMXXUPZADRJORP-UHFFFAOYSA-N -1 0 353.419 2.762 20 30 FFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)N1CCc2ccccc2C1 ZINC000089964496 728447631 /nfs/dbraw/zinc/44/76/31/728447631.db2.gz OMQTUASIFAPDOH-CYBMUJFWSA-N -1 0 362.426 2.918 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(Br)cc2)n1C ZINC000102121475 728489002 /nfs/dbraw/zinc/48/90/02/728489002.db2.gz ZRRNKMRZFUOWQS-GFCCVEGCSA-N -1 0 360.211 2.523 20 30 FFEDRM CCN(C[C@H](C)C#N)C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000106432648 728511084 /nfs/dbraw/zinc/51/10/84/728511084.db2.gz LSPWIVGESQDBCE-SNVBAGLBSA-N -1 0 363.361 2.570 20 30 FFEDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022912 728514487 /nfs/dbraw/zinc/51/44/87/728514487.db2.gz MHTVHZONELPRPZ-JTQLQIEISA-N -1 0 360.888 2.938 20 30 FFEDRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000113674351 728556779 /nfs/dbraw/zinc/55/67/79/728556779.db2.gz FNUAGJPLCVPSAD-NHYWBVRUSA-N -1 0 370.858 2.612 20 30 FFEDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000117085019 728575551 /nfs/dbraw/zinc/57/55/51/728575551.db2.gz XNVAIVOPIYUMDT-VOTSOKGWSA-N -1 0 360.357 2.984 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000125421229 728683440 /nfs/dbraw/zinc/68/34/40/728683440.db2.gz MKGLGMRJLHLQFD-AWEZNQCLSA-N -1 0 356.344 2.959 20 30 FFEDRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000129667302 728712575 /nfs/dbraw/zinc/71/25/75/728712575.db2.gz QBXDSIUWIIAYME-GJZGRUSLSA-N -1 0 360.460 2.678 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000133508556 728727093 /nfs/dbraw/zinc/72/70/93/728727093.db2.gz WMOVQZMNTQNXOJ-HNNXBMFYSA-N -1 0 374.238 2.925 20 30 FFEDRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000134756563 728732730 /nfs/dbraw/zinc/73/27/30/728732730.db2.gz PFHXELFFTWBDFM-UHFFFAOYSA-N -1 0 370.228 2.980 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173943818 729058611 /nfs/dbraw/zinc/05/86/11/729058611.db2.gz AZKZUUVOFMFDBE-GFCCVEGCSA-N -1 0 357.332 2.652 20 30 FFEDRM O=c1[nH]c2ccccc2n1CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000175900979 729104035 /nfs/dbraw/zinc/10/40/35/729104035.db2.gz PUGBUZUZENPGMX-GIJQJNRQSA-N -1 0 360.757 2.716 20 30 FFEDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000176078271 729108172 /nfs/dbraw/zinc/10/81/72/729108172.db2.gz KZZRGCBCOLPBKA-UHFFFAOYSA-N -1 0 360.357 2.962 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000178136564 729154590 /nfs/dbraw/zinc/15/45/90/729154590.db2.gz LEEDHVSGNFLMFK-UHFFFAOYSA-N -1 0 352.213 2.825 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)c1F ZINC000185659119 729353967 /nfs/dbraw/zinc/35/39/67/729353967.db2.gz KYUUYJCPLKUATH-UHFFFAOYSA-N -1 0 370.203 2.964 20 30 FFEDRM C#CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000191158165 729414792 /nfs/dbraw/zinc/41/47/92/729414792.db2.gz DVUBTAHQCGMWJO-UHFFFAOYSA-N -1 0 360.410 2.640 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000192731004 729457569 /nfs/dbraw/zinc/45/75/69/729457569.db2.gz IYFMTQAOWFRLEP-SNVBAGLBSA-N -1 0 360.420 2.783 20 30 FFEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1 ZINC000193433250 729478349 /nfs/dbraw/zinc/47/83/49/729478349.db2.gz DJDJEGVGMQZNLI-SNVBAGLBSA-N -1 0 352.847 2.623 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OC(F)(F)Cl)cc1 ZINC000193872033 729492742 /nfs/dbraw/zinc/49/27/42/729492742.db2.gz HXNMTPIRZJQEEG-NSHDSACASA-N -1 0 353.712 2.793 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Br)cs2)cc1 ZINC000194584788 729514423 /nfs/dbraw/zinc/51/44/23/729514423.db2.gz JKUDEGWUEAOVLK-UHFFFAOYSA-N -1 0 371.237 2.501 20 30 FFEDRM N#CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000427606701 729866613 /nfs/dbraw/zinc/86/66/13/729866613.db2.gz NBDBMGSCDDMWFH-UHFFFAOYSA-N -1 0 363.826 2.784 20 30 FFEDRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1C ZINC000432955015 729869763 /nfs/dbraw/zinc/86/97/63/729869763.db2.gz KPUMWSGAGAOSEP-UHFFFAOYSA-N -1 0 369.244 2.716 20 30 FFEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779317754 738454990 /nfs/dbraw/zinc/45/49/90/738454990.db2.gz KCEYIDSQRNSLPY-UHFFFAOYSA-N -1 0 364.467 2.548 20 30 FFEDRM Cc1cc(C)cc(C2(C(=O)[N-]S(=O)(=O)CC3(C#N)CCCC3)CC2)c1 ZINC000779319810 738455474 /nfs/dbraw/zinc/45/54/74/738455474.db2.gz NFXWKMUJWTWLDN-UHFFFAOYSA-N -1 0 360.479 2.865 20 30 FFEDRM C/C(=C\c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779321217 738455835 /nfs/dbraw/zinc/45/58/35/738455835.db2.gz LUXFFNZIWPZDGU-JLHYYAGUSA-N -1 0 350.415 2.759 20 30 FFEDRM C=CCCO[N-]C(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000856032140 730299996 /nfs/dbraw/zinc/29/99/96/730299996.db2.gz IEWQDAWDNRBSJB-UHFFFAOYSA-N -1 0 358.467 2.946 20 30 FFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1 ZINC000859438695 730454844 /nfs/dbraw/zinc/45/48/44/730454844.db2.gz RZIXQKMHPYYZMT-MEBBXXQBSA-N -1 0 357.332 2.660 20 30 FFEDRM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013493 730567324 /nfs/dbraw/zinc/56/73/24/730567324.db2.gz IWAHOJRGJIHVPW-TZMCWYRMSA-N -1 0 352.431 2.860 20 30 FFEDRM CCC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861016160 730567852 /nfs/dbraw/zinc/56/78/52/730567852.db2.gz SWFLMIMKPGUVDY-DZGCQCFKSA-N -1 0 352.431 2.860 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000779843780 738488634 /nfs/dbraw/zinc/48/86/34/738488634.db2.gz DCIOJFOHNSNMNR-SNVBAGLBSA-N -1 0 365.342 2.826 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)COc1ccc(/C=C\C)cc1OC)C(=O)[O-] ZINC000864185042 730829065 /nfs/dbraw/zinc/82/90/65/730829065.db2.gz SDDDEDHTHNJMIZ-ZFDPJTLLSA-N -1 0 353.802 2.819 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000864528469 730857432 /nfs/dbraw/zinc/85/74/32/730857432.db2.gz PWLRYDXUUAVFKM-SOUVJXGZSA-N -1 0 352.818 2.802 20 30 FFEDRM N#Cc1cccc([C@H](NC(=O)N2CCC(C(=O)[O-])CC2)C(F)(F)F)c1 ZINC000864608945 730864822 /nfs/dbraw/zinc/86/48/22/730864822.db2.gz VOXMBOZYRITIAF-ZDUSSCGKSA-N -1 0 355.316 2.668 20 30 FFEDRM N#Cc1ccc(CC(=O)CSc2n[n-]c(=NCC(F)(F)F)s2)cc1 ZINC000651188742 731063591 /nfs/dbraw/zinc/06/35/91/731063591.db2.gz HNTMAGMMXVVIBX-UHFFFAOYSA-N -1 0 372.397 2.710 20 30 FFEDRM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867899393 731240266 /nfs/dbraw/zinc/24/02/66/731240266.db2.gz ZIVMJOYPEUQLQI-FZMZJTMJSA-N -1 0 364.389 2.754 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3c2C(=O)CC3)n1 ZINC000869619403 731420295 /nfs/dbraw/zinc/42/02/95/731420295.db2.gz SHWACIMOLNKJAO-CYBMUJFWSA-N -1 0 354.387 2.614 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H]2Cc3ccccc3O2)n1 ZINC000869633335 731422587 /nfs/dbraw/zinc/42/25/87/731422587.db2.gz CXVFDEOBPBXSOV-ZIAGYGMSSA-N -1 0 356.403 2.565 20 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359.831 2.630 20 30 FFEDRM C=CCOc1ccc(CC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC001573379002 1077687903 /nfs/dbraw/zinc/68/79/03/1077687903.db2.gz YVNIEXHFKRVPBE-UHFFFAOYSA-N -1 0 355.390 2.817 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001573760302 1077786189 /nfs/dbraw/zinc/78/61/89/1077786189.db2.gz YMJIGKHZUNXJGN-KGXGESDWSA-N -1 0 354.362 2.988 20 30 FFEDRM N#Cc1c(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)n[nH]c1C1CC1 ZINC001574479210 1077999018 /nfs/dbraw/zinc/99/90/18/1077999018.db2.gz GJCMGVNHRORGSL-LBPRGKRZSA-N -1 0 355.398 2.665 20 30 FFEDRM N#Cc1cc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)ncc1Br ZINC001574486316 1078000603 /nfs/dbraw/zinc/00/06/03/1078000603.db2.gz UPARSRBOCXSNHP-CYBMUJFWSA-N -1 0 358.195 2.904 20 30 FFEDRM N#Cc1cccc(-c2csc(NC(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)n2)c1 ZINC001574489110 1078001365 /nfs/dbraw/zinc/00/13/65/1078001365.db2.gz GZPRIDOBOQEWPH-ZIAGYGMSSA-N -1 0 371.418 2.890 20 30 FFEDRM N#Cc1ccc(F)c(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 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C#CCN(CC(=O)[O-])C(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC001588413044 1080017565 /nfs/dbraw/zinc/01/75/65/1080017565.db2.gz QBTMOFICVUDOAU-UHFFFAOYSA-N -1 0 360.410 2.513 20 30 FFEDRM C#CC[C@H](NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C)C(=O)[O-] ZINC001588421538 1080022023 /nfs/dbraw/zinc/02/20/23/1080022023.db2.gz LIWIGZNVOKPQBZ-AWEZNQCLSA-N -1 0 356.447 2.984 20 30 FFEDRM C#CCC1(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC001588428116 1080023385 /nfs/dbraw/zinc/02/33/85/1080023385.db2.gz BTCJIBCZDAIQJB-ZWKOTPCHSA-N -1 0 355.434 2.993 20 30 FFEDRM C=C(Cl)COc1cc(-c2nn[nH]n2)ccc1I ZINC001588447559 1080029718 /nfs/dbraw/zinc/02/97/18/1080029718.db2.gz HLLUYKTWVWCWQR-UHFFFAOYSA-N -1 0 362.558 2.603 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001588458845 1080034506 /nfs/dbraw/zinc/03/45/06/1080034506.db2.gz VCGCGZUULNZANS-KFWWJZLASA-N -1 0 368.474 2.805 20 30 FFEDRM C#CCO[C@H](C)C(=O)N(c1ccc(Br)cc1C)[C@@H](C)C(=O)[O-] ZINC001588490690 1080052857 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000541784096 517215138 /nfs/dbraw/zinc/21/51/38/517215138.db2.gz BDYYXBNPRSKXOH-UHFFFAOYSA-N -1 0 363.399 2.662 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000515183957 517242837 /nfs/dbraw/zinc/24/28/37/517242837.db2.gz WOCFUTMQNCGQAH-UHFFFAOYSA-N -1 0 359.798 2.593 20 30 FFEDRM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1ccncn1 ZINC000545446696 517243226 /nfs/dbraw/zinc/24/32/26/517243226.db2.gz TWZIHRWZGWKPPZ-CYBMUJFWSA-N -1 0 368.194 2.915 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000533270016 517377924 /nfs/dbraw/zinc/37/79/24/517377924.db2.gz YXZSOCJISNMPOR-UHFFFAOYSA-N -1 0 350.709 2.754 20 30 FFEDRM CCC[C@H](CCCCNS(=O)(=O)c1ccc(C#N)c(C)c1)C(=O)[O-] ZINC000559797434 517430926 /nfs/dbraw/zinc/43/09/26/517430926.db2.gz CMDWDSGFGGDJAO-CQSZACIVSA-N -1 0 352.456 2.816 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1C ZINC000520872253 517539008 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370.409 2.599 20 30 FFEDRM Cc1cc(C(=O)CN(CC#N)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859338 601594030 /nfs/dbraw/zinc/59/40/30/601594030.db2.gz PAQDYSQVJYBKKT-UHFFFAOYSA-N -1 0 351.406 2.963 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000833070993 601606134 /nfs/dbraw/zinc/60/61/34/601606134.db2.gz CCDQHXDEUZFLQT-QGZVFWFLSA-N -1 0 354.318 2.768 20 30 FFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000818788066 601669318 /nfs/dbraw/zinc/66/93/18/601669318.db2.gz QEIOHILAJSZBKC-GOSISDBHSA-N -1 0 366.373 2.585 20 30 FFEDRM CC(C)(CNC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000826602104 601708216 /nfs/dbraw/zinc/70/82/16/601708216.db2.gz PVJQWMXNSNTNFN-UHFFFAOYSA-N -1 0 352.390 2.978 20 30 FFEDRM N#CCOc1ccc(CC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000833067968 601746100 /nfs/dbraw/zinc/74/61/00/601746100.db2.gz LPPDSUZHUVLPKT-UHFFFAOYSA-N -1 0 359.407 2.634 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000825681854 601784610 /nfs/dbraw/zinc/78/46/10/601784610.db2.gz IWJIFWBZCPHYIY-YOEHRIQHSA-N -1 0 371.437 2.685 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825681574 601853142 /nfs/dbraw/zinc/85/31/42/601853142.db2.gz CLGUCBSLUOHXOL-UHFFFAOYSA-N -1 0 370.380 2.720 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263490969 601991180 /nfs/dbraw/zinc/99/11/80/601991180.db2.gz OTIZJCJBUPNXAM-FQEVSTJZSA-N -1 0 371.437 2.829 20 30 FFEDRM N#CCN1CCC(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000833066850 602005930 /nfs/dbraw/zinc/00/59/30/602005930.db2.gz JGJSIVMYIWYSQD-UHFFFAOYSA-N -1 0 370.331 2.513 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738383220 602073907 /nfs/dbraw/zinc/07/39/07/602073907.db2.gz SVJUONIPQKUTEU-UHFFFAOYSA-N -1 0 354.410 2.612 20 30 FFEDRM O=c1c(-c2nnn[n-]2)cn(CC#Cc2ccccc2Cl)c2ccccc12 ZINC000826501457 607546749 /nfs/dbraw/zinc/54/67/49/607546749.db2.gz QWYDABXDWPYVCN-UHFFFAOYSA-N -1 0 361.792 2.887 20 30 FFEDRM C=C(C)CNC(=S)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825642251 602152167 /nfs/dbraw/zinc/15/21/67/602152167.db2.gz LHKUDQIJNKSICK-HNNXBMFYSA-N -1 0 367.902 2.534 20 30 FFEDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000739013662 602265047 /nfs/dbraw/zinc/26/50/47/602265047.db2.gz YTNPBZRMATXTRI-XHDPSFHLSA-N -1 0 364.833 2.661 20 30 FFEDRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000739228229 602357920 /nfs/dbraw/zinc/35/79/20/602357920.db2.gz SMXVKRBOUIEWMD-GUYCJALGSA-N -1 0 359.426 2.610 20 30 FFEDRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000739292417 602357989 /nfs/dbraw/zinc/35/79/89/602357989.db2.gz ULUKOASDJFVMAO-IBGZPJMESA-N -1 0 359.426 2.754 20 30 FFEDRM CN(CC1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000739646857 602367814 /nfs/dbraw/zinc/36/78/14/602367814.db2.gz YLIYNWSCZDQRBN-UHFFFAOYSA-N -1 0 361.467 2.640 20 30 FFEDRM COc1cc(C#N)ccc1OCCCC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000831861481 602399850 /nfs/dbraw/zinc/39/98/50/602399850.db2.gz YKSYDPQDMHXNGY-UHFFFAOYSA-N -1 0 360.410 2.582 20 30 FFEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740310386 602479834 /nfs/dbraw/zinc/47/98/34/602479834.db2.gz FHYIPXMCZLHADQ-CYBMUJFWSA-N -1 0 369.352 2.972 20 30 FFEDRM N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740323601 602480582 /nfs/dbraw/zinc/48/05/82/602480582.db2.gz NXGZJPXCAOZMMT-QGZVFWFLSA-N -1 0 365.389 2.619 20 30 FFEDRM N#CCOc1ccc(CC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000740305691 602494474 /nfs/dbraw/zinc/49/44/74/602494474.db2.gz SYYIUNUXGQDBAU-GOSISDBHSA-N -1 0 371.437 2.512 20 30 FFEDRM COc1cccc([C@@H](C#N)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1OC ZINC000739943700 602520185 /nfs/dbraw/zinc/52/01/85/602520185.db2.gz AXGCQAVYGGPHOI-OAHLLOKOSA-N -1 0 369.377 2.717 20 30 FFEDRM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737567172 602531040 /nfs/dbraw/zinc/53/10/40/602531040.db2.gz VYIIEBCXQXEWLC-LLVKDONJSA-N -1 0 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364.389 2.754 20 30 FFEDRM C=CCC[C@H](NC(=O)NCCOc1ccc(Br)cc1)C(=O)[O-] ZINC000654808855 731398027 /nfs/dbraw/zinc/39/80/27/731398027.db2.gz SZRCQHWTHFIJDP-ZDUSSCGKSA-N -1 0 371.231 2.547 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(C(C)(C)C)c1 ZINC000870132707 731472849 /nfs/dbraw/zinc/47/28/49/731472849.db2.gz LDOVYNMRARNRSB-ZDUSSCGKSA-N -1 0 365.861 2.898 20 30 FFEDRM N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000870269643 731489136 /nfs/dbraw/zinc/48/91/36/731489136.db2.gz KCWNECHJUVCODH-ARJAWSKDSA-N -1 0 352.359 2.530 20 30 FFEDRM N#Cc1ccccc1N1CCC(NC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000870486988 731519879 /nfs/dbraw/zinc/51/98/79/731519879.db2.gz JXERKOSZSNKWCW-UHFFFAOYSA-N -1 0 362.842 2.773 20 30 FFEDRM C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000870510183 731522124 /nfs/dbraw/zinc/52/21/24/731522124.db2.gz XHQWDCNCMDCOKL-QMMMGPOBSA-N -1 0 370.299 2.695 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000870838989 731564459 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CC(C)[C@H](NC(=O)CSCc1ccc(C#N)cc1OC(F)F)C(=O)[O-] ZINC001591883966 976246209 /nfs/dbraw/zinc/24/62/09/976246209.db2.gz WKZQBBAKBSVOPV-AWEZNQCLSA-N -1 0 372.393 2.618 20 30 FFEDRM CC(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(C(=O)[O-])c1 ZINC001591960312 976542700 /nfs/dbraw/zinc/54/27/00/976542700.db2.gz UWEXUDIDWJTFQW-XJKSGUPXSA-N -1 0 357.410 2.597 20 30 FFEDRM CC(C)n1ncc2ccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc21 ZINC001592163843 977060649 /nfs/dbraw/zinc/06/06/49/977060649.db2.gz XOXZRJKCIMVCPV-UHFFFAOYSA-N -1 0 355.398 2.839 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000653537064 1014368727 /nfs/dbraw/zinc/36/87/27/1014368727.db2.gz NVCNXFNRNBCILU-KRWDZBQOSA-N -1 0 373.453 2.979 20 30 FFEDRM C[C@@](CC(=O)[O-])(NS(=O)(=O)c1c(C#N)sc2ccccc21)C1CC1 ZINC001592334093 977777271 /nfs/dbraw/zinc/77/72/71/977777271.db2.gz MDKDYRVWODRDNG-INIZCTEOSA-N -1 0 364.448 2.695 20 30 FFEDRM C[C@@H](CCC#N)c1nnc(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n1CC1CC1 ZINC001592470902 978226722 /nfs/dbraw/zinc/22/67/22/978226722.db2.gz MXQWBHFARLZCBH-RFUYNDQBSA-N -1 0 357.458 2.786 20 30 FFEDRM C[C@@H](CCC#N)c1nnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1CC1CC1 ZINC001592471616 978233305 /nfs/dbraw/zinc/23/33/05/978233305.db2.gz UGXLUJRCUAWEHG-VBNZEHGJSA-N -1 0 357.458 2.642 20 30 FFEDRM N#Cc1c[nH]c2ncc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)cc12 ZINC001167939795 978241508 /nfs/dbraw/zinc/24/15/08/978241508.db2.gz QISOMYDTAUARIM-UHFFFAOYSA-N -1 0 354.306 2.519 20 30 FFEDRM O=C(CCc1ccccc1)N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000089099095 979250858 /nfs/dbraw/zinc/25/08/58/979250858.db2.gz CIDQCUSMQLFQEY-VYVDHXHBSA-N -1 0 367.405 2.953 20 30 FFEDRM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC001271909115 979259616 /nfs/dbraw/zinc/25/96/16/979259616.db2.gz IADJYTDUIPYGFJ-AWEZNQCLSA-N -1 0 362.857 2.980 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592834654 979578369 /nfs/dbraw/zinc/57/83/69/979578369.db2.gz 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C=CCOc1cccnc1C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000262995490 980287254 /nfs/dbraw/zinc/28/72/54/980287254.db2.gz MGOGIKHNNGZBQK-FQEVSTJZSA-N -1 0 354.406 2.809 20 30 FFEDRM CCc1ccc([C@H](C#N)N(C)C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)cc1 ZINC000905588521 980472042 /nfs/dbraw/zinc/47/20/42/980472042.db2.gz VQYPABUVCUSREJ-SFHVURJKSA-N -1 0 354.454 2.661 20 30 FFEDRM Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)c2ccc(CCC#N)cc2)c1 ZINC000905987937 980551492 /nfs/dbraw/zinc/55/14/92/980551492.db2.gz FDESSVJFYTWAHI-UHFFFAOYSA-N -1 0 372.446 2.727 20 30 FFEDRM N#CCC1(CS(=O)(=O)N2CC[C@H](C3(C(=O)[O-])CC3)c3ccccc32)CC1 ZINC000905999032 980553928 /nfs/dbraw/zinc/55/39/28/980553928.db2.gz HBAULPQHUMAWPN-HNNXBMFYSA-N -1 0 374.462 2.869 20 30 FFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1 ZINC001595362840 980775065 /nfs/dbraw/zinc/77/50/65/980775065.db2.gz QJQAMYOFRRXYHZ-KRWDZBQOSA-N -1 0 358.419 2.785 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cnc3ccccc3c2)cc1 ZINC000796615517 1014717068 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984631619 /nfs/dbraw/zinc/63/16/19/984631619.db2.gz YQXZNSVKVSDWJU-UHFFFAOYSA-N -1 0 373.434 2.662 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1C#N ZINC001596666897 984732598 /nfs/dbraw/zinc/73/25/98/984732598.db2.gz QBFLFAKCFNKBMA-SFHVURJKSA-N -1 0 374.397 2.892 20 30 FFEDRM COCCn1nc(C)c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1C ZINC000765613695 985234782 /nfs/dbraw/zinc/23/47/82/985234782.db2.gz WRFLBNDJRQGARH-RMKNXTFCSA-N -1 0 358.394 2.506 20 30 FFEDRM C[C@H]1CN(c2nnc(C(C)(C)C#N)n2Cc2cccs2)C[C@]1(C)C(=O)[O-] ZINC001599936411 985401673 /nfs/dbraw/zinc/40/16/73/985401673.db2.gz ZXARQVDPLLMWQU-SGTLLEGYSA-N -1 0 373.482 2.736 20 30 FFEDRM CCn1c(=O)c2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2[n-]c1=S ZINC000765775688 985797690 /nfs/dbraw/zinc/79/76/90/985797690.db2.gz QOILMPWOQSTDDN-OAHLLOKOSA-N -1 0 370.478 2.859 20 30 FFEDRM CCCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000173888101 986011205 /nfs/dbraw/zinc/01/12/05/986011205.db2.gz KLDMBQPVYBLBES-UHFFFAOYSA-N -1 0 372.446 2.785 20 30 FFEDRM Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599975017 986075533 /nfs/dbraw/zinc/07/55/33/986075533.db2.gz PBPXVKFMRYEWRV-UHFFFAOYSA-N -1 0 365.389 2.806 20 30 FFEDRM CCOc1c(Cl)cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1OC ZINC001596986973 986258867 /nfs/dbraw/zinc/25/88/67/986258867.db2.gz GSUOGRBIRKJSBD-UHFFFAOYSA-N -1 0 366.801 2.578 20 30 FFEDRM CCOc1nc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2[nH]1 ZINC001597196161 987085101 /nfs/dbraw/zinc/08/51/01/987085101.db2.gz CUQCASRWCKGPQU-INIZCTEOSA-N -1 0 365.345 2.816 20 30 FFEDRM CCC(=O)c1cccc(C#N)c1OS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001594721952 987207307 /nfs/dbraw/zinc/20/73/07/987207307.db2.gz CIGPUEWUOSAWCM-UHFFFAOYSA-N -1 0 373.386 2.546 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001594725216 987228092 /nfs/dbraw/zinc/22/80/92/987228092.db2.gz ONRAFDFOBWKBAX-YRNRMSPPSA-N -1 0 371.437 2.764 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000132075091 987566028 /nfs/dbraw/zinc/56/60/28/987566028.db2.gz BJLYWVPPYZUMAF-INIZCTEOSA-N -1 0 369.446 2.778 20 30 FFEDRM CCc1ccc(C#CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC001597495038 988040760 /nfs/dbraw/zinc/04/07/60/988040760.db2.gz PBLLZKIAQVPPRG-GOSISDBHSA-N -1 0 353.393 2.799 20 30 FFEDRM C=CCN(CC(=O)[O-])C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000762047569 988075474 /nfs/dbraw/zinc/07/54/74/988075474.db2.gz BFKSVBJQGRHWRT-HNNXBMFYSA-N -1 0 362.426 2.742 20 30 FFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)cc1 ZINC000762756234 988613680 /nfs/dbraw/zinc/61/36/80/988613680.db2.gz YIFPBBFENLUQAV-UHFFFAOYSA-N -1 0 374.462 2.745 20 30 FFEDRM CCc1nc(C#N)cc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n1 ZINC001597644767 988658406 /nfs/dbraw/zinc/65/84/06/988658406.db2.gz HWBBOCPXNIEHMI-UHFFFAOYSA-N -1 0 351.410 2.690 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000193610411 988714343 /nfs/dbraw/zinc/71/43/43/988714343.db2.gz ZLFKRIFRTUSAPZ-QGZVFWFLSA-N -1 0 373.840 2.833 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ZINC001328068448 1048165717 /nfs/dbraw/zinc/16/57/17/1048165717.db2.gz XLGDZKOAOVJQIK-CQSZACIVSA-N -1 0 356.403 2.558 20 30 FFEDRM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC)c(OCC)c1)C(=O)[O-] ZINC001332489306 1048418115 /nfs/dbraw/zinc/41/81/15/1048418115.db2.gz NDNWHMFBCSOOHM-GXTWGEPZSA-N -1 0 350.415 2.874 20 30 FFEDRM C=CC[C@H](NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)C(=O)[O-] ZINC001329215218 1048621310 /nfs/dbraw/zinc/62/13/10/1048621310.db2.gz NMRZWHISBRQDND-DVOMOZLQSA-N -1 0 352.228 2.872 20 30 FFEDRM Cn1cc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(Br)n1 ZINC001333663327 1049038487 /nfs/dbraw/zinc/03/84/87/1049038487.db2.gz WFNOGSFGXLWYFH-GFCCVEGCSA-N -1 0 372.222 2.806 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(Br)c(C)cc1C ZINC001341928803 1050524933 /nfs/dbraw/zinc/52/49/33/1050524933.db2.gz DOPUUKCKPKNKQL-CYBMUJFWSA-N -1 0 367.243 2.541 20 30 FFEDRM CP(C)(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC001342156901 1050750072 /nfs/dbraw/zinc/75/00/72/1050750072.db2.gz 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C=CCCCN(CC)c1nnc(-c2c[n-]n(CC)c2=O)n1C[C@@H]1CCOC1 ZINC001345220393 1052325039 /nfs/dbraw/zinc/32/50/39/1052325039.db2.gz RHKXKADOXUGJGD-HNNXBMFYSA-N -1 0 374.489 2.696 20 30 FFEDRM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001343697000 1052378324 /nfs/dbraw/zinc/37/83/24/1052378324.db2.gz FMUWFXUAVDRPPL-UHFFFAOYSA-N -1 0 360.437 2.679 20 30 FFEDRM CC[C@@H](C)N(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C[C@H]1CCOC1 ZINC001345585439 1052523720 /nfs/dbraw/zinc/52/37/20/1052523720.db2.gz XBFIOBJGSUMOSF-ZIAGYGMSSA-N -1 0 370.457 2.579 20 30 FFEDRM Cc1c(C#N)cccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC001345729541 1052590861 /nfs/dbraw/zinc/59/08/61/1052590861.db2.gz IASRVYLZWNJWQM-OAHLLOKOSA-N -1 0 353.328 2.784 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[C@H](F)C3)cc2[n-]c1=S ZINC001346082216 1052739022 /nfs/dbraw/zinc/73/90/22/1052739022.db2.gz MEQFJMNKNUWUIH-STQMWFEESA-N -1 0 361.442 2.882 20 30 FFEDRM CCCN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C[C@H]1CCCCO1 ZINC001344607591 1052857085 /nfs/dbraw/zinc/85/70/85/1052857085.db2.gz MVQCZYYPBKYBQI-MRXNPFEDSA-N -1 0 370.457 2.723 20 30 FFEDRM C[C@H]1CCC(F)(F)CN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001346919528 1053442264 /nfs/dbraw/zinc/44/22/64/1053442264.db2.gz AIQISKNTILTDPN-NSHDSACASA-N -1 0 374.395 2.951 20 30 FFEDRM Cc1cccc(CN(CCC(=O)[O-])S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001335816373 1053583033 /nfs/dbraw/zinc/58/30/33/1053583033.db2.gz CAMNPWWPZIFGDH-UHFFFAOYSA-N -1 0 372.446 2.727 20 30 FFEDRM CCn1nc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)cc1C1CC1 ZINC001348314838 1054625977 /nfs/dbraw/zinc/62/59/77/1054625977.db2.gz CQOXTLNBNHHCNS-MRXNPFEDSA-N -1 0 350.422 2.761 20 30 FFEDRM CCn1c(C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc2ccccc21 ZINC001337644854 1054916839 /nfs/dbraw/zinc/91/68/39/1054916839.db2.gz RTZXFUITGHPNMD-UHFFFAOYSA-N -1 0 353.403 2.652 20 30 FFEDRM CC(C)(Oc1ccccc1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC001337862128 1055067799 /nfs/dbraw/zinc/06/77/99/1055067799.db2.gz UVKOVINYHUCRAS-UHFFFAOYSA-N -1 0 364.467 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ZINC001588477294 1080044454 /nfs/dbraw/zinc/04/44/54/1080044454.db2.gz XRMJKFPRUATOIU-HNNXBMFYSA-N -1 0 351.406 2.757 20 30 FFEDRM C#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cn1 ZINC001588511441 1080065117 /nfs/dbraw/zinc/06/51/17/1080065117.db2.gz VAGOIVZPEWLJNR-UHFFFAOYSA-N -1 0 362.307 2.809 20 30 FFEDRM C=C(Br)CNC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001588528600 1080079871 /nfs/dbraw/zinc/07/98/71/1080079871.db2.gz AFPRHZXSJQREQB-UHFFFAOYSA-N -1 0 357.179 2.500 20 30 FFEDRM C#Cc1ccccc1CC(=O)O[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC001588529464 1080080051 /nfs/dbraw/zinc/08/00/51/1080080051.db2.gz ZODUPBKMOZGVKQ-LJQANCHMSA-N -1 0 354.358 2.597 20 30 FFEDRM C=C(C)[C@@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(F)c(F)c1 ZINC001588533844 1080083899 /nfs/dbraw/zinc/08/38/99/1080083899.db2.gz ASYSOMRNZAXCNW-NVXWUHKLSA-N -1 0 352.381 2.637 20 30 FFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588535139 1080085170 /nfs/dbraw/zinc/08/51/70/1080085170.db2.gz FPHROLIPRPTBNM-LLVKDONJSA-N -1 0 371.231 2.904 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC001588541418 1080087798 /nfs/dbraw/zinc/08/77/98/1080087798.db2.gz BFTNSHXDCADYKK-OAHLLOKOSA-N -1 0 366.299 2.834 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588548768 1080090398 /nfs/dbraw/zinc/09/03/98/1080090398.db2.gz TVIAEQWUHIALEI-SNVBAGLBSA-N -1 0 369.208 2.723 20 30 FFEDRM C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588573275 1080103860 /nfs/dbraw/zinc/10/38/60/1080103860.db2.gz HQZLAUDCWGYPMS-KRWDZBQOSA-N -1 0 370.453 2.839 20 30 FFEDRM C=C(C)Cn1c(-c2c[nH]c(C)n2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588577582 1080105172 /nfs/dbraw/zinc/10/51/72/1080105172.db2.gz ZEZVKEPFFCMPOB-CQSZACIVSA-N -1 0 372.473 2.880 20 30 FFEDRM C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588578735 1080106024 /nfs/dbraw/zinc/10/60/24/1080106024.db2.gz OXMBYHSQOKHMCS-ORAYPTAESA-N -1 0 374.416 2.578 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001588578322 1080106216 /nfs/dbraw/zinc/10/62/16/1080106216.db2.gz CUDGSHHEUMLOHX-MRXNPFEDSA-N -1 0 356.426 2.510 20 30 FFEDRM C=C(C)Cn1c(-c2n[nH]cc2C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588588854 1080112370 /nfs/dbraw/zinc/11/23/70/1080112370.db2.gz BGKQIVKOBNIGSI-CQSZACIVSA-N -1 0 372.473 2.880 20 30 FFEDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1 ZINC001588589069 1080112512 /nfs/dbraw/zinc/11/25/12/1080112512.db2.gz DDMBBYDOTOMUGA-LBPRGKRZSA-N -1 0 351.362 2.823 20 30 FFEDRM C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588588955 1080112795 /nfs/dbraw/zinc/11/27/95/1080112795.db2.gz DOGHIDFQEVLBMH-ILXRZTDVSA-N -1 0 350.463 2.889 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCC(F)(F)C2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588590687 1080113570 /nfs/dbraw/zinc/11/35/70/1080113570.db2.gz AYVLFYJJBZRSBG-FRRDWIJNSA-N -1 0 354.401 2.914 20 30 FFEDRM C=CCCCC(=O)NCC[C@@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588590361 1080113663 /nfs/dbraw/zinc/11/36/63/1080113663.db2.gz JMBWBOXINFPKPF-SECBINFHSA-N -1 0 369.882 2.640 20 30 FFEDRM C=C(C)Cn1c([C@H](O)CC)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588598935 1080119670 /nfs/dbraw/zinc/11/96/70/1080119670.db2.gz AAWJALVFZSQKOI-MRXNPFEDSA-N -1 0 356.426 2.559 20 30 FFEDRM C=C(C)c1cccc(NC(=O)C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001588605245 1080121955 /nfs/dbraw/zinc/12/19/55/1080121955.db2.gz FBVBGJPADILMIA-MRXNPFEDSA-N -1 0 370.327 2.524 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001588614724 1080122906 /nfs/dbraw/zinc/12/29/06/1080122906.db2.gz ADDIKQWQPFQGNG-UHFFFAOYSA-N -1 0 366.417 2.545 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001588618904 1080124096 /nfs/dbraw/zinc/12/40/96/1080124096.db2.gz DYRNKGLDXYCNKC-CQSZACIVSA-N -1 0 355.337 2.609 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001588622362 1080124846 /nfs/dbraw/zinc/12/48/46/1080124846.db2.gz WGSAGIXDWSJZAZ-UHFFFAOYSA-N -1 0 366.458 2.703 20 30 FFEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC001588624018 1080125865 /nfs/dbraw/zinc/12/58/65/1080125865.db2.gz VIHHDPXEIXAABU-HNNXBMFYSA-N -1 0 367.409 2.774 20 30 FFEDRM C=C(CNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001588636444 1080130695 /nfs/dbraw/zinc/13/06/95/1080130695.db2.gz GZINFZSZIDINKQ-UHFFFAOYSA-N -1 0 363.373 2.634 20 30 FFEDRM C=CCn1c(-c2coc(-c3nn[nH]n3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588704695 1080162471 /nfs/dbraw/zinc/16/24/71/1080162471.db2.gz OIZLFMRNBDSPCQ-GFCCVEGCSA-N -1 0 354.418 2.531 20 30 FFEDRM C=C[C@H](OC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC001588713572 1080166211 /nfs/dbraw/zinc/16/62/11/1080166211.db2.gz YQEKKYBEVKWOKI-BQFCYCMXSA-N -1 0 370.405 2.749 20 30 FFEDRM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588737631 1080177457 /nfs/dbraw/zinc/17/74/57/1080177457.db2.gz PEQMKLMRUXYYPK-ZDUSSCGKSA-N -1 0 371.393 2.878 20 30 FFEDRM C=CC[C@H](NC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccncc1 ZINC001588742694 1080178573 /nfs/dbraw/zinc/17/85/73/1080178573.db2.gz IUSPZDIEQKOYHX-WFASDCNBSA-N -1 0 357.332 2.747 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001588743953 1080178746 /nfs/dbraw/zinc/17/87/46/1080178746.db2.gz FYJZXMKBVOPYDK-BRWVUGGUSA-N -1 0 351.468 2.737 20 30 FFEDRM C=CC[C@@H](OC(=O)C(F)(F)c1ncccc1Br)C(=O)[O-] ZINC001588752297 1080180940 /nfs/dbraw/zinc/18/09/40/1080180940.db2.gz VKDFUEGENSTFCQ-MRVPVSSYSA-N -1 0 350.115 2.508 20 30 FFEDRM C=CCC1(NC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CCCCC1 ZINC001588767107 1080185285 /nfs/dbraw/zinc/18/52/85/1080185285.db2.gz JQHVUCTWRZQXSP-UHFFFAOYSA-N -1 0 373.453 2.830 20 30 FFEDRM C=CC[C@H]1NC(=O)N(Cc2cccc(-c3nc(C(=O)[O-])cs3)c2)C1=O ZINC001588774232 1080189513 /nfs/dbraw/zinc/18/95/13/1080189513.db2.gz VSRCFVAFKHUJHY-GFCCVEGCSA-N -1 0 357.391 2.505 20 30 FFEDRM CC(=NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC001588781002 1080193901 /nfs/dbraw/zinc/19/39/01/1080193901.db2.gz WKWLTUVPWIYFOY-LBPRGKRZSA-N -1 0 366.381 2.555 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)C(=O)[O-] ZINC001588790038 1080197531 /nfs/dbraw/zinc/19/75/31/1080197531.db2.gz PALLSFGVCJBCKS-UONOGXRCSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1)C(=O)[O-] ZINC001588790579 1080197988 /nfs/dbraw/zinc/19/79/88/1080197988.db2.gz ZHTQDQYEAFHEPQ-JKSUJKDBSA-N -1 0 358.438 2.582 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588793840 1080199000 /nfs/dbraw/zinc/19/90/00/1080199000.db2.gz CYNHTOGSRZPVSX-UONOGXRCSA-N -1 0 356.463 2.852 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nn(CC(C)C)c(=O)c2ccccc21)C(=O)[O-] ZINC001588797251 1080200901 /nfs/dbraw/zinc/20/09/01/1080200901.db2.gz ABTSTKAQOHWUKM-MRXNPFEDSA-N -1 0 371.437 2.592 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC001588798623 1080201347 /nfs/dbraw/zinc/20/13/47/1080201347.db2.gz LYKLFGWSKPPCPM-OAHLLOKOSA-N -1 0 355.456 2.870 20 30 FFEDRM C=CCCn1cc([C@H]2NC(=O)N(CC3CCCCC3)C(C)=C2C(=O)[O-])nn1 ZINC001588817615 1080206050 /nfs/dbraw/zinc/20/60/50/1080206050.db2.gz PVEPQXGRXRLZNF-QGZVFWFLSA-N -1 0 373.457 2.859 20 30 FFEDRM C=CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC001588820048 1080207441 /nfs/dbraw/zinc/20/74/41/1080207441.db2.gz OFGSYRKTFAEQJM-UHFFFAOYSA-N -1 0 357.193 2.807 20 30 FFEDRM C=CCN(CCOC)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588828721 1080209354 /nfs/dbraw/zinc/20/93/54/1080209354.db2.gz KYAXWIIMMFKNKU-ZDUSSCGKSA-N -1 0 360.332 2.832 20 30 FFEDRM C=CCN(CC=C)C(=O)CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588825381 1080209903 /nfs/dbraw/zinc/20/99/03/1080209903.db2.gz NGHINMXNHQEHFE-UHFFFAOYSA-N -1 0 357.454 2.988 20 30 FFEDRM CC(C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001588830190 1080211067 /nfs/dbraw/zinc/21/10/67/1080211067.db2.gz PUSFJLBTPWPNQO-OAHLLOKOSA-N -1 0 354.410 2.550 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001588844140 1080215176 /nfs/dbraw/zinc/21/51/76/1080215176.db2.gz RFPABAOGAUQZPJ-UHFFFAOYSA-N -1 0 367.405 2.965 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001588859505 1080220046 /nfs/dbraw/zinc/22/00/46/1080220046.db2.gz NVAGHOXNCYGOAQ-HNNXBMFYSA-N -1 0 361.419 2.713 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)C(=O)[O-] ZINC001588859137 1080220107 /nfs/dbraw/zinc/22/01/07/1080220107.db2.gz AKLMLVNPDXPTMB-GOSISDBHSA-N -1 0 369.417 2.563 20 30 FFEDRM C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588869615 1080222297 /nfs/dbraw/zinc/22/22/97/1080222297.db2.gz PPXWIPQKUKHZOZ-QGZVFWFLSA-N -1 0 373.380 2.997 20 30 FFEDRM C=CCn1c(-c2ccc(=O)[nH]c2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588888697 1080236783 /nfs/dbraw/zinc/23/67/83/1080236783.db2.gz AILBVQTWPKHXMI-CQSZACIVSA-N -1 0 371.441 2.559 20 30 FFEDRM C=CCn1c(-c2scnc2CC)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588891872 1080238756 /nfs/dbraw/zinc/23/87/56/1080238756.db2.gz VUAAOJCHSLTOOE-VXGBXAGGSA-N -1 0 361.471 2.697 20 30 FFEDRM C=CCn1c([C@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588895597 1080245615 /nfs/dbraw/zinc/24/56/15/1080245615.db2.gz JGGFKLBQQDZTFV-DOTOQJQBSA-N -1 0 369.469 2.568 20 30 FFEDRM C=CCn1c(CC(F)(F)F)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588898252 1080247327 /nfs/dbraw/zinc/24/73/27/1080247327.db2.gz UNTHQLNVKCRKKX-UHFFFAOYSA-N -1 0 366.343 2.830 20 30 FFEDRM C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588901651 1080250068 /nfs/dbraw/zinc/25/00/68/1080250068.db2.gz YLTYUGFCHMCXCH-HXUWFJFHSA-N -1 0 370.453 2.961 20 30 FFEDRM C=CCn1c(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])nnc1-c1ccncc1 ZINC001588904845 1080255116 /nfs/dbraw/zinc/25/51/16/1080255116.db2.gz FTDLQUWJCUDFDZ-NSHDSACASA-N -1 0 360.439 2.687 20 30 FFEDRM C=CCn1c(=O)c2ccccc2nc1SCc1ncccc1C(=O)[O-] ZINC001588907802 1080256720 /nfs/dbraw/zinc/25/67/20/1080256720.db2.gz YMKRJHGNOIOTTI-UHFFFAOYSA-N -1 0 353.403 2.968 20 30 FFEDRM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588925888 1080269538 /nfs/dbraw/zinc/26/95/38/1080269538.db2.gz ZIOMVDUXXUAFJR-MRXNPFEDSA-N -1 0 374.437 2.949 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc(Cl)s1 ZINC001589024398 1080310283 /nfs/dbraw/zinc/31/02/83/1080310283.db2.gz MIOBBUVSVIZGRU-GFCCVEGCSA-N -1 0 354.815 2.806 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc(C2CC2)cc1 ZINC001589024204 1080310294 /nfs/dbraw/zinc/31/02/94/1080310294.db2.gz FXXBKCKKNCDIHY-QGZVFWFLSA-N -1 0 354.406 2.968 20 30 FFEDRM CC(C)(C)[C@@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001589095787 1080351533 /nfs/dbraw/zinc/35/15/33/1080351533.db2.gz MTVGLRDBGJUROI-HNNXBMFYSA-N -1 0 352.377 2.867 20 30 FFEDRM C[C@@](O)(CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)C(=O)[O-] ZINC001589144748 1080384203 /nfs/dbraw/zinc/38/42/03/1080384203.db2.gz WIJQSQWKQUCAEI-GOSISDBHSA-N -1 0 374.780 2.569 20 30 FFEDRM CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC001589205977 1080418433 /nfs/dbraw/zinc/41/84/33/1080418433.db2.gz RVXMQLYOZCEYIF-QGZVFWFLSA-N -1 0 352.346 2.808 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2CCc3cc(O)ccc32)o1 ZINC001589237656 1080440166 /nfs/dbraw/zinc/44/01/66/1080440166.db2.gz BLZVLYLXHDNUAS-UHFFFAOYSA-N -1 0 353.386 2.620 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)OCc2ccc(C#N)c(F)c2)c(C(=O)[O-])c1C ZINC001589248567 1080445911 /nfs/dbraw/zinc/44/59/11/1080445911.db2.gz HERDJTFOQPWSSK-UHFFFAOYSA-N -1 0 358.325 2.521 20 30 FFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC001589274458 1080458852 /nfs/dbraw/zinc/45/88/52/1080458852.db2.gz FYWBMVMVCRASQW-ZFWWWQNUSA-N -1 0 368.389 2.913 20 30 FFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001589274222 1080458944 /nfs/dbraw/zinc/45/89/44/1080458944.db2.gz ABCXISGXSWOYNN-XJKSGUPXSA-N -1 0 365.389 2.928 20 30 FFEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(Br)cc1C#N ZINC001589303686 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FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190750300 510324324 /nfs/dbraw/zinc/32/43/24/510324324.db2.gz WVNJMWNMGXMRRT-UHFFFAOYSA-N -1 0 350.371 2.905 20 30 FFEDRM C=CCC[C@@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)C(=O)[O-] ZINC000262768744 510404220 /nfs/dbraw/zinc/40/42/20/510404220.db2.gz AEKGEBKHALKGCI-MRXNPFEDSA-N -1 0 372.425 2.512 20 30 FFEDRM CCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c2ccccc12 ZINC000187728418 510405605 /nfs/dbraw/zinc/40/56/05/510405605.db2.gz MBKSQSDHHCJART-UHFFFAOYSA-N -1 0 356.407 2.644 20 30 FFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000187760844 510422135 /nfs/dbraw/zinc/42/21/35/510422135.db2.gz DHKUWAJMAZCCSD-UHFFFAOYSA-N -1 0 362.308 2.733 20 30 FFEDRM C=CCC[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)C(=O)[O-] ZINC000262844011 510436656 /nfs/dbraw/zinc/43/66/56/510436656.db2.gz HEQAYSKNJOQXAY-HNNXBMFYSA-N -1 0 350.390 2.960 20 30 FFEDRM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2cnc3ccccc3n2)NC1=O ZINC000190978308 510445976 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FFEDRM C=CCOC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(=O)[O-] ZINC000263071609 510546749 /nfs/dbraw/zinc/54/67/49/510546749.db2.gz RLRIRUIETPCZJJ-MRXNPFEDSA-N -1 0 361.438 2.587 20 30 FFEDRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000194855147 510558345 /nfs/dbraw/zinc/55/83/45/510558345.db2.gz LZGVRKLYMVMKDS-UHFFFAOYSA-N -1 0 374.344 2.959 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cn(-c2ccccc2)nc1C ZINC000184875928 510559531 /nfs/dbraw/zinc/55/95/31/510559531.db2.gz BGCRIGVXPJEZNG-UHFFFAOYSA-N -1 0 368.418 2.862 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000263161929 510590939 /nfs/dbraw/zinc/59/09/39/510590939.db2.gz YBSXVYDDLYUJRK-MCIONIFRSA-N -1 0 358.221 2.869 20 30 FFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000181795240 510596319 /nfs/dbraw/zinc/59/63/19/510596319.db2.gz JFGHALJCRFJJHC-UHFFFAOYSA-N -1 0 368.361 2.662 20 30 FFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000181794550 510596441 /nfs/dbraw/zinc/59/64/41/510596441.db2.gz MDDJWLWIQXDRIF-UHFFFAOYSA-N -1 0 368.361 2.662 20 30 FFEDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000195000617 510625544 /nfs/dbraw/zinc/62/55/44/510625544.db2.gz QIAVZXVIZGGFGG-UHFFFAOYSA-N -1 0 362.798 2.897 20 30 FFEDRM C=CCOCCCC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000263263662 510637031 /nfs/dbraw/zinc/63/70/31/510637031.db2.gz WQIYBPKKZPXRIG-UHFFFAOYSA-N -1 0 370.243 2.845 20 30 FFEDRM N#CCCCCS(=O)(=O)c1nc(-c2ccccc2Br)n[n-]1 ZINC000195110566 510673831 /nfs/dbraw/zinc/67/38/31/510673831.db2.gz QLSVVYRUFKQIRP-UHFFFAOYSA-N -1 0 369.244 2.702 20 30 FFEDRM CC(C)(C)c1[n-]n(CC(=O)NCc2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000270215088 510720329 /nfs/dbraw/zinc/72/03/29/510720329.db2.gz GKNQXZAZKKSFOR-UHFFFAOYSA-N -1 0 365.437 2.530 20 30 FFEDRM Cc1ncc(CO)c(/C=N/[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC000275350801 510880174 /nfs/dbraw/zinc/88/01/74/510880174.db2.gz ZCMZYIMFWKTWEC-SNECLCAASA-N -1 0 363.458 2.652 20 30 FFEDRM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000360551380 510920067 /nfs/dbraw/zinc/92/00/67/510920067.db2.gz BBVJDAINGZDTJD-UHFFFAOYSA-N -1 0 373.416 2.625 20 30 FFEDRM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000270680302 510948559 /nfs/dbraw/zinc/94/85/59/510948559.db2.gz YIDSTYBHRUCRIP-FZMZJTMJSA-N -1 0 358.410 2.708 20 30 FFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000279178005 511020492 /nfs/dbraw/zinc/02/04/92/511020492.db2.gz HPCPHWOQTRHITA-NEPJUHHUSA-N -1 0 361.751 2.724 20 30 FFEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000364871634 511126549 /nfs/dbraw/zinc/12/65/49/511126549.db2.gz KSDWVXAGUGQAFB-NVNXTCNLSA-N -1 0 352.346 2.929 20 30 FFEDRM COCCCn1nccc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000283090255 511231808 /nfs/dbraw/zinc/23/18/08/511231808.db2.gz UUJMLKIKFYJBBR-NPQIQWPPSA-N -1 0 358.394 2.668 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295152167 511300810 /nfs/dbraw/zinc/30/08/10/511300810.db2.gz BTJQDHXCDBLICA-VIFPVBQESA-N -1 0 374.344 2.531 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000321623870 511820309 /nfs/dbraw/zinc/82/03/09/511820309.db2.gz IVEXOTFLKKPGTE-UKRRQHHQSA-N -1 0 356.831 2.523 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c1 ZINC000324159745 511834272 /nfs/dbraw/zinc/83/42/72/511834272.db2.gz CQZUKHCKXBPDDG-UHFFFAOYSA-N -1 0 350.783 2.852 20 30 FFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000326169208 511854364 /nfs/dbraw/zinc/85/43/64/511854364.db2.gz NJVCTIDCVLPBTQ-LBPRGKRZSA-N -1 0 370.858 2.723 20 30 FFEDRM Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000326909073 511864713 /nfs/dbraw/zinc/86/47/13/511864713.db2.gz FLXIPBNYXILRPV-UHFFFAOYSA-N -1 0 358.419 2.845 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)[N-]OC[C@H](C)CC)cc1 ZINC000293265331 511900460 /nfs/dbraw/zinc/90/04/60/511900460.db2.gz HBUMIBAJXRDGHP-OAHLLOKOSA-N -1 0 373.453 2.533 20 30 FFEDRM Cc1csc([C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C2CC2)n1 ZINC000293283793 511907887 /nfs/dbraw/zinc/90/78/87/511907887.db2.gz HUTKYRIIWDFMIA-AWEZNQCLSA-N -1 0 351.428 2.892 20 30 FFEDRM N#Cc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)cc1 ZINC000274866083 511969866 /nfs/dbraw/zinc/96/98/66/511969866.db2.gz KUHWGXYOCZTVGU-UHFFFAOYSA-N -1 0 367.361 2.856 20 30 FFEDRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)s1 ZINC000329132642 511989606 /nfs/dbraw/zinc/98/96/06/511989606.db2.gz AUWUZRJHCXXBHL-NSHDSACASA-N -1 0 365.503 2.517 20 30 FFEDRM N#Cc1ccc(OC2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)nc1 ZINC000297077973 512010490 /nfs/dbraw/zinc/01/04/90/512010490.db2.gz JSJRKHAMWXCWMR-UHFFFAOYSA-N -1 0 371.368 2.624 20 30 FFEDRM N#CCOc1ccccc1C(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 ZINC000377941048 512521972 /nfs/dbraw/zinc/52/19/72/512521972.db2.gz GWWGSPMBSQVZCK-UHFFFAOYSA-N -1 0 355.304 2.905 20 30 FFEDRM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000372157723 512738742 /nfs/dbraw/zinc/73/87/42/512738742.db2.gz UQMMETKTZMNKHJ-OAHLLOKOSA-N -1 0 358.405 2.758 20 30 FFEDRM CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000367974607 512747949 /nfs/dbraw/zinc/74/79/49/512747949.db2.gz VHHCTVPAXQAGNP-NVNXTCNLSA-N -1 0 351.358 2.719 20 30 FFEDRM CCC(CC)(CNC(=O)N(C)CCOCc1ccc(C#N)cc1)C(=O)[O-] ZINC000424432051 513143200 /nfs/dbraw/zinc/14/32/00/513143200.db2.gz PPQAWUFGZOOJBU-UHFFFAOYSA-N -1 0 361.442 2.607 20 30 FFEDRM COc1cccc(O[C@H](C)CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000440272562 513285511 /nfs/dbraw/zinc/28/55/11/513285511.db2.gz NLFDWXSNCFLUFK-LLVKDONJSA-N -1 0 373.434 2.587 20 30 FFEDRM CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1c(C)nn(C)c1C ZINC000440288006 513287151 /nfs/dbraw/zinc/28/71/51/513287151.db2.gz CNLPUQPBPIYBEI-CYBMUJFWSA-N -1 0 359.455 2.612 20 30 FFEDRM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000446761961 513333209 /nfs/dbraw/zinc/33/32/09/513333209.db2.gz PSZHHSAZTSXCNO-UHFFFAOYSA-N -1 0 359.407 2.548 20 30 FFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000447154661 513407256 /nfs/dbraw/zinc/40/72/56/513407256.db2.gz BVKXRWBBFDDVIF-OAHLLOKOSA-N -1 0 367.467 2.968 20 30 FFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000447154660 513407758 /nfs/dbraw/zinc/40/77/58/513407758.db2.gz BVKXRWBBFDDVIF-HNNXBMFYSA-N -1 0 367.467 2.968 20 30 FFEDRM C[C@H](O[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC000421803377 513437814 /nfs/dbraw/zinc/43/78/14/513437814.db2.gz ICLGKNCUNDEDQG-KBPBESRZSA-N -1 0 352.390 2.720 20 30 FFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)cc1C(C)C ZINC000451084707 513507667 /nfs/dbraw/zinc/50/76/67/513507667.db2.gz AVLVXGLAVYKQPQ-UHFFFAOYSA-N -1 0 359.451 2.925 20 30 FFEDRM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435485361 513602172 /nfs/dbraw/zinc/60/21/72/513602172.db2.gz VWMIGFMEHBDLQN-LLVKDONJSA-N -1 0 364.448 2.772 20 30 FFEDRM Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1C#N ZINC000435697965 513660813 /nfs/dbraw/zinc/66/08/13/513660813.db2.gz PFEHXXWEZGHCOR-ZDUSSCGKSA-N -1 0 358.419 2.931 20 30 FFEDRM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435759205 513678728 /nfs/dbraw/zinc/67/87/28/513678728.db2.gz JBDYPCMQKKJVHP-UHFFFAOYSA-N -1 0 367.434 2.946 20 30 FFEDRM COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C#N)c([O-])c3)n2)c[nH]1 ZINC000442971987 513831689 /nfs/dbraw/zinc/83/16/89/513831689.db2.gz LLUQQPFMDZFDEB-UHFFFAOYSA-N -1 0 368.374 2.754 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000451639031 513878600 /nfs/dbraw/zinc/87/86/00/513878600.db2.gz GZSQRFKQOWUHHD-JTQLQIEISA-N -1 0 350.337 2.940 20 30 FFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000422646785 513890775 /nfs/dbraw/zinc/89/07/75/513890775.db2.gz UUQDQDRCNJYOKG-SNVBAGLBSA-N -1 0 369.215 2.557 20 30 FFEDRM CC#CCNC(=O)N=c1[n-]nc(-c2cc(Br)ccc2F)s1 ZINC000443383563 513956768 /nfs/dbraw/zinc/95/67/68/513956768.db2.gz ULEQNVWHSMIFRS-UHFFFAOYSA-N -1 0 369.219 2.673 20 30 FFEDRM N#Cc1ccc(-n2ccc(NC(=O)c3ccc(F)cc3[O-])n2)c(Cl)c1 ZINC000436743235 513963906 /nfs/dbraw/zinc/96/39/06/513963906.db2.gz YZPRYIYQLBGMAN-UHFFFAOYSA-N -1 0 356.744 2.916 20 30 FFEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000443414808 513964789 /nfs/dbraw/zinc/96/47/89/513964789.db2.gz DGLDJPFNVOMWNN-UHFFFAOYSA-N -1 0 350.400 2.731 20 30 FFEDRM Cc1nc(COc2ccc(F)cc2)sc1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000431680793 513965733 /nfs/dbraw/zinc/96/57/33/513965733.db2.gz VPXPDBOFILCXIJ-UHFFFAOYSA-N -1 0 371.397 2.747 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1C#N ZINC000431680298 513965822 /nfs/dbraw/zinc/96/58/22/513965822.db2.gz HGRSVHKDQXMBJJ-UHFFFAOYSA-N -1 0 359.389 2.825 20 30 FFEDRM C=CCC1(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CCCC1 ZINC000414339309 514055219 /nfs/dbraw/zinc/05/52/19/514055219.db2.gz MLHAAUGNJRUSAA-UHFFFAOYSA-N -1 0 353.440 2.808 20 30 FFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000416940618 514057228 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CCCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000112758829 728548633 /nfs/dbraw/zinc/54/86/33/728548633.db2.gz DNQOJXYQFMBBOR-CQSZACIVSA-N -1 0 362.861 2.964 20 30 FFEDRM C=CCNS(=O)(=O)c1cc(C(=O)N2CCS[C@H]2CCC)ccc1F ZINC000118649591 728583846 /nfs/dbraw/zinc/58/38/46/728583846.db2.gz BJIBVLKZGABYFS-HNNXBMFYSA-N -1 0 372.487 2.605 20 30 FFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C)o1 ZINC000121030917 728619283 /nfs/dbraw/zinc/61/92/83/728619283.db2.gz NPNOJKSOBWMCBS-UHFFFAOYSA-N -1 0 372.324 2.906 20 30 FFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(Cl)cc1F ZINC000121835701 728640083 /nfs/dbraw/zinc/64/00/83/728640083.db2.gz JCOQDUVEARMKTN-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000121853509 728640676 /nfs/dbraw/zinc/64/06/76/728640676.db2.gz IUULUPIPABFXRT-QGZVFWFLSA-N -1 0 354.431 2.864 20 30 FFEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000122358630 728646727 /nfs/dbraw/zinc/64/67/27/728646727.db2.gz SBPPHKWZPSUJKE-UHFFFAOYSA-N -1 0 369.305 2.576 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)nc3)cc2[n-]c1=S ZINC000122484003 728647827 /nfs/dbraw/zinc/64/78/27/728647827.db2.gz VAHSFGDNVGHBRT-UHFFFAOYSA-N -1 0 352.419 2.827 20 30 FFEDRM Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122761940 728651357 /nfs/dbraw/zinc/65/13/57/728651357.db2.gz XWSNOUXQDPHRNK-LBPRGKRZSA-N -1 0 354.391 2.579 20 30 FFEDRM CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000123771850 728662477 /nfs/dbraw/zinc/66/24/77/728662477.db2.gz ZIQMFRJSCVBUGL-SFHVURJKSA-N -1 0 356.447 2.878 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000123921284 728664412 /nfs/dbraw/zinc/66/44/12/728664412.db2.gz SKUKFWBFZZMMLZ-NSHDSACASA-N -1 0 357.332 2.652 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000124317214 728669114 /nfs/dbraw/zinc/66/91/14/728669114.db2.gz BFJQDWBRIDOSKQ-NSHDSACASA-N -1 0 363.464 2.737 20 30 FFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125250497 728681167 /nfs/dbraw/zinc/68/11/67/728681167.db2.gz DNJJFGKLWBDXFQ-UHFFFAOYSA-N -1 0 364.358 2.838 20 30 FFEDRM Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000127461591 728706370 /nfs/dbraw/zinc/70/63/70/728706370.db2.gz LTUNIWGUOGFYOZ-UHFFFAOYSA-N -1 0 358.297 2.597 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1C#N ZINC000129447730 728711591 /nfs/dbraw/zinc/71/15/91/728711591.db2.gz XSKZDOYZIDKMOO-UHFFFAOYSA-N -1 0 351.391 2.611 20 30 FFEDRM Cc1ccc2cc(C(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2n1 ZINC000136032831 728739196 /nfs/dbraw/zinc/73/91/96/728739196.db2.gz JWYMBEPOTOQPQV-UHFFFAOYSA-N -1 0 351.387 2.534 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136583662 728739718 /nfs/dbraw/zinc/73/97/18/728739718.db2.gz PABGBMWOHIMDPA-ZDUSSCGKSA-N -1 0 354.435 2.976 20 30 FFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)sc1Br ZINC000136879099 728739936 /nfs/dbraw/zinc/73/99/36/728739936.db2.gz CCGZOYJABWSQHU-VIFPVBQESA-N -1 0 371.256 2.900 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)cc1 ZINC000171146380 728998771 /nfs/dbraw/zinc/99/87/71/728998771.db2.gz VMPPQCZIZDXJAY-CQSZACIVSA-N -1 0 357.435 2.914 20 30 FFEDRM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc(C(N)=O)s1 ZINC000171266352 729001301 /nfs/dbraw/zinc/00/13/01/729001301.db2.gz LKVWWEWFCNGNJS-QMMMGPOBSA-N -1 0 365.773 2.601 20 30 FFEDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000173890073 729056070 /nfs/dbraw/zinc/05/60/70/729056070.db2.gz NIZWHPFPMHWYLV-SFHVURJKSA-N -1 0 356.447 2.944 20 30 FFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000175076062 729086191 /nfs/dbraw/zinc/08/61/91/729086191.db2.gz KXOFQPKNTPQSBK-VIFPVBQESA-N -1 0 354.840 2.882 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000179328015 729183988 /nfs/dbraw/zinc/18/39/88/729183988.db2.gz VXYOGBOOUWVNCF-UHFFFAOYSA-N -1 0 352.371 2.937 20 30 FFEDRM COc1ccc2sc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)c2c1 ZINC000181279334 729240281 /nfs/dbraw/zinc/24/02/81/729240281.db2.gz RCUUEDBQORNBCA-UHFFFAOYSA-N -1 0 352.437 2.582 20 30 FFEDRM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C ZINC000185356348 729347539 /nfs/dbraw/zinc/34/75/39/729347539.db2.gz KKEXFFOBMCWYAW-ZDUSSCGKSA-N -1 0 360.410 2.686 20 30 FFEDRM CC(C)C[C@H](C#N)NC(=O)c1cccc(I)c1[O-] ZINC000755228074 736242741 /nfs/dbraw/zinc/24/27/41/736242741.db2.gz OTCBCNZWARYJDD-SECBINFHSA-N -1 0 358.179 2.665 20 30 FFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000187087410 729372566 /nfs/dbraw/zinc/37/25/66/729372566.db2.gz HRJLADRFVGLDIV-UHFFFAOYSA-N -1 0 358.419 2.766 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000193417635 729478126 /nfs/dbraw/zinc/47/81/26/729478126.db2.gz PTWMJWSDFFNFSK-GFCCVEGCSA-N -1 0 363.826 2.549 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000195496267 729540088 /nfs/dbraw/zinc/54/00/88/729540088.db2.gz AFGYTRAQNYTEOJ-UHFFFAOYSA-N -1 0 368.336 2.837 20 30 FFEDRM CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1F ZINC000255215523 729634383 /nfs/dbraw/zinc/63/43/83/729634383.db2.gz MPOTYMFEPIWCNO-UTCJRWHESA-N -1 0 365.338 2.739 20 30 FFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000255275506 729635112 /nfs/dbraw/zinc/63/51/12/729635112.db2.gz VBRFNDIRNSDXTR-YFHOEESVSA-N -1 0 356.403 2.709 20 30 FFEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000759486462 736572428 /nfs/dbraw/zinc/57/24/28/736572428.db2.gz GQTALZHLWYSDLO-LLVKDONJSA-N -1 0 357.328 2.760 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3c(s2)CCCC3)CCCC1 ZINC000779319227 738454999 /nfs/dbraw/zinc/45/49/99/738454999.db2.gz DTMBQMWTFBSIAZ-UHFFFAOYSA-N -1 0 352.481 2.770 20 30 FFEDRM N=c1[n-]nc([C@H]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000639820387 730104348 /nfs/dbraw/zinc/10/43/48/730104348.db2.gz HFTFEUNGJGJTMD-ZDUSSCGKSA-N -1 0 350.344 2.732 20 30 FFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000761294647 736719256 /nfs/dbraw/zinc/71/92/56/736719256.db2.gz YNLLCJSQOMTIFS-SFHVURJKSA-N -1 0 357.431 2.747 20 30 FFEDRM C=CCCO[N-]C(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C ZINC000856033393 730300229 /nfs/dbraw/zinc/30/02/29/730300229.db2.gz FCPWGKPVAJHTKE-SCLBCKFNSA-N -1 0 356.463 2.709 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C(F)(F)F)c1 ZINC000860461753 730514432 /nfs/dbraw/zinc/51/44/32/730514432.db2.gz MSYFHDBAYKPPBT-ZDUSSCGKSA-N -1 0 356.344 2.879 20 30 FFEDRM N#CC(C(=O)c1cn(C2CC2)nn1)=C([O-])c1sccc1Br ZINC000860854190 730553866 /nfs/dbraw/zinc/55/38/66/730553866.db2.gz TUEBQDZPRANCQJ-MRVPVSSYSA-N -1 0 365.212 2.642 20 30 FFEDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779844059 738488638 /nfs/dbraw/zinc/48/86/38/738488638.db2.gz FICLQFGZUUPLCQ-JTQLQIEISA-N -1 0 366.420 2.626 20 30 FFEDRM C#CC[C@H]1CCN(C(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)C1 ZINC000862562138 730709222 /nfs/dbraw/zinc/70/92/22/730709222.db2.gz FWOJWXBRVRWMPM-AWEZNQCLSA-N -1 0 356.447 2.697 20 30 FFEDRM C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC000863421329 730778969 /nfs/dbraw/zinc/77/89/69/730778969.db2.gz RDMAOLCTDSMOQE-CYBMUJFWSA-N -1 0 361.847 2.656 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000864185725 730829073 /nfs/dbraw/zinc/82/90/73/730829073.db2.gz AHQIDAZUJJIZBI-XBFCOCLRSA-N -1 0 353.802 2.519 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C(=O)[O-] ZINC000864186748 730829347 /nfs/dbraw/zinc/82/93/47/730829347.db2.gz WUSMNYNIDGDLAU-ZDUSSCGKSA-N -1 0 361.785 2.940 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)CCCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000864190107 730829466 /nfs/dbraw/zinc/82/94/66/730829466.db2.gz YIZXSLDNENNUQL-CQSZACIVSA-N -1 0 367.829 2.883 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(C)n(C[C@H]2CCCOC2)c1C)C(=O)[O-] ZINC000864189892 730829566 /nfs/dbraw/zinc/82/95/66/730829566.db2.gz WALGXVVRGMQLDZ-GDBMZVCRSA-N -1 0 368.861 2.857 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NCCCn1c(C)nc2ccccc21)C(=O)[O-] ZINC000864520103 730855866 /nfs/dbraw/zinc/85/58/66/730855866.db2.gz JZECWBICLBUBAT-AWEZNQCLSA-N -1 0 364.833 2.630 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NCCc1ccccc1OC(F)F)C(=O)[O-] ZINC000864522488 730856421 /nfs/dbraw/zinc/85/64/21/730856421.db2.gz KRNJCJMSTNARPS-NSHDSACASA-N -1 0 362.760 2.726 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NCc1c(F)cccc1OC(F)F)C(=O)[O-] ZINC000864526809 730857227 /nfs/dbraw/zinc/85/72/27/730857227.db2.gz PVXQZVFRNTVADH-JTQLQIEISA-N -1 0 366.723 2.822 20 30 FFEDRM C=CCC[C@H](CO)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000867368229 731176548 /nfs/dbraw/zinc/17/65/48/731176548.db2.gz OOGUMSZIUNXQDG-SNVBAGLBSA-N -1 0 374.256 2.801 20 30 FFEDRM N#Cc1cccc([C@@H]([N-]S(=O)(=O)C[C@H]2CCCCO2)C(F)(F)F)c1 ZINC000867898147 731239816 /nfs/dbraw/zinc/23/98/16/731239816.db2.gz BDPXCWGXUNARLL-ZIAGYGMSSA-N -1 0 362.373 2.650 20 30 FFEDRM N#Cc1cccc([C@@H]([N-]S(=O)(=O)CC[C@H]2CCOC2)C(F)(F)F)c1 ZINC000867898938 731239959 /nfs/dbraw/zinc/23/99/59/731239959.db2.gz QWQXBOXWXMDSSR-BXUZGUMPSA-N -1 0 362.373 2.508 20 30 FFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000870244317 731485638 /nfs/dbraw/zinc/48/56/38/731485638.db2.gz XFBRCAGQWIAMOV-SNVBAGLBSA-N -1 0 370.356 2.506 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000870371488 731505120 /nfs/dbraw/zinc/50/51/20/731505120.db2.gz ZHVUZAOHQBZXSB-KRWDZBQOSA-N -1 0 362.495 2.985 20 30 FFEDRM C=C(C)CS(=O)(=O)N[C@@H](CCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000656520727 731589847 /nfs/dbraw/zinc/58/98/47/731589847.db2.gz QXZUUWRUWWOMHY-ZDUSSCGKSA-N -1 0 365.373 2.587 20 30 FFEDRM O=C1Nc2cccc(Br)c2C1=N[N-]c1ncncc1Cl ZINC000780275509 738530246 /nfs/dbraw/zinc/53/02/46/738530246.db2.gz QDMNHNQRJZHSMV-UHFFFAOYSA-N -1 0 352.579 2.661 20 30 FFEDRM Cn1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c(Br)n1 ZINC000871736693 731674068 /nfs/dbraw/zinc/67/40/68/731674068.db2.gz UZHRGQUGSCZMDB-UHFFFAOYSA-N -1 0 366.263 2.887 20 30 FFEDRM Cc1cccc(C#N)c1S(=O)(=O)N1CCCC[C@H]1C[C@@H](C)C(=O)[O-] ZINC000871768851 731678676 /nfs/dbraw/zinc/67/86/76/731678676.db2.gz BDOGHJHINSSOFB-HIFRSBDPSA-N -1 0 350.440 2.521 20 30 FFEDRM Cc1cc(C)c(S(=O)(=O)N2CCC(C)(C#N)CC2)c(C)c1CC(=O)[O-] ZINC000871937880 731704758 /nfs/dbraw/zinc/70/47/58/731704758.db2.gz YUOAXZJYLBUKSF-UHFFFAOYSA-N -1 0 364.467 2.553 20 30 FFEDRM Cc1cc(C)c(S(=O)(=O)N2CCC[C@](C)(C#N)C2)c(C)c1CC(=O)[O-] ZINC000871940431 731705940 /nfs/dbraw/zinc/70/59/40/731705940.db2.gz IPPLPFBUQLMFGO-GOSISDBHSA-N -1 0 364.467 2.553 20 30 FFEDRM C#CCCCNC(=O)[C@@]1(CC(=O)[O-])CCc2cc(Br)ccc21 ZINC000872860448 731843269 /nfs/dbraw/zinc/84/32/69/731843269.db2.gz MRGFKAJRKLSORH-QGZVFWFLSA-N -1 0 364.239 2.637 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOc1ccc2ccccc2c1 ZINC000780476455 738547002 /nfs/dbraw/zinc/54/70/02/738547002.db2.gz RWKYWFKINSVNFF-UHFFFAOYSA-N -1 0 360.435 2.604 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](c3nc(C)cs3)C2)cc1C#N ZINC000874490544 732065365 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20 30 FFEDRM CC(C)Cc1nc(C#N)c(N=NC2CCCc3c(C#N)c(=O)[n-]cc32)o1 ZINC000844578574 998002704 /nfs/dbraw/zinc/00/27/04/998002704.db2.gz CAMBCTJGGNETSZ-UHFFFAOYSA-N -1 0 350.382 2.870 20 30 FFEDRM COc1cc(C#N)ccc1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001599347629 998036295 /nfs/dbraw/zinc/03/62/95/998036295.db2.gz ICQIDZMGHKFQFM-UHFFFAOYSA-N -1 0 371.418 2.866 20 30 FFEDRM Cc1c([N-][NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)cccc1C(=O)[O-] ZINC000844628103 998036672 /nfs/dbraw/zinc/03/66/72/998036672.db2.gz XRZFNIPWOVGMFM-UHFFFAOYSA-N -1 0 374.832 2.765 20 30 FFEDRM COc1cc(OC)c2ncc(C#N)c(N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)c2c1 ZINC001599449895 998074079 /nfs/dbraw/zinc/07/40/79/998074079.db2.gz WVUHPIRTDSAGNI-RBZFPXEDSA-N -1 0 367.405 2.815 20 30 FFEDRM COc1c2ccccc2[nH]c1C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000803816187 1016190596 /nfs/dbraw/zinc/19/05/96/1016190596.db2.gz ATBCNPOFZMAGKA-GFCCVEGCSA-N -1 0 369.402 2.975 20 30 FFEDRM COc1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1C#N ZINC001599560635 998187290 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2.935 20 30 FFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786540955 1001598620 /nfs/dbraw/zinc/59/86/20/1001598620.db2.gz UXJMEAXTNZDHEQ-INIZCTEOSA-N -1 0 370.792 2.765 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc([C@@H]3CCCO3)s2)c1 ZINC000786542486 1001602058 /nfs/dbraw/zinc/60/20/58/1001602058.db2.gz OMOMPYJQTJQUKR-GJZGRUSLSA-N -1 0 369.446 2.942 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)c1 ZINC000786548102 1001603216 /nfs/dbraw/zinc/60/32/16/1001603216.db2.gz HDQSLMZZCIRSHS-INIZCTEOSA-N -1 0 351.406 2.816 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)c1 ZINC000786548007 1001603323 /nfs/dbraw/zinc/60/33/23/1001603323.db2.gz GKQQUTJOQIQCQM-IBGZPJMESA-N -1 0 372.428 2.879 20 30 FFEDRM CCCCn1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1C ZINC000786554115 1001604798 /nfs/dbraw/zinc/60/47/98/1001604798.db2.gz AOBXNVDTVXTDMN-OAHLLOKOSA-N -1 0 374.391 2.909 20 30 FFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccnn1C1CCCC1 ZINC000786560232 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C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001588771546 1080188608 /nfs/dbraw/zinc/18/86/08/1080188608.db2.gz XFPQDLMMDDDWPC-PBHICJAKSA-N -1 0 374.437 2.730 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2nc3ccccc3n2C)o1 ZINC001588781262 1080193432 /nfs/dbraw/zinc/19/34/32/1080193432.db2.gz PXRVAJKHBKXRSP-UHFFFAOYSA-N -1 0 365.401 2.701 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cn(-c2cccc(Cl)c2F)nn1)C(=O)[O-] ZINC001588793603 1080198845 /nfs/dbraw/zinc/19/88/45/1080198845.db2.gz UFBMEJFZNMUJLU-LLVKDONJSA-N -1 0 366.780 2.599 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001588794318 1080199652 /nfs/dbraw/zinc/19/96/52/1080199652.db2.gz QZYVVAOLWFNNFS-DZGCQCFKSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001588794428 1080199947 /nfs/dbraw/zinc/19/99/47/1080199947.db2.gz UJGSOJKWNJBMNT-KBPBESRZSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588798280 1080200665 /nfs/dbraw/zinc/20/06/65/1080200665.db2.gz AHLFLVMRCBUKNB-LLVKDONJSA-N -1 0 351.346 2.793 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC001588798622 1080201757 /nfs/dbraw/zinc/20/17/57/1080201757.db2.gz LYKLFGWSKPPCPM-HNNXBMFYSA-N -1 0 355.456 2.870 20 30 FFEDRM C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@@H](C)COC ZINC001588824044 1080208625 /nfs/dbraw/zinc/20/86/25/1080208625.db2.gz MXPILYHNMMKBFY-LBPRGKRZSA-N -1 0 366.483 2.787 20 30 FFEDRM CC(C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001588829700 1080210512 /nfs/dbraw/zinc/21/05/12/1080210512.db2.gz PMZKJPKQHPSWJP-INIZCTEOSA-N -1 0 356.378 2.817 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001588832823 1080211452 /nfs/dbraw/zinc/21/14/52/1080211452.db2.gz RZISQGJGJJKXGQ-UHFFFAOYSA-N -1 0 356.407 2.611 20 30 FFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(C)nc1Cl ZINC001588832115 1080212145 /nfs/dbraw/zinc/21/21/45/1080212145.db2.gz BPMSFFIPFCRCSQ-UHFFFAOYSA-N -1 0 373.843 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PQGVTQBXTFGBCH-UHFFFAOYSA-N -1 0 360.414 2.769 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588917850 1080264258 /nfs/dbraw/zinc/26/42/58/1080264258.db2.gz DPUGQRIUALOLDN-HOCLYGCPSA-N -1 0 358.394 2.564 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccc(C2CC2)cc1 ZINC001589024203 1080310651 /nfs/dbraw/zinc/31/06/51/1080310651.db2.gz FXXBKCKKNCDIHY-KRWDZBQOSA-N -1 0 354.406 2.968 20 30 FFEDRM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589088219 1080344740 /nfs/dbraw/zinc/34/47/40/1080344740.db2.gz LBPPRGSAYRJHKP-VBNZEHGJSA-N -1 0 358.438 2.967 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3scnc32)o1 ZINC001589238053 1080440310 /nfs/dbraw/zinc/44/03/10/1080440310.db2.gz MMMLMWGMNLIXNA-UHFFFAOYSA-N -1 0 358.431 2.761 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2scnc2C2CC2)o1 ZINC001589238327 1080440677 /nfs/dbraw/zinc/44/06/77/1080440677.db2.gz SUGLKDMJUUAMGT-UHFFFAOYSA-N -1 0 358.431 2.932 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001589334372 1080486772 /nfs/dbraw/zinc/48/67/72/1080486772.db2.gz CHJHAVSXRAPYMW-QWHDWNGZSA-N -1 0 373.409 2.511 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589336286 1080487967 /nfs/dbraw/zinc/48/79/67/1080487967.db2.gz YIKIWFSPOPSGCI-ZUZCIYMTSA-N -1 0 371.315 2.848 20 30 FFEDRM CC[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)[O-] ZINC001589545504 1080597983 /nfs/dbraw/zinc/59/79/83/1080597983.db2.gz KTEFHLRNKXARSZ-SNVBAGLBSA-N -1 0 361.789 2.630 20 30 FFEDRM CC(C)(C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1cc(F)cc(C#N)c1 ZINC001589582555 1080618214 /nfs/dbraw/zinc/61/82/14/1080618214.db2.gz CKYQXZIOOFSCNI-UHFFFAOYSA-N -1 0 358.373 2.630 20 30 FFEDRM C[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](c2ccccc2)C1 ZINC001590209953 1081094765 /nfs/dbraw/zinc/09/47/65/1081094765.db2.gz QWAZSVJYZICBKP-QEJZJMRPSA-N -1 0 360.425 2.913 20 30 FFEDRM 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FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000738433414 600023205 /nfs/dbraw/zinc/02/32/05/600023205.db2.gz BJWPDCKNVZCDET-AWEZNQCLSA-N -1 0 354.362 2.667 20 30 FFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000739122631 600045383 /nfs/dbraw/zinc/04/53/83/600045383.db2.gz JABMDKSRNXXFEA-LJQANCHMSA-N -1 0 361.401 2.768 20 30 FFEDRM CC(C)COc1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)cc1 ZINC000736445062 600054023 /nfs/dbraw/zinc/05/40/23/600054023.db2.gz AEDLGKPVHWVENI-HNNXBMFYSA-N -1 0 374.462 2.558 20 30 FFEDRM C#CCOc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000736087009 600171950 /nfs/dbraw/zinc/17/19/50/600171950.db2.gz BBEJSYIFMDNEMI-UHFFFAOYSA-N -1 0 366.778 2.818 20 30 FFEDRM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736108768 600311684 /nfs/dbraw/zinc/31/16/84/600311684.db2.gz RRCKODUSBRMZCX-UHFFFAOYSA-N -1 0 374.343 2.816 20 30 FFEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736616182 600359541 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20 30 FFEDRM C#Cc1ccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])nc1 ZINC000736093604 600604148 /nfs/dbraw/zinc/60/41/48/600604148.db2.gz XBYYOUZTEVCPLY-IBGZPJMESA-N -1 0 358.397 2.889 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000739107426 600604739 /nfs/dbraw/zinc/60/47/39/600604739.db2.gz BOPKVUCAXGQMOX-JSNVTFDYSA-N -1 0 352.302 2.849 20 30 FFEDRM CCNc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000737129657 600604776 /nfs/dbraw/zinc/60/47/76/600604776.db2.gz MQRLFXCHZJOBKD-MRXNPFEDSA-N -1 0 369.333 2.881 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000739107427 600604849 /nfs/dbraw/zinc/60/48/49/600604849.db2.gz BOPKVUCAXGQMOX-OCKNTNFFSA-N -1 0 352.302 2.849 20 30 FFEDRM CC(=O)c1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736190806 600609420 /nfs/dbraw/zinc/60/94/20/600609420.db2.gz DNYCSKQVCYUABN-LJQANCHMSA-N -1 0 367.357 2.899 20 30 FFEDRM CC(C)n1ncc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cnc21 ZINC000736539560 600609666 /nfs/dbraw/zinc/60/96/66/600609666.db2.gz JWQDTZFONWHEAF-INIZCTEOSA-N -1 0 364.361 2.867 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)CSc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000739114830 600610474 /nfs/dbraw/zinc/61/04/74/600610474.db2.gz KTAKHZACDKKRIE-INIZCTEOSA-N -1 0 372.358 2.928 20 30 FFEDRM COc1cccc2c1OCC(C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)=C2 ZINC000738111911 600615639 /nfs/dbraw/zinc/61/56/39/600615639.db2.gz HSAASEFCSORDHC-GOSISDBHSA-N -1 0 365.341 2.712 20 30 FFEDRM C#CCOc1ccc(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000825631828 600691703 /nfs/dbraw/zinc/69/17/03/600691703.db2.gz NIDYWIOWZWECRP-CYBMUJFWSA-N -1 0 369.373 2.770 20 30 FFEDRM Cc1ccc(N2CCC[C@@H](N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2=O)cc1 ZINC000832939655 600756567 /nfs/dbraw/zinc/75/65/67/600756567.db2.gz QTKCXHQHQFSMLG-RTBURBONSA-N -1 0 363.417 2.778 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736708221 600937684 /nfs/dbraw/zinc/93/76/84/600937684.db2.gz RMBCRWIRUAEFQS-CYBMUJFWSA-N -1 0 356.353 2.973 20 30 FFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736708222 600938037 /nfs/dbraw/zinc/93/80/37/600938037.db2.gz RMBCRWIRUAEFQS-ZDUSSCGKSA-N -1 0 356.353 2.973 20 30 FFEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)o1 ZINC000739215732 600983651 /nfs/dbraw/zinc/98/36/51/600983651.db2.gz LBWYMJHKUPGASQ-CLTKARDFSA-N -1 0 370.329 2.913 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)O[C@H](C)c2ccc(C#N)cc2)c(C(=O)[O-])c1C ZINC000825937167 601132317 /nfs/dbraw/zinc/13/23/17/601132317.db2.gz SEWLSCJYUUDUSY-GFCCVEGCSA-N -1 0 354.362 2.943 20 30 FFEDRM COC(=O)CCOc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831159919 601303279 /nfs/dbraw/zinc/30/32/79/601303279.db2.gz IQWLMNGECIACCC-SFHVURJKSA-N -1 0 354.362 2.738 20 30 FFEDRM COc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1N1CCOC1=O ZINC000832407872 601307225 /nfs/dbraw/zinc/30/72/25/601307225.db2.gz LESRHOHVVIOGPM-QGZVFWFLSA-N -1 0 367.361 2.761 20 30 FFEDRM COc1ccccc1N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832623953 601309432 /nfs/dbraw/zinc/30/94/32/601309432.db2.gz XGIXRABPHMDJFY-IBGZPJMESA-N -1 0 351.406 2.515 20 30 FFEDRM COC(=O)c1cc(NC(=O)CSc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000831277161 601319131 /nfs/dbraw/zinc/31/91/31/601319131.db2.gz QKYQRAKIULHEAR-UHFFFAOYSA-N -1 0 370.386 2.774 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000833077217 601345157 /nfs/dbraw/zinc/34/51/57/601345157.db2.gz NICAPEDIPHEWAD-QGZVFWFLSA-N -1 0 353.330 2.702 20 30 FFEDRM CC[S@](=O)c1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830145853 601347274 /nfs/dbraw/zinc/34/72/74/601347274.db2.gz TUQWSZILZZKEBZ-CPJLOUKISA-N -1 0 357.387 2.668 20 30 FFEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)oc2c1C(=O)CCC2 ZINC000832854554 601348429 /nfs/dbraw/zinc/34/84/29/601348429.db2.gz ZRYJVDAVJOGNKT-KRWDZBQOSA-N -1 0 353.330 2.961 20 30 FFEDRM CCN(C)[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829608405 601354704 /nfs/dbraw/zinc/35/47/04/601354704.db2.gz JGAAQRMENKRLCB-QZTJIDSGSA-N -1 0 352.390 2.920 20 30 FFEDRM C=CC[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1)c1ccncc1 ZINC000825664799 601362538 /nfs/dbraw/zinc/36/25/38/601362538.db2.gz LWLSMGWSWBKBGZ-HNNXBMFYSA-N -1 0 354.366 2.544 20 30 FFEDRM COCCN(Cc1ccc(C#N)cc1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000831735140 601398765 /nfs/dbraw/zinc/39/87/65/601398765.db2.gz JGQFGCIQAFHOHI-UHFFFAOYSA-N -1 0 364.405 2.712 20 30 FFEDRM Cc1cc(C(=O)NCc2cc(C#N)ccc2F)cc(C)c1OCC(=O)[O-] ZINC000832864285 601567792 /nfs/dbraw/zinc/56/77/92/601567792.db2.gz SOLFCIPGJSBMTN-UHFFFAOYSA-N -1 0 356.353 2.708 20 30 FFEDRM C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C[C@@H](C)C(=O)[O-])c1 ZINC000825636726 601615900 /nfs/dbraw/zinc/61/59/00/601615900.db2.gz RKHUAJWUEQSXQL-CYBMUJFWSA-N -1 0 363.460 2.787 20 30 FFEDRM CCOC(=O)c1sc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc1C ZINC000829895212 601643877 /nfs/dbraw/zinc/64/38/77/601643877.db2.gz KEEPGFGUDUZWIQ-SMDDNHRTSA-N -1 0 373.434 2.976 20 30 FFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000678984757 601746727 /nfs/dbraw/zinc/74/67/27/601746727.db2.gz GPIWJCAQSOZFSJ-KRWDZBQOSA-N -1 0 359.353 2.955 20 30 FFEDRM COc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1Cn1cccn1 ZINC000832156676 601794082 /nfs/dbraw/zinc/79/40/82/601794082.db2.gz BPZLTCPMDZPULY-HYXAFXHYSA-N -1 0 351.362 2.862 20 30 FFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000830376607 601828952 /nfs/dbraw/zinc/82/89/52/601828952.db2.gz ZNMBGTMFZCQPML-KRWDZBQOSA-N -1 0 353.422 2.923 20 30 FFEDRM CN(C(=O)c1cc(C#N)cs1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830524253 602011154 /nfs/dbraw/zinc/01/11/54/602011154.db2.gz WJPGMRAXOKZNBI-CYBMUJFWSA-N -1 0 354.309 2.935 20 30 FFEDRM C[C@@H](Oc1ccc(C=NNC(=S)NCc2ccccc2)cc1)C(=O)[O-] ZINC000794864705 602067108 /nfs/dbraw/zinc/06/71/08/602067108.db2.gz DPLJSDPFHOXDKO-CYBMUJFWSA-N -1 0 357.435 2.537 20 30 FFEDRM C[C@@H](Oc1ccc(/C=C2\N=C(c3ccc(C#N)cc3)OC2=O)cc1)C(=O)[O-] ZINC000794690757 602067322 /nfs/dbraw/zinc/06/73/22/602067322.db2.gz YVUGRPATYJEFEW-HJPCULJESA-N -1 0 362.341 2.755 20 30 FFEDRM COC(=O)C[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000831123939 602086160 /nfs/dbraw/zinc/08/61/60/602086160.db2.gz JDEPFBCFUXGRRL-AWEZNQCLSA-N -1 0 365.385 2.922 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738489279 602164680 /nfs/dbraw/zinc/16/46/80/602164680.db2.gz CXGUVZOLDYFPHH-KRWDZBQOSA-N -1 0 356.426 2.646 20 30 FFEDRM C=CCn1c(-c2cccs2)nn(CN2CC[C@@H](C(=O)[O-])C2)c1=S ZINC000817690344 602187671 /nfs/dbraw/zinc/18/76/71/602187671.db2.gz YBGRQDXMYVJRBL-LLVKDONJSA-N -1 0 350.469 2.693 20 30 FFEDRM C#CCCCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000825600569 602290524 /nfs/dbraw/zinc/29/05/24/602290524.db2.gz VMFWNSNUVOCBER-UHFFFAOYSA-N -1 0 350.440 2.602 20 30 FFEDRM C=C(C)COCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000318247094 602328624 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20 30 FFEDRM CCn1cc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c2ccccc21 ZINC000058051265 728113444 /nfs/dbraw/zinc/11/34/44/728113444.db2.gz MDXKWGDMUFAMHY-UHFFFAOYSA-N -1 0 366.830 2.742 20 30 FFEDRM C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064697738 728152203 /nfs/dbraw/zinc/15/22/03/728152203.db2.gz ZTYDMJDDPIJJNK-QMMMGPOBSA-N -1 0 374.777 2.536 20 30 FFEDRM C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000068338288 728190253 /nfs/dbraw/zinc/19/02/53/728190253.db2.gz ZTYDMJDDPIJJNK-MRVPVSSYSA-N -1 0 374.777 2.536 20 30 FFEDRM CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086713 728217497 /nfs/dbraw/zinc/21/74/97/728217497.db2.gz HFKRZAQTABZDKA-ZDUSSCGKSA-N -1 0 358.847 2.776 20 30 FFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCC2=O)c1 ZINC000073086896 728217515 /nfs/dbraw/zinc/21/75/15/728217515.db2.gz ORTWEPYLHUPZOB-MRXNPFEDSA-N -1 0 352.456 2.596 20 30 FFEDRM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)[N-]S(=O)(=O)C(CC)CC ZINC000073838247 728227222 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374.384 2.859 20 30 FFEDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000779844062 738488749 /nfs/dbraw/zinc/48/87/49/738488749.db2.gz FICLQFGZUUPLCQ-SNVBAGLBSA-N -1 0 366.420 2.626 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)C(=O)[O-] ZINC000864182478 730828675 /nfs/dbraw/zinc/82/86/75/730828675.db2.gz NSGPYOBIAWEVMS-HERUPUMHSA-N -1 0 350.802 2.607 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(=O)[O-] ZINC000864183562 730828693 /nfs/dbraw/zinc/82/86/93/730828693.db2.gz KWUSGKCTELAIMD-ZDUSSCGKSA-N -1 0 361.785 2.940 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)COc1cccc(OCC(C)C)c1)C(=O)[O-] ZINC000864184044 730828853 /nfs/dbraw/zinc/82/88/53/730828853.db2.gz OBERJFKQEJYGJP-OAHLLOKOSA-N -1 0 355.818 2.812 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000864185312 730829106 /nfs/dbraw/zinc/82/91/06/730829106.db2.gz UUSMXUVARAJTNX-ZDUSSCGKSA-N -1 0 351.790 2.716 20 30 FFEDRM 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2.668 20 30 FFEDRM C#CCOc1ccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000123668480 1012987111 /nfs/dbraw/zinc/98/71/11/1012987111.db2.gz RHQXJWSVEKZKTE-UHFFFAOYSA-N -1 0 368.418 2.661 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)c1 ZINC000748411136 1017196621 /nfs/dbraw/zinc/19/66/21/1017196621.db2.gz KIKZGRCOZLHVPZ-UHFFFAOYSA-N -1 0 367.386 2.712 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@]2(C)CCOc3ccccc32)n1 ZINC000924416849 1017280882 /nfs/dbraw/zinc/28/08/82/1017280882.db2.gz OPIOGFMDHZMYFY-DJJJIMSYSA-N -1 0 370.430 2.911 20 30 FFEDRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000796631576 1019265452 /nfs/dbraw/zinc/26/54/52/1019265452.db2.gz XYEGBCIZVQNQQC-UHFFFAOYSA-N -1 0 371.462 2.594 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nn(-c2ccc(F)cc2)cc1C ZINC000802039563 1019658908 /nfs/dbraw/zinc/65/89/08/1019658908.db2.gz MWWSBFSLGIHSHW-MRXNPFEDSA-N -1 0 356.401 2.949 20 30 FFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000902161700 1019919046 /nfs/dbraw/zinc/91/90/46/1019919046.db2.gz ILISYPNUUJQSCI-HOCLYGCPSA-N -1 0 369.421 2.620 20 30 FFEDRM COCCCn1nccc1/C=C(/C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000802704113 1020338652 /nfs/dbraw/zinc/33/86/52/1020338652.db2.gz NWYQVCCAZAPVNA-DTQAZKPQSA-N -1 0 365.389 2.662 20 30 FFEDRM N#Cc1ccccc1N1CCC(NC(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000749534599 1021003266 /nfs/dbraw/zinc/00/32/66/1021003266.db2.gz ZLWFHQZFIIISAC-UHFFFAOYSA-N -1 0 373.416 2.606 20 30 FFEDRM C[C@@H](CO[N-]C(=O)C1(c2cccc(C#N)c2)CC1)NC(=O)OC(C)(C)C ZINC001116548550 1021276673 /nfs/dbraw/zinc/27/66/73/1021276673.db2.gz SELLIJKHXDKJQJ-ZDUSSCGKSA-N -1 0 359.426 2.551 20 30 FFEDRM COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])ccc1OCC#N ZINC000750083538 1021317408 /nfs/dbraw/zinc/31/74/08/1021317408.db2.gz ADKSVGIKLGYOGL-DUXPYHPUSA-N -1 0 355.306 2.769 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC001117851606 1021940362 /nfs/dbraw/zinc/94/03/62/1021940362.db2.gz MNJSZLIWJQVLCV-BMFZPTHFSA-N 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ZINC000750707055 1022384728 /nfs/dbraw/zinc/38/47/28/1022384728.db2.gz FGNALDQREDDRAF-MRXNPFEDSA-N -1 0 372.446 2.838 20 30 FFEDRM C=CCc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc(OC)c1OC ZINC000119859969 1022614175 /nfs/dbraw/zinc/61/41/75/1022614175.db2.gz DUJBSGVMDFELQZ-MRXNPFEDSA-N -1 0 356.422 2.814 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)Cc2ccccc2)c(C)c1 ZINC000048475271 1022730943 /nfs/dbraw/zinc/73/09/43/1022730943.db2.gz TTZNCFADCSHDNW-UHFFFAOYSA-N -1 0 374.462 2.698 20 30 FFEDRM Cc1cnn(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)c1 ZINC000048504179 1022734536 /nfs/dbraw/zinc/73/45/36/1022734536.db2.gz AXMFDTUFJQZFRY-UHFFFAOYSA-N -1 0 366.402 2.746 20 30 FFEDRM Cc1ccc(-n2cc(C(=O)[N-]S(=O)(=O)C=Cc3ccccc3)nn2)cc1 ZINC000048531297 1022743032 /nfs/dbraw/zinc/74/30/32/1022743032.db2.gz LCEGJADVXSACNP-QXMHVHEDSA-N -1 0 368.418 2.881 20 30 FFEDRM Cc1cnn(-c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)cc2)c1 ZINC000048609255 1022763547 /nfs/dbraw/zinc/76/35/47/1022763547.db2.gz WONVTPJBVHIJBP-UHFFFAOYSA-N -1 0 366.402 2.746 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc(F)cc3)n2)c1 ZINC000048609090 1022763926 /nfs/dbraw/zinc/76/39/26/1022763926.db2.gz KEVHLOHILDXKLS-UHFFFAOYSA-N -1 0 370.365 2.577 20 30 FFEDRM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)o1 ZINC000048858689 1022816433 /nfs/dbraw/zinc/81/64/33/1022816433.db2.gz FRTGDPXHYOLQSW-CYBMUJFWSA-N -1 0 369.402 2.568 20 30 FFEDRM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1O[C@H]1CNC(=O)C1 ZINC001218338593 1033113091 /nfs/dbraw/zinc/11/30/91/1033113091.db2.gz GVVRFEDOEXZTRI-IZPAUZPXSA-N -1 0 353.374 2.564 20 30 FFEDRM C#C[C@H](CC)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000754371906 1023461055 /nfs/dbraw/zinc/46/10/55/1023461055.db2.gz UAQHQMFFSFFVBE-CQSZACIVSA-N -1 0 372.446 2.638 20 30 FFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cccc(N2CCNC2=O)c1 ZINC001122997448 1023589072 /nfs/dbraw/zinc/58/90/72/1023589072.db2.gz VOPYXNQMCFCVFY-GOSISDBHSA-N -1 0 373.412 2.840 20 30 FFEDRM Cn1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)ccc1-c1ccccc1 ZINC000779319428 1023673883 /nfs/dbraw/zinc/67/38/83/1023673883.db2.gz GVIPVKPBQGRHMQ-UHFFFAOYSA-N -1 0 371.462 2.836 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(-c2c(F)cccc2F)c1 ZINC000757408564 1023821214 /nfs/dbraw/zinc/82/12/14/1023821214.db2.gz IBJNJLSMYAIVJQ-CQSZACIVSA-N -1 0 358.344 2.717 20 30 FFEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001121538276 1023835594 /nfs/dbraw/zinc/83/55/94/1023835594.db2.gz BBRGGBADSGCDRI-CQSZACIVSA-N -1 0 371.470 2.677 20 30 FFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001121595557 1023871042 /nfs/dbraw/zinc/87/10/42/1023871042.db2.gz CODCMDPAEAVMMD-AWEZNQCLSA-N -1 0 372.473 2.591 20 30 FFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCc2ccc(F)cc2C1 ZINC001121696728 1023932115 /nfs/dbraw/zinc/93/21/15/1023932115.db2.gz DNDYQIMPTOSJBE-UHFFFAOYSA-N -1 0 364.384 2.639 20 30 FFEDRM COC(=O)c1ccc(NN=C(C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000758120484 1023933914 /nfs/dbraw/zinc/93/39/14/1023933914.db2.gz RKTGFVVKYQIUCG-UHFFFAOYSA-N -1 0 359.338 2.932 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C#N ZINC000779677975 1024409947 /nfs/dbraw/zinc/40/99/47/1024409947.db2.gz ZUQCZWWGYYUTOK-UHFFFAOYSA-N -1 0 370.321 2.993 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(C)c2)c1 ZINC000193419738 1024506609 /nfs/dbraw/zinc/50/66/09/1024506609.db2.gz WEKKMYBCMCIMOZ-IBGZPJMESA-N -1 0 366.417 2.659 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCc1ccncc1 ZINC000759236708 1024528102 /nfs/dbraw/zinc/52/81/02/1024528102.db2.gz QRERPWYRWSOQIW-HNNXBMFYSA-N -1 0 367.405 2.728 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCc1nccs1 ZINC000759240974 1024530137 /nfs/dbraw/zinc/53/01/37/1024530137.db2.gz WBJVIGPKWLKPJW-LBPRGKRZSA-N -1 0 373.434 2.789 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC1CCOCC1 ZINC000759244232 1024533127 /nfs/dbraw/zinc/53/31/27/1024533127.db2.gz YJCKSZNOPNSUID-CQSZACIVSA-N -1 0 360.410 2.517 20 30 FFEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000759720578 1024740333 /nfs/dbraw/zinc/74/03/33/1024740333.db2.gz NMUKLAQKGOAFJC-UHFFFAOYSA-N -1 0 356.294 2.949 20 30 FFEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000779849025 1025175100 /nfs/dbraw/zinc/17/51/00/1025175100.db2.gz SJYFIFBHHMAWJX-ZDUSSCGKSA-N -1 0 374.418 2.955 20 30 FFEDRM C=CCO[N-]C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F ZINC000837046178 1025532350 /nfs/dbraw/zinc/53/23/50/1025532350.db2.gz FZMKXTZEPJVYOT-DQYPLSBCSA-N -1 0 364.392 2.972 20 30 FFEDRM C#CCC[C@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCOC)c2=O ZINC000839034459 1026569544 /nfs/dbraw/zinc/56/95/44/1026569544.db2.gz PDMJTTMDTNIXGF-ZDUSSCGKSA-N -1 0 374.462 2.680 20 30 FFEDRM CC[C@@](O)(CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000840621494 1027138432 /nfs/dbraw/zinc/13/84/32/1027138432.db2.gz PMLNGLAFKGOIMT-HNAYVOBHSA-N -1 0 372.446 2.859 20 30 FFEDRM COC(=O)n1ncc(C#N)c1[N-]C(F)(F)c1cc(Cl)nc(OC)c1 ZINC001158967607 1027209761 /nfs/dbraw/zinc/20/97/61/1027209761.db2.gz XUXHGFDCRTYHJY-UHFFFAOYSA-N -1 0 357.704 2.588 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)c2ccc3c(c2)OCO3)n1 ZINC000795906311 1028252901 /nfs/dbraw/zinc/25/29/01/1028252901.db2.gz FNAQNGBJKMXGNX-DGCLKSJQSA-N -1 0 372.402 2.703 20 30 FFEDRM C#CCOc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000780567813 1028735572 /nfs/dbraw/zinc/73/55/72/1028735572.db2.gz HWPKEOXDUOUIGN-SFHVURJKSA-N -1 0 350.374 2.915 20 30 FFEDRM C#C[C@H](C)Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC001163161192 1028828298 /nfs/dbraw/zinc/82/82/98/1028828298.db2.gz SLKJTPNKPRUETL-NSHDSACASA-N -1 0 358.448 2.926 20 30 FFEDRM Cc1ccc([C@H](C#N)c2ccc(NCC[N-]C(=O)C(F)(F)F)nn2)cc1 ZINC001156199525 1029087910 /nfs/dbraw/zinc/08/79/10/1029087910.db2.gz KNXKEYMJARSXOZ-ZDUSSCGKSA-N -1 0 363.343 2.531 20 30 FFEDRM Cc1oc2ccccc2c1CC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000781595968 1029294829 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20 30 FFEDRM C#C[C@H]1CCCN(c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)C1 ZINC001167006338 1030606287 /nfs/dbraw/zinc/60/62/87/1030606287.db2.gz BQTQGRRSMBKRBI-AWEZNQCLSA-N -1 0 359.426 2.871 20 30 FFEDRM N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000784574980 1030693566 /nfs/dbraw/zinc/69/35/66/1030693566.db2.gz YBXNKYBNJIFQKX-UHFFFAOYSA-N -1 0 366.398 2.595 20 30 FFEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccoc2CC(N)=O)cc1 ZINC000796791099 1030918567 /nfs/dbraw/zinc/91/85/67/1030918567.db2.gz CIECNFXCEJVJQA-LRDDRELGSA-N -1 0 367.405 2.782 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2csc(C)c2)cc1OC ZINC000796797052 1030919918 /nfs/dbraw/zinc/91/99/18/1030919918.db2.gz GQNDEOKUTKYDDZ-HNNXBMFYSA-N -1 0 372.446 2.755 20 30 FFEDRM COC(OC)c1c(/C=N/O)ccnc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205074283 1031509086 /nfs/dbraw/zinc/50/90/86/1031509086.db2.gz IHGJMZRNVWATPC-IFRROFPPSA-N -1 0 352.293 2.825 20 30 FFEDRM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc3cccc(O)c3cc2O)C1 ZINC001149651484 1031561024 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358.325 2.632 20 30 FFEDRM C=CC[C@@H](Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-])c1ccccc1 ZINC001226020164 1034494125 /nfs/dbraw/zinc/49/41/25/1034494125.db2.gz GTCRNXVERLGWMF-GFCCVEGCSA-N -1 0 359.338 2.963 20 30 FFEDRM N#Cc1c(OC[C@@H]2COc3cscc3O2)[n-]c(=O)cc1C(F)(F)F ZINC001226069008 1034513210 /nfs/dbraw/zinc/51/32/10/1034513210.db2.gz XVZZAJQKRFDSAC-ZETCQYMHSA-N -1 0 358.297 2.958 20 30 FFEDRM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)nc1 ZINC000835069993 1035508059 /nfs/dbraw/zinc/50/80/59/1035508059.db2.gz FWSIUYFSGFRIKI-CQSZACIVSA-N -1 0 372.425 2.810 20 30 FFEDRM C=C[C@@H](C)Oc1c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c2c1=O ZINC001227673760 1035667039 /nfs/dbraw/zinc/66/70/39/1035667039.db2.gz PLLLISUITURDML-MRVPVSSYSA-N -1 0 372.329 2.941 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)nn1C(C)C ZINC000835340140 1035701309 /nfs/dbraw/zinc/70/13/09/1035701309.db2.gz KAKNILALJNPICA-CYBMUJFWSA-N -1 0 360.364 2.690 20 30 FFEDRM 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/nfs/dbraw/zinc/36/46/19/1056364619.db2.gz BBDGAGNHHHJXEJ-GFCCVEGCSA-N -1 0 360.364 2.555 20 30 FFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 ZINC001339458251 1056474621 /nfs/dbraw/zinc/47/46/21/1056474621.db2.gz ZCLRVMHJYFSILK-BBRMVZONSA-N -1 0 370.457 2.579 20 30 FFEDRM Cc1cc(Br)ccc1CNC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001444154246 1058275099 /nfs/dbraw/zinc/27/50/99/1058275099.db2.gz ADLZBTPDYQGPJX-UHFFFAOYSA-N -1 0 360.211 2.968 20 30 FFEDRM Cn1cc(CNC(=O)c2s[n-]c(=O)c2Cl)c(-c2ccc(C#N)cc2)n1 ZINC001447592440 1058675299 /nfs/dbraw/zinc/67/52/99/1058675299.db2.gz HRUZOSXUUJWUGB-UHFFFAOYSA-N -1 0 373.825 2.704 20 30 FFEDRM CCc1ccc([C@@H]2CN(C(=O)c3[n-]c(=O)c(C#N)cc3C)CCO2)cc1 ZINC001447692270 1058691776 /nfs/dbraw/zinc/69/17/76/1058691776.db2.gz WUQZQFZRZHOSNH-KRWDZBQOSA-N -1 0 351.406 2.743 20 30 FFEDRM COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1C#N ZINC001454991664 1059662085 /nfs/dbraw/zinc/66/20/85/1059662085.db2.gz SWRWYKXUFDURAV-UHFFFAOYSA-N -1 0 370.315 2.989 20 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ZINC001526409806 1061118426 /nfs/dbraw/zinc/11/84/26/1061118426.db2.gz VIPZUPJVBNFLBK-INIZCTEOSA-N -1 0 370.457 2.723 20 30 FFEDRM N#Cc1cc(Cl)ncc1NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001436099786 1062636964 /nfs/dbraw/zinc/63/69/64/1062636964.db2.gz XOGHTJKUSOVOOK-UHFFFAOYSA-N -1 0 372.690 2.630 20 30 FFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cn2cc(Cl)cn2)s1 ZINC001523999556 1062684702 /nfs/dbraw/zinc/68/47/02/1062684702.db2.gz QZROEESWTXBCDI-ZDUSSCGKSA-N -1 0 362.842 2.591 20 30 FFEDRM Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])nn1CCC#N ZINC001466534814 1063472335 /nfs/dbraw/zinc/47/23/35/1063472335.db2.gz AMIYQFLQPQDWCU-UHFFFAOYSA-N -1 0 372.335 2.527 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001466734119 1063539245 /nfs/dbraw/zinc/53/92/45/1063539245.db2.gz LJYNUYOQOWVQLP-CVEARBPZSA-N -1 0 355.369 2.757 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001469093050 1064089489 /nfs/dbraw/zinc/08/94/89/1064089489.db2.gz BQDKTMSGXNGHRG-CQSZACIVSA-N -1 0 373.453 2.941 20 30 FFEDRM N#Cc1nc(NC(=O)c2cc3ccccc3n2Cc2ccncc2)[n-]c1C#N ZINC001469566009 1064168915 /nfs/dbraw/zinc/16/89/15/1064168915.db2.gz HSWVQCVKTSFJIR-UHFFFAOYSA-N -1 0 367.372 2.803 20 30 FFEDRM C#CCSCC[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001474989621 1065664679 /nfs/dbraw/zinc/66/46/79/1065664679.db2.gz KXBGCLXRDHYKAG-UHFFFAOYSA-N -1 0 374.281 2.840 20 30 FFEDRM C=C(C)CO[N-]C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC001557326737 1075839578 /nfs/dbraw/zinc/83/95/78/1075839578.db2.gz XFOKZISIVUXRFQ-UHFFFAOYSA-N -1 0 355.419 2.749 20 30 FFEDRM N#Cc1ccc(C(=O)Nc2ccc(-n3[n-]c(C4CC4)cc3=O)nc2)s1 ZINC001557586967 1075863949 /nfs/dbraw/zinc/86/39/49/1075863949.db2.gz NEJYXSIIJZEWLE-UHFFFAOYSA-N -1 0 351.391 2.770 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]Oc1cccc(C#N)c1 ZINC001557923348 1075912763 /nfs/dbraw/zinc/91/27/63/1075912763.db2.gz ZNUYRKRGBVYHQE-OAHLLOKOSA-N -1 0 358.398 2.555 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC001558593048 1076041840 /nfs/dbraw/zinc/04/18/40/1076041840.db2.gz QZFZGMSXXFIWKX-HBUWYVDXSA-N -1 0 351.406 2.958 20 30 FFEDRM Cc1ccc(-c2cnc(NC(=O)N[C@@H]3CCCN(O)C3=O)s2)c(C)c1 ZINC001562761726 1076515240 /nfs/dbraw/zinc/51/52/40/1076515240.db2.gz MPAMMEOZJAANDJ-CYBMUJFWSA-N -1 0 360.439 2.929 20 30 FFEDRM COC(=O)CSCc1cccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1 ZINC001565601471 1076744593 /nfs/dbraw/zinc/74/45/93/1076744593.db2.gz RBBASHBQACORPU-UHFFFAOYSA-N -1 0 371.418 2.626 20 30 FFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001567332530 1077016344 /nfs/dbraw/zinc/01/63/44/1077016344.db2.gz NAPVXTAPHBCWRX-UHFFFAOYSA-N -1 0 361.361 2.526 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(O)c2F)C1=O ZINC001568440284 1077091690 /nfs/dbraw/zinc/09/16/90/1077091690.db2.gz RDDVKBIRZRHNOW-SFHVURJKSA-N -1 0 365.405 2.847 20 30 FFEDRM C#CCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)cc1 ZINC001573302492 1077663851 /nfs/dbraw/zinc/66/38/51/1077663851.db2.gz WZIWMYJEYJJXMP-SFHVURJKSA-N -1 0 369.348 2.720 20 30 FFEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)Cn2ccc(C(=O)[O-])n2)c1 ZINC001573313428 1077667674 /nfs/dbraw/zinc/66/76/74/1077667674.db2.gz IGTQGOFCHZCDBJ-UHFFFAOYSA-N -1 0 365.414 2.858 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001573317181 1077669084 /nfs/dbraw/zinc/66/90/84/1077669084.db2.gz COLKQAUZAWATTK-MRXNPFEDSA-N -1 0 364.829 2.537 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(-c2nccn2CCCC)c1 ZINC001573318535 1077669560 /nfs/dbraw/zinc/66/95/60/1077669560.db2.gz XGVXFIROVGJJGI-UHFFFAOYSA-N -1 0 354.410 2.902 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)C(=O)[O-] ZINC001573319788 1077669577 /nfs/dbraw/zinc/66/95/77/1077669577.db2.gz AQTLAVWEJRLTAU-HZPDHXFCSA-N -1 0 374.437 2.569 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC001573336847 1077673665 /nfs/dbraw/zinc/67/36/65/1077673665.db2.gz HLSPRMYTKXXNAN-UHFFFAOYSA-N -1 0 352.390 2.976 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC001573356654 1077680819 /nfs/dbraw/zinc/68/08/19/1077680819.db2.gz FNTLYOLRWRZTKG-CYBMUJFWSA-N -1 0 372.343 2.656 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC001573362531 1077683128 /nfs/dbraw/zinc/68/31/28/1077683128.db2.gz DALAGQJZOMYTAP-WPTTZPOMSA-N -1 0 365.227 2.973 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001573362768 1077683180 /nfs/dbraw/zinc/68/31/80/1077683180.db2.gz FIADMGNRXVPMJF-CQSZACIVSA-N -1 0 350.172 2.873 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCOC[C@H]1CCCO1 ZINC001573377877 1077687092 /nfs/dbraw/zinc/68/70/92/1077687092.db2.gz BAGSZNBOOAJZDM-OAHLLOKOSA-N -1 0 364.394 2.613 20 30 FFEDRM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001573384423 1077689952 /nfs/dbraw/zinc/68/99/52/1077689952.db2.gz LVJNPKOBRMRPSZ-OAHLLOKOSA-N -1 0 360.410 2.938 20 30 FFEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001573709302 1077768893 /nfs/dbraw/zinc/76/88/93/1077768893.db2.gz AEVNZLHSIUDYGD-NEPJUHHUSA-N -1 0 371.372 2.600 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C#N ZINC001573900062 1077840817 /nfs/dbraw/zinc/84/08/17/1077840817.db2.gz JYRWDTKBVDOWKB-VXGBXAGGSA-N -1 0 374.397 2.844 20 30 FFEDRM N#Cc1ccccc1NC1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001574488564 1078001529 /nfs/dbraw/zinc/00/15/29/1078001529.db2.gz BSMIZDQQCCGJLF-UHFFFAOYSA-N -1 0 373.478 2.559 20 30 FFEDRM C#C[C@@H](C)N(C)C(=O)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001588368810 1079995260 /nfs/dbraw/zinc/99/52/60/1079995260.db2.gz SPKJSZQLWPWXOI-GFCCVEGCSA-N -1 0 370.430 2.840 20 30 FFEDRM C#C[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001588371923 1079995456 /nfs/dbraw/zinc/99/54/56/1079995456.db2.gz AEJJCKRNPDMIRL-KRWDZBQOSA-N -1 0 352.390 2.610 20 30 FFEDRM C#C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Br)cc1 ZINC001588373134 1079996442 /nfs/dbraw/zinc/99/64/42/1079996442.db2.gz AIOILKVNRLCKTK-SCRDCRAPSA-N -1 0 350.212 2.741 20 30 FFEDRM C#C[C@@H](NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001588374182 1079997335 /nfs/dbraw/zinc/99/73/35/1079997335.db2.gz QARZNQUAZRQHBF-CYBMUJFWSA-N -1 0 360.801 2.852 20 30 FFEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001588375962 1079998007 /nfs/dbraw/zinc/99/80/07/1079998007.db2.gz AHHBCQYSQBBDIE-CQSZACIVSA-N -1 0 367.785 2.830 20 30 FFEDRM C#C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)C1 ZINC001588382566 1080000558 /nfs/dbraw/zinc/00/05/58/1080000558.db2.gz CSAMMJQZQCSESE-LLVKDONJSA-N -1 0 352.337 2.906 20 30 FFEDRM C#CCC(C)(C)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1Cc1cccs1 ZINC001588390372 1080002647 /nfs/dbraw/zinc/00/26/47/1080002647.db2.gz SQBTWGAYUOBSJI-UKRRQHHQSA-N -1 0 372.494 2.846 20 30 FFEDRM C=C(C)[C@@H](CC(=O)N[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)OCC ZINC001588402718 1080010439 /nfs/dbraw/zinc/01/04/39/1080010439.db2.gz KWLXSPLMZMQWHB-DLBZAZTESA-N -1 0 355.442 2.732 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001588408521 1080011516 /nfs/dbraw/zinc/01/15/16/1080011516.db2.gz QSAZUHCIKQENEP-LBPRGKRZSA-N -1 0 356.344 2.928 20 30 FFEDRM C#CC[C@@H](NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588406265 1080012254 /nfs/dbraw/zinc/01/22/54/1080012254.db2.gz ZWYIUZFSEYMWAC-OAHLLOKOSA-N -1 0 360.410 2.559 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cnn(-c2cccc(C)c2)c1CCC ZINC001588412653 1080014908 /nfs/dbraw/zinc/01/49/08/1080014908.db2.gz HFWKHRXQVNEITM-UHFFFAOYSA-N -1 0 354.410 2.685 20 30 FFEDRM C#CC[C@H](NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC001588413924 1080017582 /nfs/dbraw/zinc/01/75/82/1080017582.db2.gz DOSWLYFSFVFUBP-INIZCTEOSA-N -1 0 365.389 2.845 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1SCCCC ZINC001588416029 1080018572 /nfs/dbraw/zinc/01/85/72/1080018572.db2.gz FPLGBOCQJIGISI-UHFFFAOYSA-N -1 0 350.396 2.647 20 30 FFEDRM C#CCN(CC(=O)[O-])CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001588420280 1080022614 /nfs/dbraw/zinc/02/26/14/1080022614.db2.gz UAKNNWOCFODRGV-UHFFFAOYSA-N -1 0 371.462 2.694 20 30 FFEDRM C#CCOc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588433391 1080025053 /nfs/dbraw/zinc/02/50/53/1080025053.db2.gz LWKZTZXHQPEYMI-MOPGFXCFSA-N -1 0 364.401 2.811 20 30 FFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588442623 1080028124 /nfs/dbraw/zinc/02/81/24/1080028124.db2.gz TWPUKZJIIWQYRH-SNVBAGLBSA-N -1 0 357.204 2.596 20 30 FFEDRM C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588447703 1080030075 /nfs/dbraw/zinc/03/00/75/1080030075.db2.gz OLOXMEOGRPVPJX-UHFFFAOYSA-N -1 0 363.421 2.531 20 30 FFEDRM C#CCCOc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588455126 1080032642 /nfs/dbraw/zinc/03/26/42/1080032642.db2.gz DOJFCWOJZVMRSU-UHFFFAOYSA-N -1 0 353.374 2.829 20 30 FFEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC001588455217 1080032860 /nfs/dbraw/zinc/03/28/60/1080032860.db2.gz HPHOSWMRJNRLQS-KRWDZBQOSA-N -1 0 359.328 2.923 20 30 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370.430 2.630 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000547912326 516630721 /nfs/dbraw/zinc/63/07/21/516630721.db2.gz PPKKXCRPJDGSSP-HNNXBMFYSA-N -1 0 364.810 2.706 20 30 FFEDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547932352 516639315 /nfs/dbraw/zinc/63/93/15/516639315.db2.gz ANKJVUCJKQZJHC-WDEREUQCSA-N -1 0 358.847 2.769 20 30 FFEDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000547932801 516639708 /nfs/dbraw/zinc/63/97/08/516639708.db2.gz JHYORYNCUFZZCP-GHMZBOCLSA-N -1 0 358.847 2.769 20 30 FFEDRM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000561560378 516653405 /nfs/dbraw/zinc/65/34/05/516653405.db2.gz BSOXVHGHMAOYSG-GLEZIHRCSA-N -1 0 368.336 2.776 20 30 FFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000531907460 516706664 /nfs/dbraw/zinc/70/66/64/516706664.db2.gz NEMSWQAGABEARC-UHFFFAOYSA-N -1 0 370.203 2.850 20 30 FFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 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ZINC000532830399 517161948 /nfs/dbraw/zinc/16/19/48/517161948.db2.gz NICUEALFZJQNKC-NWDGAFQWSA-N -1 0 363.464 2.886 20 30 FFEDRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Br)c2C#N)[nH]n1 ZINC000519797082 517185180 /nfs/dbraw/zinc/18/51/80/517185180.db2.gz YNHLYCBKRNKARQ-UHFFFAOYSA-N -1 0 369.244 2.968 20 30 FFEDRM Cc1cn(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)c2)c(=O)[nH]1 ZINC000526038985 517308833 /nfs/dbraw/zinc/30/88/33/517308833.db2.gz VUHLEJZZERIHPO-UHFFFAOYSA-N -1 0 372.381 2.698 20 30 FFEDRM C=CCc1cc(CNC(=O)N(CC(=O)[O-])[C@@H](C)CC)cc(OC)c1OC ZINC000515371360 517323307 /nfs/dbraw/zinc/32/33/07/517323307.db2.gz NVWZCAIFTSXKHM-ZDUSSCGKSA-N -1 0 364.442 2.827 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000520746428 517497843 /nfs/dbraw/zinc/49/78/43/517497843.db2.gz HAZLGMLGFPRIPF-GLQYFDAESA-N -1 0 370.808 2.885 20 30 FFEDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2cncc(C#N)c2)o1)c1ccccc1 ZINC000515931533 517515229 /nfs/dbraw/zinc/51/52/29/517515229.db2.gz JJQAVWTYDUEYRZ-OAHLLOKOSA-N -1 0 369.406 2.679 20 30 FFEDRM C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC ZINC000562941780 517518426 /nfs/dbraw/zinc/51/84/26/517518426.db2.gz OMGWIVGDWQQNTJ-WBMJQRKESA-N -1 0 350.415 2.874 20 30 FFEDRM COc1ccc(Cn2cc([N-]S(=O)(=O)c3ccc(C#N)s3)cn2)cc1 ZINC000560012574 517533019 /nfs/dbraw/zinc/53/30/19/517533019.db2.gz RGMKFADQXVZEFU-UHFFFAOYSA-N -1 0 374.447 2.674 20 30 FFEDRM C=CCOC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000556709284 517590929 /nfs/dbraw/zinc/59/09/29/517590929.db2.gz ODIYBCAEGQSWGO-RCCFBDPRSA-N -1 0 354.406 2.651 20 30 FFEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])c2O1 ZINC000530381950 517740691 /nfs/dbraw/zinc/74/06/91/517740691.db2.gz OTZSALRDIJCILE-UHFFFAOYSA-N -1 0 373.390 2.981 20 30 FFEDRM CC1(C)CC[C@](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)(C(=O)[O-])C1 ZINC000560422169 517788302 /nfs/dbraw/zinc/78/83/02/517788302.db2.gz OZKHYLLRUSHXBI-OAHLLOKOSA-N -1 0 356.831 2.523 20 30 FFEDRM C=CCC[C@H](NC(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2)C(=O)[O-] ZINC000516851528 517869994 /nfs/dbraw/zinc/86/99/94/517869994.db2.gz KPTPLDGVIHHRAK-DOMZBBRYSA-N -1 0 362.426 2.627 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1C#N ZINC000557206435 517918266 /nfs/dbraw/zinc/91/82/66/517918266.db2.gz QXMUEZXENKVKQS-UHFFFAOYSA-N -1 0 350.403 2.672 20 30 FFEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000560598202 517920598 /nfs/dbraw/zinc/92/05/98/517920598.db2.gz CKRVRLMCDZDOHG-UHFFFAOYSA-N -1 0 364.810 2.963 20 30 FFEDRM C=CCOc1ccccc1CNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000546961133 517935518 /nfs/dbraw/zinc/93/55/18/517935518.db2.gz ZKPZDKAQKAUXGP-UHFFFAOYSA-N -1 0 365.407 2.638 20 30 FFEDRM COc1cccnc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000530774506 517972659 /nfs/dbraw/zinc/97/26/59/517972659.db2.gz YQLZVVZXMCXFPS-UHFFFAOYSA-N -1 0 368.212 2.525 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1C#N ZINC000557375335 517979257 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ZINC000740052800 602277931 /nfs/dbraw/zinc/27/79/31/602277931.db2.gz FHFOOOJBKUTKGT-INIZCTEOSA-N -1 0 366.421 2.696 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832876788 602282272 /nfs/dbraw/zinc/28/22/72/602282272.db2.gz OXHAMNPYBRAOAM-GJZGRUSLSA-N -1 0 360.410 2.593 20 30 FFEDRM C=CCc1cc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc(OC)c1OC ZINC000825705448 602373372 /nfs/dbraw/zinc/37/33/72/602373372.db2.gz ILWHCKWYLKFFAF-UHFFFAOYSA-N -1 0 373.409 2.791 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN2CCC([C@H](C)NC(=O)[O-])CC2)c1=S ZINC000738504264 602425317 /nfs/dbraw/zinc/42/53/17/602425317.db2.gz YUSNGZYIVALYRK-LBPRGKRZSA-N -1 0 365.503 2.803 20 30 FFEDRM N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740323606 602461635 /nfs/dbraw/zinc/46/16/35/602461635.db2.gz QUCBJTXSZCMVLV-INIZCTEOSA-N -1 0 359.426 2.614 20 30 FFEDRM N#Cc1ccc(Oc2ccc(C(=O)NCCN(C(=O)[O-])C3CC3)cc2)nc1 ZINC000740322035 602461895 /nfs/dbraw/zinc/46/18/95/602461895.db2.gz 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C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000738490258 602626181 /nfs/dbraw/zinc/62/61/81/602626181.db2.gz PCASZZGAVBFNRA-IBGZPJMESA-N -1 0 363.417 2.952 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)N(CCC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738505675 602636840 /nfs/dbraw/zinc/63/68/40/602636840.db2.gz PYZSEGGQOUYWBU-MRXNPFEDSA-N -1 0 361.442 2.925 20 30 FFEDRM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000738619168 602648473 /nfs/dbraw/zinc/64/84/73/602648473.db2.gz LNPXUZQBPNJRAC-XOBRGWDASA-N -1 0 372.469 2.650 20 30 FFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000738864975 602700277 /nfs/dbraw/zinc/70/02/77/602700277.db2.gz WZRBLZSXWALVJE-UHFFFAOYSA-N -1 0 360.395 2.822 20 30 FFEDRM C=CCc1cc(CNC(=O)C[C@@H]2CCCN2C(=O)[O-])cc(OC)c1OC ZINC000823522196 602775215 /nfs/dbraw/zinc/77/52/15/602775215.db2.gz VWYCQLDBMHFFIU-HNNXBMFYSA-N -1 0 362.426 2.581 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c1=S ZINC000738503300 602809722 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ZINC000831126621 603797597 /nfs/dbraw/zinc/79/75/97/603797597.db2.gz MFYCSVPZRSXOSM-ZYHUDNBSSA-N -1 0 354.309 2.639 20 30 FFEDRM O=C([O-])N1CCC(C=NN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000831869046 603856518 /nfs/dbraw/zinc/85/65/18/603856518.db2.gz GZVHKCTVWBYFIM-UHFFFAOYSA-N -1 0 351.362 2.812 20 30 FFEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000831091533 603867644 /nfs/dbraw/zinc/86/76/44/603867644.db2.gz HDRPYRLJWLQBNT-MRXNPFEDSA-N -1 0 370.796 2.730 20 30 FFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823450946 603882879 /nfs/dbraw/zinc/88/28/79/603882879.db2.gz LBIDULFSKPJNNH-ALOPSCKCSA-N -1 0 359.401 2.644 20 30 FFEDRM Cc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1NC(=O)[O-] ZINC000830238776 603953385 /nfs/dbraw/zinc/95/33/85/603953385.db2.gz UMJPRJVFDOONCA-UHFFFAOYSA-N -1 0 353.334 2.752 20 30 FFEDRM Cc1sc(NC(=O)CN(C)CC[C@@H](NC(=O)[O-])C(C)C)c(C#N)c1C ZINC000830957878 603971488 /nfs/dbraw/zinc/97/14/88/603971488.db2.gz TUANHSBXQPTLBE-CQSZACIVSA-N -1 0 366.487 2.789 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000823511076 604077131 /nfs/dbraw/zinc/07/71/31/604077131.db2.gz OYPCUEOHTBKRAO-DZGCQCFKSA-N -1 0 374.441 2.502 20 30 FFEDRM C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000824840948 604161863 /nfs/dbraw/zinc/16/18/63/604161863.db2.gz OEZGGCUGXOZTIZ-SKDRFNHKSA-N -1 0 359.304 2.512 20 30 FFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827595071 604220979 /nfs/dbraw/zinc/22/09/79/604220979.db2.gz LJEDAWBZEPWTGV-HRCADAONSA-N -1 0 371.437 2.895 20 30 FFEDRM N#C[C@@H](C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])C(=O)Nc1ccccc1 ZINC000831064263 604223161 /nfs/dbraw/zinc/22/31/61/604223161.db2.gz DOSRFCJLOVDCSE-SJORKVTESA-N -1 0 365.389 2.603 20 30 FFEDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000825201885 604293868 /nfs/dbraw/zinc/29/38/68/604293868.db2.gz LLTYOAPPQRMHER-ZFWWWQNUSA-N -1 0 359.426 2.610 20 30 FFEDRM C[C@@H](NC(=O)[O-])c1ccc(CNc2ncnc3c2cnn3CCC#N)cc1 ZINC000825401368 604347872 /nfs/dbraw/zinc/34/78/72/604347872.db2.gz CPRUQGOABAGFIF-GFCCVEGCSA-N -1 0 365.397 2.681 20 30 FFEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000831070106 604447678 /nfs/dbraw/zinc/44/76/78/604447678.db2.gz DUHJQFMCSBCDFS-KRWDZBQOSA-N -1 0 350.378 2.826 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825612345 604449659 /nfs/dbraw/zinc/44/96/59/604449659.db2.gz RSOMVBCBPAOQBD-UONOGXRCSA-N -1 0 367.405 2.971 20 30 FFEDRM COc1cccc([C@@H]2CN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CCO2)c1 ZINC000832540161 604507265 /nfs/dbraw/zinc/50/72/65/604507265.db2.gz LPGJVUBIXRGZBP-OALUTQOASA-N -1 0 352.390 2.766 20 30 FFEDRM N#Cc1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cccc1C(=O)[O-] ZINC000833760771 604547055 /nfs/dbraw/zinc/54/70/55/604547055.db2.gz CJTZVPOCTWFXKB-UHFFFAOYSA-N -1 0 373.294 2.977 20 30 FFEDRM CC(=O)N1CCc2cc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)ccc21 ZINC000833391588 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Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001122625369 1023375087 /nfs/dbraw/zinc/37/50/87/1023375087.db2.gz RVTRXXLWLDTKSP-AWEZNQCLSA-N -1 0 371.404 2.670 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001122630800 1023380088 /nfs/dbraw/zinc/38/00/88/1023380088.db2.gz DRBLRQAVJNAOHQ-OAHLLOKOSA-N -1 0 374.489 2.837 20 30 FFEDRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC(C)(C)C#N)c1 ZINC000779227445 1023401555 /nfs/dbraw/zinc/40/15/55/1023401555.db2.gz MMPYCZNASRNVLM-UHFFFAOYSA-N -1 0 374.418 2.955 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C#N ZINC000755592008 1023612518 /nfs/dbraw/zinc/61/25/18/1023612518.db2.gz FDIVERHICBHRMD-UHFFFAOYSA-N -1 0 370.321 2.993 20 30 FFEDRM COc1cc(CN=Nc2nc(-c3ccccc3)no2)ccc1OCC(=O)[O-] ZINC000755683538 1023624636 /nfs/dbraw/zinc/62/46/36/1023624636.db2.gz RWFFYTLUYOQZHS-UHFFFAOYSA-N -1 0 368.349 2.655 20 30 FFEDRM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)c(OC)c1OC ZINC000756901672 1023765966 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FFEDRM O=C([O-])c1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000739380737 600545256 /nfs/dbraw/zinc/54/52/56/600545256.db2.gz JIGQDQLBWUVFNN-UHFFFAOYSA-N -1 0 366.295 2.848 20 30 FFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000739103882 600567678 /nfs/dbraw/zinc/56/76/78/600567678.db2.gz CZIYKKVPJYHBDU-IBGZPJMESA-N -1 0 364.380 2.517 20 30 FFEDRM CCC(=O)c1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736848242 600603612 /nfs/dbraw/zinc/60/36/12/600603612.db2.gz IJHDFXYHVLXWSE-LJQANCHMSA-N -1 0 367.357 2.899 20 30 FFEDRM COc1cc(N)c(Cl)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737891451 600604105 /nfs/dbraw/zinc/60/41/05/600604105.db2.gz HNLONDLWGKCJPJ-HNNXBMFYSA-N -1 0 360.753 2.785 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)c2cncc(Br)c2)C(=O)[O-])cc1 ZINC000739117186 600605605 /nfs/dbraw/zinc/60/56/05/600605605.db2.gz JOXUUQNFIQQRKT-ZDUSSCGKSA-N -1 0 361.151 2.698 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)c2cnn(Cc3ccccc3)c2)C(=O)[O-])cc1 ZINC000739116896 600607524 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ZINC000826031288 601172211 /nfs/dbraw/zinc/17/22/11/601172211.db2.gz KUEYPQVFBCPEMR-IFXJQAMLSA-N -1 0 352.390 2.710 20 30 FFEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000825705446 601215111 /nfs/dbraw/zinc/21/51/11/601215111.db2.gz IJHYGOATKCRADU-UHFFFAOYSA-N -1 0 367.335 2.691 20 30 FFEDRM C#CCOc1ccc(F)cc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825632180 601265782 /nfs/dbraw/zinc/26/57/82/601265782.db2.gz UJFUGIGSRMFUCE-CYBMUJFWSA-N -1 0 374.393 2.815 20 30 FFEDRM CN(Cc1ccc(N[C@H]2CCN(c3sccc3C#N)C2=O)cc1)C(=O)[O-] ZINC000830836120 601266269 /nfs/dbraw/zinc/26/62/69/601266269.db2.gz QSLJPMMYRGKQKI-HNNXBMFYSA-N -1 0 370.434 2.947 20 30 FFEDRM N#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC000833064066 601282080 /nfs/dbraw/zinc/28/20/80/601282080.db2.gz DOWFWPQRUMLKAN-ZDUSSCGKSA-N -1 0 360.167 2.537 20 30 FFEDRM CCc1ccccc1NC(=O)CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830276840 601309046 /nfs/dbraw/zinc/30/90/46/601309046.db2.gz TXWUTBDJXPPZNL-LJQANCHMSA-N 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ZINC000833075404 601352124 /nfs/dbraw/zinc/35/21/24/601352124.db2.gz BAKFKQYLNNDLEK-CYBMUJFWSA-N -1 0 361.151 2.698 20 30 FFEDRM N#CC1(NC(=O)CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])CCCCC1 ZINC000833064678 601433313 /nfs/dbraw/zinc/43/33/13/601433313.db2.gz MMYFVKGCVXQGAF-IAGOWNOFSA-N -1 0 361.486 2.684 20 30 FFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000828493311 601537321 /nfs/dbraw/zinc/53/73/21/601537321.db2.gz BKYOYZHXYOPGJJ-GFCCVEGCSA-N -1 0 355.419 2.669 20 30 FFEDRM C=CC[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)c1ccncc1 ZINC000825664858 601578099 /nfs/dbraw/zinc/57/80/99/601578099.db2.gz OKLNWNDMGDAJPA-AWEZNQCLSA-N -1 0 368.361 2.654 20 30 FFEDRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1N ZINC000827048571 601590842 /nfs/dbraw/zinc/59/08/42/601590842.db2.gz QZIOLUVKFGUMIW-QGZVFWFLSA-N -1 0 354.362 2.910 20 30 FFEDRM N#Cc1ccc(OCc2cccc(C(=O)N[C@H](C(=O)[O-])C3CC3)c2)cc1 ZINC000833072455 601595267 /nfs/dbraw/zinc/59/52/67/601595267.db2.gz ZCEAMFXMQQEDHN-SFHVURJKSA-N -1 0 350.374 2.730 20 30 FFEDRM Cc1sc(C(=O)[O-])cc1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000833032958 601614707 /nfs/dbraw/zinc/61/47/07/601614707.db2.gz QUQSNHQTSUMSDL-UHFFFAOYSA-N -1 0 355.463 2.944 20 30 FFEDRM N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)nc1 ZINC000738434725 601626854 /nfs/dbraw/zinc/62/68/54/601626854.db2.gz MQWWWFZIRJXXAO-MRXNPFEDSA-N -1 0 351.362 2.825 20 30 FFEDRM N#C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CCN1Cc1ccccc1 ZINC000833061402 601640158 /nfs/dbraw/zinc/64/01/58/601640158.db2.gz AYUPOBZRGWBAJC-QGZVFWFLSA-N -1 0 353.397 2.734 20 30 FFEDRM N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833075273 601659426 /nfs/dbraw/zinc/65/94/26/601659426.db2.gz PMLQMJBUVUAXAN-FQEVSTJZSA-N -1 0 368.364 2.776 20 30 FFEDRM CCOc1ccc(C[C@@H](CNC(=O)c2cc(C#N)cs2)C(=O)[O-])cc1 ZINC000830071505 601678744 /nfs/dbraw/zinc/67/87/44/601678744.db2.gz ZAEMPRNADWDYGA-AWEZNQCLSA-N -1 0 358.419 2.692 20 30 FFEDRM C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1C(=O)[O-] ZINC000828403320 601709584 /nfs/dbraw/zinc/70/95/84/601709584.db2.gz UBJQSXVLLXUEQL-KUHUBIRLSA-N -1 0 364.401 2.930 20 30 FFEDRM C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1C(=O)[O-] ZINC000828393319 601712194 /nfs/dbraw/zinc/71/21/94/601712194.db2.gz HRAUHBVGHSVBDN-BLLLJJGKSA-N -1 0 354.362 2.523 20 30 FFEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000833065264 601829564 /nfs/dbraw/zinc/82/95/64/601829564.db2.gz WLWHEMKWFZHKNT-LJQANCHMSA-N -1 0 353.397 2.906 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000192984462 601834234 /nfs/dbraw/zinc/83/42/34/601834234.db2.gz OKAVYOYHTVIVKE-UHFFFAOYSA-N -1 0 364.810 2.731 20 30 FFEDRM CC[C@H](C#N)OC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000828585969 601843623 /nfs/dbraw/zinc/84/36/23/601843623.db2.gz BPFIESBINPNYQI-MRXNPFEDSA-N -1 0 355.394 2.965 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)cc1OC ZINC000738506110 601906413 /nfs/dbraw/zinc/90/64/13/601906413.db2.gz YUSOBCJHABIAKG-YHWKNFMLSA-N -1 0 374.437 2.874 20 30 FFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@H](CNC(=O)[O-])C1 ZINC000740322113 601919999 /nfs/dbraw/zinc/91/99/99/601919999.db2.gz OVBNLOVBOOCZRP-SNVBAGLBSA-N -1 0 362.336 2.802 20 30 FFEDRM CN(C(=O)c1ccc(C#N)s1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830524421 602018835 /nfs/dbraw/zinc/01/88/35/602018835.db2.gz YBMSPNDCZMACNX-ZDUSSCGKSA-N -1 0 354.309 2.935 20 30 FFEDRM CC1CC(C#N)(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)C1 ZINC000828156638 602034586 /nfs/dbraw/zinc/03/45/86/602034586.db2.gz PDZLSJUADNOIAV-WGAFOPHPSA-N -1 0 369.421 2.644 20 30 FFEDRM COc1ccc(NC(=S)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794864447 602067267 /nfs/dbraw/zinc/06/72/67/602067267.db2.gz AWEUQLLFOHBXCD-LBPRGKRZSA-N -1 0 373.434 2.868 20 30 FFEDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000740405148 602075170 /nfs/dbraw/zinc/07/51/70/602075170.db2.gz TUXNCSXUSCQNPF-ZWKOTPCHSA-N -1 0 355.438 2.602 20 30 FFEDRM C=CCCS(=O)(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000825675729 602207461 /nfs/dbraw/zinc/20/74/61/602207461.db2.gz BLGXWEAJCKWLCC-UHFFFAOYSA-N -1 0 366.266 2.828 20 30 FFEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCN(C(=O)[O-])CC3)c2)cc1 ZINC000738435428 602295637 /nfs/dbraw/zinc/29/56/37/602295637.db2.gz WYSNQNCPRWOZHY-UHFFFAOYSA-N -1 0 351.362 2.786 20 30 FFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738801443 602365697 /nfs/dbraw/zinc/36/56/97/602365697.db2.gz UBLYSZNJOURHSB-GOSISDBHSA-N -1 0 373.453 2.810 20 30 FFEDRM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000739022693 602446849 /nfs/dbraw/zinc/44/68/49/602446849.db2.gz DTBGJHKBWNAGPP-LLVKDONJSA-N -1 0 364.833 2.518 20 30 FFEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)c2)cc1 ZINC000740321866 602468913 /nfs/dbraw/zinc/46/89/13/602468913.db2.gz VKBASTGARMNMCW-OAHLLOKOSA-N -1 0 351.362 2.833 20 30 FFEDRM CN(C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1)C(=O)[O-] ZINC000739649820 602497642 /nfs/dbraw/zinc/49/76/42/602497642.db2.gz HICYHXYPDAACHB-INIZCTEOSA-N -1 0 359.426 2.566 20 30 FFEDRM COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739978792 602565787 /nfs/dbraw/zinc/56/57/87/602565787.db2.gz QBKPXYFMWIKDTH-LLVKDONJSA-N -1 0 371.324 2.885 20 30 FFEDRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000739584289 602596466 /nfs/dbraw/zinc/59/64/66/602596466.db2.gz KITSMFWXAJJAAF-NSHDSACASA-N -1 0 368.340 2.766 20 30 FFEDRM CN(CC(=O)[C@@H](C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)[O-] ZINC000739618301 602622940 /nfs/dbraw/zinc/62/29/40/602622940.db2.gz ZLMGHBFITVHSSE-MRVPVSSYSA-N -1 0 351.334 2.874 20 30 FFEDRM N#CCOc1ccc(CNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)cc1 ZINC000740305305 602628376 /nfs/dbraw/zinc/62/83/76/602628376.db2.gz KWBALZMULLHJCL-QGZVFWFLSA-N -1 0 374.441 2.605 20 30 FFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738801468 602743557 /nfs/dbraw/zinc/74/35/57/602743557.db2.gz UQDIWGXUSMKRGQ-RHSMWYFYSA-N -1 0 360.410 2.895 20 30 FFEDRM CC(C)N(CCC(=O)N[C@H](C#N)c1ccccc1Br)C(=O)[O-] ZINC000738840093 602850869 /nfs/dbraw/zinc/85/08/69/602850869.db2.gz UFKQCFLHJMTPCI-CYBMUJFWSA-N -1 0 368.231 2.908 20 30 FFEDRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000739313718 602850913 /nfs/dbraw/zinc/85/09/13/602850913.db2.gz SLRKBNBDJJILFH-RYUDHWBXSA-N -1 0 354.204 2.566 20 30 FFEDRM N#C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000831070380 602899850 /nfs/dbraw/zinc/89/98/50/602899850.db2.gz JWFNYGUJWZVOCK-STQMWFEESA-N -1 0 355.316 2.919 20 30 FFEDRM C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[C@H]1NC(=O)[O-] ZINC000739150606 602919322 /nfs/dbraw/zinc/91/93/22/602919322.db2.gz XMLGANVMBOZABO-MWLCHTKSSA-N -1 0 368.340 2.670 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739209466 603038718 /nfs/dbraw/zinc/03/87/18/603038718.db2.gz ONXGBKHLOJIRRZ-HOTGVXAUSA-N -1 0 374.441 2.557 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1 ZINC000739207064 603039002 /nfs/dbraw/zinc/03/90/02/603039002.db2.gz AABQPJVKBZVAIH-CVEARBPZSA-N -1 0 374.441 2.699 20 30 FFEDRM N#C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000738421137 603104308 /nfs/dbraw/zinc/10/43/08/603104308.db2.gz BFKVHUIBKLYVAF-GOSISDBHSA-N -1 0 364.405 2.627 20 30 FFEDRM COC(=O)[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000737575941 603111162 /nfs/dbraw/zinc/11/11/62/603111162.db2.gz CJPVDRBRKCEILH-OAHLLOKOSA-N -1 0 354.318 2.719 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738490215 603150383 /nfs/dbraw/zinc/15/03/83/603150383.db2.gz ODNXQOAVIWRTFB-UHFFFAOYSA-N -1 0 356.426 2.835 20 30 FFEDRM C=CCn1c(=O)c2c3c(sc2nc1SCCNC(=O)[O-])CCCC3 ZINC000738502963 603161027 /nfs/dbraw/zinc/16/10/27/603161027.db2.gz KJJYMNHKSVKEPT-UHFFFAOYSA-N -1 0 365.480 2.883 20 30 FFEDRM Cc1nc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)sc1SCC#N ZINC000740223983 603171960 /nfs/dbraw/zinc/17/19/60/603171960.db2.gz WXGMHMKBPJAZIZ-UWVGGRQHSA-N -1 0 354.457 2.832 20 30 FFEDRM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739037718 603244478 /nfs/dbraw/zinc/24/44/78/603244478.db2.gz SEXNRDYHMDCGHN-DJJJIMSYSA-N -1 0 358.442 2.578 20 30 FFEDRM C#CCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000738466872 603252622 /nfs/dbraw/zinc/25/26/22/603252622.db2.gz HPZXUXXDLDXBKU-WMZOPIPTSA-N -1 0 356.422 2.693 20 30 FFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000823462613 603349802 /nfs/dbraw/zinc/34/98/02/603349802.db2.gz FAWPBSXDTATERO-UHFFFAOYSA-N -1 0 363.389 2.691 20 30 FFEDRM C=CCc1cc(C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc(OC)c1OC ZINC000738504317 603364384 /nfs/dbraw/zinc/36/43/84/603364384.db2.gz ZSXAFWIYNYPSQU-WFASDCNBSA-N -1 0 362.426 2.551 20 30 FFEDRM Cc1cc(C)c(C#N)c(SC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])n1 ZINC000829986254 603396709 /nfs/dbraw/zinc/39/67/09/603396709.db2.gz NLRYIUPUAPUHSM-IRXDYDNUSA-N -1 0 371.462 2.902 20 30 FFEDRM N#Cc1nnc2ccccc2c1N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740324845 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N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCCC2)c1 ZINC000194004643 729497152 /nfs/dbraw/zinc/49/71/52/729497152.db2.gz VGAYMJPMKBJMDN-UHFFFAOYSA-N -1 0 354.431 2.875 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCc2ccc(Cl)s2)c1 ZINC000195497185 729540121 /nfs/dbraw/zinc/54/01/21/729540121.db2.gz PNOSWMRJUBUVNP-UHFFFAOYSA-N -1 0 368.867 2.852 20 30 FFEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000255419559 729639662 /nfs/dbraw/zinc/63/96/62/729639662.db2.gz SCFGUAJUXYWBON-UHFFFAOYSA-N -1 0 366.826 2.747 20 30 FFEDRM COC(=O)C/N=C\c1cc(Br)cc(Br)c1[O-] ZINC000255519469 729642326 /nfs/dbraw/zinc/64/23/26/729642326.db2.gz IKYQHIHWGSALPP-PQMHYQBVSA-N -1 0 350.994 2.509 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000263019143 729676810 /nfs/dbraw/zinc/67/68/10/729676810.db2.gz NREQGAUJJGQXSG-NSHDSACASA-N -1 0 351.708 2.744 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1sc2cccc(F)c2c1COC)C(=O)[O-] ZINC000263036016 729677117 /nfs/dbraw/zinc/67/71/17/729677117.db2.gz 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C=CCC[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC000654800009 731396647 /nfs/dbraw/zinc/39/66/47/731396647.db2.gz GULJBFQLJQWDTM-BBRMVZONSA-N -1 0 365.861 2.885 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)OCC ZINC000870032396 731464918 /nfs/dbraw/zinc/46/49/18/731464918.db2.gz JEWMXFYMTIRLLK-NSHDSACASA-N -1 0 350.173 2.989 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1nc(C(C)(C)C)cs1 ZINC000870134643 731473114 /nfs/dbraw/zinc/47/31/14/731473114.db2.gz RDAZTNRNEPQCRB-LBPRGKRZSA-N -1 0 351.472 2.694 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]23C[C@@H]2CCCC3)c(C(F)(F)F)c1 ZINC000870170403 731479063 /nfs/dbraw/zinc/47/90/63/731479063.db2.gz WXEORLYAQMXSDM-NHYWBVRUSA-N -1 0 372.368 2.962 20 30 FFEDRM Cc1nn(-c2cccnc2)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000870443834 731515448 /nfs/dbraw/zinc/51/54/48/731515448.db2.gz BIVKGESCAIVVEJ-ZDUSSCGKSA-N -1 0 350.407 2.795 20 30 FFEDRM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000775384127 738089118 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ZINC000782206234 738698111 /nfs/dbraw/zinc/69/81/11/738698111.db2.gz JDQAKMHBZDJJRQ-ARJAWSKDSA-N -1 0 354.380 2.885 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2C[C@H]3CC[C@@H](C2)S3)n1 ZINC000885592254 733685215 /nfs/dbraw/zinc/68/52/15/733685215.db2.gz LXEHTLHKYOPYRB-WVMKXHBISA-N -1 0 350.465 2.845 20 30 FFEDRM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782722454 738751573 /nfs/dbraw/zinc/75/15/73/738751573.db2.gz KGVRHWZJPLXSNB-LLVKDONJSA-N -1 0 363.361 2.616 20 30 FFEDRM C=CCOC[C@@H](NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000684712998 734261968 /nfs/dbraw/zinc/26/19/68/734261968.db2.gz MLOREMOYJRVGAZ-GXFFZTMASA-N -1 0 360.332 2.721 20 30 FFEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(C(F)F)cc1 ZINC000726728708 734441825 /nfs/dbraw/zinc/44/18/25/734441825.db2.gz CAEJPAINBRSPRI-UHFFFAOYSA-N -1 0 350.346 2.756 20 30 FFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)c1ccccc1F ZINC000726858135 734449271 /nfs/dbraw/zinc/44/92/71/734449271.db2.gz AFYAKCHABLTXGQ-ZDUSSCGKSA-N -1 0 360.410 2.837 20 30 FFEDRM N#CCOC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000727918903 734507545 /nfs/dbraw/zinc/50/75/45/734507545.db2.gz QBKICEAFDJQVEW-UHFFFAOYSA-N -1 0 350.783 2.821 20 30 FFEDRM Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000728762296 734542904 /nfs/dbraw/zinc/54/29/04/734542904.db2.gz CQBYHUCVLJUXBS-UHFFFAOYSA-N -1 0 356.447 2.791 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1Cl ZINC000892492978 734565488 /nfs/dbraw/zinc/56/54/88/734565488.db2.gz ZGHOBALCKZIUDD-MRVPVSSYSA-N -1 0 354.790 2.779 20 30 FFEDRM C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c1 ZINC000730996674 734661518 /nfs/dbraw/zinc/66/15/18/734661518.db2.gz XREBBCBYGMUNPX-UHFFFAOYSA-N -1 0 359.403 2.760 20 30 FFEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(F)cc1F ZINC000732044655 734713734 /nfs/dbraw/zinc/71/37/34/734713734.db2.gz FPAXQKGSJQFUHC-UHFFFAOYSA-N -1 0 366.345 2.618 20 30 FFEDRM CC(=NN=c1cc[nH]c(N(C)C)n1)c1cc(Br)cc(F)c1[O-] ZINC000783846593 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COc1ncccc1S(=O)(=O)[N-]c1cccc(Br)c1C#N ZINC001194711028 1004801292 /nfs/dbraw/zinc/80/12/92/1004801292.db2.gz FWGWBTYNKGXSGA-UHFFFAOYSA-N -1 0 368.212 2.525 20 30 FFEDRM COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC001198951197 1004805212 /nfs/dbraw/zinc/80/52/12/1004805212.db2.gz PZHBYDWQOUJCHJ-UHFFFAOYSA-N -1 0 374.418 2.771 20 30 FFEDRM CCOC(=O)c1c(C)oc([N-]S(=O)(=O)CC[Si](C)(C)C)c1C#N ZINC001195041751 1004877275 /nfs/dbraw/zinc/87/72/75/1004877275.db2.gz KQWOVDSLTGOBBX-UHFFFAOYSA-N -1 0 358.492 2.716 20 30 FFEDRM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001199317115 1004909168 /nfs/dbraw/zinc/90/91/68/1004909168.db2.gz IIUQNLIAMRZLBV-UHFFFAOYSA-N -1 0 371.740 2.930 20 30 FFEDRM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1c(C)ccc(C)c1C#N ZINC001195645095 1005007185 /nfs/dbraw/zinc/00/71/85/1005007185.db2.gz JXHDAFWVELPXBN-UHFFFAOYSA-N -1 0 359.407 2.548 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C#N)c2)cn1 ZINC001195723684 1005030249 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CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cc(N(C)C)c2)cc1 ZINC000815896998 1006829061 /nfs/dbraw/zinc/82/90/61/1006829061.db2.gz CIJOFJJNJBHOND-UHFFFAOYSA-N -1 0 371.462 2.695 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000815899057 1006831295 /nfs/dbraw/zinc/83/12/95/1006831295.db2.gz DHKXSCBHTGGTIF-HIFRSBDPSA-N -1 0 372.446 2.583 20 30 FFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009461 1006846568 /nfs/dbraw/zinc/84/65/68/1006846568.db2.gz RSQMGFFXPITVDZ-UHFFFAOYSA-N -1 0 374.166 2.795 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cc(C#N)cc(N(C)C)c2)c1 ZINC000816037185 1006869760 /nfs/dbraw/zinc/86/97/60/1006869760.db2.gz GWYIVAAMTXPSQO-LJQANCHMSA-N -1 0 360.417 2.572 20 30 FFEDRM O=C([N-]O[C@H]1CCCCO1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000134788635 1007456818 /nfs/dbraw/zinc/45/68/18/1007456818.db2.gz QLMJMZXRIJBLIM-IBGZPJMESA-N -1 0 364.401 2.599 20 30 FFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C#N)c1 ZINC001190395275 1007609689 /nfs/dbraw/zinc/60/96/89/1007609689.db2.gz IJVYUUDNTZLMIU-UHFFFAOYSA-N -1 0 370.308 2.563 20 30 FFEDRM C#C[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000775383455 1007624285 /nfs/dbraw/zinc/62/42/85/1007624285.db2.gz CKBDSLCVCMKRAF-CQSZACIVSA-N -1 0 372.446 2.556 20 30 FFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)c1 ZINC001190616198 1007703939 /nfs/dbraw/zinc/70/39/39/1007703939.db2.gz KGUDASYSNZUVCN-UHFFFAOYSA-N -1 0 374.372 2.882 20 30 FFEDRM COC(=O)c1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190651156 1007734400 /nfs/dbraw/zinc/73/44/00/1007734400.db2.gz WBIVFABPULBILS-UHFFFAOYSA-N -1 0 370.308 2.563 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1-n1cccn1 ZINC000817713702 1007736371 /nfs/dbraw/zinc/73/63/71/1007736371.db2.gz FVUPEKGIJXXXQI-KRWDZBQOSA-N -1 0 350.422 2.952 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC000817872253 1007792404 /nfs/dbraw/zinc/79/24/04/1007792404.db2.gz KENNNEHJZLKYMO-IZBMSUHZSA-N -1 0 359.422 2.985 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OCC)CC1 ZINC001190815282 1007793587 /nfs/dbraw/zinc/79/35/87/1007793587.db2.gz JEDSZPDDKMYPNX-UHFFFAOYSA-N -1 0 369.439 2.731 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n(-c2cc[nH+]cc2)n1 ZINC001190942773 1007840725 /nfs/dbraw/zinc/84/07/25/1007840725.db2.gz NSGDWJGXWBASFC-UHFFFAOYSA-N -1 0 373.825 2.902 20 30 FFEDRM CCc1cnn2cc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cnc12 ZINC001190942834 1007841132 /nfs/dbraw/zinc/84/11/32/1007841132.db2.gz PKGFSYYVGHKQAB-UHFFFAOYSA-N -1 0 361.814 2.618 20 30 FFEDRM COCOc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001190973232 1007856074 /nfs/dbraw/zinc/85/60/74/1007856074.db2.gz ZCLKPDLHGOMIPW-UHFFFAOYSA-N -1 0 352.799 2.995 20 30 FFEDRM CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001191187318 1007930086 /nfs/dbraw/zinc/93/00/86/1007930086.db2.gz PADGIZLFTUPCGE-UHFFFAOYSA-N -1 0 361.401 2.953 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000818625660 1007956269 /nfs/dbraw/zinc/95/62/69/1007956269.db2.gz PBYCFIPGGIEEIP-JKSUJKDBSA-N -1 0 361.442 2.914 20 30 FFEDRM CCOCCn1cc(C([O-])=C(C#N)C(=O)N[C@H](CC)c2ccccc2)cn1 ZINC000857022039 1008041453 /nfs/dbraw/zinc/04/14/53/1008041453.db2.gz CDEREHMKXVSSIC-ZWKOTPCHSA-N -1 0 368.437 2.510 20 30 FFEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000820161394 1008295417 /nfs/dbraw/zinc/29/54/17/1008295417.db2.gz OPDVWICFPQABSK-CWTRNNRKSA-N -1 0 354.362 2.715 20 30 FFEDRM CC(=O)c1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c(C)nc1C ZINC000777112306 1008529698 /nfs/dbraw/zinc/52/96/98/1008529698.db2.gz NPNCEKHFCSBJDC-OAHLLOKOSA-N -1 0 371.418 2.699 20 30 FFEDRM CCn1c(=O)c2ccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2[n-]c1=S ZINC000116799568 1008530840 /nfs/dbraw/zinc/53/08/40/1008530840.db2.gz SQUICOVSTYACAI-BLVKFPJESA-N -1 0 370.478 2.907 20 30 FFEDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000861013789 1009231453 /nfs/dbraw/zinc/23/14/53/1009231453.db2.gz SEAQZGQSGXNXJP-UHFFFAOYSA-N -1 0 374.437 2.975 20 30 FFEDRM Cc1ccccc1C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861015897 1009233013 /nfs/dbraw/zinc/23/30/13/1009233013.db2.gz QDJGLQGWKLSTDS-CQSZACIVSA-N -1 0 374.437 2.831 20 30 FFEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cn(CC)nc2C)C1=O ZINC000861446430 1009412116 /nfs/dbraw/zinc/41/21/16/1009412116.db2.gz IBPVPIVRBYFLNC-GOSISDBHSA-N -1 0 363.462 2.527 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(Cc2ccccc2F)n1 ZINC000119469080 1010213983 /nfs/dbraw/zinc/21/39/83/1010213983.db2.gz WUGLDCCIXKXSOS-LBPRGKRZSA-N -1 0 368.393 2.812 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cn(CCCC#N)c2ccccc12 ZINC000774139938 1010477651 /nfs/dbraw/zinc/47/76/51/1010477651.db2.gz CHESIPYMUYPLCG-HNNXBMFYSA-N -1 0 359.389 2.884 20 30 FFEDRM C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000794839697 1010796692 /nfs/dbraw/zinc/79/66/92/1010796692.db2.gz XHXKGXPNTGKIMK-KRWDZBQOSA-N -1 0 371.458 2.915 20 30 FFEDRM CCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(C#N)cc1[O-] ZINC001274275853 1011349634 /nfs/dbraw/zinc/34/96/34/1011349634.db2.gz MATWTDQVVLOWJO-FQEVSTJZSA-N -1 0 355.438 2.661 20 30 FFEDRM C=CCN1CC[C@]2(CCCN(C(=O)c3ccc([O-])c(F)c3F)CC2)C1=O ZINC001274890439 1011730383 /nfs/dbraw/zinc/73/03/83/1011730383.db2.gz RKYGJLGFSDGJIE-LJQANCHMSA-N -1 0 364.392 2.701 20 30 FFEDRM CCO[C@H](C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21)[C@@H]1CCOC1 ZINC000870121641 1012168616 /nfs/dbraw/zinc/16/86/16/1012168616.db2.gz CADSIDOQEWGVLR-AFBRZQFHSA-N -1 0 354.406 2.810 20 30 FFEDRM Cc1ccccc1-n1nc(C([O-])=C(C#N)C(=O)c2nccn2C)c2c1CCC2 ZINC000123040838 1012306948 /nfs/dbraw/zinc/30/69/48/1012306948.db2.gz OIDWWPDXDMVENI-HNNXBMFYSA-N -1 0 373.416 2.608 20 30 FFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2)c1ccccc1 ZINC000870309827 1012310354 /nfs/dbraw/zinc/31/03/54/1012310354.db2.gz NXOGWAJTYPXMBR-IRXDYDNUSA-N -1 0 350.422 2.809 20 30 FFEDRM COCCn1ncc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)c1C ZINC000870454871 1012390573 /nfs/dbraw/zinc/39/05/73/1012390573.db2.gz RNKAUNPWUPQKMR-CQSZACIVSA-N -1 0 371.462 2.984 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)c1 ZINC000748412697 1017202857 /nfs/dbraw/zinc/20/28/57/1017202857.db2.gz YBBRNTCXBBWVFW-INIZCTEOSA-N -1 0 351.362 2.786 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@]2(C)CCOc3ccccc32)n1 ZINC000924416850 1017280898 /nfs/dbraw/zinc/28/08/98/1017280898.db2.gz OPIOGFMDHZMYFY-ORAYPTAESA-N -1 0 370.430 2.911 20 30 FFEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2c3c(nn2C)CCSC3)c1)C(=O)[O-] ZINC000901468961 1019122218 /nfs/dbraw/zinc/12/22/18/1019122218.db2.gz QHYLXLYHGUTQRB-DGMVEKRQSA-N -1 0 372.446 2.957 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C#N)cc1 ZINC000796631030 1019156012 /nfs/dbraw/zinc/15/60/12/1019156012.db2.gz NAEIBADPVPTWNV-KRWDZBQOSA-N -1 0 355.438 2.742 20 30 FFEDRM N#CCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1 ZINC000901591425 1019239320 /nfs/dbraw/zinc/23/93/20/1019239320.db2.gz YLXJZDNHVKXRFB-UHFFFAOYSA-N -1 0 369.446 2.836 20 30 FFEDRM C=CCOC[C@@H](NCc1cn(C)nc1-c1cc2ccccc2o1)C(=O)[O-] ZINC000901811396 1019492300 /nfs/dbraw/zinc/49/23/00/1019492300.db2.gz SLLYQHCWSPEHMK-OAHLLOKOSA-N -1 0 355.394 2.579 20 30 FFEDRM Cc1cc(=O)c(COC(=O)c2ccc(COc3ccccc3C#N)o2)n[n-]1 ZINC000802169784 1019827581 /nfs/dbraw/zinc/82/75/81/1019827581.db2.gz GCPMHMXRJJTEEZ-UHFFFAOYSA-N -1 0 365.345 2.891 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccccc2Oc2ccncc2)CCC1 ZINC000802176252 1019839871 /nfs/dbraw/zinc/83/98/71/1019839871.db2.gz ORMAXMVSKXUGEF-UHFFFAOYSA-N -1 0 371.418 2.627 20 30 FFEDRM C=C(C)CN1CCC2(CCN(C(=O)c3cc(F)cc(F)c3[O-])CC2)C1=O ZINC001276384035 1019936498 /nfs/dbraw/zinc/93/64/98/1019936498.db2.gz AZZRBUURDCZCBG-UHFFFAOYSA-N -1 0 364.392 2.701 20 30 FFEDRM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000800442971 1020320255 /nfs/dbraw/zinc/32/02/55/1020320255.db2.gz KIEQPQIEKVGALC-HNNXBMFYSA-N -1 0 372.446 2.589 20 30 FFEDRM C#CC[C@@H](NC(=O)Nc1cc(C(C)C)nn1Cc1ccccc1)C(=O)[O-] ZINC000900341614 1020369183 /nfs/dbraw/zinc/36/91/83/1020369183.db2.gz CSXJJRJERYXGJB-OAHLLOKOSA-N -1 0 354.410 2.653 20 30 FFEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000802797195 1020414638 /nfs/dbraw/zinc/41/46/38/1020414638.db2.gz QSDULRQOKUIXBE-LBPRGKRZSA-N -1 0 359.332 2.778 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cnc2C#N)s1 ZINC001260679091 1020753459 /nfs/dbraw/zinc/75/34/59/1020753459.db2.gz VZXIGBXGSQJYCR-UHFFFAOYSA-N -1 0 358.242 2.887 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)nc(Cl)c2)cc1 ZINC000778608261 1022159082 /nfs/dbraw/zinc/15/90/82/1022159082.db2.gz YVHVQDHKENSDLF-INIZCTEOSA-N -1 0 371.824 2.733 20 30 FFEDRM N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000042339693 1022166041 /nfs/dbraw/zinc/16/60/41/1022166041.db2.gz GYCALZDBWSHIIO-JXMROGBWSA-N -1 0 371.374 2.966 20 30 FFEDRM CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000750679553 1022332409 /nfs/dbraw/zinc/33/24/09/1022332409.db2.gz TZOHDPSLOMCDDM-GOSISDBHSA-N -1 0 372.446 2.670 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115904290 1022368002 /nfs/dbraw/zinc/36/80/02/1022368002.db2.gz XDKXGYVRFLIAGR-IBGZPJMESA-N -1 0 359.385 2.762 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000780317873 1022723609 /nfs/dbraw/zinc/72/36/09/1022723609.db2.gz AZADCNMQAPUUCM-RBSFLKMASA-N -1 0 374.437 2.905 20 30 FFEDRM COC(=O)COc1c(C)cc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C ZINC000752817325 1023209570 /nfs/dbraw/zinc/20/95/70/1023209570.db2.gz YMPVKLOSXMJTFL-UHFFFAOYSA-N -1 0 354.362 2.685 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1OC ZINC001122414736 1023253119 /nfs/dbraw/zinc/25/31/19/1023253119.db2.gz JARXDVUAQJRJOC-HNNXBMFYSA-N -1 0 354.410 2.510 20 30 FFEDRM COc1ccc([C@@]2(C)NC(=O)N(N=Cc3cccc(Cl)c3[O-])C2=O)cc1 ZINC000753160375 1023281040 /nfs/dbraw/zinc/28/10/40/1023281040.db2.gz DPAGZUUEAGFCSZ-GOSISDBHSA-N -1 0 373.796 2.855 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001122543826 1023330894 /nfs/dbraw/zinc/33/08/94/1023330894.db2.gz PEEPEXCHGSURMY-KGLIPLIRSA-N -1 0 374.514 2.633 20 30 FFEDRM C=C(C)CN(Cc1ccccc1)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C ZINC001122602544 1023362450 /nfs/dbraw/zinc/36/24/50/1023362450.db2.gz TXXBVKDMXTYCRA-UHFFFAOYSA-N -1 0 364.453 2.661 20 30 FFEDRM COc1ccc(-c2nc(SCCC3OCCCO3)[n-]c(=O)c2C#N)cc1 ZINC000754273223 1023449364 /nfs/dbraw/zinc/44/93/64/1023449364.db2.gz NYEBXUNUDSFTDW-UHFFFAOYSA-N -1 0 373.434 2.975 20 30 FFEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccnc(OC2CCC2)c1 ZINC001122859397 1023518454 /nfs/dbraw/zinc/51/84/54/1023518454.db2.gz MVRWJGNLIJQBPX-SFHVURJKSA-N -1 0 363.417 2.994 20 30 FFEDRM COc1cc2c(c(C=Nn3c(=O)c4ccccc4[n-]c3=S)c1)O[C@H](C)C2 ZINC000755618227 1023615224 /nfs/dbraw/zinc/61/52/24/1023615224.db2.gz YBNTVSXLUZZWBE-LLVKDONJSA-N -1 0 367.430 2.899 20 30 FFEDRM Cc1cccc2c(CCC(=O)[N-]S(=O)(=O)CC3(C#N)CCCC3)c[nH]c21 ZINC000779319026 1023672851 /nfs/dbraw/zinc/67/28/51/1023672851.db2.gz 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O=C([N-]C1CCN(Cc2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F ZINC001248789472 1040427061 /nfs/dbraw/zinc/42/70/61/1040427061.db2.gz AJNQONCRPZGTHR-UHFFFAOYSA-N -1 0 373.272 2.882 20 30 FFEDRM Cc1c2c(c(C)c(S(=O)(=O)[N-]c3cnc(C#N)cn3)c1C)CC(C)(C)O2 ZINC001260244250 1040487911 /nfs/dbraw/zinc/48/79/11/1040487911.db2.gz SFINOCBUSZWBAH-UHFFFAOYSA-N -1 0 372.450 2.788 20 30 FFEDRM N#Cc1ccnnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001260265881 1040496949 /nfs/dbraw/zinc/49/69/49/1040496949.db2.gz GADQUWYTYPORHN-UHFFFAOYSA-N -1 0 362.720 2.821 20 30 FFEDRM N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260374198 1040563317 /nfs/dbraw/zinc/56/33/17/1040563317.db2.gz IPCUJYZBGRSNOH-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260374108 1040564359 /nfs/dbraw/zinc/56/43/59/1040564359.db2.gz CCOUDNOLDVRYAD-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c2cccnc12 ZINC001260388900 1040570994 /nfs/dbraw/zinc/57/09/94/1040570994.db2.gz 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374.437 2.666 20 30 FFEDRM C[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001322507384 1046111422 /nfs/dbraw/zinc/11/14/22/1046111422.db2.gz ZSWNBUZFCOTDSE-SNVBAGLBSA-N -1 0 370.352 2.721 20 30 FFEDRM C=CC[C@H](NC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)C(=O)[O-] ZINC001325065255 1046360178 /nfs/dbraw/zinc/36/01/78/1046360178.db2.gz NWJCLGNEHUXELV-KRWDZBQOSA-N -1 0 364.405 2.854 20 30 FFEDRM C=CC[C@@H](NC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001325143245 1046391090 /nfs/dbraw/zinc/39/10/90/1046391090.db2.gz KIOOSOSHHZQBNN-CYBMUJFWSA-N -1 0 365.792 2.791 20 30 FFEDRM CCOc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001326194728 1046803609 /nfs/dbraw/zinc/80/36/09/1046803609.db2.gz XDBSWPFWDMURLW-CQSZACIVSA-N -1 0 372.446 2.641 20 30 FFEDRM CC(C)(C)S(=O)(=O)[N-]C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC001330415320 1049159225 /nfs/dbraw/zinc/15/92/25/1049159225.db2.gz VKMHXEORRKUEKC-UHFFFAOYSA-N -1 0 372.446 2.995 20 30 FFEDRM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 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CSOVZSSJHLUGSK-CQSZACIVSA-N -1 0 360.295 2.872 20 30 FFEDRM CC[C@H]1CCC[C@H]1Cn1c(C)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001306311112 1052095591 /nfs/dbraw/zinc/09/55/91/1052095591.db2.gz VJOWDWGTFLZZJW-GJZGRUSLSA-N -1 0 366.469 2.948 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(-n2cccc2)ccc1Cl ZINC001343563014 1052308817 /nfs/dbraw/zinc/30/88/17/1052308817.db2.gz GXNKYPDHKQHMFB-MRXNPFEDSA-N -1 0 373.840 2.996 20 30 FFEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1 ZINC001345840155 1052637301 /nfs/dbraw/zinc/63/73/01/1052637301.db2.gz XYUFEZBFYPEGTE-INIZCTEOSA-N -1 0 350.422 2.890 20 30 FFEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2ncc(Cl)n2C)c1C ZINC001344322312 1052714202 /nfs/dbraw/zinc/71/42/02/1052714202.db2.gz LVWRXAKGFQJBBN-CYBMUJFWSA-N -1 0 365.842 2.584 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@H]1CSC ZINC001346248678 1052803981 /nfs/dbraw/zinc/80/39/81/1052803981.db2.gz PABRTBAZDTYXIF-HNNXBMFYSA-N -1 0 370.482 2.825 20 30 FFEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)n1 ZINC001344588291 1052847649 /nfs/dbraw/zinc/84/76/49/1052847649.db2.gz YBSOHASFJUKWFL-ZDUSSCGKSA-N -1 0 351.297 2.805 20 30 FFEDRM C=C(C)CCC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ncccc1O)CC2 ZINC001346687704 1053223145 /nfs/dbraw/zinc/22/31/45/1053223145.db2.gz SWVSVASAYUPBQF-OXQOHEQNSA-N -1 0 357.454 2.645 20 30 FFEDRM N#CCOc1ccc(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cc1 ZINC001347833204 1054363984 /nfs/dbraw/zinc/36/39/84/1054363984.db2.gz ZKNKSWOBTVYUMR-UHFFFAOYSA-N -1 0 367.283 2.613 20 30 FFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1cccc2c1COCC2 ZINC001348243055 1054568989 /nfs/dbraw/zinc/56/89/89/1054568989.db2.gz VIFNMHZJESFIKG-OAHLLOKOSA-N -1 0 370.355 2.676 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(CC(F)(F)F)c2ccccn2)cc1C#N ZINC001356138351 1055323116 /nfs/dbraw/zinc/32/31/16/1055323116.db2.gz HQEAMCQWBLKFIV-UHFFFAOYSA-N -1 0 368.340 2.985 20 30 FFEDRM Cn1ncc2cc(S(=O)(=O)[N-]c3ccccc3SCCC#N)cnc21 ZINC001338374483 1055457835 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C#CCCCOc1cccnc1N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588447228 1080029637 /nfs/dbraw/zinc/02/96/37/1080029637.db2.gz UMBQLTHRSWTEPV-ZWKOTPCHSA-N -1 0 366.417 2.884 20 30 FFEDRM C#CCCOc1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001588455225 1080033370 /nfs/dbraw/zinc/03/33/70/1080033370.db2.gz HSKICUUHQUOMLX-NGEICVOHSA-N -1 0 373.474 2.948 20 30 FFEDRM C=CCC[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)C(=O)OCC ZINC001588457054 1080034185 /nfs/dbraw/zinc/03/41/85/1080034185.db2.gz HPOSRVPYCOHBAZ-INIZCTEOSA-N -1 0 364.442 2.568 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001588457837 1080034287 /nfs/dbraw/zinc/03/42/87/1080034287.db2.gz GENAYDKJGKBKDE-HZSPNIEDSA-N -1 0 354.447 2.606 20 30 FFEDRM C#CCN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CSC1 ZINC001588459622 1080036093 /nfs/dbraw/zinc/03/60/93/1080036093.db2.gz DYQKWTULWLXKMN-UHFFFAOYSA-N -1 0 350.465 2.587 20 30 FFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001588466046 1080038858 /nfs/dbraw/zinc/03/88/58/1080038858.db2.gz SPDCXSMMMYMREX-JKSUJKDBSA-N -1 0 372.421 2.684 20 30 FFEDRM C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588470071 1080039983 /nfs/dbraw/zinc/03/99/83/1080039983.db2.gz BILICRFZJZNWLV-SNVBAGLBSA-N -1 0 350.781 2.835 20 30 FFEDRM C#CCOc1cc(F)ccc1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001588498816 1080060294 /nfs/dbraw/zinc/06/02/94/1080060294.db2.gz HXRGDDJEPZXARG-UHFFFAOYSA-N -1 0 356.353 2.787 20 30 FFEDRM C#CCOc1cccc(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001588504147 1080061162 /nfs/dbraw/zinc/06/11/62/1080061162.db2.gz IWAJSRLJBJZBJN-HNNXBMFYSA-N -1 0 356.300 2.570 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001588538006 1080085674 /nfs/dbraw/zinc/08/56/74/1080085674.db2.gz BYECQJZAOCLADA-QHRIQVFBSA-N -1 0 354.410 2.710 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588540948 1080087913 /nfs/dbraw/zinc/08/79/13/1080087913.db2.gz PMIDIQRKHBNDNF-UONOGXRCSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588578429 1080106090 /nfs/dbraw/zinc/10/60/90/1080106090.db2.gz HDVHKASQMNFBGT-ZDUSSCGKSA-N -1 0 358.446 2.572 20 30 FFEDRM C=CCCCC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001588582050 1080107267 /nfs/dbraw/zinc/10/72/67/1080107267.db2.gz FXDJSIVFQFGBML-IBGZPJMESA-N -1 0 369.473 2.577 20 30 FFEDRM C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588585971 1080110150 /nfs/dbraw/zinc/11/01/50/1080110150.db2.gz AKIBUZNBEZCZRO-IUCAKERBSA-N -1 0 369.882 2.638 20 30 FFEDRM C=C(C)Cn1c([C@@H](C)c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588588982 1080112199 /nfs/dbraw/zinc/11/21/99/1080112199.db2.gz FCZRBKRRXYWCSR-HOCLYGCPSA-N -1 0 370.453 2.926 20 30 FFEDRM C=C(C)Cn1c(-c2coc(NC)n2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588589224 1080112885 /nfs/dbraw/zinc/11/28/85/1080112885.db2.gz JHXOANYXZYTTAG-CYBMUJFWSA-N -1 0 374.445 2.632 20 30 FFEDRM C=C(C)Cn1c([C@@H]2CCC(F)(F)C2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588590688 1080113723 /nfs/dbraw/zinc/11/37/23/1080113723.db2.gz AYVLFYJJBZRSBG-JHJVBQTASA-N -1 0 354.401 2.914 20 30 FFEDRM C=C(C)Cn1c([C@H](O)CC)nnc1N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001588591577 1080114225 /nfs/dbraw/zinc/11/42/25/1080114225.db2.gz KMXBDOPXRGNYJC-YESZJQIVSA-N -1 0 370.453 2.602 20 30 FFEDRM C=C(C)Cn1c(CC[C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588597280 1080118563 /nfs/dbraw/zinc/11/85/63/1080118563.db2.gz CLZNRNQBLZLQEV-BZUAXINKSA-N -1 0 362.474 2.513 20 30 FFEDRM C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@]12CCOC1=CCCCC2 ZINC001588598626 1080119308 /nfs/dbraw/zinc/11/93/08/1080119308.db2.gz JDNPWVPOGWOHAW-FOIQADDNSA-N -1 0 372.469 2.881 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588599003 1080119653 /nfs/dbraw/zinc/11/96/53/1080119653.db2.gz CXKIGGMLIAHYSJ-BBRMVZONSA-N -1 0 364.467 2.604 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC001588619352 1080123798 /nfs/dbraw/zinc/12/37/98/1080123798.db2.gz RAKIHZWRADRIAP-HNAYVOBHSA-N -1 0 361.438 2.849 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001588622713 1080125325 /nfs/dbraw/zinc/12/53/25/1080125325.db2.gz CYMSOBFJDNEQQR-HNNXBMFYSA-N -1 0 366.845 2.547 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC001588623730 1080126341 /nfs/dbraw/zinc/12/63/41/1080126341.db2.gz VYQZEPQTTJVBQV-NSHDSACASA-N -1 0 356.216 2.754 20 30 FFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC001588643674 1080135908 /nfs/dbraw/zinc/13/59/08/1080135908.db2.gz QWUPLIQAODTAMG-JTQLQIEISA-N -1 0 360.888 2.914 20 30 FFEDRM C=C1CCC(CNC(=O)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001588650118 1080139373 /nfs/dbraw/zinc/13/93/73/1080139373.db2.gz ZFRVHCSWQBSJCX-AWEZNQCLSA-N -1 0 358.438 2.751 20 30 FFEDRM C=C1CCC(CNC(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)CC1 ZINC001588649851 1080139420 /nfs/dbraw/zinc/13/94/20/1080139420.db2.gz IHLVMHSRRBOBPY-LJQANCHMSA-N -1 0 350.459 2.524 20 30 FFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@@H]1CCCCO1 ZINC001588680723 1080152223 /nfs/dbraw/zinc/15/22/23/1080152223.db2.gz GHYDDFYVWIYRSJ-GJZGRUSLSA-N -1 0 362.474 2.513 20 30 FFEDRM C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001588736758 1080176349 /nfs/dbraw/zinc/17/63/49/1080176349.db2.gz UPMVIXYTZVMYJO-UHFFFAOYSA-N -1 0 350.440 2.764 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588771289 1080187899 /nfs/dbraw/zinc/18/78/99/1080187899.db2.gz ROSICROHIBNFQF-BSUUSFPNSA-N -1 0 350.459 2.833 20 30 FFEDRM C=CCCC[C@H](NC(=O)CSc1nncn1-c1ccc(C)cc1)C(=O)[O-] ZINC001588788445 1080196549 /nfs/dbraw/zinc/19/65/49/1080196549.db2.gz CLHPLRSFEYZMJF-HNNXBMFYSA-N -1 0 374.466 2.594 20 30 FFEDRM C=CCCC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C(=O)[O-] ZINC001588789119 1080196725 /nfs/dbraw/zinc/19/67/25/1080196725.db2.gz 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C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-] ZINC001588794501 1080199938 /nfs/dbraw/zinc/19/99/38/1080199938.db2.gz WLYHRZGLLJIFDY-SJORKVTESA-N -1 0 374.437 2.713 20 30 FFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588820857 1080207601 /nfs/dbraw/zinc/20/76/01/1080207601.db2.gz WRVWLWKMTUJWNP-UHFFFAOYSA-N -1 0 351.346 2.989 20 30 FFEDRM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588831809 1080212059 /nfs/dbraw/zinc/21/20/59/1080212059.db2.gz QWLFTHRWBFFOHD-UHFFFAOYSA-N -1 0 374.393 2.772 20 30 FFEDRM C=CCN1CC[C@@H](N(C)[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1=O ZINC001588839025 1080213645 /nfs/dbraw/zinc/21/36/45/1080213645.db2.gz NGGTVKCYJZDSOO-OCCSQVGLSA-N -1 0 357.237 2.838 20 30 FFEDRM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001588844460 1080215437 /nfs/dbraw/zinc/21/54/37/1080215437.db2.gz ZZZSECHKZJWEFL-UHFFFAOYSA-N -1 0 355.354 2.731 20 30 FFEDRM CC(C)C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001588846871 1080216543 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20 30 FFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001588878800 1080229875 /nfs/dbraw/zinc/22/98/75/1080229875.db2.gz JKXVDXPCXXAMTE-UHFFFAOYSA-N -1 0 367.361 2.658 20 30 FFEDRM C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588879587 1080229906 /nfs/dbraw/zinc/22/99/06/1080229906.db2.gz GOYIMKZCSUIAHV-OAHLLOKOSA-N -1 0 364.515 2.841 20 30 FFEDRM C=CCn1c(-c2c[nH]c3ncccc23)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588886157 1080233726 /nfs/dbraw/zinc/23/37/26/1080233726.db2.gz BJJAKRITHUGVIA-LJQANCHMSA-N -1 0 366.425 2.699 20 30 FFEDRM C=CCn1c(-c2c[nH]cc2C(F)(F)F)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588887012 1080235448 /nfs/dbraw/zinc/23/54/48/1080235448.db2.gz XXWOQHFHKUZALW-HNNXBMFYSA-N -1 0 369.347 2.779 20 30 FFEDRM C=CCn1c(-c2cc3ccsc3[nH]2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588889460 1080237913 /nfs/dbraw/zinc/23/79/13/1080237913.db2.gz VTUGIIWKICDAPU-KRWDZBQOSA-N -1 0 357.439 2.975 20 30 FFEDRM C=CCn1c(-c2ccc3cccnc3c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588889389 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COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(F)c(C#N)c3)n2)cc1 ZINC000181034085 510249187 /nfs/dbraw/zinc/24/91/87/510249187.db2.gz DPAQBLIEPIRQKT-UHFFFAOYSA-N -1 0 352.325 2.850 20 30 FFEDRM N#Cc1ccc(CSCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000262596446 510330197 /nfs/dbraw/zinc/33/01/97/510330197.db2.gz IWNLNFVPZXIVDA-SFHVURJKSA-N -1 0 366.442 2.830 20 30 FFEDRM C=CCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C)C(=O)[O-] ZINC000262805680 510420145 /nfs/dbraw/zinc/42/01/45/510420145.db2.gz DADSGDNKIJMONW-ZWKOTPCHSA-N -1 0 372.465 2.522 20 30 FFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000187764866 510424429 /nfs/dbraw/zinc/42/44/29/510424429.db2.gz KXTUNWPBSIWJTR-VIFPVBQESA-N -1 0 366.830 2.552 20 30 FFEDRM CCOc1ccc(C[C@@H](CNC(=O)c2cccc(CC#N)c2)C(=O)[O-])cc1 ZINC000262959674 510494797 /nfs/dbraw/zinc/49/47/97/510494797.db2.gz JYOAQAYLUORCAP-SFHVURJKSA-N -1 0 366.417 2.825 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2oc(C)nc2C)C1=O ZINC000175181355 510520963 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C=C[C@@H](CC(=O)N1CCC[C@H](N(CC(=O)[O-])C(C)=O)CC1)c1ccccc1 ZINC000263225253 510619452 /nfs/dbraw/zinc/61/94/52/510619452.db2.gz ZUZXKIUSDZLPQI-HKUYNNGSSA-N -1 0 372.465 2.661 20 30 FFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC(=O)[O-] ZINC000263391716 510689826 /nfs/dbraw/zinc/68/98/26/510689826.db2.gz QPILNKZIUVHIQZ-UHFFFAOYSA-N -1 0 359.195 2.761 20 30 FFEDRM C[C@@H](CN(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C(=O)[O-] ZINC000263464400 510712603 /nfs/dbraw/zinc/71/26/03/510712603.db2.gz FQZBVLGCHGSFKP-NSHDSACASA-N -1 0 358.423 2.790 20 30 FFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1C(=O)N(C)C(C)C ZINC000195343194 510793005 /nfs/dbraw/zinc/79/30/05/510793005.db2.gz YFBFKLMPYUEOBJ-UHFFFAOYSA-N -1 0 372.450 2.543 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n(-c2ccccn2)n1 ZINC000172674811 510841571 /nfs/dbraw/zinc/84/15/71/510841571.db2.gz HNAXHTLTVLVOOJ-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1/C([O-])=N/[C@@H](C#N)C(C)C ZINC000330983252 511035292 /nfs/dbraw/zinc/03/52/92/511035292.db2.gz KAKIKVSCEITBIN-LBPRGKRZSA-N -1 0 359.455 2.682 20 30 FFEDRM COC(=O)CCc1n[n-]c(=NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)s1 ZINC000331135454 511045150 /nfs/dbraw/zinc/04/51/50/511045150.db2.gz CQJNUOIPEOOPFJ-GHMZBOCLSA-N -1 0 354.476 2.606 20 30 FFEDRM CC[C@H](NC(=O)N=c1[n-]nc(CC(F)(F)F)s1)C1CCOCC1 ZINC000331196934 511048571 /nfs/dbraw/zinc/04/85/71/511048571.db2.gz ZHGYIDABUVXPEO-VIFPVBQESA-N -1 0 352.382 2.596 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc(C3CC3)nc2)C1=O ZINC000295210579 511321932 /nfs/dbraw/zinc/32/19/32/511321932.db2.gz ALHKMDXYKRIXOQ-IBGZPJMESA-N -1 0 373.457 2.670 20 30 FFEDRM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)[C@@H]1C[C@@H]1C ZINC000295242263 511333394 /nfs/dbraw/zinc/33/33/94/511333394.db2.gz VFPXBKNKKAKAOT-KPZWWZAWSA-N -1 0 370.434 2.515 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1F ZINC000291925155 511393969 /nfs/dbraw/zinc/39/39/69/511393969.db2.gz VNEZKPBKKHFQNF-UHFFFAOYSA-N -1 0 350.375 2.929 20 30 FFEDRM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c1[O-] ZINC000292129937 511476583 /nfs/dbraw/zinc/47/65/83/511476583.db2.gz SHTMWJRQKPTENB-GJZGRUSLSA-N -1 0 370.453 2.728 20 30 FFEDRM COc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1 ZINC000295722914 511496263 /nfs/dbraw/zinc/49/62/63/511496263.db2.gz HCZOXPXTGBZUAW-UHFFFAOYSA-N -1 0 374.344 2.625 20 30 FFEDRM COC(=O)[C@H](CC(F)(F)F)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000274108813 511720857 /nfs/dbraw/zinc/72/08/57/511720857.db2.gz VDUFNEKUPXERIU-VUMAHTSQSA-N -1 0 354.668 2.867 20 30 FFEDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000321782747 511822051 /nfs/dbraw/zinc/82/20/51/511822051.db2.gz SYEWRSLWNHFYCX-QWRGUYRKSA-N -1 0 358.847 2.769 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000326134899 511854383 /nfs/dbraw/zinc/85/43/83/511854383.db2.gz CSJFTUSQLGSJPR-UHFFFAOYSA-N -1 0 352.297 2.645 20 30 FFEDRM CCCCCCCCn1nc(C)c(S(=O)(=O)[N-]c2ncnn2C)c1C ZINC000274741334 511926971 /nfs/dbraw/zinc/92/69/71/511926971.db2.gz LSJPYIPCSFTOEK-UHFFFAOYSA-N -1 0 368.507 2.790 20 30 FFEDRM Cc1noc([C@H](NC(=O)c2s[n-]c(=O)c2Cl)C2CCOCC2)n1 ZINC000329211035 512004518 /nfs/dbraw/zinc/00/45/18/512004518.db2.gz YZYROKNRPXZAHU-SECBINFHSA-N -1 0 358.807 2.666 20 30 FFEDRM O=C(NCC1([NH+]2CCSCC2)CCCC1)c1csc(NC2CC2)n1 ZINC000329476948 512054707 /nfs/dbraw/zinc/05/47/07/512054707.db2.gz PQNAHOBDMVZQEW-UHFFFAOYSA-N -1 0 366.556 2.806 20 30 FFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccc(F)cc3)n2)c(F)c1 ZINC000376284375 512749229 /nfs/dbraw/zinc/74/92/29/512749229.db2.gz ZANIWWSMWUYQPB-UHFFFAOYSA-N -1 0 360.345 2.823 20 30 FFEDRM N#Cc1c([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)n[nH]c1C1CC1 ZINC000421237198 513171060 /nfs/dbraw/zinc/17/10/60/513171060.db2.gz BLTGJAJMBADVNQ-UHFFFAOYSA-N -1 0 372.328 2.700 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000424530437 513174471 /nfs/dbraw/zinc/17/44/71/513174471.db2.gz HFEKHVPPBSQEQR-QITLCBANSA-N -1 0 351.830 2.780 20 30 FFEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)nn2)c1 ZINC000434625064 513372017 /nfs/dbraw/zinc/37/20/17/513372017.db2.gz IDXXFHAZHURSMS-OAHLLOKOSA-N -1 0 350.357 2.612 20 30 FFEDRM COc1cccc(S([O-])=CC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425116076 513417453 /nfs/dbraw/zinc/41/74/53/513417453.db2.gz VMNKLQHPERQMAB-SXBQZSJRSA-N -1 0 356.447 2.894 20 30 FFEDRM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)c1 ZINC000451086165 513509472 /nfs/dbraw/zinc/50/94/72/513509472.db2.gz MQPUWWJVQQLXIM-UHFFFAOYSA-N -1 0 360.439 2.822 20 30 FFEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000447782463 513567859 /nfs/dbraw/zinc/56/78/59/513567859.db2.gz GOUXBMCTDSEVEI-UHFFFAOYSA-N -1 0 374.344 2.877 20 30 FFEDRM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435485362 513602883 /nfs/dbraw/zinc/60/28/83/513602883.db2.gz VWMIGFMEHBDLQN-NSHDSACASA-N -1 0 364.448 2.772 20 30 FFEDRM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435503467 513605469 /nfs/dbraw/zinc/60/54/69/513605469.db2.gz VXGAXNUPGLNGME-UHFFFAOYSA-N -1 0 352.437 2.570 20 30 FFEDRM Cc1ncc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)cn1 ZINC000447948151 513635082 /nfs/dbraw/zinc/63/50/82/513635082.db2.gz LHLPJNGSJRNUBU-UHFFFAOYSA-N -1 0 354.464 2.835 20 30 FFEDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000416448567 513777471 /nfs/dbraw/zinc/77/74/71/513777471.db2.gz UHYDSFVRFFHRPS-KBPBESRZSA-N -1 0 369.343 2.699 20 30 FFEDRM Cc1nc(SCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(C#N)c(C)c1C ZINC000422581880 513854835 /nfs/dbraw/zinc/85/48/35/513854835.db2.gz RVLOZJLBILIHLK-YGRLFVJLSA-N -1 0 361.467 2.682 20 30 FFEDRM C=CCC1(CNC(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCC1 ZINC000422642831 513888689 /nfs/dbraw/zinc/88/86/89/513888689.db2.gz GFZYNBXKWWLFHJ-UHFFFAOYSA-N -1 0 358.438 2.895 20 30 FFEDRM Cc1[nH]nc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])c1C#N ZINC000431456291 513901412 /nfs/dbraw/zinc/90/14/12/513901412.db2.gz FDKMVWALNUMFHB-UHFFFAOYSA-N -1 0 350.382 2.857 20 30 FFEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(C)=O)ccc3[O-])cc2C1=O ZINC000436680667 513941724 /nfs/dbraw/zinc/94/17/24/513941724.db2.gz OYSPRKRDASSIFE-UHFFFAOYSA-N -1 0 364.357 2.629 20 30 FFEDRM C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436698147 513947522 /nfs/dbraw/zinc/94/75/22/513947522.db2.gz OQMISHXHBAGHPW-CQSZACIVSA-N -1 0 366.483 2.651 20 30 FFEDRM C=CCCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000436797601 513984302 /nfs/dbraw/zinc/98/43/02/513984302.db2.gz OPHROXQGABTMKH-UHFFFAOYSA-N -1 0 374.462 2.567 20 30 FFEDRM Cc1cc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)nn1C ZINC000414310934 514042607 /nfs/dbraw/zinc/04/26/07/514042607.db2.gz UIVROVMUEDBELU-UHFFFAOYSA-N -1 0 356.480 2.778 20 30 FFEDRM C=C(C)CCNS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000414322268 514047113 /nfs/dbraw/zinc/04/71/13/514047113.db2.gz FFKVPDNONGXGOP-UHFFFAOYSA-N -1 0 361.847 2.828 20 30 FFEDRM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000414374004 514072422 /nfs/dbraw/zinc/07/24/22/514072422.db2.gz NHQRWSQIMXJFFG-UHFFFAOYSA-N -1 0 361.423 2.940 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C#N ZINC000427130345 514125853 /nfs/dbraw/zinc/12/58/53/514125853.db2.gz HLKIDWSTMWRLHB-UHFFFAOYSA-N -1 0 358.423 2.657 20 30 FFEDRM COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427134934 514126835 /nfs/dbraw/zinc/12/68/35/514126835.db2.gz GGSRIDZLDWGDQK-UHFFFAOYSA-N -1 0 369.349 2.673 20 30 FFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1C#N ZINC000414467840 514135935 /nfs/dbraw/zinc/13/59/35/514135935.db2.gz FAMKUCMUMSCGLF-UHFFFAOYSA-N -1 0 374.344 2.608 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1C#N ZINC000427278741 514170729 /nfs/dbraw/zinc/17/07/29/514170729.db2.gz COYUXRRXWGKRGA-UHFFFAOYSA-N -1 0 351.391 2.520 20 30 FFEDRM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000427279525 514170758 /nfs/dbraw/zinc/17/07/58/514170758.db2.gz DRVJCAGJUXVEPK-UHFFFAOYSA-N -1 0 373.434 2.513 20 30 FFEDRM COc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC(C)C ZINC000427293905 514173326 /nfs/dbraw/zinc/17/33/26/514173326.db2.gz BFHYOVUGRMNCRD-UHFFFAOYSA-N -1 0 361.423 2.858 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cc1C#N ZINC000427304645 514178615 /nfs/dbraw/zinc/17/86/15/514178615.db2.gz MDUMPKVWSAHXBQ-UHFFFAOYSA-N -1 0 373.825 2.902 20 30 FFEDRM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427331177 514185529 /nfs/dbraw/zinc/18/55/29/514185529.db2.gz XZGFVOCTCGHACI-UHFFFAOYSA-N -1 0 373.434 2.973 20 30 FFEDRM N#Cc1ccc(OC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)cc1 ZINC000414623579 514211496 /nfs/dbraw/zinc/21/14/96/514211496.db2.gz HPCXLBHZIXCPFT-UHFFFAOYSA-N -1 0 359.426 2.756 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cccc(OCC(F)(F)F)c2)[n-]1 ZINC000432749882 514275339 /nfs/dbraw/zinc/27/53/39/514275339.db2.gz JNJXQIVMXPNXDJ-UHFFFAOYSA-N -1 0 352.316 2.951 20 30 FFEDRM C[C@@H](C#N)CN(C)C(=O)N=c1[n-]nc(COc2ccc(Cl)cc2)s1 ZINC000417302766 514284634 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C[C@H](Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1)C(=O)[O-] ZINC000475814373 514820142 /nfs/dbraw/zinc/82/01/42/514820142.db2.gz PRUSMUVRQLIDPS-CYBMUJFWSA-N -1 0 358.419 2.817 20 30 FFEDRM C=CCOc1cccnc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455910723 514827124 /nfs/dbraw/zinc/82/71/24/514827124.db2.gz DVYJMPJVIFKRLK-HOCLYGCPSA-N -1 0 354.406 2.708 20 30 FFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000462064944 514857009 /nfs/dbraw/zinc/85/70/09/514857009.db2.gz IGQKDQWTSJMHGT-CYBMUJFWSA-N -1 0 359.455 2.715 20 30 FFEDRM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000508768980 514889406 /nfs/dbraw/zinc/88/94/06/514889406.db2.gz LVIUXCHDKQTCQK-UHFFFAOYSA-N -1 0 368.828 2.779 20 30 FFEDRM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000467139123 514913844 /nfs/dbraw/zinc/91/38/44/514913844.db2.gz AMBLKYZUURXFGA-LBPRGKRZSA-N -1 0 366.389 2.891 20 30 FFEDRM Cc1ccccc1OCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467151259 514920064 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CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(S(C)(=O)=O)c(C)o2)cc1 ZINC000528920722 516796469 /nfs/dbraw/zinc/79/64/69/516796469.db2.gz QXKQVIFFUYYYMS-CQSZACIVSA-N -1 0 374.418 2.515 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1[C@H]1CCOC1 ZINC000528921750 516799088 /nfs/dbraw/zinc/79/90/88/516799088.db2.gz VHESZKBBGATAQA-WMZOPIPTSA-N -1 0 357.454 2.838 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528923955 516800843 /nfs/dbraw/zinc/80/08/43/516800843.db2.gz NLRQSFHEBIBOIK-LLVKDONJSA-N -1 0 368.359 2.619 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000528937707 516812080 /nfs/dbraw/zinc/81/20/80/516812080.db2.gz BSKNGTRQPPSZPJ-MSOLQXFVSA-N -1 0 372.421 2.837 20 30 FFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000558592721 516825655 /nfs/dbraw/zinc/82/56/55/516825655.db2.gz IHEVLTHPLJYJTF-UHFFFAOYSA-N -1 0 369.305 2.554 20 30 FFEDRM C=CCCS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(C)cc1C ZINC000548230585 516839485 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CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC001594780891 981786017 /nfs/dbraw/zinc/78/60/17/981786017.db2.gz IVPRITTXLKIAAY-FQEVSTJZSA-N -1 0 373.453 2.700 20 30 FFEDRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000179327975 981949901 /nfs/dbraw/zinc/94/99/01/981949901.db2.gz PYAYIXBQQXEAGF-GFCCVEGCSA-N -1 0 372.450 2.722 20 30 FFEDRM CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCC1 ZINC001595641878 981969217 /nfs/dbraw/zinc/96/92/17/981969217.db2.gz FBBNYMRZFUJPPJ-OAHLLOKOSA-N -1 0 350.440 2.894 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NCc2cnn(C)c2)cc1)C(=O)[O-] ZINC000910917820 982093740 /nfs/dbraw/zinc/09/37/40/982093740.db2.gz VUHHUECXTXJWCR-QGZVFWFLSA-N -1 0 356.426 2.572 20 30 FFEDRM CCCCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001595676064 982146152 /nfs/dbraw/zinc/14/61/52/982146152.db2.gz HDHPWPXLIZFURB-INIZCTEOSA-N -1 0 354.410 2.816 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(-c3cnco3)cc2)CCCCC1 ZINC000760402307 982395403 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374.396 2.742 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1)C(=O)[O-] ZINC001588785463 984180842 /nfs/dbraw/zinc/18/08/42/984180842.db2.gz HADQXJOTUWMQKL-UONOGXRCSA-N -1 0 354.447 2.606 20 30 FFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OCc2ccccc2C#N)cc1 ZINC000129554977 984316353 /nfs/dbraw/zinc/31/63/53/984316353.db2.gz BCTRGQOSEKJYQI-IBGZPJMESA-N -1 0 359.385 2.738 20 30 FFEDRM CCOC(=O)COc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001596628691 984608256 /nfs/dbraw/zinc/60/82/56/984608256.db2.gz GMLPILMDUYQUBF-GOSISDBHSA-N -1 0 354.362 2.738 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C#N ZINC001596666150 984730084 /nfs/dbraw/zinc/73/00/84/984730084.db2.gz CSGHWNZTEWAPOK-HAQNSBGRSA-N -1 0 359.382 2.956 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1C#N ZINC001596666187 984730631 /nfs/dbraw/zinc/73/06/31/984730631.db2.gz DZVPHEUTPDRHCJ-UHFFFAOYSA-N -1 0 371.353 2.807 20 30 FFEDRM C[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[C@H]1C(=O)[O-] ZINC001599924953 985187842 /nfs/dbraw/zinc/18/78/42/985187842.db2.gz VDQRCDPYDKXDIM-SUMWQHHRSA-N -1 0 365.389 2.928 20 30 FFEDRM CCO[C@H]1C[C@](NC(=O)c2cccc(SCC#N)c2)(C(=O)[O-])C1(C)C ZINC001596827432 985441202 /nfs/dbraw/zinc/44/12/02/985441202.db2.gz LUGVZYJFDXBDIE-KSSFIOAISA-N -1 0 362.451 2.690 20 30 FFEDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1cccc(C#N)n1 ZINC001599971463 986013789 /nfs/dbraw/zinc/01/37/89/986013789.db2.gz UZROFIKUWQIVND-UHFFFAOYSA-N -1 0 360.167 2.975 20 30 FFEDRM Cc1ccc(-c2ocnc2C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000173910838 986016008 /nfs/dbraw/zinc/01/60/08/986016008.db2.gz WYQRXPOMMYTTES-UHFFFAOYSA-N -1 0 367.386 2.640 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)cc1C ZINC000173943009 986020763 /nfs/dbraw/zinc/02/07/63/986020763.db2.gz FKGXQGLFKRVCCW-KRWDZBQOSA-N -1 0 353.426 2.595 20 30 FFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc(C#N)cc1OC ZINC001597016304 986377656 /nfs/dbraw/zinc/37/76/56/986377656.db2.gz VXNGDVDTKMFREV-UHFFFAOYSA-N -1 0 370.361 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CC(C)(C)c1ccc(OCCNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001590498203 990106385 /nfs/dbraw/zinc/10/63/85/990106385.db2.gz PXLCIXQREKNUKX-UHFFFAOYSA-N -1 0 373.453 2.763 20 30 FFEDRM CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1(C(=O)[O-])CCCC1 ZINC001598003661 990143748 /nfs/dbraw/zinc/14/37/48/990143748.db2.gz RFKPZJIDYLGVJR-UHFFFAOYSA-N -1 0 373.428 2.770 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CC[C@H]1CCCO1 ZINC000917507062 990233784 /nfs/dbraw/zinc/23/37/84/990233784.db2.gz NAUKWQJLYIGBBK-KGLIPLIRSA-N -1 0 360.410 2.659 20 30 FFEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000918728936 990480699 /nfs/dbraw/zinc/48/06/99/990480699.db2.gz SKSSEBWEDIWFBI-UHFFFAOYSA-N -1 0 372.402 2.840 20 30 FFEDRM CC(C)[C@@H]1N(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC12CCCC2 ZINC001591098509 991701597 /nfs/dbraw/zinc/70/15/97/991701597.db2.gz BUODWOUDAPRWAA-INIZCTEOSA-N -1 0 362.451 2.846 20 30 FFEDRM CN(CN1Cc2ccc(C(=O)[O-])cc2C1=O)c1cc(Cl)ccc1C#N ZINC001598503148 992462717 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1007690547 /nfs/dbraw/zinc/69/05/47/1007690547.db2.gz QASPVHBVDKBQKF-GOSISDBHSA-N -1 0 367.449 2.860 20 30 FFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC001190615772 1007702866 /nfs/dbraw/zinc/70/28/66/1007702866.db2.gz BLDWNEDUUGIBKJ-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)c1 ZINC001190616040 1007703365 /nfs/dbraw/zinc/70/33/65/1007703365.db2.gz HJKXAPKYCPSKPG-UHFFFAOYSA-N -1 0 360.414 2.883 20 30 FFEDRM Cc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Br)c1 ZINC001190607813 1007719613 /nfs/dbraw/zinc/71/96/13/1007719613.db2.gz AXQAUHYMUSXACN-UHFFFAOYSA-N -1 0 370.203 2.964 20 30 FFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cn2)c1 ZINC001190607957 1007720014 /nfs/dbraw/zinc/72/00/14/1007720014.db2.gz FTFHFZUIYRHWFT-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2C(F)(F)F)c1 ZINC001190925799 1007835144 /nfs/dbraw/zinc/83/51/44/1007835144.db2.gz KQRGWIRNVHPHBC-UHFFFAOYSA-N -1 0 361.732 2.848 20 30 FFEDRM COc1cccc(CO)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190973031 1007856114 /nfs/dbraw/zinc/85/61/14/1007856114.db2.gz SKULPMXZWXTHKK-UHFFFAOYSA-N -1 0 352.799 2.513 20 30 FFEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000820161393 1008295550 /nfs/dbraw/zinc/29/55/50/1008295550.db2.gz OPDVWICFPQABSK-BUXKBTBVSA-N -1 0 354.362 2.715 20 30 FFEDRM Cn1ccc(C(=O)Nc2ccccc2-c2ccc(C#N)cn2)c1CC(=O)[O-] ZINC001177371342 1008580872 /nfs/dbraw/zinc/58/08/72/1008580872.db2.gz YIVXQIBCRZCOCJ-UHFFFAOYSA-N -1 0 360.373 2.838 20 30 FFEDRM C#CCN1CCC[C@@H](NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC001177759752 1008735898 /nfs/dbraw/zinc/73/58/98/1008735898.db2.gz VZJUPZKUGYBCCM-QGZVFWFLSA-N -1 0 366.465 2.529 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3nc(C)c(C)[nH]3)CC2)cc1C#N ZINC001178042520 1008855572 /nfs/dbraw/zinc/85/55/72/1008855572.db2.gz DHZSPEWPXLPJIC-UHFFFAOYSA-N -1 0 371.466 2.741 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(CC(C)C)[nH]c(=O)c2)n1 ZINC000777138568 1008915427 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C=CC[C@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)C(=O)[O-] ZINC001335324856 1053297229 /nfs/dbraw/zinc/29/72/29/1053297229.db2.gz PSUMHUGPNBENBV-NEPJUHHUSA-N -1 0 369.215 2.601 20 30 FFEDRM CCn1ccnc1C(C#N)=C([O-])c1nn(C(C)C)cc1Br ZINC001347338041 1053860598 /nfs/dbraw/zinc/86/05/98/1053860598.db2.gz OQRGEPVCKWPUEJ-SNVBAGLBSA-N -1 0 350.220 2.933 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)cc1F ZINC001347528804 1054074171 /nfs/dbraw/zinc/07/41/71/1054074171.db2.gz OHSWMGKWPCTGTG-UHFFFAOYSA-N -1 0 373.409 2.621 20 30 FFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)CC1=CCSC1 ZINC001347600932 1054145130 /nfs/dbraw/zinc/14/51/30/1054145130.db2.gz ZSRHHDMCKPUDOB-UHFFFAOYSA-N -1 0 370.482 2.683 20 30 FFEDRM CCCCN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C[C@@H]1CCCO1 ZINC001347856695 1054384325 /nfs/dbraw/zinc/38/43/25/1054384325.db2.gz JXXVGOJRNLWRBU-INIZCTEOSA-N -1 0 370.457 2.723 20 30 FFEDRM N#CC(=C([O-])c1ccc(CN2CCCC2=O)cc1)c1ncc(F)cc1F ZINC001347994369 1054538875 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FFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001573317264 1077669023 /nfs/dbraw/zinc/66/90/23/1077669023.db2.gz FQPMNYFUGXGRTD-UHFFFAOYSA-N -1 0 372.318 2.606 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1 ZINC001573318034 1077669564 /nfs/dbraw/zinc/66/95/64/1077669564.db2.gz JTHINXNKIHBYDE-UHFFFAOYSA-N -1 0 358.221 2.945 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C)C(=O)[O-] ZINC001573320927 1077669659 /nfs/dbraw/zinc/66/96/59/1077669659.db2.gz GNHJSLPAFSLTNK-CMPLNLGQSA-N -1 0 360.332 2.869 20 30 FFEDRM C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573325188 1077670400 /nfs/dbraw/zinc/67/04/00/1077670400.db2.gz GHVBWIGSZGIFFY-AWEZNQCLSA-N -1 0 374.416 2.873 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCC(=O)OC)c2ccccc12 ZINC001573337971 1077673687 /nfs/dbraw/zinc/67/36/87/1077673687.db2.gz UTFGCOSVQJXQBB-UHFFFAOYSA-N -1 0 357.362 2.751 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC001573338802 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C=CCC1(CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCCC1 ZINC001588767167 1080185371 /nfs/dbraw/zinc/18/53/71/1080185371.db2.gz MXRDSKQPFFXCBZ-UHFFFAOYSA-N -1 0 360.410 2.585 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)C(=O)[O-] ZINC001588792527 1080197993 /nfs/dbraw/zinc/19/79/93/1080197993.db2.gz JQFIXFMLUQIKTP-LLVKDONJSA-N -1 0 366.215 2.865 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001588793801 1080198779 /nfs/dbraw/zinc/19/87/79/1080198779.db2.gz BOKZHXGNWGVTFF-TYILLQQXSA-N -1 0 366.458 2.702 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)C(=O)[O-] ZINC001588792561 1080198943 /nfs/dbraw/zinc/19/89/43/1080198943.db2.gz AYONPHXZUGVGKK-INIZCTEOSA-N -1 0 365.451 2.552 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588793922 1080199926 /nfs/dbraw/zinc/19/99/26/1080199926.db2.gz FXNIFUNIWLTQSI-KSMMKXTCSA-N -1 0 368.474 2.805 20 30 FFEDRM C=CCCSCCNC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001588814792 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Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000431184594 513847889 /nfs/dbraw/zinc/84/78/89/513847889.db2.gz VBYAFGQNPMYDFJ-UHFFFAOYSA-N -1 0 359.382 2.691 20 30 FFEDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000436476633 513864934 /nfs/dbraw/zinc/86/49/34/513864934.db2.gz JRBQCQXYNVULHF-UHFFFAOYSA-N -1 0 356.201 2.726 20 30 FFEDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443377236 513955503 /nfs/dbraw/zinc/95/55/03/513955503.db2.gz ZZSUTOLMOKZOIV-UHFFFAOYSA-N -1 0 356.201 2.726 20 30 FFEDRM C=CCOc1cccnc1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000431689330 513969405 /nfs/dbraw/zinc/96/94/05/513969405.db2.gz XSXSLEWJWRQLHZ-UHFFFAOYSA-N -1 0 351.362 2.938 20 30 FFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000416936320 514054488 /nfs/dbraw/zinc/05/44/88/514054488.db2.gz HUFOHJPOMPLWQY-VIFPVBQESA-N -1 0 350.318 2.536 20 30 FFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000416954277 514065412 /nfs/dbraw/zinc/06/54/12/514065412.db2.gz UYQSVNNXOLEKBB-MRXNPFEDSA-N -1 0 371.462 2.969 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000427219065 514154242 /nfs/dbraw/zinc/15/42/42/514154242.db2.gz NUOZYDZUKYWSBM-UHFFFAOYSA-N -1 0 354.746 2.850 20 30 FFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427327432 514183733 /nfs/dbraw/zinc/18/37/33/514183733.db2.gz LMQIXTNBQLNNPK-UHFFFAOYSA-N -1 0 356.382 2.992 20 30 FFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc2[nH]ccc21 ZINC000427325842 514184237 /nfs/dbraw/zinc/18/42/37/514184237.db2.gz ZIAXAUNAGBTXLE-UHFFFAOYSA-N -1 0 373.365 2.766 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)cc1C#N ZINC000427765021 514306563 /nfs/dbraw/zinc/30/65/63/514306563.db2.gz LZVDNNVLGQYTIX-UHFFFAOYSA-N -1 0 373.825 2.902 20 30 FFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427777295 514311187 /nfs/dbraw/zinc/31/11/87/514311187.db2.gz GWLSBDPXSOLBOI-UHFFFAOYSA-N -1 0 359.386 2.681 20 30 FFEDRM COCc1cccc2sc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)nc21 ZINC000427782919 514313533 /nfs/dbraw/zinc/31/35/33/514313533.db2.gz OVVVNEIOJQZIJU-UHFFFAOYSA-N -1 0 374.447 2.819 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2F)cc1F ZINC000427795259 514316834 /nfs/dbraw/zinc/31/68/34/514316834.db2.gz YJNVTDRWUQAAQB-UHFFFAOYSA-N -1 0 374.372 2.882 20 30 FFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)c1 ZINC000445042167 514395178 /nfs/dbraw/zinc/39/51/78/514395178.db2.gz QHKSPZWRZLLEOW-UHFFFAOYSA-N -1 0 365.382 2.978 20 30 FFEDRM CCC(CC)(CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC000424372238 514463981 /nfs/dbraw/zinc/46/39/81/514463981.db2.gz WECKVONLNYMTQC-UHFFFAOYSA-N -1 0 358.847 2.575 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c(Cl)c1 ZINC000502432213 514648001 /nfs/dbraw/zinc/64/80/01/514648001.db2.gz PCCMHVJYENTHTB-UHFFFAOYSA-N -1 0 370.217 2.765 20 30 FFEDRM COC(=O)c1c(C)csc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000508073322 514656963 /nfs/dbraw/zinc/65/69/63/514656963.db2.gz JSJVDGLJCPNQHB-UHFFFAOYSA-N -1 0 350.421 2.824 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc3c2C(=O)CCC3)n1 ZINC000453626328 514735235 /nfs/dbraw/zinc/73/52/35/514735235.db2.gz JKHHOHYYGILLPN-VIFPVBQESA-N -1 0 358.375 2.922 20 30 FFEDRM N#Cc1cccc(CCNC(=O)N=c2[n-]nc(-c3ccsc3)s2)c1 ZINC000466829185 514794807 /nfs/dbraw/zinc/79/48/07/514794807.db2.gz PWBRMSYGLRPWSW-UHFFFAOYSA-N -1 0 355.448 2.924 20 30 FFEDRM Cc1nc(NCCN2c3ccccc3[N-]S2(=O)=O)c(Cl)cc1C#N ZINC000461943611 514798197 /nfs/dbraw/zinc/79/81/97/514798197.db2.gz XQQBZMYRBCFFSP-UHFFFAOYSA-N -1 0 363.830 2.504 20 30 FFEDRM CCCCCc1n[n-]c(=NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 ZINC000461987809 514818438 /nfs/dbraw/zinc/81/84/38/514818438.db2.gz RGOBINNWPMFDLF-UHFFFAOYSA-N -1 0 371.466 2.859 20 30 FFEDRM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)cc1)C(=O)[O-] ZINC000475814375 514820833 /nfs/dbraw/zinc/82/08/33/514820833.db2.gz PRUSMUVRQLIDPS-ZDUSSCGKSA-N -1 0 358.419 2.817 20 30 FFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000462080465 514871302 /nfs/dbraw/zinc/87/13/02/514871302.db2.gz VCNXUOKMYTUMOA-LBPRGKRZSA-N -1 0 355.847 2.620 20 30 FFEDRM CCCc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1-c1cccc(F)c1 ZINC000508741253 514880023 /nfs/dbraw/zinc/88/00/23/514880023.db2.gz XHQULXHDARJGQF-UHFFFAOYSA-N -1 0 352.373 2.541 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)c1C#N ZINC000508748108 514882860 /nfs/dbraw/zinc/88/28/60/514882860.db2.gz NITPNSCOSVJVPQ-UHFFFAOYSA-N -1 0 359.389 2.541 20 30 FFEDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000471575987 514936586 /nfs/dbraw/zinc/93/65/86/514936586.db2.gz YKIXXAYQQOKILW-CQSZACIVSA-N -1 0 367.434 2.868 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000485289537 514985124 /nfs/dbraw/zinc/98/51/24/514985124.db2.gz KDPFXWHASGICLJ-UHFFFAOYSA-N -1 0 351.355 2.890 20 30 FFEDRM N#CC(=C([O-])c1ccn(-c2ccc(Br)cc2)n1)c1ccncn1 ZINC000498678939 515022895 /nfs/dbraw/zinc/02/28/95/515022895.db2.gz NWACNXQQWJPZHD-ZDUSSCGKSA-N -1 0 368.194 2.915 20 30 FFEDRM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000476400993 515034774 /nfs/dbraw/zinc/03/47/74/515034774.db2.gz YROVDUZUKUDIHE-UHFFFAOYSA-N -1 0 369.244 2.669 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCc2ccccc2F)c(F)c1 ZINC000481270553 515271720 /nfs/dbraw/zinc/27/17/20/515271720.db2.gz WFENKHKBRZUWKK-UHFFFAOYSA-N -1 0 354.353 2.887 20 30 FFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc(C)n1 ZINC000490722289 515292312 /nfs/dbraw/zinc/29/23/12/515292312.db2.gz LLAIZRIOOUBNIG-CYBMUJFWSA-N -1 0 362.349 2.677 20 30 FFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1C ZINC000499456014 515331406 /nfs/dbraw/zinc/33/14/06/515331406.db2.gz PQAGOKKSKZQDJQ-NSHDSACASA-N -1 0 351.284 2.716 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n(-c2cc(C)ccn2)n1 ZINC000486561192 515537266 /nfs/dbraw/zinc/53/72/66/515537266.db2.gz OZJGZJAVABWGIN-UHFFFAOYSA-N -1 0 367.434 2.865 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(=O)[nH]c(C3CC3)c2)n1 ZINC000473525446 515647080 /nfs/dbraw/zinc/64/70/80/515647080.db2.gz PFZOPGCBCMXGAT-NSHDSACASA-N -1 0 357.391 2.788 20 30 FFEDRM COc1ccc(-n2cc([O-])c(C(=O)N3CCc4ccc(C#N)cc43)n2)cc1 ZINC000500353825 515674417 /nfs/dbraw/zinc/67/44/17/515674417.db2.gz XZNOLPCLKVPIOT-UHFFFAOYSA-N -1 0 360.373 2.661 20 30 FFEDRM CCc1nc2ccc(Cl)cn2c1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000464100952 515710670 /nfs/dbraw/zinc/71/06/70/515710670.db2.gz WTMIGVOWDDUGBC-UHFFFAOYSA-N -1 0 356.817 2.873 20 30 FFEDRM C=CCc1cc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)cc(OC)c1OC ZINC000511070868 515765260 /nfs/dbraw/zinc/76/52/60/515765260.db2.gz WZSPAEIZLMWPLA-JTQLQIEISA-N -1 0 363.439 2.665 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000464418927 515817680 /nfs/dbraw/zinc/81/76/80/515817680.db2.gz DAFCDGCGQJBNSI-UHFFFAOYSA-N -1 0 372.450 2.753 20 30 FFEDRM N#CC(=C([O-])c1cn(Cc2ccccn2)nn1)c1cc(C(F)(F)F)ccn1 ZINC000464475385 515840121 /nfs/dbraw/zinc/84/01/21/515840121.db2.gz VACVXINLZRYHKC-ZDUSSCGKSA-N -1 0 372.310 2.625 20 30 FFEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000511268745 515847628 /nfs/dbraw/zinc/84/76/28/515847628.db2.gz CUNOBUMSDACBAH-UHFFFAOYSA-N -1 0 371.418 2.641 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)cn2)n1 ZINC000478544097 515864567 /nfs/dbraw/zinc/86/45/67/515864567.db2.gz VRQMEEOXHWIHTI-SECBINFHSA-N -1 0 367.333 2.806 20 30 FFEDRM Cc1cn(-c2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2)c(=O)[nH]1 ZINC000478685601 515924281 /nfs/dbraw/zinc/92/42/81/515924281.db2.gz NQHMSDPQECNIBV-UHFFFAOYSA-N -1 0 368.418 2.867 20 30 FFEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2n(c1C#N)CCS2 ZINC000460717110 516229354 /nfs/dbraw/zinc/22/93/54/516229354.db2.gz OXELRVLFCFJCHI-UHFFFAOYSA-N -1 0 354.844 2.623 20 30 FFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000460778344 516247079 /nfs/dbraw/zinc/24/70/79/516247079.db2.gz QGBNWJWEMKFXAE-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM C=C(C)Cn1c(CCOc2ccccc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460808393 516254788 /nfs/dbraw/zinc/25/47/88/516254788.db2.gz IKIHUYXJIPOWNX-UHFFFAOYSA-N -1 0 352.442 2.981 20 30 FFEDRM N#Cc1cccc(-c2nnc(COc3ccc(-c4n[n-]c(=N)o4)cc3)o2)c1 ZINC000461041468 516309548 /nfs/dbraw/zinc/30/95/48/516309548.db2.gz HGYIBGPENHSBEM-UHFFFAOYSA-N -1 0 360.333 2.650 20 30 FFEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC000543860367 516467036 /nfs/dbraw/zinc/46/70/36/516467036.db2.gz XFQIWUGXTFSUCW-UHFFFAOYSA-N -1 0 371.462 2.677 20 30 FFEDRM C[C@@H]1CC[C@](CNS(=O)(=O)c2cc(C#N)ccc2Cl)(CC(=O)[O-])C1 ZINC000547892767 516622823 /nfs/dbraw/zinc/62/28/23/516622823.db2.gz LEVXPIIGDWYJHJ-BDJLRTHQSA-N -1 0 370.858 2.771 20 30 FFEDRM Cc1oc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1S(C)(=O)=O ZINC000528911537 516790202 /nfs/dbraw/zinc/79/02/02/516790202.db2.gz BKKXKEVFSRMRBY-JTQLQIEISA-N -1 0 372.324 2.895 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2csnn2)cc1 ZINC000528918887 516795573 /nfs/dbraw/zinc/79/55/73/516795573.db2.gz KBTVRXXONYXRAO-OAHLLOKOSA-N -1 0 354.435 2.976 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000548197166 516820126 /nfs/dbraw/zinc/82/01/26/516820126.db2.gz XPZVYTNWBUSXIP-UHFFFAOYSA-N -1 0 354.746 2.850 20 30 FFEDRM CN(C)c1ccc(NS(=O)(=O)CC2(C#N)CCCCC2)c(C(=O)[O-])c1 ZINC000548209418 516828371 /nfs/dbraw/zinc/82/83/71/516828371.db2.gz OJWVLOVYNLWWND-UHFFFAOYSA-N -1 0 365.455 2.667 20 30 FFEDRM N#CC1(CS(=O)(=O)N2[C@@H]3CCCC[C@@H]3CC[C@H]2C(=O)[O-])CCCC1 ZINC000548249904 516849663 /nfs/dbraw/zinc/84/96/63/516849663.db2.gz FRNKAMVGDVUEQK-KFWWJZLASA-N -1 0 354.472 2.508 20 30 FFEDRM CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000529008351 516859112 /nfs/dbraw/zinc/85/91/12/516859112.db2.gz FZPPAWBQFAOVSE-UHFFFAOYSA-N -1 0 350.774 2.753 20 30 FFEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4n(n3)CCO4)n2)cc1 ZINC000562163553 516939979 /nfs/dbraw/zinc/93/99/79/516939979.db2.gz HJSDXWIBNBFQLY-CYBMUJFWSA-N -1 0 366.402 2.898 20 30 FFEDRM CCc1nc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1Cl ZINC000544816052 516942843 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956329843 /nfs/dbraw/zinc/32/98/43/956329843.db2.gz LOAHHWUPUMTAOW-UHFFFAOYSA-N -1 0 370.386 2.530 20 30 FFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001594328286 958192485 /nfs/dbraw/zinc/19/24/85/958192485.db2.gz JOIRRGFOAUMZSB-LJQANCHMSA-N -1 0 367.361 2.626 20 30 FFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000124654609 972337091 /nfs/dbraw/zinc/33/70/91/972337091.db2.gz QKTJCSFFZWWLJK-GOSISDBHSA-N -1 0 361.401 2.884 20 30 FFEDRM C=CCC[C@H](NC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000654800020 958958875 /nfs/dbraw/zinc/95/88/75/958958875.db2.gz HGWMMBNHJKWKJJ-WBMJQRKESA-N -1 0 367.396 2.510 20 30 FFEDRM N#CC1(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)c2ccccc2[S-])CCC1 ZINC001271313212 972462853 /nfs/dbraw/zinc/46/28/53/972462853.db2.gz SZCIDVYJMOKCOZ-OSRSDYAFSA-N -1 0 369.490 2.682 20 30 FFEDRM N#CC1(C(=O)N[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])CCCC1 ZINC000872749517 1013256163 /nfs/dbraw/zinc/25/61/63/1013256163.db2.gz IBOGXZKQRFKJNA-CYBMUJFWSA-N -1 0 370.327 2.781 20 30 FFEDRM CN(C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)c1ccc(C#N)cc1 ZINC001126425633 964311953 /nfs/dbraw/zinc/31/19/53/964311953.db2.gz OOTGFULXUNHURM-UHFFFAOYSA-N -1 0 351.284 2.606 20 30 FFEDRM Cc1ncc(C(F)(F)F)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000873498281 1013537266 /nfs/dbraw/zinc/53/72/66/1013537266.db2.gz UFRNRLQVGPNXLH-CQSZACIVSA-N -1 0 371.359 2.663 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)ccc1C#N ZINC000262937960 965944310 /nfs/dbraw/zinc/94/43/10/965944310.db2.gz NBATWGZYWRVLBQ-QGZVFWFLSA-N -1 0 372.446 2.621 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000119724315 966086974 /nfs/dbraw/zinc/08/69/74/966086974.db2.gz QIAUTCXDOBJZSS-ZWKOTPCHSA-N -1 0 356.422 2.626 20 30 FFEDRM CCOC(=O)c1sc(SC)c(C#N)c1Nc1cnn(CC(=O)[O-])c1 ZINC001176265677 1013674273 /nfs/dbraw/zinc/67/42/73/1013674273.db2.gz XSTHYDGWCVRQCV-UHFFFAOYSA-N -1 0 366.424 2.543 20 30 FFEDRM Cc1cc(=O)c(C(=O)Nc2cc(C#N)ccc2[O-])nn1-c1ccccc1F ZINC000176832101 968018586 /nfs/dbraw/zinc/01/85/86/968018586.db2.gz VVXMLOGWBQRRLE-UHFFFAOYSA-N -1 0 364.336 2.510 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(OC)cc2)n1 ZINC000181249061 969749869 /nfs/dbraw/zinc/74/98/69/969749869.db2.gz OJPXQRVVOMCDKC-KRWDZBQOSA-N -1 0 368.437 2.818 20 30 FFEDRM N#CCn1c(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)cc2ccccc21 ZINC000785248549 970439433 /nfs/dbraw/zinc/43/94/33/970439433.db2.gz AFFWOXYGGCCEIS-UHFFFAOYSA-N -1 0 371.393 2.564 20 30 FFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000320393365 970658424 /nfs/dbraw/zinc/65/84/24/970658424.db2.gz DPSZTVGXEPPDOE-SNVBAGLBSA-N -1 0 352.437 2.770 20 30 FFEDRM Cc1c(C)n(Cc2ccco2)c(NC(=O)CS[C@@H](C)C(=O)[O-])c1C#N ZINC001610407102 970738838 /nfs/dbraw/zinc/73/88/38/970738838.db2.gz PNEXJWMERHYDNB-LBPRGKRZSA-N -1 0 361.423 2.763 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C#N ZINC001604971001 972557982 /nfs/dbraw/zinc/55/79/82/972557982.db2.gz HDCNSDHXBMSQKG-ZYHUDNBSSA-N -1 0 359.451 2.735 20 30 FFEDRM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)ccc1O ZINC001271439166 973198021 /nfs/dbraw/zinc/19/80/21/973198021.db2.gz ZRGUHTALHCCNNF-HUUCEWRRSA-N -1 0 361.829 2.555 20 30 FFEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3ccc(Cl)cc3C#N)C2)cn1 ZINC001605488762 973624052 /nfs/dbraw/zinc/62/40/52/973624052.db2.gz LYBVHRDHWALRLW-CABCVRRESA-N -1 0 358.829 2.635 20 30 FFEDRM COCCOc1ccc(C#N)cc1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001604618981 973741346 /nfs/dbraw/zinc/74/13/46/973741346.db2.gz DYMVFQUVQKGDTB-UHFFFAOYSA-N -1 0 355.350 2.926 20 30 FFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(Br)c1 ZINC001605575976 973843285 /nfs/dbraw/zinc/84/32/85/973843285.db2.gz HBNDKOXFCRLVIP-ZDUSSCGKSA-N -1 0 360.167 2.537 20 30 FFEDRM N#Cc1cc(NC(=O)C2(CC(=O)[O-])CCOCC2)ccc1Br ZINC001605591825 973889113 /nfs/dbraw/zinc/88/91/13/973889113.db2.gz BJOZHBBAKRDOAY-UHFFFAOYSA-N -1 0 367.199 2.531 20 30 FFEDRM CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H](C)C(=O)[O-] ZINC001603723627 974155276 /nfs/dbraw/zinc/15/52/76/974155276.db2.gz DMMJHXBNYSUCLN-CYBMUJFWSA-N -1 0 351.834 2.690 20 30 FFEDRM C[C@](CC(=O)[O-])(NC(=O)Cc1cccc(OCC#N)c1)c1cccc(F)c1 ZINC001592289898 977609252 /nfs/dbraw/zinc/60/92/52/977609252.db2.gz JUJKQWOIFFSNSX-HXUWFJFHSA-N -1 0 370.380 2.777 20 30 FFEDRM C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001592546197 978431788 /nfs/dbraw/zinc/43/17/88/978431788.db2.gz JJKPXBMIJPRFPK-CYBMUJFWSA-N -1 0 358.419 2.556 20 30 FFEDRM C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000639825671 979077740 /nfs/dbraw/zinc/07/77/40/979077740.db2.gz PNLJNFZZAYKZNE-ZDUSSCGKSA-N -1 0 373.482 2.578 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001592834167 979573383 /nfs/dbraw/zinc/57/33/83/979573383.db2.gz LQVWCSBDRPEVAP-LBPRGKRZSA-N -1 0 362.389 2.960 20 30 FFEDRM CC[C@](CNC(=O)Nc1cc(C)n(CCC#N)n1)(C(=O)[O-])c1ccccc1 ZINC001595152175 979645923 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FFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cnn(CCC#N)c1C ZINC001595361334 980761167 /nfs/dbraw/zinc/76/11/67/980761167.db2.gz WDCGKGDFTZVFDD-QGZVFWFLSA-N -1 0 354.410 2.783 20 30 FFEDRM CCC1=C(C(=O)C(=O)[O-])[C@H](c2sc(C)nc2C)NC(=O)N1CC1CC1 ZINC001595398066 980968064 /nfs/dbraw/zinc/96/80/64/980968064.db2.gz AVOVCFZGQBPFCK-CYBMUJFWSA-N -1 0 363.439 2.554 20 30 FFEDRM C=CCSc1ccccc1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000909856789 981734429 /nfs/dbraw/zinc/73/44/29/981734429.db2.gz SMOGLMPBBLUIFJ-ZDUSSCGKSA-N -1 0 372.450 2.732 20 30 FFEDRM C=CCCC[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000910917560 982164047 /nfs/dbraw/zinc/16/40/47/982164047.db2.gz CZDIANUZVHPALE-KRWDZBQOSA-N -1 0 373.453 2.856 20 30 FFEDRM C#C[C@@H](C)N(C)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000911385179 982228065 /nfs/dbraw/zinc/22/80/65/982228065.db2.gz PLWMRJDMTHHGKJ-CYBMUJFWSA-N -1 0 353.422 2.600 20 30 FFEDRM CCCCCCCCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001595705344 982284336 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O=C(CCNC(=O)c1ccco1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058035764 984535914 /nfs/dbraw/zinc/53/59/14/984535914.db2.gz BRRKMFDBARMHOD-UHFFFAOYSA-N -1 0 374.418 2.673 20 30 FFEDRM C=CCOc1cccc(NC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000878438059 1015043758 /nfs/dbraw/zinc/04/37/58/1015043758.db2.gz FARZHPFGJACJQD-MRXNPFEDSA-N -1 0 371.359 2.926 20 30 FFEDRM COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2scnc2C2CC2)cc1OC ZINC000760971075 984607280 /nfs/dbraw/zinc/60/72/80/984607280.db2.gz YFJOYPZMMVUSQH-LBPRGKRZSA-N -1 0 371.418 2.999 20 30 FFEDRM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc2c(c1)CCCO2 ZINC000765577506 985205851 /nfs/dbraw/zinc/20/58/51/985205851.db2.gz NXKCSMFMRJQBFK-UHFFFAOYSA-N -1 0 352.398 2.620 20 30 FFEDRM CCO[C@@H]1C[C@](NC(=O)c2cc3ccccc3n2CC#N)(C(=O)[O-])C1(C)C ZINC001596828636 985448731 /nfs/dbraw/zinc/44/87/31/985448731.db2.gz PPMBNRMGQFLUPI-UZLBHIALSA-N -1 0 369.421 2.553 20 30 FFEDRM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000172929552 985716959 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Cc1ccc(-n2ncc(C#N)c2[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC001255411105 1041329161 /nfs/dbraw/zinc/32/91/61/1041329161.db2.gz VXYFFQLKSYOYNV-UHFFFAOYSA-N -1 0 356.382 2.992 20 30 FFEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccccc2F)c(Br)c1 ZINC001255410699 1041329504 /nfs/dbraw/zinc/32/95/04/1041329504.db2.gz IVMPPTKBERQTKG-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM N#Cc1ccccc1N1CCCN(C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC001262252930 1041616588 /nfs/dbraw/zinc/61/65/88/1041616588.db2.gz DAPSFNYAUFHKQK-UHFFFAOYSA-N -1 0 357.360 2.895 20 30 FFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001263415094 1042293878 /nfs/dbraw/zinc/29/38/78/1042293878.db2.gz RNTXAHPMAGJFJJ-AWEZNQCLSA-N -1 0 352.442 2.810 20 30 FFEDRM CC1(C)CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)C1 ZINC001263676680 1042431869 /nfs/dbraw/zinc/43/18/69/1042431869.db2.gz UKONUDWNQKITHI-UHFFFAOYSA-N -1 0 352.442 2.954 20 30 FFEDRM N#C/N=C1\SCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1 ZINC001239247253 1044085716 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FFEDRM CCc1ccc(-c2nnc(S(=O)(=O)Cc3cccc(C#N)c3)[n-]2)cc1 ZINC001320880527 1045487055 /nfs/dbraw/zinc/48/70/55/1045487055.db2.gz OIEUTVIFPPMBAY-UHFFFAOYSA-N -1 0 352.419 2.880 20 30 FFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1 ZINC001323495703 1045611540 /nfs/dbraw/zinc/61/15/40/1045611540.db2.gz ISUMJDBCDCYHNP-UHFFFAOYSA-N -1 0 369.446 2.789 20 30 FFEDRM CCOc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001323555020 1045637117 /nfs/dbraw/zinc/63/71/17/1045637117.db2.gz JYPSXKUAWFVVKE-UHFFFAOYSA-N -1 0 364.810 2.729 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001325960336 1046699228 /nfs/dbraw/zinc/69/92/28/1046699228.db2.gz LSULVVWWXBCJCS-UHFFFAOYSA-N -1 0 374.384 2.733 20 30 FFEDRM CCc1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1Cc1ccc(C)cc1 ZINC001293005113 1049460654 /nfs/dbraw/zinc/46/06/54/1049460654.db2.gz YTRAIUBBXLEHFS-UHFFFAOYSA-N -1 0 374.448 2.732 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001294459844 1049751098 /nfs/dbraw/zinc/75/10/98/1049751098.db2.gz YPSYGEAUOXUJCL-VDBVYFBLSA-N -1 0 357.435 2.538 20 30 FFEDRM CC/C=C(/F)C(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001300829280 1050756665 /nfs/dbraw/zinc/75/66/65/1050756665.db2.gz UXYMQSZITMFXHE-ROAAPQQCSA-N -1 0 364.261 2.850 20 30 FFEDRM N#Cc1ccc(Nc2cccc(C(=O)NCCCc3c[nH][nH]c3=O)c2)cc1 ZINC001301562003 1050922052 /nfs/dbraw/zinc/92/20/52/1050922052.db2.gz QGFRIQLYVVKWJU-INIZCTEOSA-N -1 0 361.405 2.544 20 30 FFEDRM O=C(NCC#C[C@@H]1CCCCO1)c1cc(Br)cc(F)c1[O-] ZINC001305026433 1051782593 /nfs/dbraw/zinc/78/25/93/1051782593.db2.gz HVRMDYGOYJMMES-NSHDSACASA-N -1 0 356.191 2.596 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nn(C)c(C)c1Br ZINC001343472943 1052253500 /nfs/dbraw/zinc/25/35/00/1052253500.db2.gz DNTNPTPUKAMYNY-NSHDSACASA-N -1 0 369.263 2.510 20 30 FFEDRM CCn1[n-]cc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccs2)c1=O ZINC001343643444 1052352565 /nfs/dbraw/zinc/35/25/65/1052352565.db2.gz IVSBJRSULBWMMY-GFCCVEGCSA-N -1 0 371.470 2.573 20 30 FFEDRM Cn1nc(C2CC2)cc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC001345873854 1052651674 /nfs/dbraw/zinc/65/16/74/1052651674.db2.gz QLHUSVQPIPTAOS-CQSZACIVSA-N -1 0 356.813 2.590 20 30 FFEDRM CC1(C)CNC(=O)c2c(C([O-])=C(C#N)c3ncc(F)cc3F)coc2C1 ZINC001346000202 1052701649 /nfs/dbraw/zinc/70/16/49/1052701649.db2.gz OUIPOJJPSKYAOY-JTQLQIEISA-N -1 0 359.332 2.755 20 30 FFEDRM C[C@@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)c1ccc(CC#N)cc1 ZINC001344452784 1052777803 /nfs/dbraw/zinc/77/78/03/1052777803.db2.gz FDQMXDYBCBOFPE-AWEZNQCLSA-N -1 0 364.467 2.797 20 30 FFEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cccc(F)n1 ZINC001344596585 1052852502 /nfs/dbraw/zinc/85/25/02/1052852502.db2.gz PQUCWIXTXCFKDN-NSHDSACASA-N -1 0 351.297 2.805 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001335168706 1053242848 /nfs/dbraw/zinc/24/28/48/1053242848.db2.gz FKXCRAOUFKGGTD-UHFFFAOYSA-N -1 0 368.764 2.968 20 30 FFEDRM C=CC[C@H](NC(=O)NCCCc1ccc(Br)cc1F)C(=O)[O-] ZINC001348024132 1054569887 /nfs/dbraw/zinc/56/98/87/1054569887.db2.gz PRLBPMICTQLMJS-ZDUSSCGKSA-N -1 0 373.222 2.849 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001337218137 1054570690 /nfs/dbraw/zinc/57/06/90/1054570690.db2.gz IMPAGROFXSUTKI-IXDOHACOSA-N -1 0 358.438 2.570 20 30 FFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1)c1ccccc1 ZINC001348315294 1054627619 /nfs/dbraw/zinc/62/76/19/1054627619.db2.gz JXCCNVSHUZWOAO-CHWSQXEVSA-N -1 0 360.364 2.948 20 30 FFEDRM C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)C1 ZINC001348422192 1054683888 /nfs/dbraw/zinc/68/38/88/1054683888.db2.gz FNPCFAHAKYPMPU-CYBMUJFWSA-N -1 0 361.419 2.504 20 30 FFEDRM C[C@@H]1CC[C@H](C)N(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)C1 ZINC001348145678 1054696563 /nfs/dbraw/zinc/69/65/63/1054696563.db2.gz PJDUTUWLQGGMSC-OLZOCXBDSA-N -1 0 352.442 2.952 20 30 FFEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001351760268 1054986250 /nfs/dbraw/zinc/98/62/50/1054986250.db2.gz HPILVBSICLEJQH-HNNXBMFYSA-N -1 0 350.426 2.564 20 30 FFEDRM N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(F)c1Br ZINC001337868535 1055073148 /nfs/dbraw/zinc/07/31/48/1055073148.db2.gz SCTZOBFZHFVOMI-VIFPVBQESA-N -1 0 366.194 2.668 20 30 FFEDRM CCc1ccc(C#CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC001300042291 1055556683 /nfs/dbraw/zinc/55/66/83/1055556683.db2.gz ALNRKYCAXBNSBN-BBRMVZONSA-N -1 0 366.383 2.659 20 30 FFEDRM CC(C)(C)C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1 ZINC001544012061 1071581729 /nfs/dbraw/zinc/58/17/29/1071581729.db2.gz GTDKJCWOLBPIOH-INIZCTEOSA-N -1 0 368.437 2.504 20 30 FFEDRM Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001350599721 1055856581 /nfs/dbraw/zinc/85/65/81/1055856581.db2.gz VLJLHIARYHFWND-LJQANCHMSA-N -1 0 364.384 2.529 20 30 FFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)C1Cc2ccccc2C1 ZINC001338851060 1055870726 /nfs/dbraw/zinc/87/07/26/1055870726.db2.gz HKTRLSAQPJMIQN-UHFFFAOYSA-N -1 0 364.453 2.657 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2c(F)cccc2-n2cccn2)cc1C#N ZINC001353095600 1056070113 /nfs/dbraw/zinc/07/01/13/1056070113.db2.gz NTGXGHUPDRJIAW-UHFFFAOYSA-N -1 0 369.381 2.958 20 30 FFEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)n1 ZINC000847691132 1056372989 /nfs/dbraw/zinc/37/29/89/1056372989.db2.gz PYXKIXPGKFPBSH-ZDUSSCGKSA-N -1 0 360.364 2.555 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC001443719448 1058233988 /nfs/dbraw/zinc/23/39/88/1058233988.db2.gz VQPIYTRCDHETRF-HNNXBMFYSA-N -1 0 350.403 2.943 20 30 FFEDRM CCN(CC1CCC1)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001518284475 1058330257 /nfs/dbraw/zinc/33/02/57/1058330257.db2.gz VVHJBLAOZAROPP-UHFFFAOYSA-N -1 0 352.442 2.954 20 30 FFEDRM C=CC[C@H](NC(=O)c1cc2sc(N3CCCC3)nc2s1)C(=O)[O-] ZINC001354046982 1058525747 /nfs/dbraw/zinc/52/57/47/1058525747.db2.gz IGMJZSOHLHASGO-VIFPVBQESA-N -1 0 351.453 2.717 20 30 FFEDRM C=CCOc1ccc(CNC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC001449224924 1058879034 /nfs/dbraw/zinc/87/90/34/1058879034.db2.gz MRTJCJXMVOBLIF-UHFFFAOYSA-N -1 0 351.362 2.525 20 30 FFEDRM C=C(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC001449955090 1058955672 /nfs/dbraw/zinc/95/56/72/1058955672.db2.gz UUFZSZIMIKULHH-UHFFFAOYSA-N -1 0 366.464 2.951 20 30 FFEDRM COc1ccc(-n2c(C)cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c2C)cc1 ZINC001452528350 1059240893 /nfs/dbraw/zinc/24/08/93/1059240893.db2.gz RDJRMGHEGQQKCH-UHFFFAOYSA-N -1 0 360.377 2.822 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc(Br)c(C)c1 ZINC001515319727 1059544078 /nfs/dbraw/zinc/54/40/78/1059544078.db2.gz XZEJACYSWSIOHK-GFCCVEGCSA-N -1 0 352.232 2.781 20 30 FFEDRM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)c1 ZINC001454683680 1059607142 /nfs/dbraw/zinc/60/71/42/1059607142.db2.gz RAFFRMBIEXFPPS-HNNXBMFYSA-N -1 0 359.744 2.954 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(O)cc3O)cc2[n-]c1=S ZINC001455296969 1059748686 /nfs/dbraw/zinc/74/86/86/1059748686.db2.gz QWYJBTMWTVJTCH-UHFFFAOYSA-N -1 0 369.402 2.535 20 30 FFEDRM C#CCOc1ccc(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cc1 ZINC001456314227 1060086775 /nfs/dbraw/zinc/08/67/75/1060086775.db2.gz HAMZSKIMAJIFRS-UHFFFAOYSA-N -1 0 366.295 2.722 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000848797990 1060722708 /nfs/dbraw/zinc/72/27/08/1060722708.db2.gz DSDOKLCVYLAQCV-HNNXBMFYSA-N -1 0 352.390 2.528 20 30 FFEDRM N#Cc1cc(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)co1 ZINC001462008071 1061475216 /nfs/dbraw/zinc/47/52/16/1061475216.db2.gz LEXSEKDAPNHDNU-UHFFFAOYSA-N -1 0 355.247 2.721 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc3c2OCCCO3)cc1C#N ZINC001462370384 1061597671 /nfs/dbraw/zinc/59/76/71/1061597671.db2.gz GCFTZRXZWOOPJL-UHFFFAOYSA-N -1 0 357.391 2.794 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)cc1C#N ZINC001545697500 1062288260 /nfs/dbraw/zinc/28/82/60/1062288260.db2.gz OVBDYLQRKFNUFP-LLVKDONJSA-N -1 0 357.435 2.790 20 30 FFEDRM COC(=O)[C@H](C)c1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC001525187049 1063189768 /nfs/dbraw/zinc/18/97/68/1063189768.db2.gz JKINAUGJWFAJHN-SNVBAGLBSA-N -1 0 371.418 2.910 20 30 FFEDRM COc1cc(N)c(C(=O)Nc2cc(C#N)ccc2[O-])cc1Br ZINC001466538118 1063471146 /nfs/dbraw/zinc/47/11/46/1063471146.db2.gz SEPNXZULDGNFSB-UHFFFAOYSA-N -1 0 362.183 2.869 20 30 FFEDRM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001466969799 1063608001 /nfs/dbraw/zinc/60/80/01/1063608001.db2.gz DWLYFFVTBURJHL-HXUWFJFHSA-N -1 0 353.422 2.771 20 30 FFEDRM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nccc(C(F)(F)F)n1 ZINC001469044453 1064082569 /nfs/dbraw/zinc/08/25/69/1064082569.db2.gz AYFGCIZQFCRMKQ-UHFFFAOYSA-N -1 0 356.254 2.775 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC001469611773 1064179661 /nfs/dbraw/zinc/17/96/61/1064179661.db2.gz HUXHYICYALXKSQ-FUHWJXTLSA-N -1 0 351.406 2.696 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575190455 1078115570 /nfs/dbraw/zinc/11/55/70/1078115570.db2.gz SJYYWESGXVHVCK-MRVPVSSYSA-N -1 0 373.829 2.666 20 30 FFEDRM C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(Oc2ccccc2)cc1 ZINC001472685611 1065128371 /nfs/dbraw/zinc/12/83/71/1065128371.db2.gz NGOCRVYNLLISPB-ZDUSSCGKSA-N -1 0 362.389 2.911 20 30 FFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC001472818820 1065151677 /nfs/dbraw/zinc/15/16/77/1065151677.db2.gz AIDYBQVKWLJTGC-ONGXEEELSA-N -1 0 356.304 2.502 20 30 FFEDRM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)o1 ZINC001474853426 1065627441 /nfs/dbraw/zinc/62/74/41/1065627441.db2.gz URBOZKAWJGGENO-HZMBPMFUSA-N -1 0 361.379 2.661 20 30 FFEDRM Cc1cc(C(=O)Nc2nc(Cl)c(-c3nnn[n-]3)s2)cc(C)c1C#N ZINC001580887604 1078886816 /nfs/dbraw/zinc/88/68/16/1078886816.db2.gz YXGIDYXFDGAHBA-UHFFFAOYSA-N -1 0 359.802 2.717 20 30 FFEDRM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc3ccccc3cc2C#N)cn1 ZINC001584892282 1079401786 /nfs/dbraw/zinc/40/17/86/1079401786.db2.gz KJCZGRLYEIVWEG-UHFFFAOYSA-N -1 0 366.402 2.730 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC001556391535 1075736534 /nfs/dbraw/zinc/73/65/34/1075736534.db2.gz NFEZXPSBYKPGTF-UHFFFAOYSA-N -1 0 365.437 2.520 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc3cccnc3c2O)cc1C#N ZINC001557122489 1075811005 /nfs/dbraw/zinc/81/10/05/1075811005.db2.gz RPYUFPAMLWBTSG-UHFFFAOYSA-N -1 0 366.402 2.565 20 30 FFEDRM O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1nccc(Br)c1[O-] ZINC001557774744 1075887979 /nfs/dbraw/zinc/88/79/79/1075887979.db2.gz ODXUIGFHWOJBNB-UTCJRWHESA-N -1 0 365.158 2.910 20 30 FFEDRM C=CCNc1ncc(C(=O)Nc2nccc(Br)c2[O-])s1 ZINC001557774704 1075888002 /nfs/dbraw/zinc/88/80/02/1075888002.db2.gz NJBOVCRIAJLKIT-UHFFFAOYSA-N -1 0 355.217 2.856 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001557960363 1075918439 /nfs/dbraw/zinc/91/84/39/1075918439.db2.gz LNAURDUBLGTGFB-INIZCTEOSA-N -1 0 364.405 2.533 20 30 FFEDRM Cc1cc(NC(=O)N[C@H]2CCCN(O)C2=O)cc(C)c1Br ZINC001562755853 1076515322 /nfs/dbraw/zinc/51/53/22/1076515322.db2.gz GWGAGWVLUAKVEI-NSHDSACASA-N -1 0 356.220 2.568 20 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1077669616 /nfs/dbraw/zinc/66/96/16/1077669616.db2.gz MTFUEBCRSMAZSH-MGPQQGTHSA-N -1 0 354.447 2.606 20 30 FFEDRM C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC001573320988 1077669622 /nfs/dbraw/zinc/66/96/22/1077669622.db2.gz QKHSWOBPLSPEJJ-INIZCTEOSA-N -1 0 350.418 2.624 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001573332008 1077672405 /nfs/dbraw/zinc/67/24/05/1077672405.db2.gz GRRCBSBAORIAHK-UKRRQHHQSA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001573357261 1077681285 /nfs/dbraw/zinc/68/12/85/1077681285.db2.gz KOQRARIGUXEFOZ-LPMFXHHGSA-N -1 0 366.458 2.702 20 30 FFEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001573363696 1077683795 /nfs/dbraw/zinc/68/37/95/1077683795.db2.gz LDARXGRDZZMFBB-SECBINFHSA-N -1 0 366.299 2.681 20 30 FFEDRM C=CCc1ccc(OCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c(OC)c1 ZINC001573379181 1077688003 /nfs/dbraw/zinc/68/80/03/1077688003.db2.gz WXCCRXIHHZHWKV-IIBYNOLFSA-N -1 0 373.449 2.906 20 30 FFEDRM C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573378936 1077688019 /nfs/dbraw/zinc/68/80/19/1077688019.db2.gz NWXYXPZXRUOFPO-UHFFFAOYSA-N -1 0 370.453 2.961 20 30 FFEDRM Cc1oc(NC(=O)[C@H](C)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(C#N)c1C ZINC001574444182 1077989478 /nfs/dbraw/zinc/98/94/78/1077989478.db2.gz WWZXFLFJZUAJMU-SJCJKPOMSA-N -1 0 367.405 2.779 20 30 FFEDRM N#C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001574475271 1077998734 /nfs/dbraw/zinc/99/87/34/1077998734.db2.gz ZBNYOYKDXANFNC-CWSCBRNRSA-N -1 0 371.220 2.944 20 30 FFEDRM N#Cc1cc(Br)ccc1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001574479860 1077999251 /nfs/dbraw/zinc/99/92/51/1077999251.db2.gz OYCQABKRDVBKNA-INIZCTEOSA-N -1 0 373.206 2.805 20 30 FFEDRM N#Cc1cc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c(F)c1 ZINC001574485674 1078000528 /nfs/dbraw/zinc/00/05/28/1078000528.db2.gz JXHDQPBWWGHUIX-UHFFFAOYSA-N -1 0 364.329 2.921 20 30 FFEDRM N#Cc1ccc(N2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)c(Cl)c1 ZINC001574487780 1078000861 /nfs/dbraw/zinc/00/08/61/1078000861.db2.gz HFLMTOJLQXKEJL-UHFFFAOYSA-N -1 0 361.829 2.505 20 30 FFEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nccc(Br)c2[O-])cc1 ZINC001586414733 1079622934 /nfs/dbraw/zinc/62/29/34/1079622934.db2.gz FKOQNSSRKYAXQX-GFCCVEGCSA-N -1 0 371.194 2.742 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)OCC ZINC001587286056 1079769078 /nfs/dbraw/zinc/76/90/78/1079769078.db2.gz SCFYDVAKXOCUPU-NSHDSACASA-N -1 0 354.815 2.921 20 30 FFEDRM C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588371060 1079995508 /nfs/dbraw/zinc/99/55/08/1079995508.db2.gz VBAJJYQLZHSOKB-OAHLLOKOSA-N -1 0 374.755 2.607 20 30 FFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001588376865 1079998988 /nfs/dbraw/zinc/99/89/88/1079998988.db2.gz YUGAAYNTDYAYOL-MRXNPFEDSA-N -1 0 363.822 2.999 20 30 FFEDRM C#CC[C@@H](CC)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1C[C@@H]1CCCO1 ZINC001588389785 1080001645 /nfs/dbraw/zinc/00/16/45/1080001645.db2.gz ATLJAFCLRPCFMI-NCOADZHNSA-N -1 0 374.485 2.521 20 30 FFEDRM C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588394139 1080007738 /nfs/dbraw/zinc/00/77/38/1080007738.db2.gz ITDBSVMVMCOJHI-MRXNPFEDSA-N -1 0 357.431 2.606 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC001588399604 1080010463 /nfs/dbraw/zinc/01/04/63/1080010463.db2.gz NAYXVZQHCHBZGY-CQSZACIVSA-N -1 0 369.446 2.853 20 30 FFEDRM C#CCCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001588442278 1080028357 /nfs/dbraw/zinc/02/83/57/1080028357.db2.gz QHIKUGFTRZWYIF-UHFFFAOYSA-N -1 0 357.193 2.550 20 30 FFEDRM C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588446181 1080029481 /nfs/dbraw/zinc/02/94/81/1080029481.db2.gz CGQKNQGSLZBIRD-OAHLLOKOSA-N -1 0 356.426 2.951 20 30 FFEDRM C#CCCCc1nnc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1CC ZINC001588447211 1080030237 /nfs/dbraw/zinc/03/02/37/1080030237.db2.gz SRBXRRWFDNYGJU-UHFFFAOYSA-N -1 0 373.482 2.793 20 30 FFEDRM C#CCO[C@H](C)C(=O)N(c1ccc(Br)cc1C)[C@H](C)C(=O)[O-] ZINC001588490692 1080051366 /nfs/dbraw/zinc/05/13/66/1080051366.db2.gz VOBCEHLDNOEZQC-VXGBXAGGSA-N -1 0 368.227 2.602 20 30 FFEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588503954 1080061659 /nfs/dbraw/zinc/06/16/59/1080061659.db2.gz AKEADTWLSJGOEP-UHFFFAOYSA-N -1 0 360.316 2.997 20 30 FFEDRM C#Cc1ccccc1CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001588528610 1080080353 /nfs/dbraw/zinc/08/03/53/1080080353.db2.gz COWOEGDDWHSHJF-UHFFFAOYSA-N -1 0 351.402 2.770 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001588538007 1080085685 /nfs/dbraw/zinc/08/56/85/1080085685.db2.gz BYECQJZAOCLADA-VLXJIEOASA-N -1 0 354.410 2.710 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)[O-] ZINC001588543276 1080089629 /nfs/dbraw/zinc/08/96/29/1080089629.db2.gz ZPKJJGSKTFZZBT-OAHLLOKOSA-N -1 0 373.405 2.578 20 30 FFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001588562652 1080097728 /nfs/dbraw/zinc/09/77/28/1080097728.db2.gz DCTPSTSKYYAVQB-UHFFFAOYSA-N -1 0 370.405 2.666 20 30 FFEDRM C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588563151 1080097968 /nfs/dbraw/zinc/09/79/68/1080097968.db2.gz MYDLVZLUOQSIGK-ZDUSSCGKSA-N -1 0 351.472 2.711 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588578302 1080106028 /nfs/dbraw/zinc/10/60/28/1080106028.db2.gz BWCVOCRKXBVLEC-LJQANCHMSA-N -1 0 369.400 2.590 20 30 FFEDRM C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588578428 1080106046 /nfs/dbraw/zinc/10/60/46/1080106046.db2.gz HDVHKASQMNFBGT-CYBMUJFWSA-N -1 0 358.446 2.572 20 30 FFEDRM C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588578536 1080106615 /nfs/dbraw/zinc/10/66/15/1080106615.db2.gz LLNYDWFOLAGCGJ-UHFFFAOYSA-N -1 0 356.426 2.831 20 30 FFEDRM C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588579069 1080107247 /nfs/dbraw/zinc/10/72/47/1080107247.db2.gz SVOJHPFLEQLWHK-SFHVURJKSA-N -1 0 371.397 2.730 20 30 FFEDRM C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588589242 1080112701 /nfs/dbraw/zinc/11/27/01/1080112701.db2.gz KFBVFPKXYIQZOB-SMDDNHRTSA-N -1 0 359.430 2.673 20 30 FFEDRM C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588589474 1080113282 /nfs/dbraw/zinc/11/32/82/1080113282.db2.gz OFTOKPFLKMBXCZ-LJQANCHMSA-N -1 0 371.441 2.996 20 30 FFEDRM C=C(C)Cn1c(-c2ncccn2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588589445 1080113491 /nfs/dbraw/zinc/11/34/91/1080113491.db2.gz NPMHIMHJFWQBFE-AWEZNQCLSA-N -1 0 370.457 2.638 20 30 FFEDRM C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588591247 1080114471 /nfs/dbraw/zinc/11/44/71/1080114471.db2.gz HAYAAKPJXMIVJC-BEFAXECRSA-N -1 0 362.474 2.769 20 30 FFEDRM C=C(CC)C(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001588605357 1080121895 /nfs/dbraw/zinc/12/18/95/1080121895.db2.gz AZEZZNJWPXLNKU-MRXNPFEDSA-N -1 0 352.228 2.844 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001588615196 1080122578 /nfs/dbraw/zinc/12/25/78/1080122578.db2.gz MHLBNCMKRTXYRQ-GJZGRUSLSA-N -1 0 366.458 2.655 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001588618903 1080124165 /nfs/dbraw/zinc/12/41/65/1080124165.db2.gz DYRNKGLDXYCNKC-AWEZNQCLSA-N -1 0 355.337 2.609 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)OC ZINC001588623574 1080124751 /nfs/dbraw/zinc/12/47/51/1080124751.db2.gz SOFCDUQRDYQRPG-GOSISDBHSA-N -1 0 369.417 2.709 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC001588622269 1080125062 /nfs/dbraw/zinc/12/50/62/1080125062.db2.gz SUJNXAHXAPTTRG-RDJZCZTQSA-N -1 0 359.422 2.575 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC001588634490 1080129687 /nfs/dbraw/zinc/12/96/87/1080129687.db2.gz VWQLUMKISJJJIG-UHFFFAOYSA-N -1 0 366.830 2.979 20 30 FFEDRM C=C[C@@H](COC)NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588693256 1080158495 /nfs/dbraw/zinc/15/84/95/1080158495.db2.gz UZBCNAFNWYJIJJ-LBPRGKRZSA-N -1 0 357.366 2.895 20 30 FFEDRM C=CC1(CC(=O)NC2CCC(C(=O)[O-])CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588719117 1080169717 /nfs/dbraw/zinc/16/97/17/1080169717.db2.gz LIOJFGXCPFQBKA-UHFFFAOYSA-N -1 0 366.458 2.559 20 30 FFEDRM C=CC[C@@H](OC(=O)CCc1nc(=O)c2c(C)c(C)sc2[nH]1)C(=O)[O-] ZINC001588753278 1080180838 /nfs/dbraw/zinc/18/08/38/1080180838.db2.gz DVQOCCINKACIFV-SNVBAGLBSA-N -1 0 350.396 2.519 20 30 FFEDRM C=CC[C@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)[O-] ZINC001588758898 1080182940 /nfs/dbraw/zinc/18/29/40/1080182940.db2.gz LRYZENKNEHANIZ-HNNXBMFYSA-N -1 0 359.451 2.583 20 30 FFEDRM C=CCC1(COC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CCOCC1 ZINC001588766971 1080185507 /nfs/dbraw/zinc/18/55/07/1080185507.db2.gz AZJRPHWTHLSMOL-UHFFFAOYSA-N -1 0 363.410 2.683 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001588771547 1080188290 /nfs/dbraw/zinc/18/82/90/1080188290.db2.gz XFPQDLMMDDDWPC-RHSMWYFYSA-N -1 0 374.437 2.730 20 30 FFEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2COC)C1 ZINC001588772220 1080189845 /nfs/dbraw/zinc/18/98/45/1080189845.db2.gz AQTZIIKGDRTCFL-ZDUSSCGKSA-N -1 0 353.440 2.508 20 30 FFEDRM C=CCCC(C)(C)NC(=O)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588777757 1080191637 /nfs/dbraw/zinc/19/16/37/1080191637.db2.gz IZQREKZEDWAAJY-UHFFFAOYSA-N -1 0 356.781 2.977 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cnn(CC3CCC3)c2)o1 ZINC001588781206 1080193082 /nfs/dbraw/zinc/19/30/82/1080193082.db2.gz LUTRWVQEVPVZJW-UHFFFAOYSA-N -1 0 369.433 2.811 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)c(O)c2)o1 ZINC001588781483 1080193525 /nfs/dbraw/zinc/19/35/25/1080193525.db2.gz DRMDLPNNVSTDBN-UHFFFAOYSA-N -1 0 359.365 2.734 20 30 FFEDRM C=CCCC1(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001588782139 1080193749 /nfs/dbraw/zinc/19/37/49/1080193749.db2.gz QUARKYVVRKEGDK-UHFFFAOYSA-N -1 0 367.467 2.955 20 30 FFEDRM C=CCC[C@@H]1NC(=O)N(c2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1=O ZINC001588782616 1080195119 /nfs/dbraw/zinc/19/51/19/1080195119.db2.gz WRAHVWNTFODODT-HNNXBMFYSA-N -1 0 357.410 2.766 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC)C(=O)[O-] ZINC001588789744 1080196537 /nfs/dbraw/zinc/19/65/37/1080196537.db2.gz ITROPGOCNBQSEH-ILXRZTDVSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C(=O)[O-] ZINC001588792858 1080198833 /nfs/dbraw/zinc/19/88/33/1080198833.db2.gz ONMRDWGZLRCJOE-CYBMUJFWSA-N -1 0 358.354 2.524 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC001588793612 1080198920 /nfs/dbraw/zinc/19/89/20/1080198920.db2.gz UMKQJUZWLURQSG-ZDUSSCGKSA-N -1 0 363.414 2.968 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC001588793844 1080198967 /nfs/dbraw/zinc/19/89/67/1080198967.db2.gz DAZFWHGEUADVAX-UONOGXRCSA-N -1 0 356.463 2.948 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cn(C(C)(C)C)nc1Br)C(=O)[O-] ZINC001588793666 1080198990 /nfs/dbraw/zinc/19/89/90/1080198990.db2.gz WFYMLVMVHURYOZ-NSHDSACASA-N -1 0 372.263 2.940 20 30 FFEDRM C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588813238 1080204909 /nfs/dbraw/zinc/20/49/09/1080204909.db2.gz KOCQYWSOBYMPIY-HNNXBMFYSA-N -1 0 364.490 2.760 20 30 FFEDRM C=CCCn1cc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])nn1 ZINC001588817158 1080206471 /nfs/dbraw/zinc/20/64/71/1080206471.db2.gz BDUQDQXLTUUEDD-OAHLLOKOSA-N -1 0 373.438 2.541 20 30 FFEDRM C=CCN(C(=O)c1ccc(C(=O)[O-])[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820828 1080207223 /nfs/dbraw/zinc/20/72/23/1080207223.db2.gz VDAWCSJLLKFAHV-QGZVFWFLSA-N -1 0 370.405 2.516 20 30 FFEDRM C=CCCn1cc(CN[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nn1 ZINC001588819792 1080207379 /nfs/dbraw/zinc/20/73/79/1080207379.db2.gz BZVPXQUTXAJBIY-CQSZACIVSA-N -1 0 354.332 2.946 20 30 FFEDRM C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588822420 1080208196 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1080309688 /nfs/dbraw/zinc/30/96/88/1080309688.db2.gz ACRMTVCNKLPECM-UHFFFAOYSA-N -1 0 362.426 2.730 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC001589035889 1080317726 /nfs/dbraw/zinc/31/77/26/1080317726.db2.gz ADJJHXNWFLFFNZ-UHFFFAOYSA-N -1 0 364.384 2.737 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2csc([N+](=O)[O-])c2)o1 ZINC001589238073 1080440510 /nfs/dbraw/zinc/44/05/10/1080440510.db2.gz NVYSCLZGGXJPPY-UHFFFAOYSA-N -1 0 362.375 2.568 20 30 FFEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001589341871 1080490530 /nfs/dbraw/zinc/49/05/30/1080490530.db2.gz ODFBUJKSSVYDLJ-OAHLLOKOSA-N -1 0 366.421 2.547 20 30 FFEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C#N)cc1 ZINC001589557412 1080604946 /nfs/dbraw/zinc/60/49/46/1080604946.db2.gz CKCDTKRLKYKDTK-OAHLLOKOSA-N -1 0 366.483 2.969 20 30 FFEDRM CC(C)(C#N)c1nnc(N2CCc3cc(C(=O)[O-])ccc3C2)n1CC1CC1 ZINC001589560397 1080605831 /nfs/dbraw/zinc/60/58/31/1080605831.db2.gz 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CC(C)c1csc(C(C#N)=C([O-])c2ccc(CS(C)(=O)=O)o2)n1 ZINC000080454509 508074580 /nfs/dbraw/zinc/07/45/80/508074580.db2.gz KWPOLRHBLCHFBM-NSHDSACASA-N -1 0 352.437 2.894 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCN(C(=O)C(C)C)CC2)c(C)c1 ZINC000075796830 508134169 /nfs/dbraw/zinc/13/41/69/508134169.db2.gz RDEVDLPEFGAZQH-UHFFFAOYSA-N -1 0 366.483 2.843 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)cn1 ZINC000111995646 508142816 /nfs/dbraw/zinc/14/28/16/508142816.db2.gz GFBUIPLCRGRDKM-UHFFFAOYSA-N -1 0 352.375 2.941 20 30 FFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000076761484 508251779 /nfs/dbraw/zinc/25/17/79/508251779.db2.gz RKBFVIQKHFKHHP-GOSISDBHSA-N -1 0 361.467 2.877 20 30 FFEDRM Cc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000135579160 508626422 /nfs/dbraw/zinc/62/64/22/508626422.db2.gz NDHBOFMHQZZGFL-UHFFFAOYSA-N -1 0 371.397 2.528 20 30 FFEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C(C)(C)C)cc3C#N)ccc2O1 ZINC000123212063 508652768 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N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000120141257 508936986 /nfs/dbraw/zinc/93/69/86/508936986.db2.gz BAMYUALBHKGUPF-UHFFFAOYSA-N -1 0 350.709 2.754 20 30 FFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc(C(F)(F)F)ccc1C#N ZINC000160647085 509014035 /nfs/dbraw/zinc/01/40/35/509014035.db2.gz JTVHHARNJIHWTP-UHFFFAOYSA-N -1 0 365.340 2.906 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCOc3ccccc32)cc1C#N ZINC000156139222 509132801 /nfs/dbraw/zinc/13/28/01/509132801.db2.gz JUCULQSIUJNQAY-AWEZNQCLSA-N -1 0 355.419 2.612 20 30 FFEDRM C=CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CCC1 ZINC000191830010 509201861 /nfs/dbraw/zinc/20/18/61/509201861.db2.gz XLXJTTVBLAXMAU-UHFFFAOYSA-N -1 0 372.450 2.962 20 30 FFEDRM N#C[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C1CC1 ZINC000182410160 509223170 /nfs/dbraw/zinc/22/31/70/509223170.db2.gz GGKNBCPFVHHXDF-SNVBAGLBSA-N -1 0 374.032 2.949 20 30 FFEDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000182738312 509402745 /nfs/dbraw/zinc/40/27/45/509402745.db2.gz NRSCYOFVMSLCKT-UHFFFAOYSA-N -1 0 356.812 2.861 20 30 FFEDRM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000186429396 509703756 /nfs/dbraw/zinc/70/37/56/509703756.db2.gz SSKXXRAETVUKKU-SSDOTTSWSA-N -1 0 353.188 2.698 20 30 FFEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186542474 509761457 /nfs/dbraw/zinc/76/14/57/509761457.db2.gz NZIPKJKVTYKNDG-UHFFFAOYSA-N -1 0 364.736 2.771 20 30 FFEDRM COc1c(F)cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1[N+](=O)[O-] ZINC000193356644 509878033 /nfs/dbraw/zinc/87/80/33/509878033.db2.gz MSOACBINBVXDAU-UHFFFAOYSA-N -1 0 365.342 2.609 20 30 FFEDRM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000171012999 509890273 /nfs/dbraw/zinc/89/02/73/509890273.db2.gz PJZOOFUHOOKMPG-UHFFFAOYSA-N -1 0 352.213 2.825 20 30 FFEDRM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186926479 509955753 /nfs/dbraw/zinc/95/57/53/509955753.db2.gz HZCCVOKOSDQXAP-UHFFFAOYSA-N -1 0 363.826 2.714 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cn1 ZINC000171150434 509970422 /nfs/dbraw/zinc/97/04/22/509970422.db2.gz LOMAIUGYITTYRS-UHFFFAOYSA-N -1 0 356.432 2.801 20 30 FFEDRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000177334778 510001207 /nfs/dbraw/zinc/00/12/07/510001207.db2.gz IAXUFQMSLKDXHN-UHFFFAOYSA-N -1 0 366.345 2.814 20 30 FFEDRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1C ZINC000177719339 510214942 /nfs/dbraw/zinc/21/49/42/510214942.db2.gz AZOMDTBDIVTUEM-UHFFFAOYSA-N -1 0 361.423 2.675 20 30 FFEDRM N#CC1(CS(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000262347406 510251356 /nfs/dbraw/zinc/25/13/56/510251356.db2.gz AJEAHEMYPXEXMO-KKUMJFAQSA-N -1 0 354.472 2.508 20 30 FFEDRM N#Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1[O-] ZINC000190652869 510263091 /nfs/dbraw/zinc/26/30/91/510263091.db2.gz YOWKRILAKAIYSZ-UHFFFAOYSA-N -1 0 372.384 2.841 20 30 FFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C#N ZINC000181148704 510287058 /nfs/dbraw/zinc/28/70/58/510287058.db2.gz RMCSYSUYFRIGJP-UHFFFAOYSA-N -1 0 355.419 2.897 20 30 FFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262585767 510325644 /nfs/dbraw/zinc/32/56/44/510325644.db2.gz GOFOMEDVYDADPA-NWDGAFQWSA-N -1 0 356.191 2.824 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncn(-c2ccccc2)n1 ZINC000181366629 510376750 /nfs/dbraw/zinc/37/67/50/510376750.db2.gz HMZYEUKQJNANBR-UHFFFAOYSA-N -1 0 359.798 2.593 20 30 FFEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1cnc2ccccc2n1 ZINC000190894324 510400331 /nfs/dbraw/zinc/40/03/31/510400331.db2.gz KNEWRIKHARNQQD-OAHLLOKOSA-N -1 0 354.373 2.760 20 30 FFEDRM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190913842 510411913 /nfs/dbraw/zinc/41/19/13/510411913.db2.gz HDVBBMWQYABZKW-NSHDSACASA-N -1 0 357.416 2.585 20 30 FFEDRM C=CCC[C@H](NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)[O-] ZINC000262828021 510430516 /nfs/dbraw/zinc/43/05/16/510430516.db2.gz FOHXQOZGKNRLAF-SKDRFNHKSA-N -1 0 361.364 2.701 20 30 FFEDRM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2cnc3ccccc3n2)NC1=O ZINC000190978275 510446121 /nfs/dbraw/zinc/44/61/21/510446121.db2.gz GEYQDDJDCGLNIZ-YPMHNXCESA-N -1 0 358.357 2.839 20 30 FFEDRM C=CCOC[C@@H](NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000262925258 510478954 /nfs/dbraw/zinc/47/89/54/510478954.db2.gz GNMYTWWPZJEYFF-HUUCEWRRSA-N -1 0 355.818 2.515 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(COc2ccc(C)cc2C)o1)C(=O)[O-] ZINC000263149924 510586146 /nfs/dbraw/zinc/58/61/46/510586146.db2.gz XISVBRLOHMDLMJ-MRXNPFEDSA-N -1 0 373.405 2.861 20 30 FFEDRM Cc1ccc(F)cc1-c1nnc([N-]S(=O)(=O)c2cccc(C#N)c2)o1 ZINC000194986344 510620800 /nfs/dbraw/zinc/62/08/00/510620800.db2.gz XXQFBZIMLPVENL-UHFFFAOYSA-N -1 0 358.354 2.857 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000263278868 510642162 /nfs/dbraw/zinc/64/21/62/510642162.db2.gz YHRBCPXZNYXBRZ-JLSDUUJJSA-N -1 0 364.401 2.652 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c(Cl)c1 ZINC000188594829 510837888 /nfs/dbraw/zinc/83/78/88/510837888.db2.gz WZMMJYOGQGCQCE-UHFFFAOYSA-N -1 0 364.810 2.790 20 30 FFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330150743 510925759 /nfs/dbraw/zinc/92/57/59/510925759.db2.gz KYVGLMNMYUOBSG-LLVKDONJSA-N -1 0 362.455 2.844 20 30 FFEDRM COc1ccc(-n2cc([O-])c(C(=O)N3CCCC(C)(C)[C@@H]3C#N)n2)cc1 ZINC000277436885 510963090 /nfs/dbraw/zinc/96/30/90/510963090.db2.gz FDFQPYODXFJSTP-INIZCTEOSA-N -1 0 354.410 2.741 20 30 FFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1Cl ZINC000278736800 511006253 /nfs/dbraw/zinc/00/62/53/511006253.db2.gz PYQARRCORHBSLO-UHFFFAOYSA-N -1 0 354.819 2.568 20 30 FFEDRM COc1cccc(Cc2n[n-]c(=NC(=O)N3CCC(C)(C#N)CC3)s2)c1 ZINC000331642982 511069803 /nfs/dbraw/zinc/06/98/03/511069803.db2.gz XTWYCBAUNUKSAM-UHFFFAOYSA-N -1 0 371.466 2.717 20 30 FFEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)c2)cc1 ZINC000362132995 511137296 /nfs/dbraw/zinc/13/72/96/511137296.db2.gz WUBZHQYTFZOTLF-INIZCTEOSA-N -1 0 374.404 2.883 20 30 FFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC000290469511 511141316 /nfs/dbraw/zinc/14/13/16/511141316.db2.gz RUVJJTPILDBBCV-ZPMKCOPCSA-N -1 0 353.831 2.677 20 30 FFEDRM CC#CCN(C)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000294697966 511146834 /nfs/dbraw/zinc/14/68/34/511146834.db2.gz XBZPZNRDSKBEEF-UHFFFAOYSA-N -1 0 357.479 2.727 20 30 FFEDRM CC(C)(CCNS(=O)(=O)c1ccc(C#N)cc1Cl)CCC(=O)[O-] ZINC000321812823 511822137 /nfs/dbraw/zinc/82/21/37/511822137.db2.gz ZLBQTDHCTFTORK-UHFFFAOYSA-N -1 0 358.847 2.771 20 30 FFEDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322435179 511824665 /nfs/dbraw/zinc/82/46/65/511824665.db2.gz YWGGFZMQDJQGQB-NSHDSACASA-N -1 0 358.847 2.769 20 30 FFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000325225279 511846313 /nfs/dbraw/zinc/84/63/13/511846313.db2.gz QDYOGYPTLWRVHH-GFCCVEGCSA-N -1 0 362.794 2.589 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000326561396 511860535 /nfs/dbraw/zinc/86/05/35/511860535.db2.gz RZJPVFAJERLMNG-UHFFFAOYSA-N -1 0 352.297 2.645 20 30 FFEDRM COc1ccc(S(=O)(=O)N(CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC000327060962 511868858 /nfs/dbraw/zinc/86/88/58/511868858.db2.gz AOWVLBMZSZDLNM-UHFFFAOYSA-N -1 0 360.391 2.502 20 30 FFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000328008043 511885253 /nfs/dbraw/zinc/88/52/53/511885253.db2.gz VVLPPKUHKQVMCL-UHFFFAOYSA-N -1 0 361.379 2.893 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(-c2cncc(F)c2)cn1 ZINC000366195698 511893623 /nfs/dbraw/zinc/89/36/23/511893623.db2.gz ARNQFRRMQBOMFS-UHFFFAOYSA-N -1 0 369.381 2.659 20 30 FFEDRM CCSc1n[n-]c(=NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000328830645 511937694 /nfs/dbraw/zinc/93/76/94/511937694.db2.gz KREVLYRXGARSBM-AXFHLTTASA-N -1 0 354.501 2.746 20 30 FFEDRM O=C(Nc1nncn1-c1ccccc1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329129219 511988925 /nfs/dbraw/zinc/98/89/25/511988925.db2.gz ZZBSQOSTUWNNCP-OAHLLOKOSA-N -1 0 371.466 2.947 20 30 FFEDRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000275114346 512045185 /nfs/dbraw/zinc/04/51/85/512045185.db2.gz NFHQSCYCBSHNKD-DGCLKSJQSA-N -1 0 370.858 2.723 20 30 FFEDRM Cc1cccc(CN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)CCCCC#N)c1 ZINC000275146749 512056489 /nfs/dbraw/zinc/05/64/89/512056489.db2.gz QWAMWZLUNXELKB-KRWDZBQOSA-N -1 0 366.483 2.930 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c(F)c1 ZINC000371597137 512485547 /nfs/dbraw/zinc/48/55/47/512485547.db2.gz OJBKONWLRGCXOT-UHFFFAOYSA-N -1 0 364.329 2.602 20 30 FFEDRM N#Cc1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)ccc1F ZINC000376104687 512662704 /nfs/dbraw/zinc/66/27/04/512662704.db2.gz XKDLIHSIKVDANU-AWEZNQCLSA-N -1 0 374.738 2.522 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1C#N ZINC000368295785 512888173 /nfs/dbraw/zinc/88/81/73/512888173.db2.gz GSYQUDYYDAGXDZ-UHFFFAOYSA-N -1 0 361.283 2.938 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc1Cl ZINC000391773971 512919377 /nfs/dbraw/zinc/91/93/77/512919377.db2.gz SBPLEKQQOVRYSQ-UHFFFAOYSA-N -1 0 354.746 2.850 20 30 FFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000392638245 512926938 /nfs/dbraw/zinc/92/69/38/512926938.db2.gz JRLMDUTVUSEENJ-UHFFFAOYSA-N -1 0 366.782 2.719 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)[O-] ZINC000393139585 512930922 /nfs/dbraw/zinc/93/09/22/512930922.db2.gz CCNQZWVSYSCWJY-XHSDSOJGSA-N -1 0 362.451 2.663 20 30 FFEDRM Cc1cc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3CC[C@H]2C(=O)[O-])ccc1C#N ZINC000393111085 512931068 /nfs/dbraw/zinc/93/10/68/512931068.db2.gz HDDRTTIITBEROL-XKQJLSEDSA-N -1 0 362.451 2.663 20 30 FFEDRM CN([C@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000395745843 512941038 /nfs/dbraw/zinc/94/10/38/512941038.db2.gz XQJKPVHXYBUBJS-GFCCVEGCSA-N -1 0 358.847 2.722 20 30 FFEDRM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)Nc2ccccc2O[C@@H](C)C#N)s1 ZINC000372598849 512961947 /nfs/dbraw/zinc/96/19/47/512961947.db2.gz DYQJKTWLLTVCLK-VIFPVBQESA-N -1 0 369.410 2.593 20 30 FFEDRM C=C(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000424749110 513264070 /nfs/dbraw/zinc/26/40/70/513264070.db2.gz IYZMRNXRZPKIRY-UHFFFAOYSA-N -1 0 366.468 2.880 20 30 FFEDRM N#Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(OC(F)F)c1 ZINC000450895608 513388854 /nfs/dbraw/zinc/38/88/54/513388854.db2.gz KDTGYYKIYABVIO-GFCCVEGCSA-N -1 0 350.325 2.628 20 30 FFEDRM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1[N+](=O)[O-] ZINC000429584136 513417731 /nfs/dbraw/zinc/41/77/31/513417731.db2.gz MDAQOSCOEIRJOJ-NSHDSACASA-N -1 0 351.322 2.673 20 30 FFEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc(-c4cnn(C)c4)s3)nc1-2 ZINC000429607417 513421482 /nfs/dbraw/zinc/42/14/82/513421482.db2.gz VISHAVCCGPDFBO-LLVKDONJSA-N -1 0 363.406 2.613 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c1C#N ZINC000447274820 513434053 /nfs/dbraw/zinc/43/40/53/513434053.db2.gz PPRHBQIJPUTBPP-UHFFFAOYSA-N -1 0 353.403 2.519 20 30 FFEDRM N#Cc1ccccc1CS(=O)(=O)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000429887740 513491132 /nfs/dbraw/zinc/49/11/32/513491132.db2.gz FFHAVMPSEKEWPH-UHFFFAOYSA-N -1 0 364.430 2.806 20 30 FFEDRM COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435477326 513600998 /nfs/dbraw/zinc/60/09/98/513600998.db2.gz AGFOIWYHIBBYAX-UHFFFAOYSA-N -1 0 352.437 2.836 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nccnc2SCC)n1 ZINC000430536578 513678615 /nfs/dbraw/zinc/67/86/15/513678615.db2.gz XVPJZGCSPLWBQN-SECBINFHSA-N -1 0 362.436 2.712 20 30 FFEDRM Cn1c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)ccc2[nH]c1=O ZINC000442247032 513689687 /nfs/dbraw/zinc/68/96/87/513689687.db2.gz CQUPIWPFEZKJMU-UHFFFAOYSA-N -1 0 362.798 2.605 20 30 FFEDRM N#Cc1cccc(-c2cc(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)on2)c1 ZINC000448345818 513739344 /nfs/dbraw/zinc/73/93/44/513739344.db2.gz LVPFYLGBJGOAQL-UHFFFAOYSA-N -1 0 359.267 2.696 20 30 FFEDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1=O ZINC000416443371 513774326 /nfs/dbraw/zinc/77/43/26/513774326.db2.gz HAYYSVVHPWEIHH-KGLIPLIRSA-N -1 0 369.343 2.699 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000436390526 513843641 /nfs/dbraw/zinc/84/36/41/513843641.db2.gz WYWKUSFKFLUXQX-HDZKGBJQSA-N -1 0 360.439 2.826 20 30 FFEDRM C=CCn1c(SCc2cc([O-])ccc2[N+](=O)[O-])nnc1-c1cnccn1 ZINC000436476174 513865268 /nfs/dbraw/zinc/86/52/68/513865268.db2.gz QOEOFSXCWINHRY-UHFFFAOYSA-N -1 0 370.394 2.827 20 30 FFEDRM CC(C)(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000422684007 513901823 /nfs/dbraw/zinc/90/18/23/513901823.db2.gz OAELSNPVOGEYQM-CYBMUJFWSA-N -1 0 365.817 2.546 20 30 FFEDRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000436605400 513914382 /nfs/dbraw/zinc/91/43/82/513914382.db2.gz KNFKCZSGWPNQCX-UHFFFAOYSA-N -1 0 366.345 2.936 20 30 FFEDRM C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000414112869 513978659 /nfs/dbraw/zinc/97/86/59/513978659.db2.gz YGSMHEMDOXLICZ-CHWSQXEVSA-N -1 0 370.199 2.585 20 30 FFEDRM C=CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000414329739 514050909 /nfs/dbraw/zinc/05/09/09/514050909.db2.gz IKBWQRFFQYQQKB-UHFFFAOYSA-N -1 0 362.245 2.638 20 30 FFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000416946035 514059983 /nfs/dbraw/zinc/05/99/83/514059983.db2.gz FUTNQOHOOHCPLX-GFCCVEGCSA-N -1 0 355.847 2.524 20 30 FFEDRM Cc1c(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)cnn1C ZINC000427109401 514117942 /nfs/dbraw/zinc/11/79/42/514117942.db2.gz HMGSZOZGGMCDJN-UHFFFAOYSA-N -1 0 351.431 2.929 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000437480605 514167372 /nfs/dbraw/zinc/16/73/72/514167372.db2.gz WFLNZUXUCPUYDS-SJCJKPOMSA-N -1 0 361.829 2.942 20 30 FFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C)c(OC)c1 ZINC000427301327 514176220 /nfs/dbraw/zinc/17/62/20/514176220.db2.gz IXYMFVRORYMDLT-UHFFFAOYSA-N -1 0 350.371 2.824 20 30 FFEDRM COCc1nc(=NC(=O)c2cn(CCCC#N)c3ccccc23)s[n-]1 ZINC000444368334 514211777 /nfs/dbraw/zinc/21/17/77/514211777.db2.gz LTETUYNSOAVKLD-UHFFFAOYSA-N -1 0 355.423 2.617 20 30 FFEDRM COCc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc(C(=O)[O-])c1 ZINC000427689518 514288230 /nfs/dbraw/zinc/28/82/30/514288230.db2.gz IPJKZFBRIAJHJZ-LBPRGKRZSA-N -1 0 354.362 2.809 20 30 FFEDRM Cc1c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)[nH]nc1-c1ccccc1 ZINC000427744641 514300180 /nfs/dbraw/zinc/30/01/80/514300180.db2.gz MFFJPDRHGZGWKZ-UHFFFAOYSA-N -1 0 353.407 2.761 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1C#N ZINC000427762409 514306280 /nfs/dbraw/zinc/30/62/80/514306280.db2.gz INDRXQKBNMHNOL-UHFFFAOYSA-N -1 0 369.362 2.519 20 30 FFEDRM COc1cccc(-c2nc(=NC(=O)c3ncc(C#N)cc3Cl)s[n-]2)c1 ZINC000428046108 514386007 /nfs/dbraw/zinc/38/60/07/514386007.db2.gz DEHFMZYZQYRSCY-UHFFFAOYSA-N -1 0 371.809 2.808 20 30 FFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCC#N)c1ccc(F)cc1 ZINC000466285510 514595974 /nfs/dbraw/zinc/59/59/74/514595974.db2.gz GIOVVQBEJHNGID-UHFFFAOYSA-N -1 0 362.382 2.941 20 30 FFEDRM C=CCN=c1[n-]nc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000484485469 514664697 /nfs/dbraw/zinc/66/46/97/514664697.db2.gz FYKUMZJNJZYXRV-AWEZNQCLSA-N -1 0 371.491 2.717 20 30 FFEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000508125714 514678639 /nfs/dbraw/zinc/67/86/39/514678639.db2.gz AQFDCTHOSMINHT-UHFFFAOYSA-N -1 0 367.386 2.678 20 30 FFEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000471111688 514757759 /nfs/dbraw/zinc/75/77/59/514757759.db2.gz CMFCCUWISLKEAV-UHFFFAOYSA-N -1 0 369.305 2.869 20 30 FFEDRM COc1ccccc1-c1n[n-]c(=NC(=O)N(C[C@@H](C)C#N)C2CC2)s1 ZINC000455816929 514759065 /nfs/dbraw/zinc/75/90/65/514759065.db2.gz WUDAMZFJTUDKAT-NSHDSACASA-N -1 0 357.439 2.792 20 30 FFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480087705 514837353 /nfs/dbraw/zinc/83/73/53/514837353.db2.gz YDUDQRRNDJTRHR-QWHCGFSZSA-N -1 0 357.439 2.886 20 30 FFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000462061542 514855621 /nfs/dbraw/zinc/85/56/21/514855621.db2.gz UKECUPVINOEBIN-HNNXBMFYSA-N -1 0 373.434 2.991 20 30 FFEDRM C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455959928 514867176 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CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(C)nn(C)c3c2)cc1C#N ZINC000462653588 515170881 /nfs/dbraw/zinc/17/08/81/515170881.db2.gz IPFCPXXGWOVKFH-UHFFFAOYSA-N -1 0 353.407 2.828 20 30 FFEDRM COc1cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c(C)c(OC)c1 ZINC000504255265 515254746 /nfs/dbraw/zinc/25/47/46/515254746.db2.gz RUGUBUVOCGEROB-UHFFFAOYSA-N -1 0 359.407 2.959 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1C#N ZINC000490584262 515256096 /nfs/dbraw/zinc/25/60/96/515256096.db2.gz KRKUBWJGWFWWDF-UHFFFAOYSA-N -1 0 368.418 2.908 20 30 FFEDRM C=CCN=c1[n-]nc(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)s1 ZINC000477010165 515287854 /nfs/dbraw/zinc/28/78/54/515287854.db2.gz KLYQOHFIHMLIDR-JTQLQIEISA-N -1 0 365.480 2.939 20 30 FFEDRM CC(C)COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1 ZINC000485992240 515289519 /nfs/dbraw/zinc/28/95/19/515289519.db2.gz SGVQORLAPHEMSS-UHFFFAOYSA-N -1 0 360.439 2.994 20 30 FFEDRM C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486027276 515303218 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CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCC(C)(C)C2=CCCCC2)[n-]1 ZINC000477672935 515548483 /nfs/dbraw/zinc/54/84/83/515548483.db2.gz OYNVQMZFWWMQQG-UHFFFAOYSA-N -1 0 371.485 2.513 20 30 FFEDRM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1(C)C ZINC000463867676 515649203 /nfs/dbraw/zinc/64/92/03/515649203.db2.gz PEQARWRDHHUKRB-UONOGXRCSA-N -1 0 358.410 2.707 20 30 FFEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1c(F)cncc1F ZINC000511028395 515749706 /nfs/dbraw/zinc/74/97/06/515749706.db2.gz JRPOIRYZBIWMFE-SSDOTTSWSA-N -1 0 359.304 2.549 20 30 FFEDRM Cn1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c(=O)c2ccccc21 ZINC000464420383 515816944 /nfs/dbraw/zinc/81/69/44/515816944.db2.gz PXZPLBWJCODROX-LBPRGKRZSA-N -1 0 372.306 2.837 20 30 FFEDRM N#Cc1ccnc(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)c1 ZINC000506255074 515828889 /nfs/dbraw/zinc/82/88/89/515828889.db2.gz QRELQVVIYMTZPR-UHFFFAOYSA-N -1 0 355.810 2.723 20 30 FFEDRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000478681444 515923430 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C[C@]1(C(=O)[O-])CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000828020112 602038861 /nfs/dbraw/zinc/03/88/61/602038861.db2.gz KJCQMTYJELTHGA-IBGZPJMESA-N -1 0 354.362 2.667 20 30 FFEDRM N#Cc1ccccc1N1CCN(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC000833075734 602095583 /nfs/dbraw/zinc/09/55/83/602095583.db2.gz VVERPFRAEOEUAF-UHFFFAOYSA-N -1 0 372.469 2.815 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000825681857 602124632 /nfs/dbraw/zinc/12/46/32/602124632.db2.gz JEAMRCGNMSADAS-UHFFFAOYSA-N -1 0 366.417 2.510 20 30 FFEDRM N#Cc1ccnc(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1[N+](=O)[O-] ZINC000833076991 602127757 /nfs/dbraw/zinc/12/77/57/602127757.db2.gz UZAIXAAEIXKGNC-UHFFFAOYSA-N -1 0 363.333 2.604 20 30 FFEDRM N#Cc1ccc(NC(=S)NC[C@H]2CCCN(C(=O)[O-])C2)cc1Cl ZINC000740315272 602235416 /nfs/dbraw/zinc/23/54/16/602235416.db2.gz HOYXHCVIKAJQQW-SNVBAGLBSA-N -1 0 352.847 2.888 20 30 FFEDRM C[C@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)NC(=O)[O-] ZINC000738909152 602249136 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FFEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000105262260 975789051 /nfs/dbraw/zinc/78/90/51/975789051.db2.gz ZASRJIYAKHKPRC-QGZVFWFLSA-N -1 0 370.453 2.988 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(NC(=O)NC2CC2)c1 ZINC000105327963 975860286 /nfs/dbraw/zinc/86/02/86/975860286.db2.gz ORYNHWHFGKJRDW-KRWDZBQOSA-N -1 0 368.437 2.742 20 30 FFEDRM CC(C)Oc1cccc(CNC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC001591796152 976006218 /nfs/dbraw/zinc/00/62/18/976006218.db2.gz BQYVVTCPVYUSGD-UHFFFAOYSA-N -1 0 370.405 2.839 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000653537267 1014368699 /nfs/dbraw/zinc/36/86/99/1014368699.db2.gz SAAMJYKJLSUCHT-UHOFOFEASA-N -1 0 373.453 2.859 20 30 FFEDRM C[C@@H](CC#N)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592221448 977399382 /nfs/dbraw/zinc/39/93/82/977399382.db2.gz GSLXUAWZTZCWQO-ZETCQYMHSA-N -1 0 359.165 2.723 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000729068195 978170101 /nfs/dbraw/zinc/17/01/01/978170101.db2.gz YBRAORBRTDWABC-GDBMZVCRSA-N -1 0 365.433 2.872 20 30 FFEDRM C[C@H](CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CC1)C(=O)[O-] ZINC001592557814 978448111 /nfs/dbraw/zinc/44/81/11/978448111.db2.gz RUWGBAKJFPEDSI-CYBMUJFWSA-N -1 0 373.428 2.625 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592833356 979570662 /nfs/dbraw/zinc/57/06/62/979570662.db2.gz GLKFCUIEDVAXGF-BYCMXARLSA-N -1 0 368.355 2.848 20 30 FFEDRM CC[C@@](CNC(=O)NCC#Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595149205 979633250 /nfs/dbraw/zinc/63/32/50/979633250.db2.gz BHMAZTSLRRLTON-NRFANRHFSA-N -1 0 350.418 2.770 20 30 FFEDRM CC[C@](CNC(=O)Nc1cnc(OC)c(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595155008 979663408 /nfs/dbraw/zinc/66/34/08/979663408.db2.gz UYQAECXLSWFQTC-LJQANCHMSA-N -1 0 368.393 2.516 20 30 FFEDRM C[C@H](Cc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1)C(=O)[O-] ZINC001592858833 979676692 /nfs/dbraw/zinc/67/66/92/979676692.db2.gz VIBIEVDZPMYUAD-LLVKDONJSA-N -1 0 369.352 2.538 20 30 FFEDRM C[C@@H](Cc1cncc2ccccc21)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592906946 979850782 /nfs/dbraw/zinc/85/07/82/979850782.db2.gz KDYKGOCYQCQSSQ-AWEZNQCLSA-N -1 0 351.406 2.630 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000796608598 1014612366 /nfs/dbraw/zinc/61/23/66/1014612366.db2.gz MZXAYWDDFJCNTD-UHFFFAOYSA-N -1 0 367.430 2.619 20 30 FFEDRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccc(C#N)cc1 ZINC001592977847 980136257 /nfs/dbraw/zinc/13/62/57/980136257.db2.gz GJYIGIHTORMRHK-SNVBAGLBSA-N -1 0 371.780 2.726 20 30 FFEDRM CC[C@](NC(=O)Cc1ccc(C#N)nc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595242709 980168800 /nfs/dbraw/zinc/16/88/00/980168800.db2.gz ICOLKIWGGKTUDF-GOSISDBHSA-N -1 0 357.797 2.655 20 30 FFEDRM C=CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C)C(=O)[O-] ZINC000262935789 980172129 /nfs/dbraw/zinc/17/21/29/980172129.db2.gz PKBPYQSMLDPLDC-IAGOWNOFSA-N -1 0 360.454 2.675 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760196299 980201532 /nfs/dbraw/zinc/20/15/32/980201532.db2.gz OBIKGGUWRAPZOC-MRXNPFEDSA-N -1 0 367.405 2.550 20 30 FFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1 ZINC001595362962 980776905 /nfs/dbraw/zinc/77/69/05/980776905.db2.gz UPUQPZYDEATBGR-HNNXBMFYSA-N -1 0 350.440 2.548 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(-n2ccnc2C)c(F)c1)C(=O)[O-] ZINC000908885835 981564447 /nfs/dbraw/zinc/56/44/47/981564447.db2.gz QKCSZZBTYOIWTI-OAHLLOKOSA-N -1 0 360.389 2.538 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)NCc1cc(N(C)C)nc2ccccc12)C(=O)[O-] ZINC000909098392 981621784 /nfs/dbraw/zinc/62/17/84/981621784.db2.gz KZJOAGZPXIEMQB-MRXNPFEDSA-N -1 0 356.426 2.519 20 30 FFEDRM CC[C@@](C)(NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)[O-] ZINC001594848053 982076807 /nfs/dbraw/zinc/07/68/07/982076807.db2.gz UAJSJQKETZGEID-LJQANCHMSA-N -1 0 352.394 2.548 20 30 FFEDRM CCCCCCCCOCC(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001595704691 982277969 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1011021557 /nfs/dbraw/zinc/02/15/57/1011021557.db2.gz WIHXRTOFCBZJCU-LLVKDONJSA-N -1 0 360.341 2.910 20 30 FFEDRM CNS(=O)(=O)c1cccc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000794935838 1011027068 /nfs/dbraw/zinc/02/70/68/1011027068.db2.gz BGEOIJMRHBJZOE-FPLPWBNLSA-N -1 0 373.430 2.806 20 30 FFEDRM CN(C)c1ccccc1CNN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000794956398 1011057058 /nfs/dbraw/zinc/05/70/58/1011057058.db2.gz RWXREQJFLDXVGE-UHFFFAOYSA-N -1 0 350.422 2.916 20 30 FFEDRM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Cl)c([O-])c1)CC2 ZINC001274795061 1011665344 /nfs/dbraw/zinc/66/53/44/1011665344.db2.gz BUWVBOSVDDLSFQ-CQSZACIVSA-N -1 0 362.857 2.980 20 30 FFEDRM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])c(C#N)c1 ZINC001274794905 1011665548 /nfs/dbraw/zinc/66/55/48/1011665548.db2.gz RFGIWUPSSQKNJH-XOBRGWDASA-N -1 0 355.438 2.660 20 30 FFEDRM C=CCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])c(F)c(F)c3)CC2)C1=O ZINC001274807364 1011673477 /nfs/dbraw/zinc/67/34/77/1011673477.db2.gz 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ZINC001122706777 1023426225 /nfs/dbraw/zinc/42/62/25/1023426225.db2.gz CZRNJYCYQXGOGC-HNNXBMFYSA-N -1 0 369.388 2.591 20 30 FFEDRM CC(C)c1nc(C=NN=C2NS(=O)(=O)c3ccccc32)c2ccccn21 ZINC000755641368 1023618105 /nfs/dbraw/zinc/61/81/05/1023618105.db2.gz XDABXUPQKVJRGN-UHFFFAOYSA-N -1 0 367.434 2.530 20 30 FFEDRM CCS[C@H]1CC[C@@H](N(C)c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)C1 ZINC001121390853 1023745748 /nfs/dbraw/zinc/74/57/48/1023745748.db2.gz BCQCDIWYTGFQRY-KGLIPLIRSA-N -1 0 358.471 2.565 20 30 FFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000757984048 1023897978 /nfs/dbraw/zinc/89/79/78/1023897978.db2.gz GMJLAZAEGDTDIS-UHFFFAOYSA-N -1 0 369.387 3.000 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CSc2nccn2C)o1 ZINC000193381575 1024496835 /nfs/dbraw/zinc/49/68/35/1024496835.db2.gz UROYAOIXBFUUGJ-AWEZNQCLSA-N -1 0 374.466 2.934 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000193421697 1024507144 /nfs/dbraw/zinc/50/71/44/1024507144.db2.gz 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CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001520813441 1060105304 /nfs/dbraw/zinc/10/53/04/1060105304.db2.gz FPLZADLDAOVURZ-UHFFFAOYSA-N -1 0 356.405 2.656 20 30 FFEDRM N#Cc1ccc(OC2CCC(NC(=O)c3cccc(F)c3[O-])CC2)nc1 ZINC001458096294 1060511562 /nfs/dbraw/zinc/51/15/62/1060511562.db2.gz WRNFXTSSZXZSHQ-UHFFFAOYSA-N -1 0 355.369 2.918 20 30 FFEDRM Cn1c(=O)[n-]c(Nc2cccc(CCCc3ccccc3)c2)c(C#N)c1=O ZINC001458151138 1060527620 /nfs/dbraw/zinc/52/76/20/1060527620.db2.gz MGIRWNPTVOKXRK-UHFFFAOYSA-N -1 0 360.417 2.864 20 30 FFEDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C2 ZINC001546334298 1060586066 /nfs/dbraw/zinc/58/60/66/1060586066.db2.gz GEGXCDNBLPAITQ-IPYPFGDCSA-N -1 0 357.410 2.990 20 30 FFEDRM C=CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC001527378595 1061480183 /nfs/dbraw/zinc/48/01/83/1061480183.db2.gz XQCMDNRDYMQSBB-UHFFFAOYSA-N -1 0 360.439 2.737 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001528878199 1062074219 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FFEDRM C#CCOc1cccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001573328015 1077670822 /nfs/dbraw/zinc/67/08/22/1077670822.db2.gz YUOBMYDRWBPTSY-GOSISDBHSA-N -1 0 350.374 2.915 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001573325837 1077670938 /nfs/dbraw/zinc/67/09/38/1077670938.db2.gz PBTULKQQVXBZDM-UKRRQHHQSA-N -1 0 358.221 2.831 20 30 FFEDRM C=CCCC[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001573328904 1077671297 /nfs/dbraw/zinc/67/12/97/1077671297.db2.gz SGCPGHMVSAIVMX-QKLQHJQFSA-N -1 0 358.438 2.827 20 30 FFEDRM C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[nH]n2)c1C ZINC001573337488 1077673664 /nfs/dbraw/zinc/67/36/64/1077673664.db2.gz OXBLLCLKSWKBII-CQSZACIVSA-N -1 0 373.457 2.553 20 30 FFEDRM C=CCN1CC[C@H](Oc2c(Cl)cc(C(=O)[O-])cc2Br)C1=O ZINC001573367845 1077684332 /nfs/dbraw/zinc/68/43/32/1077684332.db2.gz BZADFTZINVPPPJ-NSHDSACASA-N -1 0 374.618 2.966 20 30 FFEDRM 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ZINC001588373053 1079996422 /nfs/dbraw/zinc/99/64/22/1079996422.db2.gz ZCZCBFFXHLCMCV-KGLIPLIRSA-N -1 0 372.812 2.743 20 30 FFEDRM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nnn[n-]3)o2)C(F)(F)F)cc1 ZINC001588373392 1079996804 /nfs/dbraw/zinc/99/68/04/1079996804.db2.gz IYITTYZTUMZNNL-ZDUSSCGKSA-N -1 0 362.267 2.901 20 30 FFEDRM C#C[C@@H](NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1)C(C)C ZINC001588376069 1079997317 /nfs/dbraw/zinc/99/73/17/1079997317.db2.gz AXUXTSPENYIXAV-LJQANCHMSA-N -1 0 367.449 2.894 20 30 FFEDRM C#C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588383137 1080000053 /nfs/dbraw/zinc/00/00/53/1080000053.db2.gz YXGBHBCANQFMAD-LBPRGKRZSA-N -1 0 361.341 2.580 20 30 FFEDRM C#CC[C@@H](CC)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1Cc1ccccc1 ZINC001588389857 1080001486 /nfs/dbraw/zinc/00/14/86/1080001486.db2.gz COXMSXAXUIGPPP-OXQOHEQNSA-N -1 0 370.428 2.846 20 30 FFEDRM C#CC[C@H](CCOC)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588395946 1080008885 /nfs/dbraw/zinc/00/88/85/1080008885.db2.gz 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C#CCOc1ccccc1CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588504403 1080061104 /nfs/dbraw/zinc/06/11/04/1080061104.db2.gz WMVYPHWEJQDGIR-UHFFFAOYSA-N -1 0 364.401 2.665 20 30 FFEDRM C=C(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)c1ccc(F)c(F)c1 ZINC001588535963 1080084880 /nfs/dbraw/zinc/08/48/80/1080084880.db2.gz SPUALPGDOBVILZ-OAHLLOKOSA-N -1 0 368.361 2.654 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CSc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001588542802 1080087415 /nfs/dbraw/zinc/08/74/15/1080087415.db2.gz RMLWBUXVXCTBJD-LLVKDONJSA-N -1 0 365.480 2.936 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588542320 1080087509 /nfs/dbraw/zinc/08/75/09/1080087509.db2.gz GJWZGHKWRRXKHP-ZDUSSCGKSA-N -1 0 355.843 2.792 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588540524 1080088197 /nfs/dbraw/zinc/08/81/97/1080088197.db2.gz ILAYWSPWDTXHLX-OAHLLOKOSA-N -1 0 368.474 2.949 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC001588546495 1080088569 /nfs/dbraw/zinc/08/85/69/1080088569.db2.gz MMONYSNVFXOBTB-LLVKDONJSA-N -1 0 357.160 2.507 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)C(=O)[O-] ZINC001588546482 1080089576 /nfs/dbraw/zinc/08/95/76/1080089576.db2.gz MEGDRMJRZGYXSW-QGZVFWFLSA-N -1 0 364.405 2.878 20 30 FFEDRM C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588589904 1080113355 /nfs/dbraw/zinc/11/33/55/1080113355.db2.gz URJRYQUNZGVDKF-ZDUSSCGKSA-N -1 0 357.414 2.606 20 30 FFEDRM C=C(C)Cn1c(-c2n[nH]cc2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588590019 1080113812 /nfs/dbraw/zinc/11/38/12/1080113812.db2.gz WCLOESUFYXLDCC-AWEZNQCLSA-N -1 0 358.446 2.634 20 30 FFEDRM C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591248 1080114600 /nfs/dbraw/zinc/11/46/00/1080114600.db2.gz HAYAAKPJXMIVJC-DNVCBOLYSA-N -1 0 362.474 2.769 20 30 FFEDRM C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588597748 1080118147 /nfs/dbraw/zinc/11/81/47/1080118147.db2.gz KPCPFCNLHPQACO-IBGZPJMESA-N -1 0 374.416 2.873 20 30 FFEDRM C=C(C)Cn1c(Cc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588598110 1080118554 /nfs/dbraw/zinc/11/85/54/1080118554.db2.gz RFDZMVKLKFODEP-HXUWFJFHSA-N -1 0 365.437 2.618 20 30 FFEDRM C=C(C)Cn1c(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)nnc1C1(OCC)CCC1 ZINC001588599151 1080119295 /nfs/dbraw/zinc/11/92/95/1080119295.db2.gz WGXIJGZYZAPAHV-RDTXWAMCSA-N -1 0 362.474 2.817 20 30 FFEDRM C=C(CC)C(=O)N[C@@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001588605356 1080121335 /nfs/dbraw/zinc/12/13/35/1080121335.db2.gz AZEZZNJWPXLNKU-INIZCTEOSA-N -1 0 352.228 2.844 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001588606989 1080121574 /nfs/dbraw/zinc/12/15/74/1080121574.db2.gz NZRMQAJBHXQSOU-UHFFFAOYSA-N -1 0 354.447 2.702 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001588614949 1080122524 /nfs/dbraw/zinc/12/25/24/1080122524.db2.gz FPHYRZPPCKQPKV-AUUYWEPGSA-N -1 0 366.458 2.703 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC001588622270 1080125043 /nfs/dbraw/zinc/12/50/43/1080125043.db2.gz SUJNXAHXAPTTRG-WBVHZDCISA-N -1 0 359.422 2.575 20 30 FFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001588719739 1080169373 /nfs/dbraw/zinc/16/93/73/1080169373.db2.gz XJCGDKDCSDKGBC-LLVKDONJSA-N -1 0 359.831 2.776 20 30 FFEDRM C=C[C@@H]1CCCCN1c1nc(NC2(C(=O)[O-])CCCCC2)nc(OC)n1 ZINC001588719439 1080169594 /nfs/dbraw/zinc/16/95/94/1080169594.db2.gz SHDCDTVKMMOMSQ-CYBMUJFWSA-N -1 0 361.446 2.625 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1noc(Cc2ccc(C#N)cc2)n1 ZINC001588718884 1080169648 /nfs/dbraw/zinc/16/96/48/1080169648.db2.gz GIYRDZWBOURLCE-ZDUSSCGKSA-N -1 0 372.381 2.573 20 30 FFEDRM C=CC[C@@]1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCN1C(=O)OC(C)(C)C ZINC001588762247 1080183946 /nfs/dbraw/zinc/18/39/46/1080183946.db2.gz HFYRRCKUFXCDEW-LIRRHRJNSA-N -1 0 366.458 2.702 20 30 FFEDRM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c(O)c1 ZINC001588781678 1080193419 /nfs/dbraw/zinc/19/34/19/1080193419.db2.gz JCGVLZHMJKBKBJ-UHFFFAOYSA-N -1 0 355.402 2.903 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)C(=O)[O-] ZINC001588784961 1080195617 /nfs/dbraw/zinc/19/56/17/1080195617.db2.gz DOIIGOBYCUPKIX-AUUYWEPGSA-N -1 0 351.443 2.980 20 30 FFEDRM C=CCCC[C@H](NC(=O)CCc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001588788792 1080196575 /nfs/dbraw/zinc/19/65/75/1080196575.db2.gz NYHOGQLNBVEDTA-LBPRGKRZSA-N -1 0 355.337 2.866 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001588790340 1080197775 /nfs/dbraw/zinc/19/77/75/1080197775.db2.gz VOKMAZSGRIXAMH-GJZGRUSLSA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC001588793941 1080199719 /nfs/dbraw/zinc/19/97/19/1080199719.db2.gz GOCGRJOSSYQCEJ-IXDOHACOSA-N -1 0 374.437 2.617 20 30 FFEDRM C=CCCn1cc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)nn1 ZINC001588817972 1080206572 /nfs/dbraw/zinc/20/65/72/1080206572.db2.gz ZWASSWXCMYEVST-UHFFFAOYSA-N -1 0 366.171 2.534 20 30 FFEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1cc(C(=O)[O-])ccc1Br ZINC001588813473 1080206679 /nfs/dbraw/zinc/20/66/79/1080206679.db2.gz WIWGUCMIHBPACZ-HNNXBMFYSA-N -1 0 368.231 2.614 20 30 FFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588831571 1080210695 /nfs/dbraw/zinc/21/06/95/1080210695.db2.gz BEVHAVIRTVBKJP-UHFFFAOYSA-N -1 0 361.419 2.913 20 30 FFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)Cc1c(F)cccc1F ZINC001588832533 1080211374 /nfs/dbraw/zinc/21/13/74/1080211374.db2.gz RAEYOPFWDFZSDB-UHFFFAOYSA-N -1 0 374.390 2.642 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001588832336 1080211813 /nfs/dbraw/zinc/21/18/13/1080211813.db2.gz DLBPBQGGTKAMQD-UHFFFAOYSA-N -1 0 371.437 2.938 20 30 FFEDRM C=CCN1CC[C@@H](N(C)[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1=O ZINC001588839352 1080213828 /nfs/dbraw/zinc/21/38/28/1080213828.db2.gz PYKFWCMMXPYCOD-KGLIPLIRSA-N -1 0 356.344 2.550 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001588844129 1080214935 /nfs/dbraw/zinc/21/49/35/1080214935.db2.gz QROKEETWRFNAGX-UHFFFAOYSA-N -1 0 359.426 2.759 20 30 FFEDRM C=CCNC(=S)NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588845559 1080215020 /nfs/dbraw/zinc/21/50/20/1080215020.db2.gz WUBXRAUSRQKXCH-UHFFFAOYSA-N -1 0 369.446 2.948 20 30 FFEDRM C=CCNc1ncc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)s1 ZINC001588849393 1080217401 /nfs/dbraw/zinc/21/74/01/1080217401.db2.gz NZWBGECXCVTQDL-NOEPWBJOSA-N -1 0 367.496 2.600 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588856393 1080219469 /nfs/dbraw/zinc/21/94/69/1080219469.db2.gz YRSOUVOJIODSHZ-ROUUACIJSA-N -1 0 355.390 2.579 20 30 FFEDRM C=CCOc1ccc(CC(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])cc1 ZINC001588873662 1080224914 /nfs/dbraw/zinc/22/49/14/1080224914.db2.gz FRUGANKNAQNUOQ-IBGZPJMESA-N -1 0 367.401 2.538 20 30 FFEDRM C=CCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588889092 1080236965 /nfs/dbraw/zinc/23/69/65/1080236965.db2.gz LKCUIEVIPBVMJF-UKRRQHHQSA-N -1 0 363.421 2.836 20 30 FFEDRM C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588890111 1080237823 /nfs/dbraw/zinc/23/78/23/1080237823.db2.gz OUIRGUKVHQSFJD-SFHVURJKSA-N -1 0 369.381 2.680 20 30 FFEDRM C=CCn1c([C@H](OC)C2CC2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588895681 1080245322 /nfs/dbraw/zinc/24/53/22/1080245322.db2.gz LADXCPCIYSTDJX-QGZVFWFLSA-N -1 0 368.437 2.823 20 30 FFEDRM C=CCn1c([C@H](OC)C2CCCC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588897453 1080247638 /nfs/dbraw/zinc/24/76/38/1080247638.db2.gz ZEGJZGDTVNDICH-FRFSOERESA-N -1 0 362.474 2.889 20 30 FFEDRM C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588900312 1080248488 /nfs/dbraw/zinc/24/84/88/1080248488.db2.gz FOTSCESHABOXNR-INIZCTEOSA-N -1 0 370.453 2.961 20 30 FFEDRM C=CCn1c(COC2CCCCC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588901268 1080250742 /nfs/dbraw/zinc/25/07/42/1080250742.db2.gz SFUWSEDKNNUQQL-GOEBONIOSA-N -1 0 362.474 2.860 20 30 FFEDRM C=CCn1c(Cc2ccnc(C)c2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588904687 1080254759 /nfs/dbraw/zinc/25/47/59/1080254759.db2.gz ZPWMJSXFFBXUGA-MRXNPFEDSA-N -1 0 369.469 2.840 20 30 FFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)cc21 ZINC001588912345 1080260217 /nfs/dbraw/zinc/26/02/17/1080260217.db2.gz GXKGKTZDFHIMBP-LIRRHRJNSA-N -1 0 354.410 2.941 20 30 FFEDRM CC(=O)N(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001589045795 1080322397 /nfs/dbraw/zinc/32/23/97/1080322397.db2.gz CIOAKMMMFSYFLU-KRWDZBQOSA-N -1 0 352.346 2.524 20 30 FFEDRM CC(C)(C)[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001589095791 1080351806 /nfs/dbraw/zinc/35/18/06/1080351806.db2.gz MTVGLRDBGJUROI-OAHLLOKOSA-N -1 0 352.377 2.867 20 30 FFEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)n1ccc(C(F)(F)F)n1 ZINC001589540797 1080593458 /nfs/dbraw/zinc/59/34/58/1080593458.db2.gz RLFJJBWOXDFLRJ-NOZJJQNGSA-N -1 0 367.283 2.704 20 30 FFEDRM C[C@@H](C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21)n1cnc(C#N)n1 ZINC001589549342 1080600825 /nfs/dbraw/zinc/60/08/25/1080600825.db2.gz ZXTCCZFXDFFJNY-QMMMGPOBSA-N -1 0 374.353 2.506 20 30 FFEDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)cc1 ZINC001589644056 1080648088 /nfs/dbraw/zinc/64/80/88/1080648088.db2.gz LTDJEQLJVJXXNU-UHFFFAOYSA-N -1 0 359.403 2.883 20 30 FFEDRM CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001589743661 1080697440 /nfs/dbraw/zinc/69/74/40/1080697440.db2.gz UFIGHDWWCHOKCT-UKRRQHHQSA-N -1 0 361.417 2.529 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2cccnc2)o1 ZINC001589837428 1080790288 /nfs/dbraw/zinc/79/02/88/1080790288.db2.gz ZSUUNSDVBDTXIH-UHFFFAOYSA-N -1 0 354.418 2.869 20 30 FFEDRM CC(C)(C)OC(=O)N1CCC[C@H](CNc2ccc(C(=O)[O-])nc2C#N)C1 ZINC001590016378 1080943057 /nfs/dbraw/zinc/94/30/57/1080943057.db2.gz YPWLUMQCTMAFNK-GFCCVEGCSA-N -1 0 360.414 2.710 20 30 FFEDRM C[C@@H](Oc1ccc(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)cc1)C(=O)[O-] ZINC001590024086 1080950450 /nfs/dbraw/zinc/95/04/50/1080950450.db2.gz WTTRSPZJPNCOEL-LJJSCBMDSA-N -1 0 370.390 2.676 20 30 FFEDRM N#Cc1ccc(OC2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC000272595393 252075088 /nfs/dbraw/zinc/07/50/88/252075088.db2.gz WMGLTGRCINLEJL-UHFFFAOYSA-N -1 0 367.361 2.856 20 30 FFEDRM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1nc(Cl)c(C#N)s1 ZINC000288179921 257157225 /nfs/dbraw/zinc/15/72/25/257157225.db2.gz BKZGRCMIDNHUJP-SECBINFHSA-N -1 0 371.875 2.585 20 30 FFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C(=O)N(C)C(C)C ZINC000288337302 257177012 /nfs/dbraw/zinc/17/70/12/257177012.db2.gz VZFIAAUNZGUJPH-UHFFFAOYSA-N -1 0 361.423 2.741 20 30 FFEDRM N#CCCCCS(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000377173530 512151566 /nfs/dbraw/zinc/15/15/66/512151566.db2.gz MSOBNTOYERYIGI-UHFFFAOYSA-N -1 0 354.819 2.503 20 30 FFEDRM CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000032592483 506268717 /nfs/dbraw/zinc/26/87/17/506268717.db2.gz ZZCZIPPGXUETPM-UHFFFAOYSA-N -1 0 363.826 2.714 20 30 FFEDRM N#C[C@H]1N(C(=O)c2cc(F)c(F)c([O-])c2F)CCC[C@]12CCCCO2 ZINC000377278381 512198450 /nfs/dbraw/zinc/19/84/50/512198450.db2.gz PKXQOGQOYYXXRL-SJKOYZFVSA-N -1 0 354.328 2.877 20 30 FFEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3nn(C)cc3C#N)c2)n1 ZINC000410333988 512241301 /nfs/dbraw/zinc/24/13/01/512241301.db2.gz BBMKLTAAKUUDLQ-UHFFFAOYSA-N -1 0 359.436 2.525 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000375268434 512241766 /nfs/dbraw/zinc/24/17/66/512241766.db2.gz DAUGQMZLXBKPOU-GFCCVEGCSA-N -1 0 362.432 2.844 20 30 FFEDRM C=CCNC(=O)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000053852624 506456232 /nfs/dbraw/zinc/45/62/32/506456232.db2.gz PVIKYUJDGZABRI-UHFFFAOYSA-N -1 0 355.419 2.505 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)n(CCC#N)n1 ZINC000066247930 506457529 /nfs/dbraw/zinc/45/75/29/506457529.db2.gz NFJWQVXXEDGUQN-UHFFFAOYSA-N -1 0 369.244 2.669 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(Cc2ccccc2)n1 ZINC000066250971 506459083 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Cc1ccc(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)c(C)c1C(=O)[O-] ZINC000618632222 521153909 /nfs/dbraw/zinc/15/39/09/521153909.db2.gz PZACRHCAEBAVBV-INIZCTEOSA-N -1 0 370.430 2.839 20 30 FFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593922862 521296435 /nfs/dbraw/zinc/29/64/35/521296435.db2.gz NUNJILYSITYZDZ-AFAVFJNCSA-N -1 0 350.374 2.755 20 30 FFEDRM Cc1c2ccccc2c(=O)oc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000593988887 521333571 /nfs/dbraw/zinc/33/35/71/521333571.db2.gz JZOQUSYYAWTIHV-UHFFFAOYSA-N -1 0 350.378 2.599 20 30 FFEDRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@@](F)(C#N)C2)s1)c1ccccc1 ZINC000615531382 521431265 /nfs/dbraw/zinc/43/12/65/521431265.db2.gz KNSRLMIEFKDVDD-SUMWQHHRSA-N -1 0 359.430 2.971 20 30 FFEDRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@](F)(C#N)C2)s1)c1ccccc1 ZINC000615531377 521431970 /nfs/dbraw/zinc/43/19/70/521431970.db2.gz KNSRLMIEFKDVDD-CXAGYDPISA-N -1 0 359.430 2.971 20 30 FFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)c1 ZINC000619462651 521580914 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FFEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1C#N ZINC000508752557 561771648 /nfs/dbraw/zinc/77/16/48/561771648.db2.gz CWRMEIKEWKOYPW-UHFFFAOYSA-N -1 0 354.351 2.874 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1C#N ZINC000508771327 561772240 /nfs/dbraw/zinc/77/22/40/561772240.db2.gz XQMIFUMIXFFWQQ-UHFFFAOYSA-N -1 0 357.377 2.635 20 30 FFEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)N2CC[C@@H]2c2cccc(F)c2)[n-]1 ZINC000611361755 554627869 /nfs/dbraw/zinc/62/78/69/554627869.db2.gz IYTQRQUDEQSEKY-OAHLLOKOSA-N -1 0 369.400 2.561 20 30 FFEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000512134265 561893704 /nfs/dbraw/zinc/89/37/04/561893704.db2.gz VBAKNIDZVYUIKM-UHFFFAOYSA-N -1 0 373.347 2.977 20 30 FFEDRM O=C1c2ccc(-c3nn[nH]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000823503360 599114540 /nfs/dbraw/zinc/11/45/40/599114540.db2.gz DPGIIOSVCUMSGW-GHXNOFRVSA-N -1 0 363.333 2.693 20 30 FFEDRM COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1-c1nn[nH]n1 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N#Cc1cccc([C@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)c1 ZINC000821340324 598178285 /nfs/dbraw/zinc/17/82/85/598178285.db2.gz CFUDGOFZDMXOMZ-QGZVFWFLSA-N -1 0 351.362 2.862 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000819857311 598223248 /nfs/dbraw/zinc/22/32/48/598223248.db2.gz VMUFNKCTURIEDO-QGZVFWFLSA-N -1 0 358.423 2.840 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000819864812 598225076 /nfs/dbraw/zinc/22/50/76/598225076.db2.gz DVALEJLEHBWDKZ-AWEZNQCLSA-N -1 0 350.787 2.802 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000819833530 598225201 /nfs/dbraw/zinc/22/52/01/598225201.db2.gz HRXGYDVFNBXBQV-QGZVFWFLSA-N -1 0 364.829 2.509 20 30 FFEDRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820959072 598225692 /nfs/dbraw/zinc/22/56/92/598225692.db2.gz HZNKPCMPURHCFO-VLIAUNLRSA-N -1 0 371.437 2.953 20 30 FFEDRM CSc1ccc(-c2nsc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)cc1 ZINC000820909904 598229096 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CCCCCCCCc1nnc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000736982858 600006460 /nfs/dbraw/zinc/00/64/60/600006460.db2.gz DNMVCZCSDKQZPG-GFCCVEGCSA-N -1 0 370.475 2.758 20 30 FFEDRM N#Cc1ccc(N2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c(F)c1 ZINC000739123953 600100065 /nfs/dbraw/zinc/10/00/65/600100065.db2.gz ZJJQCGZZUWRBHA-UHFFFAOYSA-N -1 0 357.360 2.857 20 30 FFEDRM Cn1nccc1C=Nn1c(-c2cc(C(=O)[O-])co2)csc1=NC(C)(C)C ZINC000739062981 600145908 /nfs/dbraw/zinc/14/59/08/600145908.db2.gz SKPOSDVZZZOLNJ-UHFFFAOYSA-N -1 0 373.438 2.823 20 30 FFEDRM C[C@H](OC(=O)CCCNC(=O)[O-])C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000736689211 600197343 /nfs/dbraw/zinc/19/73/43/600197343.db2.gz PPGLXWBXEFHQHA-VLURKWGBSA-N -1 0 374.437 2.847 20 30 FFEDRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000738331229 600201322 /nfs/dbraw/zinc/20/13/22/600201322.db2.gz HPOQHUYFOQPOSH-HXUWFJFHSA-N -1 0 351.406 2.949 20 30 FFEDRM CC[C@](NC(=O)Cc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000736911781 600202463 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ZINC000738487599 600612980 /nfs/dbraw/zinc/61/29/80/600612980.db2.gz BZUYEXVIWMUZBO-MRXNPFEDSA-N -1 0 351.318 2.833 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)C(=O)[O-])cc1 ZINC000739115963 600613263 /nfs/dbraw/zinc/61/32/63/600613263.db2.gz WLNWOAFGXAYVGS-INIZCTEOSA-N -1 0 365.301 2.930 20 30 FFEDRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736866799 600615570 /nfs/dbraw/zinc/61/55/70/600615570.db2.gz ATXFTRSEDLXFMV-IAOVAPTHSA-N -1 0 372.421 2.512 20 30 FFEDRM C[C@H](CN(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000736574464 600617809 /nfs/dbraw/zinc/61/78/09/600617809.db2.gz DHXWLYGZYATNHU-CQSZACIVSA-N -1 0 352.390 2.930 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)C[C@H]2OCCc3ccccc32)C(=O)[O-])cc1 ZINC000739107911 600618756 /nfs/dbraw/zinc/61/87/56/600618756.db2.gz CRSARZDRKCOEDO-MJGOQNOKSA-N -1 0 351.358 2.931 20 30 FFEDRM COC(=O)c1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1C(=O)[O-] ZINC000831404127 600662782 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369.333 2.538 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830811072 600819140 /nfs/dbraw/zinc/81/91/40/600819140.db2.gz LEHRKTRFBCSWQL-OAHLLOKOSA-N -1 0 355.419 2.555 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736700932 600847861 /nfs/dbraw/zinc/84/78/61/600847861.db2.gz PMAIGIOZTAKRAW-DZGCQCFKSA-N -1 0 350.374 2.931 20 30 FFEDRM CCC1=C(C(=O)[O-])[C@H](c2ccc(OC)c(C#N)c2)NC(=O)N1CC1CC1 ZINC000736932196 601045750 /nfs/dbraw/zinc/04/57/50/601045750.db2.gz MYUGEPQXIUHYBI-KRWDZBQOSA-N -1 0 355.394 2.792 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000825681915 601163181 /nfs/dbraw/zinc/16/31/81/601163181.db2.gz MIZUHTUYNJJYFS-UHFFFAOYSA-N -1 0 366.417 2.889 20 30 FFEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829601918 601216826 /nfs/dbraw/zinc/21/68/26/601216826.db2.gz FHUUHQBPXNYWCF-LLVKDONJSA-N -1 0 362.407 2.930 20 30 FFEDRM C[C@@H]1CN(c2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)C[C@H](C)O1 ZINC000828499659 601300518 /nfs/dbraw/zinc/30/05/18/601300518.db2.gz FAIHUXHRLKVHRH-BIENJYKASA-N -1 0 366.421 2.805 20 30 FFEDRM CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000830661097 601318005 /nfs/dbraw/zinc/31/80/05/601318005.db2.gz OWIQSJACHBZCBA-ZWKOTPCHSA-N -1 0 367.380 2.560 20 30 FFEDRM CC(=O)Nc1c(C)cccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825884371 601345502 /nfs/dbraw/zinc/34/55/02/601345502.db2.gz LDUDRFSVHQZKHF-KRWDZBQOSA-N -1 0 352.346 2.808 20 30 FFEDRM COc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832293036 601346691 /nfs/dbraw/zinc/34/66/91/601346691.db2.gz WZDPGWYCNGZYPQ-IBGZPJMESA-N -1 0 369.373 2.877 20 30 FFEDRM COc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1O ZINC000832292638 601351170 /nfs/dbraw/zinc/35/11/70/601351170.db2.gz KIERNFYVKOGFRD-SFHVURJKSA-N -1 0 355.346 2.574 20 30 FFEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000826061577 601353334 /nfs/dbraw/zinc/35/33/34/601353334.db2.gz ZFYAHYWMWVJNHH-IFXJQAMLSA-N -1 0 364.401 2.674 20 30 FFEDRM CN(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(Cl)n1 ZINC000830631326 601353777 /nfs/dbraw/zinc/35/37/77/601353777.db2.gz BVTALYCQLDEUFC-OAHLLOKOSA-N -1 0 359.769 2.655 20 30 FFEDRM N#Cc1cccc([C@H](OC(=O)c2cc(=O)[nH]c3ccc(F)cc32)C(=O)[O-])c1 ZINC000833075415 601354088 /nfs/dbraw/zinc/35/40/88/601354088.db2.gz BBTROCVGQZYWMZ-KRWDZBQOSA-N -1 0 366.304 2.934 20 30 FFEDRM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccncc1 ZINC000825665398 601362631 /nfs/dbraw/zinc/36/26/31/601362631.db2.gz ZVILTUXSQUNBFF-MRXNPFEDSA-N -1 0 368.393 2.568 20 30 FFEDRM COC(=O)c1ccc(/C=C2\CSC/C(=C/c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831378650 601445020 /nfs/dbraw/zinc/44/50/20/601445020.db2.gz BHMQKGXNBCIWIF-NAKBGQTNSA-N -1 0 372.402 2.611 20 30 FFEDRM N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000315713520 601477585 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FFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738800349 601895133 /nfs/dbraw/zinc/89/51/33/601895133.db2.gz MRAHIZGFGITRNZ-DOTOQJQBSA-N -1 0 359.426 2.562 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)o1 ZINC000740324137 601983907 /nfs/dbraw/zinc/98/39/07/601983907.db2.gz ULXHKDINHJJZKZ-UHFFFAOYSA-N -1 0 369.377 2.602 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832910435 601986915 /nfs/dbraw/zinc/98/69/15/601986915.db2.gz JVBJGKNJINOLHS-UHFFFAOYSA-N -1 0 363.416 2.811 20 30 FFEDRM COc1ccc(NC(=S)NN=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000794864443 602067085 /nfs/dbraw/zinc/06/70/85/602067085.db2.gz AWEUQLLFOHBXCD-GFCCVEGCSA-N -1 0 373.434 2.868 20 30 FFEDRM C[C@@H](Oc1ccc(/C=C2/N=C(c3ccc(C#N)cc3)OC2=O)cc1)C(=O)[O-] ZINC000794691073 602067088 /nfs/dbraw/zinc/06/70/88/602067088.db2.gz YVUGRPATYJEFEW-YXHQGMJNSA-N -1 0 362.341 2.755 20 30 FFEDRM C[C@@H](Oc1ccc(CN=Nc2c(F)c(F)nc(F)c2F)cc1)C(=O)[O-] ZINC000794876876 602068446 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N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740323607 602461781 /nfs/dbraw/zinc/46/17/81/602461781.db2.gz QUCBJTXSZCMVLV-MRXNPFEDSA-N -1 0 359.426 2.614 20 30 FFEDRM N#CCOc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740305183 602494465 /nfs/dbraw/zinc/49/44/65/602494465.db2.gz GFMOEZXVHNQZQY-QZTJIDSGSA-N -1 0 371.437 2.655 20 30 FFEDRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)CSc1ccc(C#N)cc1 ZINC000739095633 602508271 /nfs/dbraw/zinc/50/82/71/602508271.db2.gz MMHHMAZFMVCVCZ-ACJLOTCBSA-N -1 0 361.467 2.983 20 30 FFEDRM N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCCN3C(=O)[O-])o2)cc1 ZINC000740319149 602581581 /nfs/dbraw/zinc/58/15/81/602581581.db2.gz LMXHFYXKRURMOY-CQSZACIVSA-N -1 0 369.377 2.602 20 30 FFEDRM C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738469533 602599712 /nfs/dbraw/zinc/59/97/12/602599712.db2.gz BAWRSBCFNVMPSL-UHFFFAOYSA-N -1 0 352.350 2.518 20 30 FFEDRM C[C@@H](CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)NC(=O)[O-] ZINC000738900698 602606515 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CCOc1ccc(-c2nc(Cn3cc(C(=O)[O-])cc(C#N)c3=O)co2)cc1 ZINC000830053880 604785937 /nfs/dbraw/zinc/78/59/37/604785937.db2.gz BCZXLKFNZPIOGA-UHFFFAOYSA-N -1 0 365.345 2.520 20 30 FFEDRM CC(C)(C)OC(=O)Nc1cccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1 ZINC000833445427 604904629 /nfs/dbraw/zinc/90/46/29/604904629.db2.gz VHMKVBSFYCVZEP-UHFFFAOYSA-N -1 0 369.377 2.813 20 30 FFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cc(F)ccc1C ZINC000833376481 604911439 /nfs/dbraw/zinc/91/14/39/604911439.db2.gz WLQMUTYQIXUZJA-UHFFFAOYSA-N -1 0 356.400 2.670 20 30 FFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000833376062 604912754 /nfs/dbraw/zinc/91/27/54/604912754.db2.gz MKCHPPLBBGTTAO-UHFFFAOYSA-N -1 0 356.400 2.670 20 30 FFEDRM C=C(Br)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825642420 604961705 /nfs/dbraw/zinc/96/17/05/604961705.db2.gz RSXRSFHNDPMRRD-AWEZNQCLSA-N -1 0 373.678 2.992 20 30 FFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833747537 605003745 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CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000134161219 728728868 /nfs/dbraw/zinc/72/88/68/728728868.db2.gz XYMWENQNGBINQF-GFCCVEGCSA-N -1 0 359.769 2.596 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cnc(-c3ccco3)s2)c1 ZINC000171499913 729006189 /nfs/dbraw/zinc/00/61/89/729006189.db2.gz ZTFZVKNXCOCQAK-UHFFFAOYSA-N -1 0 373.415 2.535 20 30 FFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2nccn2CC(F)(F)F)c1 ZINC000171538879 729006631 /nfs/dbraw/zinc/00/66/31/729006631.db2.gz TZZBEACRDVSXIM-SNAWJCMRSA-N -1 0 354.284 2.805 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)cc1Cl ZINC000171660462 729010138 /nfs/dbraw/zinc/01/01/38/729010138.db2.gz UESKQCWYPJDKKQ-UHFFFAOYSA-N -1 0 373.821 2.741 20 30 FFEDRM CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000175087074 729086585 /nfs/dbraw/zinc/08/65/85/729086585.db2.gz NMAWQXARAHMHAD-UHFFFAOYSA-N -1 0 356.447 2.903 20 30 FFEDRM N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000175685721 729099825 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CSc1nccn1-c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000193358494 729476286 /nfs/dbraw/zinc/47/62/86/729476286.db2.gz ZYXJYJUVJWLFFE-HNNXBMFYSA-N -1 0 354.435 2.539 20 30 FFEDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000255042499 729630055 /nfs/dbraw/zinc/63/00/55/729630055.db2.gz XNVAIVOPIYUMDT-SREVYHEPSA-N -1 0 360.357 2.984 20 30 FFEDRM CNC(=O)c1cccc(CC/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255397615 729639255 /nfs/dbraw/zinc/63/92/55/729639255.db2.gz QVYJLYVUELKZCA-JMIUGGIZSA-N -1 0 361.785 2.975 20 30 FFEDRM CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c1 ZINC000255617271 729643894 /nfs/dbraw/zinc/64/38/94/729643894.db2.gz YZMSYMWXZYPPJY-SREVYHEPSA-N -1 0 367.373 2.817 20 30 FFEDRM C#CCOc1ccc([C@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000759486039 736572467 /nfs/dbraw/zinc/57/24/67/736572467.db2.gz DWVIKGGUGYAGLM-NSHDSACASA-N -1 0 357.328 2.760 20 30 FFEDRM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000329640316 729798318 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O=C(N=c1[n-]nc(C(F)(F)C(F)(F)F)s1)NCCC(F)(F)F ZINC000640385076 730147111 /nfs/dbraw/zinc/14/71/11/730147111.db2.gz YAQZIMISPCUKFE-UHFFFAOYSA-N -1 0 358.214 2.688 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000856750336 730354493 /nfs/dbraw/zinc/35/44/93/730354493.db2.gz ACFJBPSIUCKRTC-QMMMGPOBSA-N -1 0 355.193 2.699 20 30 FFEDRM CC(C)[C@@H](F)C(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000857631181 730402926 /nfs/dbraw/zinc/40/29/26/730402926.db2.gz OWNRXVZMKHTJPU-HRDYMLBCSA-N -1 0 366.277 2.581 20 30 FFEDRM CN(C)C(=O)[C@@](C)([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(F)(F)F ZINC000857636511 730403435 /nfs/dbraw/zinc/40/34/35/730403435.db2.gz RLJNRUVTXRUAJG-GFCCVEGCSA-N -1 0 374.256 2.582 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnn(C(C)C)c2Cl)n1 ZINC000860210645 730487811 /nfs/dbraw/zinc/48/78/11/730487811.db2.gz URCGADQCFZQXBB-SNVBAGLBSA-N -1 0 366.830 2.916 20 30 FFEDRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C1(C)C ZINC000861013330 730567159 /nfs/dbraw/zinc/56/71/59/730567159.db2.gz XBQQXEDSGBEHEC-GDBMZVCRSA-N -1 0 364.442 2.882 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000779848053 738489845 /nfs/dbraw/zinc/48/98/45/738489845.db2.gz JRSYWSHHDREFDA-SNVBAGLBSA-N -1 0 359.363 2.625 20 30 FFEDRM C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000863421626 730778940 /nfs/dbraw/zinc/77/89/40/730778940.db2.gz UEICWNKBHXHSGY-SECBINFHSA-N -1 0 351.877 2.920 20 30 FFEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000863421787 730778974 /nfs/dbraw/zinc/77/89/74/730778974.db2.gz WAJJDCOOLOCDJF-JTQLQIEISA-N -1 0 357.737 2.580 20 30 FFEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000863421294 730779010 /nfs/dbraw/zinc/77/90/10/730779010.db2.gz QLUZNOKUMOAQNP-HNNXBMFYSA-N -1 0 373.858 2.882 20 30 FFEDRM CCCCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000863429600 730780713 /nfs/dbraw/zinc/78/07/13/730780713.db2.gz ROOKXUTVJURDFL-UHFFFAOYSA-N -1 0 359.444 2.651 20 30 FFEDRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C#N)cc1NC(=O)OC(C)(C)C ZINC000863447056 730782870 /nfs/dbraw/zinc/78/28/70/730782870.db2.gz GVSKCFMHJKLJNZ-NSHDSACASA-N -1 0 369.443 2.682 20 30 FFEDRM Cc1nnc([S-])n(N=Cc2cc(Br)ccc2Cl)c1=O ZINC000767752353 737364407 /nfs/dbraw/zinc/36/44/07/737364407.db2.gz BRTRPMLKPSCVDH-UHFFFAOYSA-N -1 0 359.636 2.534 20 30 FFEDRM C=CCOC[C@H](NC(=O)Cc1csc2sc(CC)cc12)C(=O)[O-] ZINC000864145233 730825741 /nfs/dbraw/zinc/82/57/41/730825741.db2.gz GZEQJSDWQBFVND-ZDUSSCGKSA-N -1 0 353.465 2.840 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)C(=O)[O-] ZINC000864183373 730828767 /nfs/dbraw/zinc/82/87/67/730828767.db2.gz JIQMEDUCSFUSMT-LLVKDONJSA-N -1 0 372.805 2.630 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000864186178 730829315 /nfs/dbraw/zinc/82/93/15/730829315.db2.gz KFQUUXPKSQQSGE-NSHDSACASA-N -1 0 351.708 2.840 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000864186311 730829350 /nfs/dbraw/zinc/82/93/50/730829350.db2.gz MOOUTGGBWBIXOH-MFKMUULPSA-N -1 0 355.818 2.594 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)C(=O)[O-] ZINC000864188393 730829529 /nfs/dbraw/zinc/82/95/29/730829529.db2.gz IDYXMIZISZHZNE-SECBINFHSA-N -1 0 370.780 2.893 20 30 FFEDRM C=CCOc1ccc(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)cc1 ZINC000864220325 730832690 /nfs/dbraw/zinc/83/26/90/730832690.db2.gz DKNQKPGJMSIHSD-GFCCVEGCSA-N -1 0 363.357 2.730 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000864608822 730864492 /nfs/dbraw/zinc/86/44/92/730864492.db2.gz UXQRPMCPOVCXNZ-IUODEOHRSA-N -1 0 355.316 2.668 20 30 FFEDRM N#CCCCS(=O)(=O)[N-]C(=O)Cc1cc(Cl)cc2ccccc21 ZINC000870269435 731489059 /nfs/dbraw/zinc/48/90/59/731489059.db2.gz FDGUDMHLRHHPPT-UHFFFAOYSA-N -1 0 350.827 2.785 20 30 FFEDRM CC(C)[C@H](C(=O)[N-]Oc1cccc(C#N)c1)S(=O)(=O)C1CCCCC1 ZINC000870693022 731545381 /nfs/dbraw/zinc/54/53/81/731545381.db2.gz VQNLRDFZQFMOJC-QGZVFWFLSA-N -1 0 364.467 2.740 20 30 FFEDRM CC(C)[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)S(=O)(=O)C1CCCCC1 ZINC000870693021 731545407 /nfs/dbraw/zinc/54/54/07/731545407.db2.gz VQNLRDFZQFMOJC-KRWDZBQOSA-N -1 0 364.467 2.740 20 30 FFEDRM C=CCCO[C@@H](C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000870769162 731554394 /nfs/dbraw/zinc/55/43/94/731554394.db2.gz SAARFKOAGUPLHM-JTQLQIEISA-N -1 0 362.323 2.924 20 30 FFEDRM C=CCCn1cc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)nn1 ZINC000656565164 731598790 /nfs/dbraw/zinc/59/87/90/731598790.db2.gz HDKVAWHDDKKENY-AWEZNQCLSA-N -1 0 365.231 2.532 20 30 FFEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000871988098 731712270 /nfs/dbraw/zinc/71/22/70/731712270.db2.gz IUTHJYFBUJACSZ-GASCZTMLSA-N -1 0 363.435 2.606 20 30 FFEDRM O=S(=O)([N-]c1nncs1)c1ccc(N=NC2CCC[C@@H]2F)cc1 ZINC000872355414 731755027 /nfs/dbraw/zinc/75/50/27/731755027.db2.gz IUKXIFNBARIEPU-NSHDSACASA-N -1 0 355.420 2.629 20 30 FFEDRM CCn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C ZINC000872422191 731764499 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20 30 FFEDRM C=CC[C@@H](NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001321107175 1045547683 /nfs/dbraw/zinc/54/76/83/1045547683.db2.gz QELIUUSXYTYWFD-TYNCELHUSA-N -1 0 365.405 2.590 20 30 FFEDRM C=CC[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)C(=O)[O-] ZINC001321203572 1045584401 /nfs/dbraw/zinc/58/44/01/1045584401.db2.gz JDXGMJXAMMCRTP-ZDUSSCGKSA-N -1 0 368.418 2.755 20 30 FFEDRM C=C(C)[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC001324473359 1046051535 /nfs/dbraw/zinc/05/15/35/1046051535.db2.gz CZSRFOHDYAGMGI-GFCCVEGCSA-N -1 0 366.286 2.698 20 30 FFEDRM C=CC[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)[O-] ZINC001322598676 1046145354 /nfs/dbraw/zinc/14/53/54/1046145354.db2.gz FGRGUCCFRWQFPT-MRXNPFEDSA-N -1 0 362.389 2.693 20 30 FFEDRM C=CC[C@H](NC(=O)NC[C@H](C)Oc1cccc(Br)c1)C(=O)[O-] ZINC001324650427 1046147073 /nfs/dbraw/zinc/14/70/73/1046147073.db2.gz BFBZOFKFTCGJBA-GWCFXTLKSA-N -1 0 371.231 2.545 20 30 FFEDRM 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FFEDRM C=C(C)Cn1c(Cc2ncccc2C)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588598968 1080119568 /nfs/dbraw/zinc/11/95/68/1080119568.db2.gz TUYIGZIDYQGOKE-YWZLYKJASA-N -1 0 369.469 2.695 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001588614390 1080122812 /nfs/dbraw/zinc/12/28/12/1080122812.db2.gz TUDOEADXPJVLBN-AWEZNQCLSA-N -1 0 354.447 2.513 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001588614400 1080122889 /nfs/dbraw/zinc/12/28/89/1080122889.db2.gz TZIKHUAEUIBILV-ZDUSSCGKSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC001588630438 1080128384 /nfs/dbraw/zinc/12/83/84/1080128384.db2.gz KYJQTSRVHXXXMR-KRWDZBQOSA-N -1 0 359.422 2.621 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001588629491 1080128626 /nfs/dbraw/zinc/12/86/26/1080128626.db2.gz CGPXKBPDLJXEII-UHFFFAOYSA-N -1 0 374.437 2.975 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(=O)[O-])C(C)C ZINC001588641409 1080134908 /nfs/dbraw/zinc/13/49/08/1080134908.db2.gz AXBLTKUBQKZMHZ-GFCCVEGCSA-N -1 0 362.854 2.734 20 30 FFEDRM C=C[C@H](Sc1nc2ccccc2c(=O)n1-c1cc(C)ccn1)C(=O)[O-] ZINC001588714480 1080166324 /nfs/dbraw/zinc/16/63/24/1080166324.db2.gz HJXNOIADCNVNAZ-AWEZNQCLSA-N -1 0 353.403 2.820 20 30 FFEDRM C=CCC[C@@H](NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001588779082 1080191851 /nfs/dbraw/zinc/19/18/51/1080191851.db2.gz SGPLMVAXPQHHOG-HYVNUMGLSA-N -1 0 358.438 2.570 20 30 FFEDRM C=CCC[C@H](NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588779411 1080191920 /nfs/dbraw/zinc/19/19/20/1080191920.db2.gz XORGRPSCUOREJO-CVEARBPZSA-N -1 0 369.425 2.640 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)C(=O)[O-] ZINC001588784966 1080195729 /nfs/dbraw/zinc/19/57/29/1080195729.db2.gz DOIIGOBYCUPKIX-LIRRHRJNSA-N -1 0 351.443 2.980 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001588789832 1080196633 /nfs/dbraw/zinc/19/66/33/1080196633.db2.gz KSEKRFZPFVBFEC-DOMZBBRYSA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(NC(=O)OCC)ccc1F)C(=O)[O-] ZINC001588792329 1080197507 /nfs/dbraw/zinc/19/75/07/1080197507.db2.gz DCNUKNMRHKPJQE-AWEZNQCLSA-N -1 0 352.362 2.933 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1)C(=O)[O-] ZINC001588790576 1080197798 /nfs/dbraw/zinc/19/77/98/1080197798.db2.gz ZHTQDQYEAFHEPQ-CVEARBPZSA-N -1 0 358.438 2.582 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1)C(=O)[O-] ZINC001588790144 1080197900 /nfs/dbraw/zinc/19/79/00/1080197900.db2.gz RNHWQRSOXYBZIS-AEFFLSMTSA-N -1 0 372.465 2.918 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588793364 1080198871 /nfs/dbraw/zinc/19/88/71/1080198871.db2.gz PNZPQYCHRILZFK-OAHLLOKOSA-N -1 0 372.381 2.535 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1)C(=O)[O-] ZINC001588792980 1080198947 /nfs/dbraw/zinc/19/89/47/1080198947.db2.gz JKDWAFRIQWHNFM-CQSZACIVSA-N -1 0 363.414 2.968 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)C(=O)[O-] ZINC001588792857 1080198986 /nfs/dbraw/zinc/19/89/86/1080198986.db2.gz GWBVSXQTNJHQFN-KRWDZBQOSA-N -1 0 367.405 2.873 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C(=O)[O-] ZINC001588798147 1080200375 /nfs/dbraw/zinc/20/03/75/1080200375.db2.gz VJPNVHTYLLOOOE-OAHLLOKOSA-N -1 0 354.410 2.684 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cnn2cccc(Br)c12)C(=O)[O-] ZINC001588798296 1080200395 /nfs/dbraw/zinc/20/03/95/1080200395.db2.gz ZVEXWTXKIPSOMH-GFCCVEGCSA-N -1 0 366.215 2.636 20 30 FFEDRM C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588802725 1080202867 /nfs/dbraw/zinc/20/28/67/1080202867.db2.gz VVTVMOOHRXSELX-INIZCTEOSA-N -1 0 362.474 2.829 20 30 FFEDRM C=CCN(C(=O)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@@H](C)COC ZINC001588820028 1080207143 /nfs/dbraw/zinc/20/71/43/1080207143.db2.gz NHBHWRRAPRBLTC-ZDUSSCGKSA-N -1 0 370.405 2.526 20 30 FFEDRM C=CCN(CCc1ccco1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588829162 1080209573 /nfs/dbraw/zinc/20/95/73/1080209573.db2.gz GJHFXNDPFKGVJA-HNNXBMFYSA-N -1 0 360.435 2.875 20 30 FFEDRM C=CCN1C(=O)N(c2cccc(C(=O)[O-])c2)C(=O)[C@@H]1Cc1ccccc1 ZINC001588832116 1080212068 /nfs/dbraw/zinc/21/20/68/1080212068.db2.gz BRSBJLLBDNQTFP-KRWDZBQOSA-N -1 0 350.374 2.951 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)C(=O)[O-] ZINC001588859307 1080220279 /nfs/dbraw/zinc/22/02/79/1080220279.db2.gz HRMCPUOFPCSOJS-GOSISDBHSA-N -1 0 365.389 2.616 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)C(=O)[O-] ZINC001588861183 1080220949 /nfs/dbraw/zinc/22/09/49/1080220949.db2.gz BXCAVPUTCCOOBW-LJQANCHMSA-N -1 0 353.418 2.857 20 30 FFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)cc1OC ZINC001588874630 1080225287 /nfs/dbraw/zinc/22/52/87/1080225287.db2.gz CFGCAXWPKCYGMB-SFHVURJKSA-N -1 0 371.389 2.824 20 30 FFEDRM C=CCc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc(OC)c1OC ZINC001588882541 1080231495 /nfs/dbraw/zinc/23/14/95/1080231495.db2.gz XYAZHKLSKFOSCM-MIGQKNRLSA-N -1 0 359.422 2.661 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001588885122 1080233026 /nfs/dbraw/zinc/23/30/26/1080233026.db2.gz MFAIHRSHCQTTNR-UHFFFAOYSA-N -1 0 372.333 2.953 20 30 FFEDRM C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588886543 1080233932 /nfs/dbraw/zinc/23/39/32/1080233932.db2.gz LIPBCJSPNABFPN-LJQANCHMSA-N -1 0 351.410 2.913 20 30 FFEDRM C=CCc1cc(CNc2ccc(C(=O)NCC(=O)[O-])cc2)cc(OC)c1O ZINC001588885368 1080234176 /nfs/dbraw/zinc/23/41/76/1080234176.db2.gz JHZIAVRCXDNCBY-UHFFFAOYSA-N -1 0 370.405 2.556 20 30 FFEDRM C=CCn1c(-c2ccc3ncccc3c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588889135 1080236431 /nfs/dbraw/zinc/23/64/31/1080236431.db2.gz NAZUZAHDDIKYIR-UHFFFAOYSA-N -1 0 363.421 2.980 20 30 FFEDRM C=CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588889904 1080237762 /nfs/dbraw/zinc/23/77/62/1080237762.db2.gz GWYYFPFLIVRWGT-CQSZACIVSA-N -1 0 369.425 2.923 20 30 FFEDRM C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895493 1080244969 /nfs/dbraw/zinc/24/49/69/1080244969.db2.gz HEANIMOKODFGAA-KGLIPLIRSA-N -1 0 364.490 2.666 20 30 FFEDRM C=CCn1c([C@@H](C)N(C)Cc2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588895598 1080245167 /nfs/dbraw/zinc/24/51/67/1080245167.db2.gz JGGFKLBQQDZTFV-NVXWUHKLSA-N -1 0 369.469 2.568 20 30 FFEDRM C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588896482 1080246033 /nfs/dbraw/zinc/24/60/33/1080246033.db2.gz KDZTTXFUTMKUOJ-GRYCIOLGSA-N -1 0 359.455 2.736 20 30 FFEDRM C=CCn1c([C@@H]2CCCc3cccnc32)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588896959 1080246197 /nfs/dbraw/zinc/24/61/97/1080246197.db2.gz GQEWXSXOOBDDIB-QRWLVFNGSA-N -1 0 367.453 2.628 20 30 FFEDRM C=CCn1c([C@@H]2C[C@H]2OCCCC)nnc1N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001588897671 1080246947 /nfs/dbraw/zinc/24/69/47/1080246947.db2.gz SVZUXTFHMCOHEB-DEXNDLTESA-N -1 0 362.474 2.684 20 30 FFEDRM C=CCn1c(Cc2ccc(Cl)s2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588904166 1080253419 /nfs/dbraw/zinc/25/34/19/1080253419.db2.gz JKAMRVZGFAVJLV-OAHLLOKOSA-N -1 0 370.837 2.773 20 30 FFEDRM CC(C)C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)C(=O)[O-] ZINC001588905537 1080254941 /nfs/dbraw/zinc/25/49/41/1080254941.db2.gz HQOKFKKTIZWAGQ-NSHDSACASA-N -1 0 352.437 2.551 20 30 FFEDRM C=CCn1c(Sc2cc(C(=O)[O-])ncn2)nnc1-c1ccccc1F ZINC001588907770 1080256318 /nfs/dbraw/zinc/25/63/18/1080256318.db2.gz WLBSUHNHPSRNKY-UHFFFAOYSA-N -1 0 357.370 2.910 20 30 FFEDRM C=CCn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588910319 1080257922 /nfs/dbraw/zinc/25/79/22/1080257922.db2.gz QLVCWTVGIYYRRT-JXFKEZNVSA-N -1 0 368.437 2.579 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001588916380 1080263666 /nfs/dbraw/zinc/26/36/66/1080263666.db2.gz JEKJPDTYXWDKNS-PELKAZGASA-N -1 0 370.199 2.686 20 30 FFEDRM CC(C)[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC001588958133 1080283434 /nfs/dbraw/zinc/28/34/34/1080283434.db2.gz TXNZVQOBNRBZFV-SFHVURJKSA-N -1 0 352.390 2.976 20 30 FFEDRM C[C@@](CNC(=O)Nc1ccc(F)cc1OCC#N)(C(=O)[O-])c1ccccc1 ZINC001589056027 1080329895 /nfs/dbraw/zinc/32/98/95/1080329895.db2.gz GIZCPUTYPAQROS-IBGZPJMESA-N -1 0 371.368 2.892 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)N(CC#N)c2ccc(Cl)cc2)c(C(=O)[O-])c1C ZINC001589233999 1080435891 /nfs/dbraw/zinc/43/58/91/1080435891.db2.gz LXIDISXDHADCER-UHFFFAOYSA-N -1 0 373.796 2.977 20 30 FFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC001589274456 1080459115 /nfs/dbraw/zinc/45/91/15/1080459115.db2.gz FYWBMVMVCRASQW-HIFRSBDPSA-N -1 0 368.389 2.913 20 30 FFEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)n1ccc(C(F)(F)F)n1 ZINC001589540800 1080593012 /nfs/dbraw/zinc/59/30/12/1080593012.db2.gz RLFJJBWOXDFLRJ-ZANVPECISA-N -1 0 367.283 2.704 20 30 FFEDRM CC[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001589551159 1080601926 /nfs/dbraw/zinc/60/19/26/1080601926.db2.gz WTQAXYFOURHHQP-MRXNPFEDSA-N -1 0 352.390 2.978 20 30 FFEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C#N)cc1 ZINC001589557408 1080604898 /nfs/dbraw/zinc/60/48/98/1080604898.db2.gz CKCDTKRLKYKDTK-HNNXBMFYSA-N -1 0 366.483 2.969 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(C(C)(C)C)nc2)o1 ZINC001589664530 1080657074 /nfs/dbraw/zinc/65/70/74/1080657074.db2.gz KRWHWAVBAMDZKN-UHFFFAOYSA-N -1 0 369.433 2.587 20 30 FFEDRM CC(C)(C)C[C@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001589752147 1080704087 /nfs/dbraw/zinc/70/40/87/1080704087.db2.gz XZADYHVWHHCHHQ-NSHDSACASA-N -1 0 353.216 2.940 20 30 FFEDRM CC(C)(C)Nc1ccc(C(N)=NOCc2ccc(C(=O)[O-])c(F)c2)nc1 ZINC001589839400 1080791775 /nfs/dbraw/zinc/79/17/75/1080791775.db2.gz CGQMSXCHKQFOIX-UHFFFAOYSA-N -1 0 360.389 2.966 20 30 FFEDRM CC(C)(C)OC(=O)C1(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)CC=CC1 ZINC001589851898 1080803733 /nfs/dbraw/zinc/80/37/33/1080803733.db2.gz NCIXRUNIRKHRMF-UHFFFAOYSA-N -1 0 370.401 2.958 20 30 FFEDRM CC(C)(C)OC(=O)N1CC[C@H](CCNc2ccc(C(=O)[O-])nc2C#N)C1 ZINC001589974152 1080915200 /nfs/dbraw/zinc/91/52/00/1080915200.db2.gz MRGCJBOFSFAUMC-LBPRGKRZSA-N -1 0 360.414 2.710 20 30 FFEDRM C[C@@H](Oc1ccc(C=CC(=O)c2cccc(-c3nn[nH]n3)c2)cc1)C(=O)[O-] ZINC001590023500 1080949309 /nfs/dbraw/zinc/94/93/09/1080949309.db2.gz NPHMYFGCMLWMIK-OFFHKIPUSA-N -1 0 364.361 2.615 20 30 FFEDRM CC(C)(C)OC(=O)N1CCc2ccc(CN(CC#N)CCC(=O)[O-])cc2C1 ZINC001590085091 1080998828 /nfs/dbraw/zinc/99/88/28/1080998828.db2.gz PPFGIBKMGWLYQB-UHFFFAOYSA-N -1 0 373.453 2.780 20 30 FFEDRM CC(C)(C)OC(=O)NCC[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)C(F)F ZINC001590184202 1081072817 /nfs/dbraw/zinc/07/28/17/1081072817.db2.gz CTDHGYJBGPYZJT-SNVBAGLBSA-N -1 0 370.356 2.612 20 30 FFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000037465995 209286962 /nfs/dbraw/zinc/28/69/62/209286962.db2.gz ZLCSULGMUDKNBR-UHFFFAOYSA-N -1 0 366.258 2.572 20 30 FFEDRM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000036833170 208174243 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982412544 /nfs/dbraw/zinc/41/25/44/982412544.db2.gz ANONDLQGNMOSMA-UHFFFAOYSA-N -1 0 359.407 2.647 20 30 FFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001595885886 982910770 /nfs/dbraw/zinc/91/07/70/982910770.db2.gz LDCKYXRDGNJXBM-UHFFFAOYSA-N -1 0 358.423 2.835 20 30 FFEDRM CCNc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001596501425 984255555 /nfs/dbraw/zinc/25/55/55/984255555.db2.gz UMOFLKIGBBIIAT-CQSZACIVSA-N -1 0 370.434 2.967 20 30 FFEDRM COc1ccc(CCNN=C(C)c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000764690841 984632846 /nfs/dbraw/zinc/63/28/46/984632846.db2.gz YZKXLXBQMWBPAH-UHFFFAOYSA-N -1 0 359.382 2.874 20 30 FFEDRM N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000761106909 984787863 /nfs/dbraw/zinc/78/78/63/984787863.db2.gz VIEYCXHPTRDTIU-UHFFFAOYSA-N -1 0 366.442 2.728 20 30 FFEDRM C[C@H]1CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC[C@H]1C(=O)[O-] ZINC001599927593 985232449 /nfs/dbraw/zinc/23/24/49/985232449.db2.gz FNPBNWGVAYIRFJ-XQQFMLRXSA-N -1 0 357.435 2.515 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FFEDRM CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597511520 988091089 /nfs/dbraw/zinc/09/10/89/988091089.db2.gz AJTPMOMDDLYTRO-LSDHHAIUSA-N -1 0 357.454 2.505 20 30 FFEDRM CCc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C2 ZINC001597568434 988325103 /nfs/dbraw/zinc/32/51/03/988325103.db2.gz FMXAIEMHPZTHMM-UHFFFAOYSA-N -1 0 370.430 2.566 20 30 FFEDRM CSc1ccc(CNC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1C#N ZINC001599812737 988365688 /nfs/dbraw/zinc/36/56/88/988365688.db2.gz BULGJIUUXFRTBS-QAPCUYQASA-N -1 0 359.451 2.819 20 30 FFEDRM CSc1ccc(CNC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1C#N ZINC001599813065 988372932 /nfs/dbraw/zinc/37/29/32/988372932.db2.gz KRXBYDFOIYPWJP-UHFFFAOYSA-N -1 0 373.438 2.618 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C(=O)[O-])cn2)c1C#N ZINC001599827360 988617967 /nfs/dbraw/zinc/61/79/67/988617967.db2.gz CIMVSKYJFRZXKB-UHFFFAOYSA-N -1 0 368.418 2.576 20 30 FFEDRM C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3O)C[C@@]2(C)C1 ZINC000993376279 988999186 /nfs/dbraw/zinc/99/91/86/988999186.db2.gz RWZSDZNOMWLNCZ-LPTQZCDUSA-N -1 0 356.466 2.915 20 30 FFEDRM CCn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001597859130 989624231 /nfs/dbraw/zinc/62/42/31/989624231.db2.gz ONYHVOVPOYEIRJ-PKOBYXMFSA-N -1 0 357.458 2.715 20 30 FFEDRM O=C([O-])CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000915933046 989715001 /nfs/dbraw/zinc/71/50/01/989715001.db2.gz JTJUIXLDELESGX-UHFFFAOYSA-N -1 0 374.309 2.803 20 30 FFEDRM CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)N(CC#N)CC(=O)[O-])c1 ZINC001590303224 989730209 /nfs/dbraw/zinc/73/02/09/989730209.db2.gz IACOBTQSOQFRDD-UHFFFAOYSA-N -1 0 367.789 2.737 20 30 FFEDRM Cc1cccc(/C=C\C(=O)c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)c1 ZINC000916154676 989750722 /nfs/dbraw/zinc/75/07/22/989750722.db2.gz RWVGKJDFNSFROP-HJWRWDBZSA-N -1 0 373.430 2.644 20 30 FFEDRM Cn1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000763368991 989779340 /nfs/dbraw/zinc/77/93/40/989779340.db2.gz 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CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC001567050168 1076997296 /nfs/dbraw/zinc/99/72/96/1076997296.db2.gz XDURIGOSYFVUQN-CQSZACIVSA-N -1 0 360.410 2.840 20 30 FFEDRM Cc1cc(C(=O)NCCc2n[n-]c(=S)o2)c(C)n1-c1ccc(C#N)cc1 ZINC001567853221 1077056085 /nfs/dbraw/zinc/05/60/85/1077056085.db2.gz UKXVTOSREBWLTR-UHFFFAOYSA-N -1 0 367.434 2.610 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001569496840 1077149364 /nfs/dbraw/zinc/14/93/64/1077149364.db2.gz DVEDCDWEZMHRKO-HNNXBMFYSA-N -1 0 357.797 2.834 20 30 FFEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1occc1C(=O)[O-] ZINC001573301550 1077663970 /nfs/dbraw/zinc/66/39/70/1077663970.db2.gz GHPFMMHRXRIYAR-MRXNPFEDSA-N -1 0 359.403 2.679 20 30 FFEDRM C#CCN(CC)c1nnc(CC2CC2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573311293 1077666777 /nfs/dbraw/zinc/66/67/77/1077666777.db2.gz LQVOUTJUUCCPLY-UHFFFAOYSA-N -1 0 353.426 2.828 20 30 FFEDRM C#CCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001573312315 1077667292 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513924931 /nfs/dbraw/zinc/92/49/31/513924931.db2.gz WWXXUORKEHXFGJ-UHFFFAOYSA-N -1 0 368.422 2.870 20 30 FFEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000426502360 513961001 /nfs/dbraw/zinc/96/10/01/513961001.db2.gz AKNFZQVVYHGZRX-ZDUSSCGKSA-N -1 0 360.377 2.935 20 30 FFEDRM C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCC1(C)C ZINC000422919465 513975872 /nfs/dbraw/zinc/97/58/72/513975872.db2.gz KDNHPODTXLZVHP-CVEARBPZSA-N -1 0 364.486 2.683 20 30 FFEDRM C=CCC1(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC000414333746 514051586 /nfs/dbraw/zinc/05/15/86/514051586.db2.gz HRXKIDAWVFXFCH-UHFFFAOYSA-N -1 0 353.440 2.565 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(C)nc2C2CCC2)n1 ZINC000420233965 514055711 /nfs/dbraw/zinc/05/57/11/514055711.db2.gz CCYHGAYSLAVPMB-LLVKDONJSA-N -1 0 358.423 2.811 20 30 FFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C#N ZINC000444064575 514112366 /nfs/dbraw/zinc/11/23/66/514112366.db2.gz WOKWPEPQRNNOCD-UHFFFAOYSA-N -1 0 371.825 2.721 20 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/nfs/dbraw/zinc/43/89/42/514438942.db2.gz TUBZSHLYCORRRY-UHFFFAOYSA-N -1 0 369.244 2.669 20 30 FFEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc2)n[nH]1 ZINC000470579760 514536358 /nfs/dbraw/zinc/53/63/58/514536358.db2.gz ZAGQEDKMQMLYJW-AWEZNQCLSA-N -1 0 357.377 2.850 20 30 FFEDRM CCC(CC)c1n[n-]c(=NC(=O)NCCOc2ccc(C#N)cc2)s1 ZINC000466105108 514559211 /nfs/dbraw/zinc/55/92/11/514559211.db2.gz SBKHXZWWRJIHHY-UHFFFAOYSA-N -1 0 359.455 2.936 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NCc2nc3c(s2)CCCC3)cc1C#N ZINC000479672926 514683089 /nfs/dbraw/zinc/68/30/89/514683089.db2.gz DIHGMKKRNYLPDW-UHFFFAOYSA-N -1 0 360.464 2.646 20 30 FFEDRM N#CCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000475815307 514822191 /nfs/dbraw/zinc/82/21/91/514822191.db2.gz SANYTECVZDGXCW-UHFFFAOYSA-N -1 0 350.783 2.905 20 30 FFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475818088 514822385 /nfs/dbraw/zinc/82/23/85/514822385.db2.gz YNKHOKFAOKVSHA-UHFFFAOYSA-N -1 0 364.810 2.993 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000480208124 514881820 /nfs/dbraw/zinc/88/18/20/514881820.db2.gz HVTORFDMGJYHTI-UHFFFAOYSA-N -1 0 350.371 2.905 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489741351 514956836 /nfs/dbraw/zinc/95/68/36/514956836.db2.gz HUXRFGQMADHIRY-UHFFFAOYSA-N -1 0 351.355 2.890 20 30 FFEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)nn1-c1cccc(C#N)c1 ZINC000503418226 515026363 /nfs/dbraw/zinc/02/63/63/515026363.db2.gz IPLLXJGOYFAUKQ-UHFFFAOYSA-N -1 0 373.420 2.550 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCN(C)c3cc(F)ccc32)cc1C#N ZINC000476409732 515038239 /nfs/dbraw/zinc/03/82/39/515038239.db2.gz VOCAKDPPFJCNMK-UHFFFAOYSA-N -1 0 358.398 2.616 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)CC(=O)c2ccccc2)cc1C#N ZINC000476597853 515122183 /nfs/dbraw/zinc/12/21/83/515122183.db2.gz NMUSCTSDZRAYCW-LLVKDONJSA-N -1 0 355.419 2.772 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nnc(C(F)(F)F)s2)cc1C#N ZINC000476846183 515218041 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C=CCNC(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000505938598 515730616 /nfs/dbraw/zinc/73/06/16/515730616.db2.gz ODWAMVUAUXHDIM-UHFFFAOYSA-N -1 0 356.338 2.860 20 30 FFEDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000473757425 515742022 /nfs/dbraw/zinc/74/20/22/515742022.db2.gz GCIRBXHBBXQIFL-UHFFFAOYSA-N -1 0 352.213 2.825 20 30 FFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000511355809 515875136 /nfs/dbraw/zinc/87/51/36/515875136.db2.gz ABOHNMWKYHNZHA-NSHDSACASA-N -1 0 365.833 2.748 20 30 FFEDRM COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000483026203 515887366 /nfs/dbraw/zinc/88/73/66/515887366.db2.gz VVACUNAIRLSJRU-CYBMUJFWSA-N -1 0 361.467 2.826 20 30 FFEDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)ccc1C ZINC000506617604 515933492 /nfs/dbraw/zinc/93/34/92/515933492.db2.gz QDKWHBZCYMFBJJ-UHFFFAOYSA-N -1 0 374.418 2.853 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000474295885 515977344 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FFEDRM CC1([C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])CCCCC1 ZINC000547701641 516507160 /nfs/dbraw/zinc/50/71/60/516507160.db2.gz POWJDZTWYVOISK-AWEZNQCLSA-N -1 0 370.858 2.914 20 30 FFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000544099279 516581281 /nfs/dbraw/zinc/58/12/81/516581281.db2.gz ZIJFUQQJGCQHFU-UHFFFAOYSA-N -1 0 356.382 2.992 20 30 FFEDRM CC(C)(C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)CC(=O)[O-] ZINC000547887495 516620456 /nfs/dbraw/zinc/62/04/56/516620456.db2.gz ULTAAPXOSKHROQ-JTQLQIEISA-N -1 0 358.847 2.627 20 30 FFEDRM CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000547907491 516628965 /nfs/dbraw/zinc/62/89/65/516628965.db2.gz RYORCSQYKFMJIS-HNNXBMFYSA-N -1 0 350.440 2.548 20 30 FFEDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000547910456 516630049 /nfs/dbraw/zinc/63/00/49/516630049.db2.gz LXGUNJJMEVIUFZ-GFCCVEGCSA-N -1 0 358.847 2.769 20 30 FFEDRM C=CCOc1ccccc1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000540669066 516660151 /nfs/dbraw/zinc/66/01/51/516660151.db2.gz XPZFLABEYFJARM-QGZVFWFLSA-N -1 0 359.353 2.653 20 30 FFEDRM C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000540774850 516707334 /nfs/dbraw/zinc/70/73/34/516707334.db2.gz WWQMKVBQZMTUFJ-UHFFFAOYSA-N -1 0 353.378 2.874 20 30 FFEDRM CC(C)(C)OC(=O)c1cnc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000555083095 516773264 /nfs/dbraw/zinc/77/32/64/516773264.db2.gz BYIDILAUOXAKAV-NSHDSACASA-N -1 0 363.377 2.798 20 30 FFEDRM C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H]1C1CC1 ZINC000528906460 516787052 /nfs/dbraw/zinc/78/70/52/516787052.db2.gz IHSJHJDNXCCTLP-PCTYZZJISA-N -1 0 372.368 2.674 20 30 FFEDRM CC#CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000541000912 516822214 /nfs/dbraw/zinc/82/22/14/516822214.db2.gz RFLQNSWUDRYYSA-JTQLQIEISA-N -1 0 369.748 2.504 20 30 FFEDRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000532151581 516826518 /nfs/dbraw/zinc/82/65/18/516826518.db2.gz OYZUUOZIMDANEA-UHFFFAOYSA-N -1 0 361.471 2.819 20 30 FFEDRM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000548218438 516833214 /nfs/dbraw/zinc/83/32/14/516833214.db2.gz YVUOLSIQWREQDW-HIFRSBDPSA-N -1 0 356.831 2.523 20 30 FFEDRM COCCCn1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000529020986 516867637 /nfs/dbraw/zinc/86/76/37/516867637.db2.gz MILCCUMHPFQWBB-CYBMUJFWSA-N -1 0 352.316 2.823 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000548558957 517053030 /nfs/dbraw/zinc/05/30/30/517053030.db2.gz FGLZWVSUXQGJFC-HNNXBMFYSA-N -1 0 364.810 2.624 20 30 FFEDRM C=CCOc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1OC ZINC000532597516 517055499 /nfs/dbraw/zinc/05/54/99/517055499.db2.gz NFVGNSCPDHKDCX-UHFFFAOYSA-N -1 0 357.362 2.976 20 30 FFEDRM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000548573834 517060455 /nfs/dbraw/zinc/06/04/55/517060455.db2.gz HEGNELPJTFOPLM-NEPJUHHUSA-N -1 0 370.858 2.723 20 30 FFEDRM C=CCC[C@@H](NC(=O)N[C@H](C)c1nc(C2CCCCC2)no1)C(=O)[O-] ZINC000562647064 517266756 /nfs/dbraw/zinc/26/67/56/517266756.db2.gz PZZRFUJBMODHGP-DGCLKSJQSA-N -1 0 350.419 2.897 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)NCCC2(CC(=O)[O-])CCCCC2)c1 ZINC000562651571 517271816 /nfs/dbraw/zinc/27/18/16/517271816.db2.gz HIGSYBSHFSACPH-UHFFFAOYSA-N -1 0 350.440 2.652 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c1C#N ZINC000533075517 517281831 /nfs/dbraw/zinc/28/18/31/517281831.db2.gz XNTPSBHTYHTFQC-UHFFFAOYSA-N -1 0 355.423 2.993 20 30 FFEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1coc(C2CCOCC2)n1 ZINC000549086277 517391049 /nfs/dbraw/zinc/39/10/49/517391049.db2.gz PNWLHMQBUKPEEJ-ZDUSSCGKSA-N -1 0 350.378 2.945 20 30 FFEDRM CC(C)(C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)CC(=O)[O-] ZINC000562967113 517540576 /nfs/dbraw/zinc/54/05/76/517540576.db2.gz AXWOLMBJBZFXEH-LBPRGKRZSA-N -1 0 372.874 2.821 20 30 FFEDRM CCc1c([O-])nc(SCC2(C#N)CC2)n(-c2cccc(OC)c2)c1=O ZINC000538658834 517705614 /nfs/dbraw/zinc/70/56/14/517705614.db2.gz RLHDVVHIKXTUDV-UHFFFAOYSA-N -1 0 357.435 2.905 20 30 FFEDRM 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CCOCCCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2F)oc1C ZINC000121584401 965153734 /nfs/dbraw/zinc/15/37/34/965153734.db2.gz IGVZIFXKYQQXJF-CQSZACIVSA-N -1 0 373.384 2.654 20 30 FFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c1 ZINC000728508307 966833966 /nfs/dbraw/zinc/83/39/66/966833966.db2.gz MSMCNSMPOYOGOV-UHFFFAOYSA-N -1 0 373.430 2.980 20 30 FFEDRM COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000066003875 969214567 /nfs/dbraw/zinc/21/45/67/969214567.db2.gz OCDFIMUCPAPJKP-UHFFFAOYSA-N -1 0 371.418 2.716 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000659064915 969674634 /nfs/dbraw/zinc/67/46/34/969674634.db2.gz QRKGBIKQQMMQJF-NVXWUHKLSA-N -1 0 358.438 2.893 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)C3(COC)CCC3)cc2[n-]c1=S ZINC000874936145 1013932962 /nfs/dbraw/zinc/93/29/62/1013932962.db2.gz BVIBPVCNKUTFGV-UHFFFAOYSA-N -1 0 373.478 2.512 20 30 FFEDRM C=C(C)[C@@H](CC(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1)OCC ZINC000909573551 973324956 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354.362 2.910 20 30 FFEDRM CC(C)Oc1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1C(N)=O ZINC001591756866 975828902 /nfs/dbraw/zinc/82/89/02/975828902.db2.gz NGLVGELOVMLBFI-UHFFFAOYSA-N -1 0 353.378 2.755 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)NC2CC2)c1 ZINC000125851096 975861744 /nfs/dbraw/zinc/86/17/44/975861744.db2.gz DFWCNBNKRHZEMZ-KRWDZBQOSA-N -1 0 370.453 2.989 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000899311931 977086467 /nfs/dbraw/zinc/08/64/67/977086467.db2.gz SYJJRTBXLZXJRN-MRXNPFEDSA-N -1 0 359.426 2.854 20 30 FFEDRM C[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] ZINC001592609623 978556787 /nfs/dbraw/zinc/55/67/87/978556787.db2.gz FXBMTKGKWMSOLD-OAHLLOKOSA-N -1 0 372.446 2.664 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592833357 979570894 /nfs/dbraw/zinc/57/08/94/979570894.db2.gz GLKFCUIEDVAXGF-TUKIKUTGSA-N -1 0 368.355 2.848 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001592833608 979571481 /nfs/dbraw/zinc/57/14/81/979571481.db2.gz HQQISZBYRDQBHE-JLTOFOAXSA-N -1 0 351.406 2.638 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001592834704 979578220 /nfs/dbraw/zinc/57/82/20/979578220.db2.gz VIXOPFZOJYLJCS-KPZWWZAWSA-N -1 0 368.364 2.755 20 30 FFEDRM CCn1c(=O)c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2[n-]c1=S ZINC000128704690 979686115 /nfs/dbraw/zinc/68/61/15/979686115.db2.gz CPESYXBYEDYZPU-UHFFFAOYSA-N -1 0 364.430 2.853 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000127395012 979747200 /nfs/dbraw/zinc/74/72/00/979747200.db2.gz OKZAEBJGUWHVLC-OAHLLOKOSA-N -1 0 354.385 2.987 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000796608010 1014626445 /nfs/dbraw/zinc/62/64/45/1014626445.db2.gz FNGNPSTYUVHDFC-UHFFFAOYSA-N -1 0 367.430 2.619 20 30 FFEDRM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001593007256 980225339 /nfs/dbraw/zinc/22/53/39/980225339.db2.gz PIEGMOUXFMGPOV-BXUZGUMPSA-N -1 0 370.434 2.559 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000905054549 980373022 /nfs/dbraw/zinc/37/30/22/980373022.db2.gz WVYUFULPDGONKI-OAHLLOKOSA-N -1 0 365.405 2.593 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC000263096323 980402681 /nfs/dbraw/zinc/40/26/81/980402681.db2.gz TUBCXTZXOOOMEU-QGZVFWFLSA-N -1 0 356.422 2.788 20 30 FFEDRM CC[C@@](O)(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001595321675 980509666 /nfs/dbraw/zinc/50/96/66/980509666.db2.gz MAEHQBWDSINJKA-UYAOXDASSA-N -1 0 353.374 2.915 20 30 FFEDRM CC[C@](O)(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001595321674 980509759 /nfs/dbraw/zinc/50/97/59/980509759.db2.gz MAEHQBWDSINJKA-QUCCMNQESA-N -1 0 353.374 2.915 20 30 FFEDRM CCC1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)(C(=O)[O-])CC1 ZINC001595431397 981052409 /nfs/dbraw/zinc/05/24/09/981052409.db2.gz RHBHNPGGFXSJFY-UHFFFAOYSA-N -1 0 368.430 2.540 20 30 FFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000908652680 981490201 /nfs/dbraw/zinc/49/02/01/981490201.db2.gz RPYIPOAWHPYNEN-OAHLLOKOSA-N -1 0 357.385 2.857 20 30 FFEDRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001594766315 981721747 /nfs/dbraw/zinc/72/17/47/981721747.db2.gz VQFUQULYNLNPFN-ZDUSSCGKSA-N -1 0 366.801 2.549 20 30 FFEDRM CC[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC001594770050 981735191 /nfs/dbraw/zinc/73/51/91/981735191.db2.gz KOKKXOCTWRYBOU-KRWDZBQOSA-N -1 0 358.419 2.925 20 30 FFEDRM C=CCCC[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)[O-] ZINC000910914299 982161525 /nfs/dbraw/zinc/16/15/25/982161525.db2.gz IVTREUMBHNFMLX-JCYILVPMSA-N -1 0 364.486 2.777 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000910916540 982163409 /nfs/dbraw/zinc/16/34/09/982163409.db2.gz XOLTZUQSGLNXNC-FCEWJHQRSA-N -1 0 374.481 2.835 20 30 FFEDRM CC#CCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000760292178 982184406 /nfs/dbraw/zinc/18/44/06/982184406.db2.gz OTJFELPVWUDQOT-UHFFFAOYSA-N -1 0 368.414 2.897 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588786171 984182887 /nfs/dbraw/zinc/18/28/87/984182887.db2.gz NEQZQXDXDJATTL-KUHUBIRLSA-N -1 0 368.474 2.949 20 30 FFEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001596501508 984255989 /nfs/dbraw/zinc/25/59/89/984255989.db2.gz XYYKYORGTTXBPR-OAHLLOKOSA-N -1 0 373.434 2.600 20 30 FFEDRM CCOC(=O)CN(Cc1ccccc1O)Cc1cccc(C(=O)[O-])c1C#N ZINC001596622043 984597269 /nfs/dbraw/zinc/59/72/69/984597269.db2.gz GUEBBLQETLYMIW-UHFFFAOYSA-N -1 0 368.389 2.527 20 30 FFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)cc1 ZINC000760968060 984601500 /nfs/dbraw/zinc/60/15/00/984601500.db2.gz HWQDYMQSODNUTN-UONOGXRCSA-N -1 0 371.418 2.964 20 30 FFEDRM N=C(c1ccccc1N)N(O)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC001152134142 1032109220 /nfs/dbraw/zinc/10/92/20/1032109220.db2.gz KGNZULAXICNEFR-UHFFFAOYSA-N -1 0 374.198 2.765 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1C#N ZINC001596666509 984730948 /nfs/dbraw/zinc/73/09/48/984730948.db2.gz HQWCMHMEHYVFIC-GOSISDBHSA-N -1 0 374.397 2.845 20 30 FFEDRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001599906054 984924441 /nfs/dbraw/zinc/92/44/41/984924441.db2.gz DXHPJFHCFNQPQF-HNNXBMFYSA-N -1 0 352.390 2.948 20 30 FFEDRM C[C@H]1CN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC001599916987 985071605 /nfs/dbraw/zinc/07/16/05/985071605.db2.gz DMEAENZTWRYXIS-GDLCADMTSA-N -1 0 369.343 2.914 20 30 FFEDRM C[C@H]1CN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC001599916988 985071930 /nfs/dbraw/zinc/07/19/30/985071930.db2.gz DMEAENZTWRYXIS-ZLKJLUDKSA-N -1 0 369.343 2.914 20 30 FFEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)Cc3cccc(C#N)c3)c[nH]c2c1 ZINC000171338991 985266822 /nfs/dbraw/zinc/26/68/22/985266822.db2.gz QKSKIIGTQFUMGU-UHFFFAOYSA-N -1 0 367.430 2.537 20 30 FFEDRM Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001599942800 985475869 /nfs/dbraw/zinc/47/58/69/985475869.db2.gz TWOLPOZDZXTJEX-JKSUJKDBSA-N -1 0 357.797 2.789 20 30 FFEDRM C[C@@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@H](C)N1CC#N ZINC001594477078 985497297 /nfs/dbraw/zinc/49/72/97/985497297.db2.gz DTQAHLUJNFRMMD-AOOOYVTPSA-N -1 0 368.796 2.627 20 30 FFEDRM CCCCS(=O)(=O)[N-]C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000172239199 985498029 /nfs/dbraw/zinc/49/80/29/985498029.db2.gz FTBRKWDEAWFJLD-UHFFFAOYSA-N -1 0 372.446 2.997 20 30 FFEDRM Cc1[nH]c(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c(C)c1C(=O)[O-] ZINC001599953058 985643104 /nfs/dbraw/zinc/64/31/04/985643104.db2.gz NGZVJLWMZZEOAF-UHFFFAOYSA-N -1 0 364.217 2.892 20 30 FFEDRM C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000173889863 986010549 /nfs/dbraw/zinc/01/05/49/986010549.db2.gz XAZDJCHJFRISIR-CQSZACIVSA-N -1 0 374.437 2.912 20 30 FFEDRM C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000173966473 986025219 /nfs/dbraw/zinc/02/52/19/986025219.db2.gz IAAIBMGVQAVSKL-HNNXBMFYSA-N -1 0 372.446 2.609 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)n1C ZINC000173941254 986030187 /nfs/dbraw/zinc/03/01/87/986030187.db2.gz YOVNPZYPLFZDIB-QGZVFWFLSA-N -1 0 367.449 2.946 20 30 FFEDRM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000173997907 986032325 /nfs/dbraw/zinc/03/23/25/986032325.db2.gz YVGRCVCCVNIPCR-KRWDZBQOSA-N -1 0 369.465 2.844 20 30 FFEDRM Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccc(C#N)cc1 ZINC001599974971 986074461 /nfs/dbraw/zinc/07/44/61/986074461.db2.gz NOIGFQHMJJMVSE-VMPITWQZSA-N -1 0 360.373 2.985 20 30 FFEDRM C#CCSc1ccc(COC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)cc1 ZINC001128035676 986156075 /nfs/dbraw/zinc/15/60/75/986156075.db2.gz YBTHCXDWUPKBNB-UHFFFAOYSA-N -1 0 358.463 2.844 20 30 FFEDRM Cc1c(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])cnn1CCC#N ZINC001599983969 986203943 /nfs/dbraw/zinc/20/39/43/986203943.db2.gz UVZBYEGDNSTUCY-UHFFFAOYSA-N -1 0 356.382 2.843 20 30 FFEDRM N#Cc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])ccc1N1CCC(O)CC1 ZINC000174615947 986284020 /nfs/dbraw/zinc/28/40/20/986284020.db2.gz IZPHIJRUWGAEFM-UHFFFAOYSA-N -1 0 368.393 2.745 20 30 FFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1c(C#N)cccc1[N+](=O)[O-] ZINC001594567007 986358269 /nfs/dbraw/zinc/35/82/69/986358269.db2.gz CJNGLMILQXNWOK-ZDUSSCGKSA-N -1 0 366.377 2.880 20 30 FFEDRM CCOc1ccc(C2N=NC(=S)N2N=Cc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001597049635 986523516 /nfs/dbraw/zinc/52/35/16/986523516.db2.gz DOXSXHUZWXOAQZ-UHFFFAOYSA-N -1 0 371.422 2.551 20 30 FFEDRM CCOc1ccc(C[C@H](CNC(=O)c2ccccc2CC#N)C(=O)[O-])cc1 ZINC001597088517 986662410 /nfs/dbraw/zinc/66/24/10/986662410.db2.gz HKALQXJJNCEROR-QGZVFWFLSA-N -1 0 366.417 2.825 20 30 FFEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C2CCC2)cc1 ZINC000785450591 986837195 /nfs/dbraw/zinc/83/71/95/986837195.db2.gz FFTCCGCRCJQINJ-UHFFFAOYSA-N -1 0 369.446 2.631 20 30 FFEDRM CCN1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2F)CC1 ZINC000176398515 986907296 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CCCCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ncccn2)nc1C ZINC000193374447 1024495855 /nfs/dbraw/zinc/49/58/55/1024495855.db2.gz RYLXTHUGSBDAMF-ZDUSSCGKSA-N -1 0 371.466 2.928 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000194163870 1024750612 /nfs/dbraw/zinc/75/06/12/1024750612.db2.gz UFRNHXJOFDZAQY-SFHVURJKSA-N -1 0 372.446 2.775 20 30 FFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000195069191 1024938141 /nfs/dbraw/zinc/93/81/41/1024938141.db2.gz SUYSMSQBWPXGCW-LBPRGKRZSA-N -1 0 373.844 2.891 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000195495549 1025028388 /nfs/dbraw/zinc/02/83/88/1025028388.db2.gz ICCKHZMSDCGJDU-UHFFFAOYSA-N -1 0 372.421 2.765 20 30 FFEDRM CC(C)Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000195495276 1025028565 /nfs/dbraw/zinc/02/85/65/1025028565.db2.gz LZCNIHZFCMGIKJ-UHFFFAOYSA-N -1 0 370.474 2.945 20 30 FFEDRM CC(C)c1cccc(OCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000195495422 1025028642 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CCc1ccccc1-n1cc([O-])c(C(=O)NCCc2cccc(C#N)c2)n1 ZINC000571184977 518969549 /nfs/dbraw/zinc/96/95/49/518969549.db2.gz JJYIQYJYVWYDFX-UHFFFAOYSA-N -1 0 360.417 2.984 20 30 FFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2nnc(C3CCC3)[nH]2)c(Cl)c1 ZINC000568355442 518994808 /nfs/dbraw/zinc/99/48/08/518994808.db2.gz JVTLGAGMTRLHRB-UHFFFAOYSA-N -1 0 351.819 2.592 20 30 FFEDRM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000589556101 519031298 /nfs/dbraw/zinc/03/12/98/519031298.db2.gz BMKAHJKMHPTKHO-UHFFFAOYSA-N -1 0 359.407 2.664 20 30 FFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2nccc(-c3cncc(F)c3)n2)c1 ZINC000589593275 519035822 /nfs/dbraw/zinc/03/58/22/519035822.db2.gz AEEHNUUBWOYEIP-UHFFFAOYSA-N -1 0 369.381 2.545 20 30 FFEDRM COC(=O)c1cccc(CSc2n[n-]c(=NCC(C)C)s2)c1C#N ZINC000565729233 519103725 /nfs/dbraw/zinc/10/37/25/519103725.db2.gz GZLLARQKNAQKRT-UHFFFAOYSA-N -1 0 362.480 2.978 20 30 FFEDRM COc1cc2nc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)[nH]c2cc1OC ZINC000568588726 519113201 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COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1F ZINC000580682761 519299414 /nfs/dbraw/zinc/29/94/14/519299414.db2.gz DHOGAZZCEYMTNT-UHFFFAOYSA-N -1 0 366.345 2.732 20 30 FFEDRM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3c(C#N)cnn3C3CCCC3)cn21 ZINC000574783568 519329424 /nfs/dbraw/zinc/32/94/24/519329424.db2.gz PPVFFWFSOTXYKD-GFCCVEGCSA-N -1 0 374.470 2.764 20 30 FFEDRM C[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000566182046 519355310 /nfs/dbraw/zinc/35/53/10/519355310.db2.gz XQTUDCUVSHWIAK-SWLSCSKDSA-N -1 0 368.355 2.809 20 30 FFEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2n[nH]c(C3CC3)c2C#N)n1 ZINC000583653996 519359988 /nfs/dbraw/zinc/35/99/88/519359988.db2.gz SMOZWIXQVHUMEK-UHFFFAOYSA-N -1 0 366.356 2.750 20 30 FFEDRM COc1ccccc1-c1n[n-]c(=NC(=O)N2CCC[C@@](C)(C#N)C2)s1 ZINC000590846693 519399727 /nfs/dbraw/zinc/39/97/27/519399727.db2.gz AEMQSXQHSJSGIR-KRWDZBQOSA-N -1 0 357.439 2.793 20 30 FFEDRM C=CC[C@H]1N(C(=O)CNS(=O)(=O)c2ccccc2F)CCCC1(C)C ZINC000578104737 519417019 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FFEDRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1)C(=O)[O-] ZINC000594574084 520034649 /nfs/dbraw/zinc/03/46/49/520034649.db2.gz UWMYNCGYMXHRPG-RYUDHWBXSA-N -1 0 370.858 2.723 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC(C)(C)CC(=O)[O-] ZINC000594670867 520075786 /nfs/dbraw/zinc/07/57/86/520075786.db2.gz AGIZNCPPXRZQSK-UHFFFAOYSA-N -1 0 352.437 2.613 20 30 FFEDRM CN([C@H](C(=O)[O-])c1cccc(Cl)c1Cl)S(=O)(=O)CCCC#N ZINC000594671835 520076893 /nfs/dbraw/zinc/07/68/93/520076893.db2.gz BYLVSOHOWBKYFN-LBPRGKRZSA-N -1 0 365.238 2.684 20 30 FFEDRM CCCN(CC(=O)[O-])S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594670936 520077519 /nfs/dbraw/zinc/07/75/19/520077519.db2.gz DLDJKGHEUJQTEH-UHFFFAOYSA-N -1 0 352.437 2.567 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2CCCC(=O)[O-])c(F)c1 ZINC000594674188 520078086 /nfs/dbraw/zinc/07/80/86/520078086.db2.gz JHTJLRAEAIISKU-GFCCVEGCSA-N -1 0 372.393 2.635 20 30 FFEDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)s1 ZINC000612735510 520115721 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N#Cc1ccc(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000603824451 520369318 /nfs/dbraw/zinc/36/93/18/520369318.db2.gz HIGUDFDQWCHICJ-UHFFFAOYSA-N -1 0 370.434 2.666 20 30 FFEDRM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000610123815 520550669 /nfs/dbraw/zinc/55/06/69/520550669.db2.gz GISZXEISQOCCJD-UHFFFAOYSA-N -1 0 368.418 2.867 20 30 FFEDRM COc1ccc([C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)c2ccccc2)cc1 ZINC000610564077 520741155 /nfs/dbraw/zinc/74/11/55/520741155.db2.gz OLCKQJGAEICATO-SFHVURJKSA-N -1 0 361.405 2.633 20 30 FFEDRM CCCCCOc1cc(C)ccc1CNC(=O)N=c1[n-]n(C)cc1C#N ZINC000610698490 520803236 /nfs/dbraw/zinc/80/32/36/520803236.db2.gz LITLYVNHTQDXRV-UHFFFAOYSA-N -1 0 355.442 2.913 20 30 FFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC000596040630 520872747 /nfs/dbraw/zinc/87/27/47/520872747.db2.gz BVDUKCFUUVCVSN-UHFFFAOYSA-N -1 0 352.847 2.871 20 30 FFEDRM C[C@@H](CC#N)n1[n-]c2c(c1=O)SCc1ccc(Br)cc1-2 ZINC000601935684 521035464 /nfs/dbraw/zinc/03/54/64/521035464.db2.gz LSCVYUXVSWMJLV-ISVAXAHUSA-N -1 0 350.241 2.913 20 30 FFEDRM N#Cc1sccc1S(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000593527781 521050468 /nfs/dbraw/zinc/05/04/68/521050468.db2.gz JTSRVRVPMBTAFK-OAHLLOKOSA-N -1 0 361.492 2.735 20 30 FFEDRM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nc(C2CC2)no1 ZINC000593541957 521063245 /nfs/dbraw/zinc/06/32/45/521063245.db2.gz SLJUZJZDZGTWMM-LBPRGKRZSA-N -1 0 352.441 2.556 20 30 FFEDRM CO[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)CCC(=O)[O-])sc2C1 ZINC000601995783 521065077 /nfs/dbraw/zinc/06/50/77/521065077.db2.gz UWEXSBYFFNAKFX-JTQLQIEISA-N -1 0 350.440 2.953 20 30 FFEDRM N#Cc1ccccc1CSCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596654784 521192842 /nfs/dbraw/zinc/19/28/42/521192842.db2.gz NRASXMKRYDYJGP-MRXNPFEDSA-N -1 0 361.467 2.592 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(CCCC(=O)OC)s1 ZINC000596753280 521263437 /nfs/dbraw/zinc/26/34/37/521263437.db2.gz QCWWQEQDBTXYQE-STQMWFEESA-N -1 0 366.487 2.712 20 30 FFEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944867 521306836 /nfs/dbraw/zinc/30/68/36/521306836.db2.gz NOJGLOJOHOZHDC-ADEWGFFLSA-N -1 0 370.858 2.625 20 30 FFEDRM C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944335 521307229 /nfs/dbraw/zinc/30/72/29/521307229.db2.gz IXJQYVLPDWGAAR-ZMLRMANQSA-N -1 0 370.858 2.625 20 30 FFEDRM CC(C)C[C@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)CC(=O)[O-] ZINC000599861006 521519450 /nfs/dbraw/zinc/51/94/50/521519450.db2.gz RQTWROJTYGGGHB-HNNXBMFYSA-N -1 0 357.454 2.957 20 30 FFEDRM COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000619463928 521582581 /nfs/dbraw/zinc/58/25/81/521582581.db2.gz ADMXFCHUQYFVNE-UHFFFAOYSA-N -1 0 371.340 2.976 20 30 FFEDRM C=CCc1cc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000634876564 521788252 /nfs/dbraw/zinc/78/82/52/521788252.db2.gz RFQGWULTYFPKOU-JKSUJKDBSA-N -1 0 359.422 2.716 20 30 FFEDRM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)NCc2ccc(C#N)c(Cl)c2)s1 ZINC000619800171 521878568 /nfs/dbraw/zinc/87/85/68/521878568.db2.gz XXDMZIDIYZGAHJ-UHFFFAOYSA-N -1 0 373.829 2.505 20 30 FFEDRM C=CCC1(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CCOCC1 ZINC000630260300 522745109 /nfs/dbraw/zinc/74/51/09/522745109.db2.gz JMYVPYSRTRAHLJ-GFCCVEGCSA-N -1 0 351.374 2.989 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000630317920 522787324 /nfs/dbraw/zinc/78/73/24/522787324.db2.gz VOPIFYFWGRYFLB-IAQYHMDHSA-N -1 0 350.440 2.661 20 30 FFEDRM C=C(C)C[C@H](NC(=O)NCc1ccc(OC(F)F)c(OC)c1)C(=O)[O-] ZINC000630467004 522865235 /nfs/dbraw/zinc/86/52/35/522865235.db2.gz HLPAZLQQVYICBA-NSHDSACASA-N -1 0 358.341 2.515 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)NCC1(c2ccccc2C)CCOCC1)C(=O)[O-] ZINC000630474143 522871314 /nfs/dbraw/zinc/87/13/14/522871314.db2.gz UBCYFTFDUYVRNZ-QGZVFWFLSA-N -1 0 360.454 2.762 20 30 FFEDRM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)[C@@H]1C ZINC000485159097 561313993 /nfs/dbraw/zinc/31/39/93/561313993.db2.gz FAUMAPYHZINXLV-MCIONIFRSA-N -1 0 359.474 2.637 20 30 FFEDRM C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccc(OC(F)F)cc2)s1 ZINC000492071731 561449026 /nfs/dbraw/zinc/44/90/26/561449026.db2.gz VHIUGQUUBPEFSD-UHFFFAOYSA-N -1 0 361.395 2.711 20 30 FFEDRM N[C@@](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)(c1cccc(F)c1)C(F)(F)F ZINC000501275828 561593853 /nfs/dbraw/zinc/59/38/53/561593853.db2.gz HLJQWCLELRNLHU-LLVKDONJSA-N -1 0 370.228 2.923 20 30 FFEDRM CCC[C@H](NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)c1ccccn1 ZINC000611360714 554627940 /nfs/dbraw/zinc/62/79/40/554627940.db2.gz WREFPIUEWPBQJC-HNNXBMFYSA-N -1 0 368.441 2.501 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2nccnc2-c2nc3ccccc3s2)c1C#N ZINC000521297227 562173812 /nfs/dbraw/zinc/17/38/12/562173812.db2.gz UBLNQNCJNCDQKB-UHFFFAOYSA-N -1 0 361.390 2.909 20 30 FFEDRM COc1ccc(CN=c2[n-]nc(Sc3nccnc3C#N)s2)cc1 ZINC000522626145 562200618 /nfs/dbraw/zinc/20/06/18/562200618.db2.gz RJGBUIGLLSDTAN-UHFFFAOYSA-N -1 0 356.436 2.972 20 30 FFEDRM CCN(CC)c1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cc1F ZINC000736531942 598824819 /nfs/dbraw/zinc/82/48/19/598824819.db2.gz NBDGNDBDGSCIKC-UHFFFAOYSA-N -1 0 358.381 2.594 20 30 FFEDRM N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000819106282 597514463 /nfs/dbraw/zinc/51/44/63/597514463.db2.gz KBVRMSHPYLKTPO-GOSISDBHSA-N -1 0 350.374 2.826 20 30 FFEDRM C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820106945 597604402 /nfs/dbraw/zinc/60/44/02/597604402.db2.gz DJDKMHGIWJUATL-PSLIRLAXSA-N -1 0 371.206 2.640 20 30 FFEDRM CN(C)C(=O)Sc1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000820530389 597624249 /nfs/dbraw/zinc/62/42/49/597624249.db2.gz HJKUUZJAYULJIW-MRXNPFEDSA-N -1 0 350.396 2.508 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000819856808 597632260 /nfs/dbraw/zinc/63/22/60/597632260.db2.gz NGLKGVDOEKMQFJ-SFHVURJKSA-N -1 0 370.365 2.544 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(SCc2cccs2)s1 ZINC000819865100 597636255 /nfs/dbraw/zinc/63/62/55/597636255.db2.gz HLZOZWNRYRAJRD-CYBMUJFWSA-N -1 0 368.465 2.835 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000819833960 597638693 /nfs/dbraw/zinc/63/86/93/597638693.db2.gz KVUBVOGERZJWQQ-HNNXBMFYSA-N -1 0 359.209 2.883 20 30 FFEDRM CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1 ZINC000765824459 598201644 /nfs/dbraw/zinc/20/16/44/598201644.db2.gz MKPPOANVSKWZFU-KTKRTIGZSA-N -1 0 359.403 2.531 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000819810384 598228585 /nfs/dbraw/zinc/22/85/85/598228585.db2.gz AENUYUQUBVVSTA-SFHVURJKSA-N -1 0 362.813 2.766 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 ZINC000819855383 598228942 /nfs/dbraw/zinc/22/89/42/598228942.db2.gz BNQVNGGNBAEDHZ-LJQANCHMSA-N -1 0 367.361 2.521 20 30 FFEDRM Cc1cc(C)n(N=Cc2ccc(OCC(C)C)cc2)c(=O)c1-c1nnn[n-]1 ZINC000737256464 598392978 /nfs/dbraw/zinc/39/29/78/598392978.db2.gz LDIFVLWYVYILOE-UHFFFAOYSA-N -1 0 366.425 2.562 20 30 FFEDRM C=C(Br)Cn1cc(-c2nnn[n-]2)c(=O)c2cc(Cl)ccc21 ZINC000735398505 598720703 /nfs/dbraw/zinc/72/07/03/598720703.db2.gz HYMMNJMDGRFFDD-UHFFFAOYSA-N -1 0 366.606 2.744 20 30 FFEDRM CN(CCCC(=O)N[C@@H](C#N)c1cccc(Br)c1)C(=O)[O-] ZINC000737417908 599747829 /nfs/dbraw/zinc/74/78/29/599747829.db2.gz MKWYZLCWCWOBDG-LBPRGKRZSA-N -1 0 354.204 2.520 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738363288 599758807 /nfs/dbraw/zinc/75/88/07/599758807.db2.gz DGCYXOPVKIGTHM-FQEVSTJZSA-N -1 0 365.433 2.966 20 30 FFEDRM N#C[C@H](C(=O)CCCNC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000739074932 599799473 /nfs/dbraw/zinc/79/94/73/599799473.db2.gz NNXYJLUEPLMEKL-SECBINFHSA-N -1 0 358.181 2.689 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000736108686 599820261 /nfs/dbraw/zinc/82/02/61/599820261.db2.gz NNFFXEQABURKKP-MRXNPFEDSA-N -1 0 359.426 2.732 20 30 FFEDRM C#CCOc1ccc(NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000736088692 599880791 /nfs/dbraw/zinc/88/07/91/599880791.db2.gz AXXDOHAMPXZUJF-UHFFFAOYSA-N -1 0 354.362 2.727 20 30 FFEDRM N#Cc1ccc(Oc2cccc(C(=O)NCCSCC(=O)[O-])c2)cc1 ZINC000739129688 599887594 /nfs/dbraw/zinc/88/75/94/599887594.db2.gz AFLXYEYQMJFREE-UHFFFAOYSA-N -1 0 356.403 2.898 20 30 FFEDRM CCOc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1OCC(=O)[O-] ZINC000737179099 599902452 /nfs/dbraw/zinc/90/24/52/599902452.db2.gz AAKFAALVJDDGNZ-UHFFFAOYSA-N -1 0 368.389 2.693 20 30 FFEDRM N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)[O-])cc1C=O ZINC000739118730 599910750 /nfs/dbraw/zinc/91/07/50/599910750.db2.gz WHANKSOJUDJQGF-UHFFFAOYSA-N -1 0 358.737 2.740 20 30 FFEDRM N#Cc1ccc(SCC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739132323 599941447 /nfs/dbraw/zinc/94/14/47/599941447.db2.gz JPCSFHGGPLQUFV-HNNXBMFYSA-N -1 0 372.421 2.849 20 30 FFEDRM CCOc1cc(C(=O)OCc2cccc(C#N)c2)ccc1OCC(=O)[O-] ZINC000737193346 599994932 /nfs/dbraw/zinc/99/49/32/599994932.db2.gz OKMIKRWTQPOPBZ-UHFFFAOYSA-N -1 0 355.346 2.777 20 30 FFEDRM N#CCOc1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000739088484 600022957 /nfs/dbraw/zinc/02/29/57/600022957.db2.gz RWKZPQGJYMOKGR-UHFFFAOYSA-N -1 0 351.362 2.513 20 30 FFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737799563 600038259 /nfs/dbraw/zinc/03/82/59/600038259.db2.gz OGODYGTWNQSHGS-UHFFFAOYSA-N -1 0 366.417 2.864 20 30 FFEDRM Cc1cccc(C[C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000738698762 600064149 /nfs/dbraw/zinc/06/41/49/600064149.db2.gz SRHNUOYCFQEJJL-QAPCUYQASA-N -1 0 366.417 2.694 20 30 FFEDRM N#Cc1ccc(NCC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739120707 600166954 /nfs/dbraw/zinc/16/69/54/600166954.db2.gz CKYDLNRYXHOHPM-UHFFFAOYSA-N -1 0 373.359 2.752 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)N(CCC#N)c2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000736173159 600170492 /nfs/dbraw/zinc/17/04/92/600170492.db2.gz PCMOGCGOJLEISP-UHFFFAOYSA-N -1 0 371.368 2.852 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000736113704 600207348 /nfs/dbraw/zinc/20/73/48/600207348.db2.gz ALOVTXPRMNGZDN-UHFFFAOYSA-N -1 0 370.405 2.648 20 30 FFEDRM Cc1cc(F)ccc1N(CC(=O)NCCC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000738396788 600324490 /nfs/dbraw/zinc/32/44/90/600324490.db2.gz KEQPTFDDOJAGRT-UHFFFAOYSA-N -1 0 369.396 2.603 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738230911 600448525 /nfs/dbraw/zinc/44/85/25/600448525.db2.gz UEMBGIVFKWKKSB-QGZVFWFLSA-N -1 0 372.352 2.717 20 30 FFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCCn3cccn3)c2)c1 ZINC000739431712 600556715 /nfs/dbraw/zinc/55/67/15/600556715.db2.gz CZKTXKYAUPQZIT-UHFFFAOYSA-N -1 0 374.400 2.803 20 30 FFEDRM Cc1nnc(-c2cccc(C#N)c2)n1CN(CC(=O)[O-])Cc1ccccc1 ZINC000738380248 600557230 /nfs/dbraw/zinc/55/72/30/600557230.db2.gz XECLKFWDRSWWBL-UHFFFAOYSA-N -1 0 361.405 2.670 20 30 FFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737800267 600569869 /nfs/dbraw/zinc/56/98/69/600569869.db2.gz QCTCORRNNGUUPD-UHFFFAOYSA-N -1 0 353.378 2.937 20 30 FFEDRM COc1cc(F)ccc1N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737890205 600571523 /nfs/dbraw/zinc/57/15/23/600571523.db2.gz SZPGKBQBTNEUDC-IBGZPJMESA-N -1 0 369.396 2.654 20 30 FFEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)S[C@@H](C)CC(=O)[O-] ZINC000738135326 600582309 /nfs/dbraw/zinc/58/23/09/600582309.db2.gz ZBOJRGJSTMCISS-STQMWFEESA-N -1 0 350.440 2.927 20 30 FFEDRM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737736561 600595648 /nfs/dbraw/zinc/59/56/48/600595648.db2.gz AXDWYLKSHHZBCU-SJKOYZFVSA-N -1 0 353.378 2.769 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000739107425 600604835 /nfs/dbraw/zinc/60/48/35/600604835.db2.gz BOPKVUCAXGQMOX-HQWZXOHUSA-N -1 0 352.302 2.849 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)CCOc2ccc(C=O)cc2)C(=O)[O-])cc1 ZINC000739109097 600612084 /nfs/dbraw/zinc/61/20/84/600612084.db2.gz JSEJNEJTZUNPFF-GOSISDBHSA-N -1 0 353.330 2.509 20 30 FFEDRM C[C@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736703744 600614843 /nfs/dbraw/zinc/61/48/43/600614843.db2.gz IOJBHOUTJFKXTI-YVEFUNNKSA-N -1 0 353.330 2.507 20 30 FFEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000736091448 600650526 /nfs/dbraw/zinc/65/05/26/600650526.db2.gz UJWOKYKAZRVPRQ-UHFFFAOYSA-N -1 0 357.431 2.899 20 30 FFEDRM COC(=O)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1C(=O)[O-] ZINC000831424816 600666548 /nfs/dbraw/zinc/66/65/48/600666548.db2.gz YCMLPXUNCARAML-UHFFFAOYSA-N -1 0 371.324 2.504 20 30 FFEDRM N#Cc1nnc2ccccc2c1NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000739144900 600707669 /nfs/dbraw/zinc/70/76/69/600707669.db2.gz CFQSPRMCYNYGRE-ZDUSSCGKSA-N -1 0 350.353 2.996 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000825682110 600727944 /nfs/dbraw/zinc/72/79/44/600727944.db2.gz OFEXIOXXGJIILK-UHFFFAOYSA-N -1 0 370.430 2.774 20 30 FFEDRM C#CCCCNC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000825605402 600739238 /nfs/dbraw/zinc/73/92/38/600739238.db2.gz BWIOGKVGTKATGL-ZDUSSCGKSA-N -1 0 353.216 2.678 20 30 FFEDRM NC(=NOCCOc1ccc(C(=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000833078833 600802196 /nfs/dbraw/zinc/80/21/96/600802196.db2.gz RRPOGKQTKPZPAE-UHFFFAOYSA-N -1 0 352.749 2.893 20 30 FFEDRM N#Cc1cc(C(=O)[O-])cn(CCOc2cc(Cl)cc(Cl)c2)c1=O ZINC000739093986 600817820 /nfs/dbraw/zinc/81/78/20/600817820.db2.gz XNTGSJJETONLLR-UHFFFAOYSA-N -1 0 353.161 2.804 20 30 FFEDRM COc1cc(C(=O)[O-])cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)c1OC ZINC000831912738 600894312 /nfs/dbraw/zinc/89/43/12/600894312.db2.gz DKBANBRVGGWGIE-NSHDSACASA-N -1 0 369.377 2.713 20 30 FFEDRM COc1cc(C(=O)[O-])cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1OC ZINC000831912939 600894395 /nfs/dbraw/zinc/89/43/95/600894395.db2.gz IARXUJIIMFWOBI-NSHDSACASA-N -1 0 369.377 2.713 20 30 FFEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccn3)cc2)nc1 ZINC000833071750 600911564 /nfs/dbraw/zinc/91/15/64/600911564.db2.gz ORHSWLDOWJKADH-SFHVURJKSA-N -1 0 374.356 2.696 20 30 FFEDRM C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827609816 600935574 /nfs/dbraw/zinc/93/55/74/600935574.db2.gz VOJZMRGWIGWAIC-JTQLQIEISA-N -1 0 371.780 2.726 20 30 FFEDRM Cc1cccc(-n2nnnc2S[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738682037 600936563 /nfs/dbraw/zinc/93/65/63/600936563.db2.gz LZGTWDVMMZGCBU-HNNXBMFYSA-N -1 0 351.391 2.760 20 30 FFEDRM N#Cc1ccc(SCCCN2C(=O)CS/C2=C\C(=O)[O-])c(F)c1 ZINC000739132343 600986934 /nfs/dbraw/zinc/98/69/34/600986934.db2.gz KMWXMFVAYIEQTR-AUWJEWJLSA-N -1 0 352.412 2.681 20 30 FFEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000825706005 601153501 /nfs/dbraw/zinc/15/35/01/601153501.db2.gz XFKJTUUQYNFOOY-UHFFFAOYSA-N -1 0 363.347 2.789 20 30 FFEDRM CCOc1ccc(O)c(/C=N\[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000830084655 601177558 /nfs/dbraw/zinc/17/75/58/601177558.db2.gz IWBFWMXYQKISHU-VAODSVERSA-N -1 0 374.418 2.775 20 30 FFEDRM N#Cc1ccc(NC(=O)COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000833073260 601189123 /nfs/dbraw/zinc/18/91/23/601189123.db2.gz KGOZDPDPTQQYIC-QWRGUYRKSA-N -1 0 364.785 2.584 20 30 FFEDRM CCC(CC)CN(CCC#N)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000828858991 601219480 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353.330 2.655 20 30 FFEDRM Cc1nn2c(nc(C)cc2C)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832880821 601350385 /nfs/dbraw/zinc/35/03/85/601350385.db2.gz YKCTYDYEQQEMLG-INIZCTEOSA-N -1 0 364.361 2.509 20 30 FFEDRM CC(=O)c1cccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825961317 601350646 /nfs/dbraw/zinc/35/06/46/601350646.db2.gz XGCPZJVIKSLYPW-FZKQIMNGSA-N -1 0 367.357 2.897 20 30 FFEDRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1cc(C#N)c[nH]1 ZINC000827956187 601449965 /nfs/dbraw/zinc/44/99/65/601449965.db2.gz HLWRRRLLFZIDLM-LBPRGKRZSA-N -1 0 364.361 2.976 20 30 FFEDRM COc1ccc2c(c1)C=C(C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)CO2 ZINC000832487030 601604474 /nfs/dbraw/zinc/60/44/74/601604474.db2.gz LKFHGFFKUXOZSC-SFHVURJKSA-N -1 0 365.341 2.712 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)CCc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000833070991 601606297 /nfs/dbraw/zinc/60/62/97/601606297.db2.gz CCDQHXDEUZFLQT-KRWDZBQOSA-N -1 0 354.318 2.768 20 30 FFEDRM 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N#Cc1ccc(OC2CCN(C(=O)CC[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833978046 605455429 /nfs/dbraw/zinc/45/54/29/605455429.db2.gz YDCYDIFEVKISCD-MRXNPFEDSA-N -1 0 371.437 2.708 20 30 FFEDRM N#C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833960829 605461556 /nfs/dbraw/zinc/46/15/56/605461556.db2.gz LPOCXNTZFPVISA-AGIUHOORSA-N -1 0 355.316 2.823 20 30 FFEDRM CC[C@]1(C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)CCCN1C(=O)[O-] ZINC000833846634 605801608 /nfs/dbraw/zinc/80/16/08/605801608.db2.gz UCTLMMGTGZYSNR-GOSISDBHSA-N -1 0 370.365 2.574 20 30 FFEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000833761390 605808459 /nfs/dbraw/zinc/80/84/59/605808459.db2.gz XWEVTIANWZKZND-VXGBXAGGSA-N -1 0 356.357 2.713 20 30 FFEDRM COc1ccc(C#N)cc1COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829268617 605815356 /nfs/dbraw/zinc/81/53/56/605815356.db2.gz LARIPECVEJLACX-VHRNVKJDSA-N -1 0 358.394 2.921 20 30 FFEDRM CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826853854 605815494 /nfs/dbraw/zinc/81/54/94/605815494.db2.gz RVJPYSCRGZOUEW-AWEZNQCLSA-N -1 0 359.426 2.707 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000830943494 605839809 /nfs/dbraw/zinc/83/98/09/605839809.db2.gz XFZBSFPLCNCBFY-WCQYABFASA-N -1 0 356.382 2.511 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000824149327 605862006 /nfs/dbraw/zinc/86/20/06/605862006.db2.gz FQQIVIULASQPFQ-KMFMINBZSA-N -1 0 359.426 2.609 20 30 FFEDRM N#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])cc1C#N ZINC000833975230 605928742 /nfs/dbraw/zinc/92/87/42/605928742.db2.gz LQJPSROTNJROBC-SFHVURJKSA-N -1 0 373.372 2.729 20 30 FFEDRM N#Cc1ccc(Cc2cnc(NC(=O)CN(C(=O)[O-])C3CC3)s2)cc1 ZINC000833974576 605963425 /nfs/dbraw/zinc/96/34/25/605963425.db2.gz UIEINZZUBLDDJU-UHFFFAOYSA-N -1 0 356.407 2.686 20 30 FFEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CSCN3C(=O)[O-])s2)cc1 ZINC000833972620 606111869 /nfs/dbraw/zinc/11/18/69/606111869.db2.gz CFTQOIHWJPVANJ-ZDUSSCGKSA-N -1 0 374.447 2.597 20 30 FFEDRM COc1ccc2c(c1)C(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)CC2 ZINC000821849340 606166023 /nfs/dbraw/zinc/16/60/23/606166023.db2.gz DUTURCXDLNHHPI-UHFFFAOYSA-N -1 0 353.386 2.749 20 30 FFEDRM Cc1cc(C)n(N=C[C@H](C)CCc2ccccc2)c(=O)c1-c1nnn[n-]1 ZINC000822199057 606434855 /nfs/dbraw/zinc/43/48/55/606434855.db2.gz USXHBUPPNCQOJB-CYBMUJFWSA-N -1 0 350.426 2.748 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(C#N)c(F)c2)o1 ZINC000823962625 609159616 /nfs/dbraw/zinc/15/96/16/609159616.db2.gz NLMHBDSEAUIZTK-UHFFFAOYSA-N -1 0 354.349 2.825 20 30 FFEDRM Cc1cc(F)c(S(=O)(=O)N(CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC000156331799 728847927 /nfs/dbraw/zinc/84/79/27/728847927.db2.gz RKZAOSKIOKPLDX-UHFFFAOYSA-N -1 0 362.382 2.941 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2cscn2)c1 ZINC000744024028 735329312 /nfs/dbraw/zinc/32/93/12/735329312.db2.gz PFOVGBAIGREBOR-OAHLLOKOSA-N -1 0 357.435 2.675 20 30 FFEDRM 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FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739208144 603037784 /nfs/dbraw/zinc/03/77/84/603037784.db2.gz JHKYKPMPKWODKP-HOCLYGCPSA-N -1 0 374.441 2.557 20 30 FFEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)CN(CCOC)C(=O)[O-])c1 ZINC000738468335 603099078 /nfs/dbraw/zinc/09/90/78/603099078.db2.gz UQSLSZFPMZKZCM-UHFFFAOYSA-N -1 0 372.446 2.889 20 30 FFEDRM N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3CNC(=O)[O-])cc2)nc1 ZINC000831142366 603118590 /nfs/dbraw/zinc/11/85/90/603118590.db2.gz WLVDBVAWXXACDP-OAHLLOKOSA-N -1 0 366.377 2.618 20 30 FFEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)cc2)nc1 ZINC000739129029 603194818 /nfs/dbraw/zinc/19/48/18/603194818.db2.gz PGHACZTXOUQJEZ-OAHLLOKOSA-N -1 0 366.377 2.618 20 30 FFEDRM O=C([O-])NCc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000832690154 603280287 /nfs/dbraw/zinc/28/02/87/603280287.db2.gz HJTUVLXGCKRWEH-UHFFFAOYSA-N -1 0 366.295 2.848 20 30 FFEDRM O=C([O-])N1CCC[C@@H]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000831329488 603280328 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C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000823501109 603699595 /nfs/dbraw/zinc/69/95/95/603699595.db2.gz QWTUPLVCBPHGHT-UHFFFAOYSA-N -1 0 367.405 2.608 20 30 FFEDRM CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827932246 603708114 /nfs/dbraw/zinc/70/81/14/603708114.db2.gz NFKHZMTUIAKQJH-AWEZNQCLSA-N -1 0 369.377 2.555 20 30 FFEDRM COc1ccc(C#N)cc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000829268452 603961681 /nfs/dbraw/zinc/96/16/81/603961681.db2.gz JGGQWHBKSWGCLH-HNNXBMFYSA-N -1 0 353.378 2.774 20 30 FFEDRM CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000828085604 603983922 /nfs/dbraw/zinc/98/39/22/603983922.db2.gz HCXUDKISRUNCIS-ZDUSSCGKSA-N -1 0 372.450 2.547 20 30 FFEDRM C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1ccccc1C(F)(F)F ZINC000823667980 604070519 /nfs/dbraw/zinc/07/05/19/604070519.db2.gz BDXXVMSOFCTNCD-MNOVXSKESA-N -1 0 355.316 2.523 20 30 FFEDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825016435 604088060 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604582445 /nfs/dbraw/zinc/58/24/45/604582445.db2.gz REKKVTFAZDMGMO-AWEZNQCLSA-N -1 0 364.401 2.746 20 30 FFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000833368175 604590689 /nfs/dbraw/zinc/59/06/89/604590689.db2.gz IIMYFNOHZAGHGI-HNNXBMFYSA-N -1 0 366.417 2.590 20 30 FFEDRM CC(=O)N(c1nc(CN(CC#N)CC(=O)[O-])cs1)c1ccc(C)cc1C ZINC000833393984 604612407 /nfs/dbraw/zinc/61/24/07/604612407.db2.gz WMJDYTSTLSKMGD-UHFFFAOYSA-N -1 0 372.450 2.855 20 30 FFEDRM C=CC1CCN(C(=O)C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833370975 604623656 /nfs/dbraw/zinc/62/36/56/604623656.db2.gz JZWOBDBEHKMOSG-UHFFFAOYSA-N -1 0 362.451 2.617 20 30 FFEDRM COc1ccc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000794919908 604640948 /nfs/dbraw/zinc/64/09/48/604640948.db2.gz AGZWJMGXIBEEKQ-LLVKDONJSA-N -1 0 359.338 2.901 20 30 FFEDRM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000833361111 604649447 /nfs/dbraw/zinc/64/94/47/604649447.db2.gz WZVQLZAHKWEGBU-MRXNPFEDSA-N -1 0 351.362 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ZINC000193363117 988229679 /nfs/dbraw/zinc/22/96/79/988229679.db2.gz NNRRZNSJJXMHHI-INIZCTEOSA-N -1 0 355.438 2.915 20 30 FFEDRM N#Cc1cccc([C@@H]2CN(C(=O)c3nn(-c4ccccc4)cc3[O-])CCO2)c1 ZINC000762292644 988283444 /nfs/dbraw/zinc/28/34/44/988283444.db2.gz AMOTWLKKPTVFCO-IBGZPJMESA-N -1 0 374.400 2.663 20 30 FFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(C#N)nc2)cc1 ZINC001599811190 988337318 /nfs/dbraw/zinc/33/73/18/988337318.db2.gz QLBKTOHLLDBNKD-MRXNPFEDSA-N -1 0 355.419 2.550 20 30 FFEDRM CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cn2)n1 ZINC000762634820 988541597 /nfs/dbraw/zinc/54/15/97/988541597.db2.gz DNRGZSVOKYHPTI-OAHLLOKOSA-N -1 0 371.466 2.663 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1C#N ZINC001599828041 988627404 /nfs/dbraw/zinc/62/74/04/988627404.db2.gz LZPGNKCBPDJXMB-LLVKDONJSA-N -1 0 373.356 2.688 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1C#N ZINC001599828042 988627568 /nfs/dbraw/zinc/62/75/68/988627568.db2.gz 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CC(C)(C)OC(=O)Nc1ncc(CN2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001590319495 989755832 /nfs/dbraw/zinc/75/58/32/989755832.db2.gz HMCYHEZGSSRGRF-UHFFFAOYSA-N -1 0 366.443 2.680 20 30 FFEDRM COc1nccnc1[N-]N=C1c2ccccc2N(Cc2ccccc2)C1=O ZINC000763421660 990253045 /nfs/dbraw/zinc/25/30/45/990253045.db2.gz FNDZYAROGFDUJL-UHFFFAOYSA-N -1 0 359.389 2.848 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000918485590 990407052 /nfs/dbraw/zinc/40/70/52/990407052.db2.gz OUWQLQIPRVDCDU-MRXNPFEDSA-N -1 0 355.394 2.595 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000154978637 990640008 /nfs/dbraw/zinc/64/00/08/990640008.db2.gz LIBHIZIPGPAZKE-QGZVFWFLSA-N -1 0 358.344 2.655 20 30 FFEDRM CC(C)(NC(=O)NCc1ccccc1CC(=O)[O-])c1cccc(C#N)c1 ZINC001590855169 990739619 /nfs/dbraw/zinc/73/96/19/990739619.db2.gz ZRSYGIIXACLBPU-UHFFFAOYSA-N -1 0 351.406 2.920 20 30 FFEDRM N#C[C@@]1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CC2CCC1CC2 ZINC000923064054 990829551 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COc1cccc(OCCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001599681858 994995806 /nfs/dbraw/zinc/99/58/06/994995806.db2.gz IPYYMGZQWHSFKA-SFHVURJKSA-N -1 0 355.346 2.705 20 30 FFEDRM COCc1cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)ccc1OC ZINC001132618000 995028653 /nfs/dbraw/zinc/02/86/53/995028653.db2.gz YIJITNXCOJSAOO-UHFFFAOYSA-N -1 0 359.407 2.788 20 30 FFEDRM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)cc1O ZINC000811699081 995219622 /nfs/dbraw/zinc/21/96/22/995219622.db2.gz PRWRALZYMFZCLD-UTCJRWHESA-N -1 0 358.346 2.769 20 30 FFEDRM C#C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccc(F)cc1 ZINC000812755226 995527843 /nfs/dbraw/zinc/52/78/43/995527843.db2.gz PCRLZERXXCTWAL-OAHLLOKOSA-N -1 0 353.328 2.960 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593610777 995804400 /nfs/dbraw/zinc/80/44/00/995804400.db2.gz JMIOEGMXIFVGQT-BUXKBTBVSA-N -1 0 356.353 2.581 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593611187 995805915 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COc1cc(CN=Nc2nc[nH]n2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001599399039 997181830 /nfs/dbraw/zinc/18/18/30/997181830.db2.gz BDNXSLXJYWBZNA-UHFFFAOYSA-N -1 0 367.365 2.537 20 30 FFEDRM COc1cc(C=NN2CCOCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001599399572 997189987 /nfs/dbraw/zinc/18/99/87/997189987.db2.gz IREQBLNJMNMLDT-UHFFFAOYSA-N -1 0 370.405 2.639 20 30 FFEDRM COc1cc(CN(CC(=O)[O-])Cc2ccc(C#N)cc2F)cc(OC)c1 ZINC001599405795 997296693 /nfs/dbraw/zinc/29/66/93/997296693.db2.gz IPISQKYQZMYERN-UHFFFAOYSA-N -1 0 358.369 2.801 20 30 FFEDRM COc1cc(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)ccc1C#N ZINC001599411405 997428178 /nfs/dbraw/zinc/42/81/78/997428178.db2.gz ANOAIYIEAVKRCF-UHFFFAOYSA-N -1 0 369.377 2.742 20 30 FFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000730995987 997609107 /nfs/dbraw/zinc/60/91/07/997609107.db2.gz GFXZTXJLONNRLU-UHFFFAOYSA-N -1 0 374.393 2.523 20 30 FFEDRM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Oc1ccc(C#N)cc1 ZINC001599330222 997735601 /nfs/dbraw/zinc/73/56/01/997735601.db2.gz 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C=CCN1CC2(CCC1=O)CCN(C(=O)C=C([O-])c1ccccc1)CC2 ZINC001273247774 998432525 /nfs/dbraw/zinc/43/25/25/998432525.db2.gz WDMTVCJTLZVSOP-UHFFFAOYSA-N -1 0 354.450 2.677 20 30 FFEDRM CCO[N-]C(=O)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000845540185 998583330 /nfs/dbraw/zinc/58/33/30/998583330.db2.gz NEKFXGXXRQXDAI-CQSZACIVSA-N -1 0 366.421 2.653 20 30 FFEDRM Cc1cc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)ncc1C(N)=O ZINC000845834513 998670323 /nfs/dbraw/zinc/67/03/23/998670323.db2.gz UBSWMKSNLUKXKU-LBPRGKRZSA-N -1 0 367.430 2.635 20 30 FFEDRM C[C@H]1CC[C@](NC(=O)COc2cccc(C#N)c2)(C(=O)[O-])c2ccccc21 ZINC001594312902 999202266 /nfs/dbraw/zinc/20/22/66/999202266.db2.gz FFVQESCJFSBNOI-LHSJRXKWSA-N -1 0 364.401 2.931 20 30 FFEDRM O=C([N-]S(=O)(=O)c1ccccn1)c1ccc(C#Cc2ccccc2)cc1 ZINC000734963738 999366414 /nfs/dbraw/zinc/36/64/14/999366414.db2.gz HJSNUPMWMNXSGV-UHFFFAOYSA-N -1 0 362.410 2.600 20 30 FFEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000741159699 999711185 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1034269420 /nfs/dbraw/zinc/26/94/20/1034269420.db2.gz OZZCLBAJHHGMJP-UHFFFAOYSA-N -1 0 363.373 2.581 20 30 FFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C(F)(F)F)c1F ZINC001225923958 1034453300 /nfs/dbraw/zinc/45/33/00/1034453300.db2.gz KEAGFPKRKDJKRY-VIFPVBQESA-N -1 0 358.309 2.682 20 30 FFEDRM N#Cc1ccccc1CN1CC[C@H](Oc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC001225978923 1034476813 /nfs/dbraw/zinc/47/68/13/1034476813.db2.gz YFQALRLJMLCEFF-ZDUSSCGKSA-N -1 0 364.327 2.726 20 30 FFEDRM Cc1cc(=O)[n-]c(O[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1C#N ZINC001226223383 1034578858 /nfs/dbraw/zinc/57/88/58/1034578858.db2.gz PKWMUAISOGMENM-AEGPPILISA-N -1 0 359.426 2.992 20 30 FFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc2ccc(Cl)cc2n1 ZINC001226862011 1034866181 /nfs/dbraw/zinc/86/61/81/1034866181.db2.gz JVUGGVKNJWAEOV-CYBMUJFWSA-N -1 0 357.815 2.726 20 30 FFEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CC(=O)[O-])C(C)C)c1C#N ZINC000832849708 1035000550 /nfs/dbraw/zinc/00/05/50/1035000550.db2.gz 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N#CCCS(=O)(=O)[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000835411411 1035758267 /nfs/dbraw/zinc/75/82/67/1035758267.db2.gz MDHATXDCQLTYAR-UHFFFAOYSA-N -1 0 368.458 2.940 20 30 FFEDRM N#Cc1ccc([O-])c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001232677478 1035935226 /nfs/dbraw/zinc/93/52/26/1035935226.db2.gz DJSDGSDLBRRHOO-UHFFFAOYSA-N -1 0 355.825 2.875 20 30 FFEDRM C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860812 1036365813 /nfs/dbraw/zinc/36/58/13/1036365813.db2.gz WWXSEZMAVBTDCH-ZETCQYMHSA-N -1 0 350.249 2.601 20 30 FFEDRM C[C@H](Oc1nc[n-]c(=O)c1I)c1ccccc1C#N ZINC001228927901 1036413697 /nfs/dbraw/zinc/41/36/97/1036413697.db2.gz IWUYFXLXRPIZBM-QMMMGPOBSA-N -1 0 367.146 2.798 20 30 FFEDRM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2occc(=O)c12 ZINC001233834262 1036781208 /nfs/dbraw/zinc/78/12/08/1036781208.db2.gz LRLBTJRSEBXYDA-AWEZNQCLSA-N -1 0 360.438 2.690 20 30 FFEDRM C=C[C@H](Oc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1O)C(=O)OC ZINC001229749031 1036867998 /nfs/dbraw/zinc/86/79/98/1036867998.db2.gz OUOIDIIEXVBPSG-INIZCTEOSA-N -1 0 368.341 2.978 20 30 FFEDRM CC#CC[C@@H](CC)Oc1c(O)c([O-])cc2c(=O)oc3cc(O)c(=O)oc3c21 ZINC001229778383 1036889547 /nfs/dbraw/zinc/88/95/47/1036889547.db2.gz ZYBVKDLBHYEYKA-SECBINFHSA-N -1 0 372.329 2.587 20 30 FFEDRM C=C1O[C@@H](C)C(=O)C1Oc1cc(O)cc([O-])c1C(=O)c1cccc(O)c1 ZINC001234161093 1036949590 /nfs/dbraw/zinc/94/95/90/1036949590.db2.gz HWQBXAKQOVZJIS-VIFPVBQESA-N -1 0 356.330 2.633 20 30 FFEDRM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(Cl)c2ncccc12 ZINC001234341710 1036992999 /nfs/dbraw/zinc/99/29/99/1036992999.db2.gz PLWVRFIJLYIODG-NSHDSACASA-N -1 0 357.815 2.726 20 30 FFEDRM C#C[C@@H](OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC)[C@@H](CC)CCCC ZINC001234351563 1036996788 /nfs/dbraw/zinc/99/67/88/1036996788.db2.gz NNMRRFHAZDKZKB-NWDGAFQWSA-N -1 0 351.399 2.891 20 30 FFEDRM C#C[C@H](CCCCC)Oc1c(=O)[n-]c(-c2ccccn2)nc1C(=O)OC ZINC001234892240 1037227983 /nfs/dbraw/zinc/22/79/83/1037227983.db2.gz QLPGJNGUIUFMQK-CYBMUJFWSA-N -1 0 355.394 2.992 20 30 FFEDRM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(F)ccc(SC)c1F ZINC001234934619 1037247957 /nfs/dbraw/zinc/24/79/57/1037247957.db2.gz JUSXFDORQWZDHB-SECBINFHSA-N -1 0 354.396 2.525 20 30 FFEDRM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(OC2CC3(COC3)C2)c1C#N ZINC001231226847 1037504920 /nfs/dbraw/zinc/50/49/20/1037504920.db2.gz BPLSHZBRMLQZSB-UHFFFAOYSA-N -1 0 351.318 2.755 20 30 FFEDRM CCOC(=O)[C@H](CC)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21 ZINC001231227175 1037504933 /nfs/dbraw/zinc/50/49/33/1037504933.db2.gz DBCAWYPJCRONDN-AWEZNQCLSA-N -1 0 369.333 2.917 20 30 FFEDRM C=CC[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001256550253 1038555517 /nfs/dbraw/zinc/55/55/17/1038555517.db2.gz GWSLUJGBIGKETH-JTQLQIEISA-N -1 0 365.739 2.701 20 30 FFEDRM COc1cnc([C@@H]2CCCN2C(=O)Nc2cc(C#N)c(F)cc2C)[nH]c1=O ZINC001208866096 1038562827 /nfs/dbraw/zinc/56/28/27/1038562827.db2.gz ULFYKIMIYFTFTM-AWEZNQCLSA-N -1 0 371.372 2.879 20 30 FFEDRM COc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258027258 1039123894 /nfs/dbraw/zinc/12/38/94/1039123894.db2.gz VUMBMUUMIHONTE-UHFFFAOYSA-N -1 0 368.212 2.525 20 30 FFEDRM COc1cccc(-n2nccc2[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258045849 1039142054 /nfs/dbraw/zinc/14/20/54/1039142054.db2.gz YLFNEXLJMBYHDN-UHFFFAOYSA-N -1 0 354.391 2.553 20 30 FFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC001258334693 1039317365 /nfs/dbraw/zinc/31/73/65/1039317365.db2.gz HJZPLLXNHRHVAD-UHFFFAOYSA-N -1 0 370.887 2.995 20 30 FFEDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1F ZINC001258438250 1039371735 /nfs/dbraw/zinc/37/17/35/1039371735.db2.gz CPDWBXYDKABZHX-UHFFFAOYSA-N -1 0 363.201 2.847 20 30 FFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)cc2)c(C#N)c1C ZINC001252092625 1039430481 /nfs/dbraw/zinc/43/04/81/1039430481.db2.gz KOLILYMCVZARRE-UHFFFAOYSA-N -1 0 350.421 2.824 20 30 FFEDRM N#Cc1cc(F)ccc1Nc1ncc(S(=O)(=O)[O-])cc1Br ZINC001210551246 1039606420 /nfs/dbraw/zinc/60/64/20/1039606420.db2.gz QIELSENSTBWEFB-UHFFFAOYSA-N -1 0 372.175 2.845 20 30 FFEDRM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)cc1C#N)C(=O)C2 ZINC001258973182 1039629909 /nfs/dbraw/zinc/62/99/09/1039629909.db2.gz YJJRJMNHELHXGN-SJCJKPOMSA-N -1 0 350.415 2.834 20 30 FFEDRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(Cl)nc1C#N)C(=O)C2 ZINC001258978200 1039636267 /nfs/dbraw/zinc/63/62/67/1039636267.db2.gz GXQZBWCKNYELIH-QLJPJBMISA-N -1 0 367.858 2.744 20 30 FFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259081089 1039695309 /nfs/dbraw/zinc/69/53/09/1039695309.db2.gz XECYSFCCHKQACE-UHFFFAOYSA-N -1 0 370.308 2.563 20 30 FFEDRM N#CCC1CN(C(=O)[C@H]2CC23CCN(C(=O)c2cccc([S-])c2)CC3)C1 ZINC001278683183 1039708968 /nfs/dbraw/zinc/70/89/68/1039708968.db2.gz UKFABNIDYZQBPL-QGZVFWFLSA-N -1 0 369.490 2.590 20 30 FFEDRM N#Cc1cnn(-c2ccc(F)cc2)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252811274 1039713585 /nfs/dbraw/zinc/71/35/85/1039713585.db2.gz RATJFHLPGLJGGT-UHFFFAOYSA-N -1 0 356.382 2.825 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(Br)nc2Cl)c1 ZINC001259117957 1039726887 /nfs/dbraw/zinc/72/68/87/1039726887.db2.gz RKCYRWMDILDZEF-UHFFFAOYSA-N -1 0 373.619 2.565 20 30 FFEDRM COc1cccc(-n2nccc2[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259118885 1039728935 /nfs/dbraw/zinc/72/89/35/1039728935.db2.gz VKJXYODLQHCPMU-UHFFFAOYSA-N -1 0 354.391 2.553 20 30 FFEDRM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccsc2C#N)cc1 ZINC001259318116 1039909963 /nfs/dbraw/zinc/90/99/63/1039909963.db2.gz ZFPWJVDNYKCNJX-UHFFFAOYSA-N -1 0 350.421 2.526 20 30 FFEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)ccc1F ZINC001259417692 1039987585 /nfs/dbraw/zinc/98/75/85/1039987585.db2.gz XHPNJTTVBSQHTO-UHFFFAOYSA-N -1 0 371.187 2.966 20 30 FFEDRM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC001259470154 1040035431 /nfs/dbraw/zinc/03/54/31/1040035431.db2.gz CCSFFNFNGFWENB-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM Cc1cc(C)cc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCOCC2)c1 ZINC001259518332 1040084305 /nfs/dbraw/zinc/08/43/05/1040084305.db2.gz WUVFOUFRRYDCOH-UHFFFAOYSA-N -1 0 360.439 2.524 20 30 FFEDRM N#Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC001259732770 1040149189 /nfs/dbraw/zinc/14/91/89/1040149189.db2.gz KXOBGIOOYOEHSD-UHFFFAOYSA-N -1 0 352.419 2.728 20 30 FFEDRM COC(=O)c1sc([N-]S(=O)(=O)CCc2ccccc2)c(C#N)c1C ZINC001259732543 1040150252 /nfs/dbraw/zinc/15/02/52/1040150252.db2.gz YWWHYXAUYDQVRA-UHFFFAOYSA-N -1 0 364.448 2.699 20 30 FFEDRM COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)Cc1ccccc1C ZINC001260016224 1040353464 /nfs/dbraw/zinc/35/34/64/1040353464.db2.gz FDHWPBNMYGTSCL-UHFFFAOYSA-N -1 0 350.421 2.657 20 30 FFEDRM C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260213886 1040466886 /nfs/dbraw/zinc/46/68/86/1040466886.db2.gz YHPBGOYHHFHGGB-QGZVFWFLSA-N -1 0 373.405 2.835 20 30 FFEDRM CCCCCCCCOC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260231408 1040479449 /nfs/dbraw/zinc/47/94/49/1040479449.db2.gz OXOYRDXZQAUBDQ-UHFFFAOYSA-N -1 0 371.455 2.567 20 30 FFEDRM Cc1c2c(c(C)c(C)c1S(=O)(=O)[N-]c1cnn(C)c1C#N)OC(C)(C)C2 ZINC001260245266 1040490122 /nfs/dbraw/zinc/49/01/22/1040490122.db2.gz TXBGDXAZNJBHFJ-UHFFFAOYSA-N -1 0 374.466 2.731 20 30 FFEDRM C#CCOc1cccc(OCc2cn(Cc3ccccc3C(=O)[O-])nn2)c1 ZINC001254102795 1040569794 /nfs/dbraw/zinc/56/97/94/1040569794.db2.gz TZCAJSUUTGRNNV-UHFFFAOYSA-N -1 0 363.373 2.616 20 30 FFEDRM N#Cc1c(F)ccc(F)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001260388812 1040571715 /nfs/dbraw/zinc/57/17/15/1040571715.db2.gz AOCWWDXXFCSYGK-UHFFFAOYSA-N -1 0 352.347 2.642 20 30 FFEDRM N#Cc1c([O-])csc1Nc1ccc(OCCN2CCOCC2)cc1F ZINC001213481495 1040591854 /nfs/dbraw/zinc/59/18/54/1040591854.db2.gz FYESMVMEKWNPIK-UHFFFAOYSA-N -1 0 363.414 2.919 20 30 FFEDRM N#Cc1ncc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl ZINC001260447882 1040598887 /nfs/dbraw/zinc/59/88/87/1040598887.db2.gz YGZHEHJLSJHDHM-UHFFFAOYSA-N -1 0 361.766 2.514 20 30 FFEDRM Cc1oc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(C#N)c1C ZINC001261067715 1040974988 /nfs/dbraw/zinc/97/49/88/1040974988.db2.gz LOYKPGQARMANET-UHFFFAOYSA-N -1 0 352.759 2.759 20 30 FFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C#N)c1 ZINC001254968126 1041074931 /nfs/dbraw/zinc/07/49/31/1041074931.db2.gz UNIUVHFVZWZPJY-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM Cc1noc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)c1C#N ZINC001250634965 1041273130 /nfs/dbraw/zinc/27/31/30/1041273130.db2.gz WLZIFBGIXKRCEZ-UHFFFAOYSA-N -1 0 356.407 2.875 20 30 FFEDRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC001250760149 1041348200 /nfs/dbraw/zinc/34/82/00/1041348200.db2.gz FXYSETJVSCEQBF-UHFFFAOYSA-N -1 0 370.481 2.761 20 30 FFEDRM CO[C@@H]1CCc2c(C#N)c([N-]S(=O)(=O)c3ccc(C)nc3)sc2C1 ZINC001262168197 1041585590 /nfs/dbraw/zinc/58/55/90/1041585590.db2.gz OQLFHETUTWLYEP-LLVKDONJSA-N -1 0 363.464 2.628 20 30 FFEDRM C#CCN(CC#N)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001262621733 1041758683 /nfs/dbraw/zinc/75/86/83/1041758683.db2.gz VYZQCJSQXZSNDS-UHFFFAOYSA-N -1 0 372.016 2.516 20 30 FFEDRM N#Cc1ccc(-c2noc(-c3cc([O-])c(Br)c(O)c3)n2)nc1 ZINC001215476058 1041797968 /nfs/dbraw/zinc/79/79/68/1041797968.db2.gz MRKCGRSLKUEVDG-UHFFFAOYSA-N -1 0 359.139 2.844 20 30 FFEDRM N#Cc1c(Cl)cccc1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001216128509 1041959369 /nfs/dbraw/zinc/95/93/69/1041959369.db2.gz DFPVVSLDSRIOCS-UHFFFAOYSA-N -1 0 351.771 2.927 20 30 FFEDRM C=CCn1c(-c2c[nH]oc2=O)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001262962841 1041992644 /nfs/dbraw/zinc/99/26/44/1041992644.db2.gz XQVJFJAXHAZIPO-GOSISDBHSA-N -1 0 355.373 2.900 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc3c(o2)CCCC3)cc1 ZINC001263313819 1042236514 /nfs/dbraw/zinc/23/65/14/1042236514.db2.gz WBAUULZQEVJAAW-KRWDZBQOSA-N -1 0 366.417 2.848 20 30 FFEDRM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc([S-])c2)cc1C#N ZINC001279199811 1042944052 /nfs/dbraw/zinc/94/40/52/1042944052.db2.gz ZFUUPOWBKDXAPI-CALCHBBNSA-N -1 0 366.490 2.674 20 30 FFEDRM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1c(F)cccc1F ZINC001309876350 1043567339 /nfs/dbraw/zinc/56/73/39/1043567339.db2.gz HUWATKOQXOUQII-SECBINFHSA-N -1 0 367.333 2.784 20 30 FFEDRM COc1ccc2oc(C)c(C(=O)[N-]S(=O)(=O)c3ccccc3C#N)c2c1 ZINC001319067250 1045010698 /nfs/dbraw/zinc/01/06/98/1045010698.db2.gz FADATAVLUMACQJ-UHFFFAOYSA-N -1 0 370.386 2.740 20 30 FFEDRM COC(=O)c1cc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1C#N ZINC001244039387 1045067076 /nfs/dbraw/zinc/06/70/76/1045067076.db2.gz ABTIRRBUGWHETG-UHFFFAOYSA-N -1 0 352.346 2.815 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cncc(-c2ccccc2)c1 ZINC001319593249 1045207483 /nfs/dbraw/zinc/20/74/83/1045207483.db2.gz GWEAPBKDKSYHPY-UHFFFAOYSA-N -1 0 363.398 2.739 20 30 FFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)oc2c1 ZINC001320553208 1045427913 /nfs/dbraw/zinc/42/79/13/1045427913.db2.gz GPHKGUWCQMMFGA-UHFFFAOYSA-N -1 0 371.418 2.853 20 30 FFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1F ZINC001321071055 1045534069 /nfs/dbraw/zinc/53/40/69/1045534069.db2.gz XEKSMYJFMZGLJM-GFCCVEGCSA-N -1 0 370.421 2.988 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N=[S@@](C)(=O)c2ccccc2F)cc1C#N ZINC001539637828 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20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC001557238805 1075825690 /nfs/dbraw/zinc/82/56/90/1075825690.db2.gz GOHBSVFAZPSPBW-UHFFFAOYSA-N -1 0 354.366 2.570 20 30 FFEDRM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001557243376 1075826775 /nfs/dbraw/zinc/82/67/75/1075826775.db2.gz SLAGQRDOJGTUCP-OAHLLOKOSA-N -1 0 366.377 2.523 20 30 FFEDRM C#CCONC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001557457558 1075852178 /nfs/dbraw/zinc/85/21/78/1075852178.db2.gz JLPZBFTUDRJUJL-UHFFFAOYSA-N -1 0 350.783 2.654 20 30 FFEDRM CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(=O)c1ccccc1 ZINC001558075008 1075937880 /nfs/dbraw/zinc/93/78/80/1075937880.db2.gz MQUZVWKRYQBQNY-CQSZACIVSA-N -1 0 355.419 2.772 20 30 FFEDRM CC(=O)[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1F ZINC001561681575 1076406262 /nfs/dbraw/zinc/40/62/62/1076406262.db2.gz SQABAPAZSKMOPO-HNNXBMFYSA-N -1 0 368.336 2.584 20 30 FFEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 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C#CC[C@@H](CC)c1nnc(N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)n1CC ZINC001588390247 1080003852 /nfs/dbraw/zinc/00/38/52/1080003852.db2.gz PEMCUCRZASWOBK-OLZOCXBDSA-N -1 0 373.482 2.964 20 30 FFEDRM C#CC[C@H](NC(=O)C(C)(C)Sc1ccc(Br)cc1)C(=O)[O-] ZINC001588393371 1080005659 /nfs/dbraw/zinc/00/56/59/1080005659.db2.gz ARCRMKTWASAINE-LBPRGKRZSA-N -1 0 370.268 2.913 20 30 FFEDRM C#CC[C@H](CCOC)NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588395915 1080007976 /nfs/dbraw/zinc/00/79/76/1080007976.db2.gz VMPQKBQWRWNBRP-DLBZAZTESA-N -1 0 358.438 2.532 20 30 FFEDRM C#CC[C@H](NC(=O)Cc1csc2ccc(Br)cc12)C(=O)[O-] ZINC001588407404 1080011720 /nfs/dbraw/zinc/01/17/20/1080011720.db2.gz HIOFIEBXEAKNAN-LBPRGKRZSA-N -1 0 366.236 2.799 20 30 FFEDRM C#CC[C@@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C(=O)[O-] ZINC001588413634 1080017535 /nfs/dbraw/zinc/01/75/35/1080017535.db2.gz DQWAGBXYGYLGPG-CYBMUJFWSA-N -1 0 366.801 2.893 20 30 FFEDRM C#CCC1(NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCOCC1 ZINC001588428031 1080023090 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C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588598851 1080119205 /nfs/dbraw/zinc/11/92/05/1080119205.db2.gz PZTUWZOMWFBBDW-SFHVURJKSA-N -1 0 362.380 2.587 20 30 FFEDRM C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588598794 1080119243 /nfs/dbraw/zinc/11/92/43/1080119243.db2.gz OGLIIUSCGPANBL-HNNXBMFYSA-N -1 0 358.417 2.885 20 30 FFEDRM C=C(C)Cn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588599410 1080119271 /nfs/dbraw/zinc/11/92/71/1080119271.db2.gz OGDTWIUNSDTUTM-WBVHZDCISA-N -1 0 368.437 2.579 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001588613665 1080122641 /nfs/dbraw/zinc/12/26/41/1080122641.db2.gz BNAFNLXGDDAJJQ-UHFFFAOYSA-N -1 0 355.394 2.864 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001588622070 1080124954 /nfs/dbraw/zinc/12/49/54/1080124954.db2.gz OGQUSRNBRXUVRL-RRFJBIMHSA-N -1 0 366.458 2.559 20 30 FFEDRM C=C[C@H](C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccccc1 ZINC001588663836 1080146438 /nfs/dbraw/zinc/14/64/38/1080146438.db2.gz KYDFSHGZHDJMIL-KRWDZBQOSA-N -1 0 352.390 2.799 20 30 FFEDRM C=CCn1c(C)nnc1SCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC001588702754 1080162050 /nfs/dbraw/zinc/16/20/50/1080162050.db2.gz DLTNGCFLSQLZCQ-UHFFFAOYSA-N -1 0 357.443 2.514 20 30 FFEDRM C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001588704828 1080162418 /nfs/dbraw/zinc/16/24/18/1080162418.db2.gz PMMNBYLIKLCXOI-ZDUSSCGKSA-N -1 0 352.446 2.965 20 30 FFEDRM C=C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)[O-] ZINC001588715575 1080167525 /nfs/dbraw/zinc/16/75/25/1080167525.db2.gz ZKTDFKXFMFLAJF-CYBMUJFWSA-N -1 0 354.391 2.519 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588743955 1080179006 /nfs/dbraw/zinc/17/90/06/1080179006.db2.gz FYJZXMKBVOPYDK-IXDOHACOSA-N -1 0 351.468 2.737 20 30 FFEDRM C=CC[C@H](Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)C(=O)[O-] ZINC001588759154 1080182976 /nfs/dbraw/zinc/18/29/76/1080182976.db2.gz QHUKCINHOKEPTJ-LBPRGKRZSA-N -1 0 366.395 2.884 20 30 FFEDRM C=CC[C@@H](c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588762464 1080183931 /nfs/dbraw/zinc/18/39/31/1080183931.db2.gz JLSVBQMHYCSZJW-IAGOWNOFSA-N -1 0 370.453 2.686 20 30 FFEDRM C=CCC1(NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCOCC1 ZINC001588767356 1080185595 /nfs/dbraw/zinc/18/55/95/1080185595.db2.gz XCTMXPXOKTVNFC-UHFFFAOYSA-N -1 0 353.444 2.752 20 30 FFEDRM C=CC[C@@H]1NC(=O)N(Cc2cccc(-c3nc(C(=O)[O-])cs3)c2)C1=O ZINC001588774235 1080189917 /nfs/dbraw/zinc/18/99/17/1080189917.db2.gz VSRCFVAFKHUJHY-LBPRGKRZSA-N -1 0 357.391 2.505 20 30 FFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001588776873 1080190808 /nfs/dbraw/zinc/19/08/08/1080190808.db2.gz LIYYILQDEQVTFX-UHFFFAOYSA-N -1 0 367.471 2.552 20 30 FFEDRM C=CCCC[C@H](NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC001588790234 1080197637 /nfs/dbraw/zinc/19/76/37/1080197637.db2.gz UBPHFJCLWLPCNL-GQGLESIBSA-N -1 0 353.459 2.667 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1CSc1nc[nH]n1)C(=O)[O-] ZINC001588793561 1080198720 /nfs/dbraw/zinc/19/87/20/1080198720.db2.gz SRZZVEBLTHUNMF-CQSZACIVSA-N -1 0 360.439 2.636 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)C(=O)[O-] ZINC001588797924 1080200535 /nfs/dbraw/zinc/20/05/35/1080200535.db2.gz OASXDJOTRSPUHG-AWEZNQCLSA-N -1 0 363.364 2.998 20 30 FFEDRM C=CCCn1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nn1 ZINC001588817875 1080206559 /nfs/dbraw/zinc/20/65/59/1080206559.db2.gz XLBBRWAGKPAFCE-CYBMUJFWSA-N -1 0 369.299 2.856 20 30 FFEDRM C=CCN(C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])[C@@H](C)COC ZINC001588820453 1080207676 /nfs/dbraw/zinc/20/76/76/1080207676.db2.gz DDDQNXSRAIRWTQ-VIFPVBQESA-N -1 0 370.427 2.596 20 30 FFEDRM C=CCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588823983 1080208753 /nfs/dbraw/zinc/20/87/53/1080208753.db2.gz JERHVZCMGJVADK-PMPSAXMXSA-N -1 0 367.392 2.615 20 30 FFEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001588831945 1080211511 /nfs/dbraw/zinc/21/15/11/1080211511.db2.gz ZMBAUDDOUNOKEF-UHFFFAOYSA-N -1 0 362.363 2.674 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001588832509 1080211803 /nfs/dbraw/zinc/21/18/03/1080211803.db2.gz IRRRUHGOLOTPCZ-UHFFFAOYSA-N -1 0 350.378 2.800 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cnccc1C(=O)[O-] ZINC001588831742 1080211828 /nfs/dbraw/zinc/21/18/28/1080211828.db2.gz NAOVOTCTTYXBFL-GFCCVEGCSA-N -1 0 374.418 2.601 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001588831758 1080212181 /nfs/dbraw/zinc/21/21/81/1080212181.db2.gz OIYFAHGHFVTVDZ-UHFFFAOYSA-N -1 0 358.419 2.908 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001588832941 1080212263 /nfs/dbraw/zinc/21/22/63/1080212263.db2.gz YZWDRTLZWKDAIB-UHFFFAOYSA-N -1 0 362.432 2.695 20 30 FFEDRM C=CCN1C(=O)c2ccccc2N[C@@H]1c1c(C)nn(CCC(=O)[O-])c1C ZINC001588837112 1080212774 /nfs/dbraw/zinc/21/27/74/1080212774.db2.gz QNNQPLYKZOGXOQ-SFHVURJKSA-N -1 0 354.410 2.727 20 30 FFEDRM C=CCN1C(=O)N[C@H](c2cnc(-c3ccccc3)nc2)C(C(=O)[O-])=C1C ZINC001588837190 1080213276 /nfs/dbraw/zinc/21/32/76/1080213276.db2.gz UHEBSQKRPXGKCT-MRXNPFEDSA-N -1 0 350.378 2.755 20 30 FFEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cc2C1=O ZINC001588837257 1080214242 /nfs/dbraw/zinc/21/42/42/1080214242.db2.gz WPAOQWNMOWCRRY-UHFFFAOYSA-N -1 0 364.357 2.728 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588843666 1080215074 /nfs/dbraw/zinc/21/50/74/1080215074.db2.gz DXEYCWWEHHBLAQ-UHFFFAOYSA-N -1 0 367.405 2.665 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(=O)[O-] ZINC001588859334 1080220735 /nfs/dbraw/zinc/22/07/35/1080220735.db2.gz IHUGTPPVNCDESC-QGZVFWFLSA-N -1 0 356.422 2.788 20 30 FFEDRM C=CCOCc1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1CC(C)C ZINC001588868721 1080222185 /nfs/dbraw/zinc/22/21/85/1080222185.db2.gz TXKQLYXEGBHTAV-OAHLLOKOSA-N -1 0 364.490 2.964 20 30 FFEDRM CC(=O)Nc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1 ZINC001588876214 1080227079 /nfs/dbraw/zinc/22/70/79/1080227079.db2.gz OQEPJWJGUHUNJC-UHFFFAOYSA-N -1 0 368.401 2.557 20 30 FFEDRM C=CCSc1ccccc1NC(=O)COC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001588879835 1080229755 /nfs/dbraw/zinc/22/97/55/1080229755.db2.gz SAXJDALNTUOTOJ-UHFFFAOYSA-N -1 0 360.391 2.787 20 30 FFEDRM C=CCc1cc(C(=O)NCc2ncc(C(=O)[O-])s2)cc(OC)c1OC ZINC001588882380 1080230888 /nfs/dbraw/zinc/23/08/88/1080230888.db2.gz PSTGKFYPJMMMCE-UHFFFAOYSA-N -1 0 362.407 2.517 20 30 FFEDRM C=CCc1cc(CNC(=O)NCc2cc(C(=O)[O-])co2)cc(OC)c1OC ZINC001588885115 1080232435 /nfs/dbraw/zinc/23/24/35/1080232435.db2.gz AWMFTUVBIJSWEA-UHFFFAOYSA-N -1 0 374.393 2.723 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnc(OCC)cn1 ZINC001588885079 1080232617 /nfs/dbraw/zinc/23/26/17/1080232617.db2.gz KVVJTXZAGPWCRA-UHFFFAOYSA-N -1 0 358.350 2.530 20 30 FFEDRM C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588895228 1080243970 /nfs/dbraw/zinc/24/39/70/1080243970.db2.gz AKSCXPCODHJDQJ-CYBMUJFWSA-N -1 0 370.453 2.599 20 30 FFEDRM C=CCn1c([C@H](C)c2ccccn2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588895748 1080245291 /nfs/dbraw/zinc/24/52/91/1080245291.db2.gz MJAYZJQJBBMTMT-RRFJBIMHSA-N -1 0 355.442 2.558 20 30 FFEDRM C=CCn1c([C@H](CC)[C@@H](O)c2ccccc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588895508 1080245587 /nfs/dbraw/zinc/24/55/87/1080245587.db2.gz HMFIWUIUOHMYMY-BBWFWOEESA-N -1 0 370.453 2.602 20 30 FFEDRM C=CCn1c(CCCCC#N)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588896929 1080246045 /nfs/dbraw/zinc/24/60/45/1080246045.db2.gz GHACAQGBGQYWEQ-UHFFFAOYSA-N -1 0 365.437 2.961 20 30 FFEDRM C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588896968 1080246549 /nfs/dbraw/zinc/24/65/49/1080246549.db2.gz GUGXTVQQVLISKQ-AWEZNQCLSA-N -1 0 359.474 2.884 20 30 FFEDRM C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588897232 1080246709 /nfs/dbraw/zinc/24/67/09/1080246709.db2.gz PDABOHGXQHDLES-GBJTYRQASA-N -1 0 362.474 2.682 20 30 FFEDRM C=CCn1c(CC[C@H]2CCCO2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588898120 1080247019 /nfs/dbraw/zinc/24/70/19/1080247019.db2.gz RPKDTAPEYFQTHH-CQSZACIVSA-N -1 0 374.441 2.812 20 30 FFEDRM C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588900758 1080248367 /nfs/dbraw/zinc/24/83/67/1080248367.db2.gz NDKHMNOVRYGZKH-LJQANCHMSA-N -1 0 374.416 2.873 20 30 FFEDRM C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588900274 1080248679 /nfs/dbraw/zinc/24/86/79/1080248679.db2.gz DQNFKJVXPGMKOU-AWEZNQCLSA-N -1 0 365.437 2.837 20 30 FFEDRM C=CCn1c(SCC(=O)C2(C(=O)[O-])CC2)nnc1-c1ccc(C)cc1 ZINC001588907321 1080256160 /nfs/dbraw/zinc/25/61/60/1080256160.db2.gz IYSOBMGYEBSMOM-UHFFFAOYSA-N -1 0 357.435 2.966 20 30 FFEDRM C=CCn1c2ccccc2nc1SCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001588907149 1080256406 /nfs/dbraw/zinc/25/64/06/1080256406.db2.gz DAOJRORBYQSJCP-AWEZNQCLSA-N -1 0 361.467 2.930 20 30 FFEDRM C=CCn1c([C@@H]2C[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588910384 1080257594 /nfs/dbraw/zinc/25/75/94/1080257594.db2.gz VTGIZJGOTYDHOH-XLNGHYISSA-N -1 0 352.438 2.892 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cnc(Cl)cc2-c2nn[nH]n2)cc1 ZINC001589036064 1080317676 /nfs/dbraw/zinc/31/76/76/1080317676.db2.gz MKWWRLNJCNFESN-UHFFFAOYSA-N -1 0 367.800 2.969 20 30 FFEDRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001589204872 1080417329 /nfs/dbraw/zinc/41/73/29/1080417329.db2.gz PRFLOAXFMHXZNV-OAHLLOKOSA-N -1 0 356.422 2.595 20 30 FFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(-c3nn[nH]n3)n2)s1 ZINC001589232704 1080436630 /nfs/dbraw/zinc/43/66/30/1080436630.db2.gz WOMBFXBNIQDLOV-VIFPVBQESA-N -1 0 353.411 2.506 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC(C2CCC2)[C@H]2CCCO2)o1 ZINC001589238263 1080439716 /nfs/dbraw/zinc/43/97/16/1080439716.db2.gz QQTAIUUELAJBLB-LLVKDONJSA-N -1 0 359.434 2.899 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnc(C(C)(C)C)nc2)o1 ZINC001589243884 1080442932 /nfs/dbraw/zinc/44/29/32/1080442932.db2.gz MFGUCCNKFWTKPL-UHFFFAOYSA-N -1 0 369.433 2.686 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001589335697 1080487960 /nfs/dbraw/zinc/48/79/60/1080487960.db2.gz SUFNZXUNUBSOMB-LBPRGKRZSA-N -1 0 371.349 2.961 20 30 FFEDRM CC(C)(C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccc(C#N)cc1 ZINC001589574622 1080612929 /nfs/dbraw/zinc/61/29/29/1080612929.db2.gz AJUDUYQJJHMBAW-KRWDZBQOSA-N -1 0 354.381 2.787 20 30 FFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC001589612201 1080634788 /nfs/dbraw/zinc/63/47/88/1080634788.db2.gz SPGCLJOLJVGMKT-HNNXBMFYSA-N -1 0 366.421 2.707 20 30 FFEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC001589702399 1080678757 /nfs/dbraw/zinc/67/87/57/1080678757.db2.gz FPJAUHMHKBNIPZ-SNVBAGLBSA-N -1 0 369.219 2.727 20 30 FFEDRM CC1(C)CC[C@@H](CNc2cnc(C#N)c(-c3nnn[n-]3)n2)c2ccccc21 ZINC001590091513 1081002847 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521317235 /nfs/dbraw/zinc/31/72/35/521317235.db2.gz NNOKEHUXDAAFHA-LBPRGKRZSA-N -1 0 355.398 2.539 20 30 FFEDRM COc1ccc(-c2n[n-]c(=NC(=O)N3CCC[C@@H](CC#N)C3)s2)cc1 ZINC000596842969 521325892 /nfs/dbraw/zinc/32/58/92/521325892.db2.gz QDMHEQWXSCOBCH-LBPRGKRZSA-N -1 0 357.439 2.793 20 30 FFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1 ZINC000619461473 521580079 /nfs/dbraw/zinc/58/00/79/521580079.db2.gz IRYNWWMFIKMFNH-UHFFFAOYSA-N -1 0 355.419 2.680 20 30 FFEDRM C=CCn1cc(CNC(=O)[C@@](C)(CC(=O)[O-])c2ccc(C(C)C)cc2)nn1 ZINC000634843703 521763157 /nfs/dbraw/zinc/76/31/57/521763157.db2.gz UDBAVVYFGGOBGH-FQEVSTJZSA-N -1 0 370.453 2.636 20 30 FFEDRM CCC[C@@H](CCCCNS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-] ZINC000619675601 521820788 /nfs/dbraw/zinc/82/07/88/521820788.db2.gz GCXKARKUKIQIQC-HNNXBMFYSA-N -1 0 352.456 2.702 20 30 FFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000629333716 522146209 /nfs/dbraw/zinc/14/62/09/522146209.db2.gz ATIGIUFXOPYBSX-SNVBAGLBSA-N -1 0 363.357 2.990 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C#CCOc1ccccc1CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588504323 1080061002 /nfs/dbraw/zinc/06/10/02/1080061002.db2.gz QVNMLKKGFYRAJC-UHFFFAOYSA-N -1 0 356.353 2.787 20 30 FFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2c(C)sc(C)c2C(=O)[O-])n1 ZINC001588509800 1080062862 /nfs/dbraw/zinc/06/28/62/1080062862.db2.gz NKSLQRNPPBKLNA-UHFFFAOYSA-N -1 0 360.439 2.947 20 30 FFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC001588523317 1080076971 /nfs/dbraw/zinc/07/69/71/1080076971.db2.gz GNACGMMNUFEIRU-UHFFFAOYSA-N -1 0 354.387 2.882 20 30 FFEDRM C#Cc1cncc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC001588529099 1080080286 /nfs/dbraw/zinc/08/02/86/1080080286.db2.gz QJQQZVHRROABNX-OAHLLOKOSA-N -1 0 373.206 2.771 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)C(=O)[O-] ZINC001588537539 1080084971 /nfs/dbraw/zinc/08/49/71/1080084971.db2.gz RIFUCQQVGNSNOV-OFLPRAFFSA-N -1 0 364.486 2.777 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001588539020 1080086512 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373.634 2.766 20 30 FFEDRM C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588571261 1080102739 /nfs/dbraw/zinc/10/27/39/1080102739.db2.gz IITYZVVFQYXXEH-BDAKNGLRSA-N -1 0 369.882 2.638 20 30 FFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001588581879 1080107661 /nfs/dbraw/zinc/10/76/61/1080107661.db2.gz CCJWATRMFLQSHC-LLVKDONJSA-N -1 0 367.862 2.639 20 30 FFEDRM C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588591671 1080114331 /nfs/dbraw/zinc/11/43/31/1080114331.db2.gz LKGFZRJAHAWDGW-WFASDCNBSA-N -1 0 355.398 2.717 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588590967 1080114645 /nfs/dbraw/zinc/11/46/45/1080114645.db2.gz CZZPTNHJZGFDKV-CVEARBPZSA-N -1 0 362.474 2.828 20 30 FFEDRM C=C(C)Cn1c(CCCCC#N)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588598174 1080118250 /nfs/dbraw/zinc/11/82/50/1080118250.db2.gz UJXKTOSXYCJANU-KXBFYZLASA-N -1 0 357.458 2.782 20 30 FFEDRM C=C(C)Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001588598901 1080119174 /nfs/dbraw/zinc/11/91/74/1080119174.db2.gz RSEWQRZFZLCCAY-ICSRJNTNSA-N -1 0 369.469 2.881 20 30 FFEDRM C=C(C)Cn1c(Cc2cccc(O)c2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588599264 1080119475 /nfs/dbraw/zinc/11/94/75/1080119475.db2.gz WZEUECSPDJSTOW-XOBRGWDASA-N -1 0 370.453 2.698 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001588612663 1080121802 /nfs/dbraw/zinc/12/18/02/1080121802.db2.gz VIQIHCMNXKVLAP-CQSZACIVSA-N -1 0 354.447 2.655 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001588614778 1080122595 /nfs/dbraw/zinc/12/25/95/1080122595.db2.gz BLZBDIAWSMEZOQ-LBPRGKRZSA-N -1 0 354.809 2.937 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001588619350 1080123864 /nfs/dbraw/zinc/12/38/64/1080123864.db2.gz RAKIHZWRADRIAP-BEFAXECRSA-N -1 0 361.438 2.849 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001588622714 1080125390 /nfs/dbraw/zinc/12/53/90/1080125390.db2.gz CYMSOBFJDNEQQR-OAHLLOKOSA-N -1 0 366.845 2.547 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC001588623729 1080125856 /nfs/dbraw/zinc/12/58/56/1080125856.db2.gz VYQZEPQTTJVBQV-LLVKDONJSA-N -1 0 356.216 2.754 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588633808 1080129954 /nfs/dbraw/zinc/12/99/54/1080129954.db2.gz RRROJAKFVWFAED-UHFFFAOYSA-N -1 0 374.418 2.885 20 30 FFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588644429 1080136663 /nfs/dbraw/zinc/13/66/63/1080136663.db2.gz WCBGCVYMKTYYRS-RRQGHBQHSA-N -1 0 356.422 2.598 20 30 FFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C[C@H]1CCCCO1 ZINC001588680725 1080152014 /nfs/dbraw/zinc/15/20/14/1080152014.db2.gz GHYDDFYVWIYRSJ-HUUCEWRRSA-N -1 0 362.474 2.513 20 30 FFEDRM C=CCn1c(-c2coc(-c3nn[nH]n3)c2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001588703944 1080162344 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MUINSLXOPZCMNK-UHFFFAOYSA-N -1 0 354.353 2.710 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccnn2CC2CCC2)o1 ZINC001588781195 1080193758 /nfs/dbraw/zinc/19/37/58/1080193758.db2.gz KVDSKEDOHOQORB-UHFFFAOYSA-N -1 0 369.433 2.811 20 30 FFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588781897 1080193795 /nfs/dbraw/zinc/19/37/95/1080193795.db2.gz KXFKBUOKBYEULQ-HNNXBMFYSA-N -1 0 353.440 2.651 20 30 FFEDRM C=CCCC[C@@H](C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1ccccc1 ZINC001588782504 1080195111 /nfs/dbraw/zinc/19/51/11/1080195111.db2.gz FYVJVWFOGRTCLV-UZLBHIALSA-N -1 0 356.422 2.959 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)C(=O)[O-] ZINC001588790037 1080197931 /nfs/dbraw/zinc/19/79/31/1080197931.db2.gz PALLSFGVCJBCKS-KGLIPLIRSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001588790344 1080198004 /nfs/dbraw/zinc/19/80/04/1080198004.db2.gz VOKMAZSGRIXAMH-LSDHHAIUSA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)C(=O)[O-] ZINC001588792562 1080198690 /nfs/dbraw/zinc/19/86/90/1080198690.db2.gz AYONPHXZUGVGKK-MRXNPFEDSA-N -1 0 365.451 2.552 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588793862 1080198784 /nfs/dbraw/zinc/19/87/84/1080198784.db2.gz DQAOWAHDTBXCTK-BZIRYSOJSA-N -1 0 366.458 2.606 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001588794299 1080199880 /nfs/dbraw/zinc/19/98/80/1080199880.db2.gz QIHMDFPCJCVGGF-KGLIPLIRSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001588794377 1080199944 /nfs/dbraw/zinc/19/99/44/1080199944.db2.gz SABBJPXGAINYLW-RDBSUJKOSA-N -1 0 354.447 2.558 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001588798282 1080200228 /nfs/dbraw/zinc/20/02/28/1080200228.db2.gz AHLFLVMRCBUKNB-NSHDSACASA-N -1 0 351.346 2.793 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588798359 1080201428 /nfs/dbraw/zinc/20/14/28/1080201428.db2.gz BWYOLTYPJROFBA-GFCCVEGCSA-N -1 0 367.345 2.673 20 30 FFEDRM C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588805645 1080203998 /nfs/dbraw/zinc/20/39/98/1080203998.db2.gz JBRBXTLZQDQSDS-CQSZACIVSA-N -1 0 371.397 2.730 20 30 FFEDRM C=CCCOCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588813088 1080204762 /nfs/dbraw/zinc/20/47/62/1080204762.db2.gz IHHZUPDQBNMKHJ-JKSUJKDBSA-N -1 0 366.845 2.742 20 30 FFEDRM C=CCCOCC(=O)N[C@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588810448 1080204873 /nfs/dbraw/zinc/20/48/73/1080204873.db2.gz QVQLZBXBVTWXDP-MRXNPFEDSA-N -1 0 370.243 2.848 20 30 FFEDRM C=CCN(CC=C)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001588825098 1080208325 /nfs/dbraw/zinc/20/83/25/1080208325.db2.gz ADVRWOKFQGSCFS-UHFFFAOYSA-N -1 0 350.396 2.976 20 30 FFEDRM C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588823978 1080208396 /nfs/dbraw/zinc/20/83/96/1080208396.db2.gz JBWGWQYCTWQZHK-UHFFFAOYSA-N -1 0 365.373 2.788 20 30 FFEDRM C=CCN(C[C@@H]1[C@@H](C(=O)[O-])C1(F)F)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588823981 1080208499 /nfs/dbraw/zinc/20/84/99/1080208499.db2.gz JERHVZCMGJVADK-OAGGEKHMSA-N -1 0 367.392 2.615 20 30 FFEDRM C=CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)[C@H](C)COC ZINC001588824043 1080208777 /nfs/dbraw/zinc/20/87/77/1080208777.db2.gz MXPILYHNMMKBFY-GFCCVEGCSA-N -1 0 366.483 2.787 20 30 FFEDRM C=CCN1CC[C@H](OC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1=O ZINC001588839831 1080214123 /nfs/dbraw/zinc/21/41/23/1080214123.db2.gz WUZVGZMINBTGLZ-SFHVURJKSA-N -1 0 365.385 2.996 20 30 FFEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2cc(OC)ccc2C(=O)[O-])c1 ZINC001588873011 1080224123 /nfs/dbraw/zinc/22/41/23/1080224123.db2.gz ZKFSKXPREWANEU-UHFFFAOYSA-N -1 0 370.361 2.535 20 30 FFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001588875086 1080226142 /nfs/dbraw/zinc/22/61/42/1080226142.db2.gz VDFIBNRHVIXNJV-UHFFFAOYSA-N -1 0 369.299 2.954 20 30 FFEDRM C=CCOc1ccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cc1OC ZINC001588874917 1080226610 /nfs/dbraw/zinc/22/66/10/1080226610.db2.gz KQBVNWFPYCUWLT-GOSISDBHSA-N -1 0 371.389 2.522 20 30 FFEDRM C=CCSc1ccccc1NC(=O)COC(=O)c1ccncc1C(=O)[O-] ZINC001588882372 1080231487 /nfs/dbraw/zinc/23/14/87/1080231487.db2.gz PONVHZPQYGQYRD-UHFFFAOYSA-N -1 0 372.402 2.853 20 30 FFEDRM C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588889316 1080237536 /nfs/dbraw/zinc/23/75/36/1080237536.db2.gz PVZPCYIDIQQIHY-DLBZAZTESA-N -1 0 363.421 2.550 20 30 FFEDRM C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588889864 1080237626 /nfs/dbraw/zinc/23/76/26/1080237626.db2.gz GBAAFRQCABQWAH-AWEZNQCLSA-N -1 0 365.437 2.924 20 30 FFEDRM C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588889444 1080237668 /nfs/dbraw/zinc/23/76/68/1080237668.db2.gz VEGOXCYAHFTZPY-WMLDXEAASA-N -1 0 365.437 2.744 20 30 FFEDRM C=CCn1c([C@@H](OC)C2CC2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588895680 1080245192 /nfs/dbraw/zinc/24/51/92/1080245192.db2.gz LADXCPCIYSTDJX-KRWDZBQOSA-N -1 0 368.437 2.823 20 30 FFEDRM C=CCn1c(CC(F)(F)F)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588898210 1080247705 /nfs/dbraw/zinc/24/77/05/1080247705.db2.gz TUDWYCHQYYBXGU-UHFFFAOYSA-N -1 0 366.343 2.830 20 30 FFEDRM C=CCn1c(Cc2csc(C)c2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588903997 1080253536 /nfs/dbraw/zinc/25/35/36/1080253536.db2.gz CSMSJGJBFXMHAF-IUODEOHRSA-N -1 0 360.483 2.972 20 30 FFEDRM C=CCn1c2ccccc2nc1SCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001588907150 1080256153 /nfs/dbraw/zinc/25/61/53/1080256153.db2.gz DAOJRORBYQSJCP-CQSZACIVSA-N -1 0 361.467 2.930 20 30 FFEDRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1C1CC1 ZINC001588907805 1080256963 /nfs/dbraw/zinc/25/69/63/1080256963.db2.gz YOVVOWQTMMTLPF-UHFFFAOYSA-N -1 0 358.423 2.771 20 30 FFEDRM C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1ncc(C(=O)[O-])cn1 ZINC001588910435 1080257818 /nfs/dbraw/zinc/25/78/18/1080257818.db2.gz YGIWJRARSNUIOT-UHFFFAOYSA-N -1 0 374.809 2.875 20 30 FFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588914384 1080261534 /nfs/dbraw/zinc/26/15/34/1080261534.db2.gz UVRVQHJQVIMLDE-PBHICJAKSA-N -1 0 359.426 2.840 20 30 FFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001588917268 1080263673 /nfs/dbraw/zinc/26/36/73/1080263673.db2.gz SXNZLJOVAJNHCM-CABCVRRESA-N -1 0 350.440 2.860 20 30 FFEDRM C[C@@H](CC(=O)[O-])NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001588993839 1080296926 /nfs/dbraw/zinc/29/69/26/1080296926.db2.gz TZKKJZGAALLGQM-LBPRGKRZSA-N -1 0 363.845 2.798 20 30 FFEDRM CC(=O)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C)nc1C ZINC001589267628 1080454939 /nfs/dbraw/zinc/45/49/39/1080454939.db2.gz GGEYFTLIKNCWEO-UHFFFAOYSA-N -1 0 352.346 2.828 20 30 FFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC001589274457 1080458820 /nfs/dbraw/zinc/45/88/20/1080458820.db2.gz FYWBMVMVCRASQW-UKRRQHHQSA-N -1 0 368.389 2.913 20 30 FFEDRM C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001589330448 1080485912 /nfs/dbraw/zinc/48/59/12/1080485912.db2.gz FTWJETSBBFWPQI-LBPRGKRZSA-N -1 0 358.419 2.851 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001589335688 1080487710 /nfs/dbraw/zinc/48/77/10/1080487710.db2.gz SUFNZXUNUBSOMB-GFCCVEGCSA-N -1 0 371.349 2.961 20 30 FFEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)n1ccc(C(F)(F)F)n1 ZINC001589540799 1080593591 /nfs/dbraw/zinc/59/35/91/1080593591.db2.gz RLFJJBWOXDFLRJ-TVQRCGJNSA-N -1 0 367.283 2.704 20 30 FFEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)N1CCc2ccccc21 ZINC001589540586 1080593645 /nfs/dbraw/zinc/59/36/45/1080593645.db2.gz MCZOGJXBBVLWTJ-UGSOOPFHSA-N -1 0 350.374 2.678 20 30 FFEDRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC001589541056 1080593925 /nfs/dbraw/zinc/59/39/25/1080593925.db2.gz XRAFABZGWMKNMC-PIGZYNQJSA-N -1 0 353.330 2.760 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001589558295 1080604528 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20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)cc1C#N ZINC000331966502 258207999 /nfs/dbraw/zinc/20/79/99/258207999.db2.gz QZYOAGAWGNOILX-XHDPSFHLSA-N -1 0 354.435 2.999 20 30 FFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000387833454 512893947 /nfs/dbraw/zinc/89/39/47/512893947.db2.gz ZTNDRMLDVSQEBS-UHFFFAOYSA-N -1 0 357.737 2.620 20 30 FFEDRM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)nc1 ZINC000410335917 512241480 /nfs/dbraw/zinc/24/14/80/512241480.db2.gz YIFRFUQENWCOJL-UHFFFAOYSA-N -1 0 370.356 2.839 20 30 FFEDRM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007379155 506558447 /nfs/dbraw/zinc/55/84/47/506558447.db2.gz OFZFQGJLTDKVHY-UHFFFAOYSA-N -1 0 350.783 2.799 20 30 FFEDRM Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1C(=O)N1CCCC1 ZINC000055593556 506791311 /nfs/dbraw/zinc/79/13/11/506791311.db2.gz QGDNQUIBKRKAKR-UHFFFAOYSA-N -1 0 369.446 2.904 20 30 FFEDRM CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000055633702 506806210 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WLWHEMKWFZHKNT-IBGZPJMESA-N -1 0 353.397 2.906 20 30 FFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000833072113 601839415 /nfs/dbraw/zinc/83/94/15/601839415.db2.gz VPUPVPMLZFTWKG-UHFFFAOYSA-N -1 0 355.730 2.817 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000825702648 601859356 /nfs/dbraw/zinc/85/93/56/601859356.db2.gz RFXZZPSLCGTXHC-UHFFFAOYSA-N -1 0 351.355 2.890 20 30 FFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738800351 601894803 /nfs/dbraw/zinc/89/48/03/601894803.db2.gz MRAHIZGFGITRNZ-NVXWUHKLSA-N -1 0 359.426 2.562 20 30 FFEDRM COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000831861141 601928321 /nfs/dbraw/zinc/92/83/21/601928321.db2.gz OJIBFEPTJWPNRD-UHFFFAOYSA-N -1 0 368.389 2.740 20 30 FFEDRM CN(C(=O)[O-])[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000739585859 601975286 /nfs/dbraw/zinc/97/52/86/601975286.db2.gz QNQZUZKKQRKYSC-HNNXBMFYSA-N -1 0 368.437 2.812 20 30 FFEDRM CC(C)Oc1ccc(NC(=S)NN=C2CCN(C(=O)[O-])CC2)cc1 ZINC000736493716 601975561 /nfs/dbraw/zinc/97/55/61/601975561.db2.gz BASQTIFPWKXGEV-UHFFFAOYSA-N -1 0 350.444 2.890 20 30 FFEDRM N#Cc1ccc(CN(C(=O)NCC2CCN(C(=O)[O-])CC2)C2CC2)cc1 ZINC000740313702 602078760 /nfs/dbraw/zinc/07/87/60/602078760.db2.gz VZBASWWLHQQUEP-UHFFFAOYSA-N -1 0 356.426 2.622 20 30 FFEDRM Cc1nn(CC(F)(F)F)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833015922 602106508 /nfs/dbraw/zinc/10/65/08/602106508.db2.gz NMCZYIYIOJBIHY-ZDUSSCGKSA-N -1 0 367.283 2.608 20 30 FFEDRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000739227732 602114922 /nfs/dbraw/zinc/11/49/22/602114922.db2.gz IZNOFOFRMJWYIL-SMDDNHRTSA-N -1 0 356.344 2.855 20 30 FFEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000739292418 602357846 /nfs/dbraw/zinc/35/78/46/602357846.db2.gz ULUKOASDJFVMAO-LJQANCHMSA-N -1 0 359.426 2.754 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740273795 602369294 /nfs/dbraw/zinc/36/92/94/602369294.db2.gz GBOZNOGPPHJAGE-UHFFFAOYSA-N -1 0 370.409 2.712 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN(CCC)[C@H]2CCN(C(=O)[O-])C2)c1=S ZINC000738503079 602526699 /nfs/dbraw/zinc/52/66/99/602526699.db2.gz MJNZLIQUERWWMX-AWEZNQCLSA-N -1 0 365.503 2.899 20 30 FFEDRM N#Cc1cccc(NC(=O)CNc2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000740323315 602550081 /nfs/dbraw/zinc/55/00/81/602550081.db2.gz OHHICKFCGNMFNI-UHFFFAOYSA-N -1 0 350.378 2.645 20 30 FFEDRM CCN(CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000739420320 602588294 /nfs/dbraw/zinc/58/82/94/602588294.db2.gz AKNBNLPJXSLKKQ-UHFFFAOYSA-N -1 0 368.393 2.865 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000738801941 602633037 /nfs/dbraw/zinc/63/30/37/602633037.db2.gz XMAFBWBWFVZJEF-QAPCUYQASA-N -1 0 373.453 2.858 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)cc1Cl ZINC000740321994 602656868 /nfs/dbraw/zinc/65/68/68/602656868.db2.gz XFHNFWNKOPAIIC-UHFFFAOYSA-N -1 0 365.798 2.780 20 30 FFEDRM N#Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c(F)c1 ZINC000740315660 602669389 /nfs/dbraw/zinc/66/93/89/602669389.db2.gz NNZGSADSEHZSHP-KRWDZBQOSA-N -1 0 374.416 2.761 20 30 FFEDRM N#Cc1ccc(CNC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)c(F)c1 ZINC000740315663 602669495 /nfs/dbraw/zinc/66/94/95/602669495.db2.gz NNZGSADSEHZSHP-QGZVFWFLSA-N -1 0 374.416 2.761 20 30 FFEDRM N#C[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000738423441 602727789 /nfs/dbraw/zinc/72/77/89/602727789.db2.gz RSPZDXYNRYZMHX-CYBMUJFWSA-N -1 0 355.316 2.776 20 30 FFEDRM N#C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1cccc(Br)c1 ZINC000831070848 602785485 /nfs/dbraw/zinc/78/54/85/602785485.db2.gz SUXAZLOTCAFJCE-ZDUSSCGKSA-N -1 0 366.215 2.520 20 30 FFEDRM C[C@@H]1CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@@H](C)N1C(=O)[O-] ZINC000739178883 602830766 /nfs/dbraw/zinc/83/07/66/602830766.db2.gz SRBPBLPHOWSEJA-UPJWGTAASA-N -1 0 372.450 2.545 20 30 FFEDRM N#C[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1Br ZINC000738422978 602850132 /nfs/dbraw/zinc/85/01/32/602850132.db2.gz OKDUWVFUEXAIMB-CYBMUJFWSA-N -1 0 366.215 2.520 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2CCN(C(=O)[O-])CC2)c1 ZINC000739209520 603038769 /nfs/dbraw/zinc/03/87/69/603038769.db2.gz PBSRSXNNKVOSNV-MRXNPFEDSA-N -1 0 374.441 2.557 20 30 FFEDRM C=CCn1c(=O)c2ccc(Cl)cc2nc1SC1CN(C(=O)[O-])C1 ZINC000738503981 603068948 /nfs/dbraw/zinc/06/89/48/603068948.db2.gz WWMGVYKPNJUCFP-UHFFFAOYSA-N -1 0 351.815 2.690 20 30 FFEDRM COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739766570 603082579 /nfs/dbraw/zinc/08/25/79/603082579.db2.gz SHKLWDMYOYWZFQ-MSOLQXFVSA-N -1 0 371.437 2.627 20 30 FFEDRM COC(=O)[C@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccc(C#N)cc1 ZINC000739767707 603088294 /nfs/dbraw/zinc/08/82/94/603088294.db2.gz ZFQCHKZVERQHBA-GOSISDBHSA-N -1 0 365.389 2.921 20 30 FFEDRM C[C@H](NC(=O)[O-])c1ccc(NCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000739015916 603104581 /nfs/dbraw/zinc/10/45/81/603104581.db2.gz DWCMYZDLCUOBNX-ZDUSSCGKSA-N -1 0 352.394 2.615 20 30 FFEDRM Cc1nc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)sc1SCC#N ZINC000740223985 603172041 /nfs/dbraw/zinc/17/20/41/603172041.db2.gz WXGMHMKBPJAZIZ-ZJUUUORDSA-N -1 0 354.457 2.832 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCN(C(=O)[O-])C3)cn2)cc1 ZINC000740321379 603221664 /nfs/dbraw/zinc/22/16/64/603221664.db2.gz IYOALHBGUXGPAY-CYBMUJFWSA-N -1 0 352.350 2.684 20 30 FFEDRM CN(C[C@@H]1CCCN1C(=S)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000828218030 603240225 /nfs/dbraw/zinc/24/02/25/603240225.db2.gz DKEPMOUOAIGJCA-LBPRGKRZSA-N -1 0 352.847 2.983 20 30 FFEDRM COc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)ccc1NC(=O)[O-] ZINC000739870025 603261388 /nfs/dbraw/zinc/26/13/88/603261388.db2.gz RTTLBWGYFGHRTK-UHFFFAOYSA-N -1 0 361.379 2.766 20 30 FFEDRM N#Cc1cccc(CNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000740320364 603290460 /nfs/dbraw/zinc/29/04/60/603290460.db2.gz NJYIRQSJWUIZKI-UHFFFAOYSA-N -1 0 350.378 2.916 20 30 FFEDRM O=C([O-])NC[C@H]1CCCC1N=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000740619100 603319875 /nfs/dbraw/zinc/31/98/75/603319875.db2.gz BNDJTXXIVIARRY-GFCCVEGCSA-N -1 0 365.397 2.651 20 30 FFEDRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000738931873 603390515 /nfs/dbraw/zinc/39/05/15/603390515.db2.gz FSJCYQYOKZGKBZ-CQSZACIVSA-N -1 0 367.405 2.865 20 30 FFEDRM N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(C(=O)[O-])C3)c2)cc1 ZINC000740321202 603391464 /nfs/dbraw/zinc/39/14/64/603391464.db2.gz AFLAREIDKDYWTH-KRWDZBQOSA-N -1 0 365.389 2.619 20 30 FFEDRM C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823655815 603418421 /nfs/dbraw/zinc/41/84/21/603418421.db2.gz WGHHJDLSLGIUBK-CRAIPNDOSA-N -1 0 366.421 2.969 20 30 FFEDRM CCN(CC1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000827088954 603539335 /nfs/dbraw/zinc/53/93/35/603539335.db2.gz CJHJBEOTTPJIEK-CQSZACIVSA-N -1 0 358.442 2.597 20 30 FFEDRM C[C@H](CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1cccc(C(F)(F)F)c1 ZINC000824589342 603595591 /nfs/dbraw/zinc/59/55/91/603595591.db2.gz BSGWBLAHFNUHSK-BXUZGUMPSA-N -1 0 369.343 2.913 20 30 FFEDRM C=CCNC(=O)Nc1ccc(NC(=O)C2(CNC(=O)[O-])CCCC2)cc1 ZINC000823510751 603622216 /nfs/dbraw/zinc/62/22/16/603622216.db2.gz ISPQKYNMYFKWIE-UHFFFAOYSA-N -1 0 360.414 2.761 20 30 FFEDRM C=CCOc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cc1OC ZINC000823516836 603693945 /nfs/dbraw/zinc/69/39/45/603693945.db2.gz WPGBPVVVXUADHR-HIFRSBDPSA-N -1 0 362.426 2.768 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831070617 603698116 /nfs/dbraw/zinc/69/81/16/603698116.db2.gz OWENUNHIOKPWFQ-MHORFTMASA-N -1 0 370.453 2.904 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(CNC(=O)[O-])n1 ZINC000831070671 603708500 /nfs/dbraw/zinc/70/85/00/603708500.db2.gz PSGXZFWYKKHGKG-UKRRQHHQSA-N -1 0 370.434 2.823 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831070780 603711263 /nfs/dbraw/zinc/71/12/63/603711263.db2.gz RXLOPXMQRPZVSG-CVEARBPZSA-N -1 0 353.378 2.959 20 30 FFEDRM N#Cc1ccc(F)c(CNC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000831132307 603892679 /nfs/dbraw/zinc/89/26/79/603892679.db2.gz TZYAOGWNTHXKKB-INIZCTEOSA-N -1 0 356.357 2.505 20 30 FFEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000831122280 603953968 /nfs/dbraw/zinc/95/39/68/603953968.db2.gz CBIUNBFUSCIIFX-KGLIPLIRSA-N -1 0 369.343 2.885 20 30 FFEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])c1C ZINC000830506131 604097068 /nfs/dbraw/zinc/09/70/68/604097068.db2.gz SUTIEQZHDHPAPK-KRWDZBQOSA-N -1 0 372.469 2.624 20 30 FFEDRM C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000824840946 604161399 /nfs/dbraw/zinc/16/13/99/604161399.db2.gz OEZGGCUGXOZTIZ-JOYOIKCWSA-N -1 0 359.304 2.512 20 30 FFEDRM N#CC(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1nc(-c2ccncc2)cs1 ZINC000831064042 604240865 /nfs/dbraw/zinc/24/08/65/604240865.db2.gz BNWOXHOJZFYWPR-FRRDWIJNSA-N -1 0 356.407 2.818 20 30 FFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827596212 604253411 /nfs/dbraw/zinc/25/34/11/604253411.db2.gz 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FFEDRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)C2C(C)(C)C2(C)C)s1 ZINC000080285993 728325026 /nfs/dbraw/zinc/32/50/26/728325026.db2.gz BOKWXZQXNRDVIJ-UHFFFAOYSA-N -1 0 372.512 2.754 20 30 FFEDRM C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791346 728414316 /nfs/dbraw/zinc/41/43/16/728414316.db2.gz JXVHBVVICVQHSS-SNVBAGLBSA-N -1 0 360.863 2.677 20 30 FFEDRM CC(C)Cn1ncc2cc(C(=O)[N-]S(=O)(=O)C3CCCC3)cnc21 ZINC000086054912 728430926 /nfs/dbraw/zinc/43/09/26/728430926.db2.gz FIUJEIFDONYDNC-UHFFFAOYSA-N -1 0 350.444 2.664 20 30 FFEDRM COc1ccc(Cn2cc(C(=O)[N-]S(=O)(=O)C3CCCC3)cn2)cc1 ZINC000086056611 728431227 /nfs/dbraw/zinc/43/12/27/728431227.db2.gz WNFTVDRVKSYZTN-UHFFFAOYSA-N -1 0 363.439 2.517 20 30 FFEDRM O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000086056156 728431263 /nfs/dbraw/zinc/43/12/63/728431263.db2.gz IGPZVIDVPKTQJK-OAHLLOKOSA-N -1 0 364.467 2.768 20 30 FFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)cc1 ZINC000092313625 728466406 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CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000121767314 728638718 /nfs/dbraw/zinc/63/87/18/728638718.db2.gz GRADMXLZNIKIPJ-UHFFFAOYSA-N -1 0 352.419 2.973 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(-c2ccccc2F)n1 ZINC000122541437 728648569 /nfs/dbraw/zinc/64/85/69/728648569.db2.gz WIOATJGHQFCKAH-NSHDSACASA-N -1 0 354.366 2.888 20 30 FFEDRM CC1=C(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000747196292 735542826 /nfs/dbraw/zinc/54/28/26/735542826.db2.gz DIZFOMRDFPRBRQ-UHFFFAOYSA-N -1 0 358.341 2.882 20 30 FFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000123723915 728662122 /nfs/dbraw/zinc/66/21/22/728662122.db2.gz QEGZONFNHRLPBG-UHFFFAOYSA-N -1 0 360.822 2.819 20 30 FFEDRM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)N3CCCC3)cs2)cc1 ZINC000124757312 728674162 /nfs/dbraw/zinc/67/41/62/728674162.db2.gz LRIFVLNEAAZGME-AWEZNQCLSA-N -1 0 355.419 2.764 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccn(-c2cccc(Cl)c2)n1 ZINC000125738254 728686931 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FFEDRM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130760783 728720626 /nfs/dbraw/zinc/72/06/26/728720626.db2.gz HJYBFVZHSQEZAZ-LLVKDONJSA-N -1 0 359.407 2.749 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2Br)c1C ZINC000133509214 728727120 /nfs/dbraw/zinc/72/71/20/728727120.db2.gz FEJSJWFROHNEKY-CYBMUJFWSA-N -1 0 374.238 2.925 20 30 FFEDRM CCC(CC)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151723372 728746558 /nfs/dbraw/zinc/74/65/58/728746558.db2.gz HLGSUTGPLVOOED-UHFFFAOYSA-N -1 0 359.245 2.562 20 30 FFEDRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151726025 728746576 /nfs/dbraw/zinc/74/65/76/728746576.db2.gz URERMDJBSIXPPM-JTQLQIEISA-N -1 0 373.272 2.952 20 30 FFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)c2ccsc2)c1 ZINC000151721192 728746595 /nfs/dbraw/zinc/74/65/95/728746595.db2.gz LFSZJHAAUHIPAQ-UHFFFAOYSA-N -1 0 371.237 2.501 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171364879 729003109 /nfs/dbraw/zinc/00/31/09/729003109.db2.gz FFNMLCZBJZIRJQ-NSHDSACASA-N -1 0 363.826 2.549 20 30 FFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000173889434 729055981 /nfs/dbraw/zinc/05/59/81/729055981.db2.gz HWWUVUCRVSBRSZ-QGZVFWFLSA-N -1 0 372.471 2.535 20 30 FFEDRM C[C@H](OC1CCCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000177807750 729146656 /nfs/dbraw/zinc/14/66/56/729146656.db2.gz BZHFEFVUYJOPHN-AWEZNQCLSA-N -1 0 364.467 2.632 20 30 FFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000181297678 729240931 /nfs/dbraw/zinc/24/09/31/729240931.db2.gz XAIJKKGGTBFKJP-NSHDSACASA-N -1 0 362.373 2.949 20 30 FFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000778900953 738420143 /nfs/dbraw/zinc/42/01/43/738420143.db2.gz HFINIQSJWVTYFW-UHFFFAOYSA-N -1 0 351.419 2.704 20 30 FFEDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000183129228 729296013 /nfs/dbraw/zinc/29/60/13/729296013.db2.gz IDTJVZSQQMVINY-LBPRGKRZSA-N -1 0 361.379 2.995 20 30 FFEDRM C#C[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000185372662 729348122 /nfs/dbraw/zinc/34/81/22/729348122.db2.gz VEFOUEJGJZKZPB-CYBMUJFWSA-N -1 0 360.410 2.686 20 30 FFEDRM Cc1cccc(CSCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000195495576 729540087 /nfs/dbraw/zinc/54/00/87/729540087.db2.gz LNFMLJDRONMJER-UHFFFAOYSA-N -1 0 374.487 2.746 20 30 FFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(F)cc2Br)C(=O)O1 ZINC000255155311 729633433 /nfs/dbraw/zinc/63/34/33/729633433.db2.gz VAFIGWXGEDTNHJ-PKXJPQMGSA-N -1 0 353.143 2.816 20 30 FFEDRM C=CCC[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)[O-] ZINC000262838675 729672412 /nfs/dbraw/zinc/67/24/12/729672412.db2.gz GRRLDAFMWOQRIN-OAHLLOKOSA-N -1 0 353.365 2.549 20 30 FFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263015112 729676428 /nfs/dbraw/zinc/67/64/28/729676428.db2.gz NKDIKHHTVDVLNS-BXUZGUMPSA-N -1 0 359.344 2.656 20 30 FFEDRM C=CCCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)nn1 ZINC000425247904 729863840 /nfs/dbraw/zinc/86/38/40/729863840.db2.gz ZCOODQZPHMCXFC-ZDUSSCGKSA-N -1 0 366.780 2.593 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc(Cl)s2)CCCC1 ZINC000779313910 738453915 /nfs/dbraw/zinc/45/39/15/738453915.db2.gz CDFVBDXBLKEVRA-GQCTYLIASA-N -1 0 358.872 2.945 20 30 FFEDRM C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779320402 738455429 /nfs/dbraw/zinc/45/54/29/738455429.db2.gz XKLPLHMWLXIRPA-CYBMUJFWSA-N -1 0 352.431 2.534 20 30 FFEDRM C=CCCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC ZINC000856032950 730300075 /nfs/dbraw/zinc/30/00/75/730300075.db2.gz XYHYBOXUWRNFMU-HNNXBMFYSA-N -1 0 350.415 2.885 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)COCc2cccc(C)c2)n1 ZINC000856964718 730369217 /nfs/dbraw/zinc/36/92/17/730369217.db2.gz UXGHEIYINDYRKC-OAHLLOKOSA-N -1 0 358.419 2.696 20 30 FFEDRM C#C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1[O-])C1CCOCC1 ZINC000857328399 730391368 /nfs/dbraw/zinc/39/13/68/730391368.db2.gz ALWBBJOHHDIVTG-CYBMUJFWSA-N -1 0 372.646 2.966 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])c2ccc(OCc3nc(C)no3)nc2)n1 ZINC000860450600 730513365 /nfs/dbraw/zinc/51/33/65/730513365.db2.gz VNTAURLXGQYWDU-GFCCVEGCSA-N -1 0 355.379 2.607 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000644998497 730518002 /nfs/dbraw/zinc/51/80/02/730518002.db2.gz UNEVCHZAWBYEIP-GJZGRUSLSA-N -1 0 358.467 2.572 20 30 FFEDRM N#CC(C(=O)COCC(F)F)=C([O-])c1sccc1Br ZINC000860853799 730553921 /nfs/dbraw/zinc/55/39/21/730553921.db2.gz OAGKDNZHCMZGOI-LURJTMIESA-N -1 0 352.156 2.684 20 30 FFEDRM N#CC1CCC(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC000861525317 730619475 /nfs/dbraw/zinc/61/94/75/730619475.db2.gz SKUCCNOIIATREK-UHFFFAOYSA-N -1 0 357.332 2.518 20 30 FFEDRM C=CC[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)C1 ZINC000862543149 730708160 /nfs/dbraw/zinc/70/81/60/730708160.db2.gz GHBPAVYYPVTUKR-NSHDSACASA-N -1 0 362.373 2.986 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000864183220 730828696 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354.790 2.958 20 30 FFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000864348807 730840791 /nfs/dbraw/zinc/84/07/91/730840791.db2.gz PQUATSORPGOTKE-NACCWKTGSA-N -1 0 354.790 2.958 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCC1(c2ccccc2OC)CC1)C(=O)[O-] ZINC000864522686 730856443 /nfs/dbraw/zinc/85/64/43/730856443.db2.gz XZTHXZUTQZPLCP-CYBMUJFWSA-N -1 0 352.818 2.622 20 30 FFEDRM CC(C)c1nnc(NC(=O)CCC(=O)Nc2cc(C#N)ccc2[O-])s1 ZINC000769508290 737537191 /nfs/dbraw/zinc/53/71/91/737537191.db2.gz WJJLQKUPPGHIMW-UHFFFAOYSA-N -1 0 359.411 2.596 20 30 FFEDRM C=CCCOCCNS(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000650696603 731021094 /nfs/dbraw/zinc/02/10/94/731021094.db2.gz NTHZJRMOVJXETL-UHFFFAOYSA-N -1 0 361.485 2.615 20 30 FFEDRM CO[C@@H]1CCn2cc(C([O-])=C(C#N)c3nc4ccccc4s3)nc2C1 ZINC000870123820 731472176 /nfs/dbraw/zinc/47/21/76/731472176.db2.gz RKMKWTLJNOQVFU-VXGBXAGGSA-N -1 0 352.419 2.944 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CCCC1 ZINC000870273273 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FFEDRM C#C[C@@H](CC)NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000754367304 736151967 /nfs/dbraw/zinc/15/19/67/736151967.db2.gz QFLDHPFDKACGMG-AWEZNQCLSA-N -1 0 357.479 2.774 20 30 FFEDRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000754773753 736196385 /nfs/dbraw/zinc/19/63/85/736196385.db2.gz ZVGVKDTUQWCRTD-UHFFFAOYSA-N -1 0 359.245 2.562 20 30 FFEDRM CCCCN(O)C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000904212884 736234264 /nfs/dbraw/zinc/23/42/64/736234264.db2.gz WOCYZRLGOIHLLK-UHFFFAOYSA-N -1 0 355.441 2.575 20 30 FFEDRM CC(C)N(CCC#N)C(=O)c1cccc(I)c1[O-] ZINC000755206938 736241680 /nfs/dbraw/zinc/24/16/80/736241680.db2.gz COFQHRYHKQJGHO-UHFFFAOYSA-N -1 0 358.179 2.761 20 30 FFEDRM O=S(=O)([N-]c1nccs1)c1ccc(N=NCC2CCOCC2)cc1 ZINC000755764991 736277334 /nfs/dbraw/zinc/27/73/34/736277334.db2.gz VMVXEDYEYLMVKT-UHFFFAOYSA-N -1 0 366.468 2.768 20 30 FFEDRM CCc1noc(CC)c1CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000756473475 736334545 /nfs/dbraw/zinc/33/45/45/736334545.db2.gz 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ZINC001599813119 988373883 /nfs/dbraw/zinc/37/38/83/988373883.db2.gz NPISDUCNHOBMTR-GBOPCIDUSA-N -1 0 359.451 2.579 20 30 FFEDRM CCCOc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000763011981 988964215 /nfs/dbraw/zinc/96/42/15/988964215.db2.gz IMOBQTUFPXRFCI-UHFFFAOYSA-N -1 0 372.446 2.703 20 30 FFEDRM COc1cc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(OC)cc1O ZINC000763105563 989040444 /nfs/dbraw/zinc/04/04/44/989040444.db2.gz MMKNZDBIQSXOMT-VMPITWQZSA-N -1 0 358.346 2.769 20 30 FFEDRM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(OC)c1OC(C)=O ZINC000916240643 989762416 /nfs/dbraw/zinc/76/24/16/989762416.db2.gz RNWWCBAWEXIWGW-UHFFFAOYSA-N -1 0 358.350 2.773 20 30 FFEDRM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=NNc1nnc(C)c(=O)[n-]1 ZINC000916282593 989771716 /nfs/dbraw/zinc/77/17/16/989771716.db2.gz JCWAJCHAKUOWQK-UHFFFAOYSA-N -1 0 351.414 2.502 20 30 FFEDRM COc1cc(C=NN2C(=S)N=NC2c2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000916308020 989775107 /nfs/dbraw/zinc/77/51/07/989775107.db2.gz YOEGMIBQHMVCJS-UHFFFAOYSA-N -1 0 371.378 2.738 20 30 FFEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000916747373 989976895 /nfs/dbraw/zinc/97/68/95/989976895.db2.gz ZWLFEHGIKKVPPE-UHFFFAOYSA-N -1 0 368.414 2.939 20 30 FFEDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c2ccccc12 ZINC000916774435 989984497 /nfs/dbraw/zinc/98/44/97/989984497.db2.gz ODJPBFILBPXVOO-UHFFFAOYSA-N -1 0 366.398 2.839 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000916897406 990013290 /nfs/dbraw/zinc/01/32/90/990013290.db2.gz KJLFMFYTEHSDPG-OAHLLOKOSA-N -1 0 371.828 2.692 20 30 FFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc2c1O[C@H](C)C2 ZINC000916893828 990013835 /nfs/dbraw/zinc/01/38/35/990013835.db2.gz IYVDHMAZWMGJOK-MLGOLLRUSA-N -1 0 356.422 2.790 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2C#N)cc1 ZINC000916920065 990028113 /nfs/dbraw/zinc/02/81/13/990028113.db2.gz HLJSYLUIQFUDRD-LJQANCHMSA-N -1 0 359.385 2.762 20 30 FFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001590589387 990242220 /nfs/dbraw/zinc/24/22/20/990242220.db2.gz YDHWINDTBPLWCE-HNNXBMFYSA-N -1 0 372.347 2.986 20 30 FFEDRM CC(C)(C)n1cncc1[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001590603382 990266198 /nfs/dbraw/zinc/26/61/98/990266198.db2.gz XSBDNDFTJWTOFP-CYBMUJFWSA-N -1 0 353.426 2.987 20 30 FFEDRM CC(C)(CC#N)CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001590614904 990284339 /nfs/dbraw/zinc/28/43/39/990284339.db2.gz AOLGGUBVEYUMSR-UHFFFAOYSA-N -1 0 354.410 2.874 20 30 FFEDRM CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061431 990332982 /nfs/dbraw/zinc/33/29/82/990332982.db2.gz GBTXPYTVCOVGEW-TXEJJXNPSA-N -1 0 373.800 2.724 20 30 FFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N=c2nn[n-]n2C2CC2)cc1 ZINC001129150918 990441136 /nfs/dbraw/zinc/44/11/36/990441136.db2.gz PLOKHFUGFFFCFS-UHFFFAOYSA-N -1 0 360.377 2.655 20 30 FFEDRM CC(C)(CNC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)C(=O)[O-] ZINC001590738536 990533966 /nfs/dbraw/zinc/53/39/66/990533966.db2.gz XEFDRTWMXOYWLK-UHFFFAOYSA-N -1 0 354.366 2.978 20 30 FFEDRM N#C[C@@]1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC2CCC1CC2 ZINC000923086125 990842746 /nfs/dbraw/zinc/84/27/46/990842746.db2.gz HPNQUTRIYRVWOH-LOPFGIASSA-N -1 0 352.434 2.961 20 30 FFEDRM C#CCOc1ccccc1NC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000187166512 991151364 /nfs/dbraw/zinc/15/13/64/991151364.db2.gz SWFZARYGXUODLD-UHFFFAOYSA-N -1 0 363.373 2.851 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000175096750 991154905 /nfs/dbraw/zinc/15/49/05/991154905.db2.gz PERQOCMPRSPGRE-LBPRGKRZSA-N -1 0 360.364 2.779 20 30 FFEDRM COCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000175103710 991160318 /nfs/dbraw/zinc/16/03/18/991160318.db2.gz MWTWASPMZRXKHZ-SFHVURJKSA-N -1 0 358.438 2.873 20 30 FFEDRM CN(C)c1cc(C#N)cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC001598288122 991193071 /nfs/dbraw/zinc/19/30/71/991193071.db2.gz QFANYTKBQRJISO-UHFFFAOYSA-N -1 0 358.423 2.740 20 30 FFEDRM COc1ccccc1[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC001599705377 991284448 /nfs/dbraw/zinc/28/44/48/991284448.db2.gz IFQSXDZCDHWXBC-RTBURBONSA-N -1 0 352.390 2.766 20 30 FFEDRM O=C1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CN1c1c(F)cccc1F ZINC000179721562 991324391 /nfs/dbraw/zinc/32/43/91/991324391.db2.gz TXWZLQARKAKJJV-FEQLDZPWSA-N -1 0 361.304 2.803 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN2c2ncnc3sccc32)c1 ZINC000179742581 991338732 /nfs/dbraw/zinc/33/87/32/991338732.db2.gz DJKVQHIUDOMZMN-AWEZNQCLSA-N -1 0 365.418 2.876 20 30 FFEDRM COc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)c(C)nc2c1 ZINC000179984970 991390598 /nfs/dbraw/zinc/39/05/98/991390598.db2.gz HLXFYEWALSJTCY-KRWDZBQOSA-N -1 0 351.406 2.933 20 30 FFEDRM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(C(=O)[O-])c[nH]1 ZINC001599713112 991405577 /nfs/dbraw/zinc/40/55/77/991405577.db2.gz RAQYJJUVFAAODQ-LLVKDONJSA-N -1 0 374.422 2.544 20 30 FFEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1-c1ccc(C#N)cc1 ZINC000170877114 991451301 /nfs/dbraw/zinc/45/13/01/991451301.db2.gz CYPMGIJGMBETQQ-UHFFFAOYSA-N -1 0 355.361 2.685 20 30 FFEDRM CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001598370105 991529566 /nfs/dbraw/zinc/52/95/66/991529566.db2.gz JGXYGYHZPGBKCI-HOCLYGCPSA-N -1 0 358.419 2.851 20 30 FFEDRM CN(CC(=O)NC1(C#N)CCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598387054 991616908 /nfs/dbraw/zinc/61/69/08/991616908.db2.gz PUWCWWCDJVOPQQ-CQSZACIVSA-N -1 0 370.236 2.613 20 30 FFEDRM CN(Cc1ccc(C(=O)[O-])cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC001598513072 992584414 /nfs/dbraw/zinc/58/44/14/992584414.db2.gz LOTOTWRVTWBFQW-HNNXBMFYSA-N -1 0 355.419 2.555 20 30 FFEDRM CC(C)Cn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C1(C#N)CCCCC1 ZINC001591516401 992682428 /nfs/dbraw/zinc/68/24/28/992682428.db2.gz SJMOPNJOPLAHKH-SFHVURJKSA-N -1 0 363.437 2.663 20 30 FFEDRM N#C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC000880441199 1015836406 /nfs/dbraw/zinc/83/64/06/1015836406.db2.gz RGFIEGIWJASLSH-JOYOIKCWSA-N -1 0 372.322 2.818 20 30 FFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC001599647593 994447334 /nfs/dbraw/zinc/44/73/34/994447334.db2.gz LKHASDDJJRWUDY-ACJLOTCBSA-N -1 0 368.389 2.618 20 30 FFEDRM COc1cccc([C@@H](OC(=O)[C@H](C)Oc2ccccc2C#N)C(=O)[O-])c1 ZINC001599661433 994661788 /nfs/dbraw/zinc/66/17/88/994661788.db2.gz YXIRKZINRCQUPV-YVEFUNNKSA-N -1 0 355.346 2.703 20 30 FFEDRM N#Cc1cnc([N-][C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)nc1 ZINC001170608340 994810115 /nfs/dbraw/zinc/81/01/15/994810115.db2.gz CXSFTZRAYBBHSW-GOSISDBHSA-N -1 0 354.373 2.576 20 30 FFEDRM COc1cccc(CN2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC001599673816 994860576 /nfs/dbraw/zinc/86/05/76/994860576.db2.gz WDFQYFODGDQGPS-HXUWFJFHSA-N -1 0 365.433 2.510 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000810985288 994995052 /nfs/dbraw/zinc/99/50/52/994995052.db2.gz GRYIHDYZPUVPEW-QGZVFWFLSA-N -1 0 374.462 2.505 20 30 FFEDRM NS(=O)(=O)c1ccccc1N=NC1CCCCc2cc(C(=O)[O-])ccc21 ZINC000811649375 995207857 /nfs/dbraw/zinc/20/78/57/995207857.db2.gz KNSYWYUPZHMXCD-UHFFFAOYSA-N -1 0 373.434 2.575 20 30 FFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000747751991 995302194 /nfs/dbraw/zinc/30/21/94/995302194.db2.gz SYAQPFFMVDCBIE-UHFFFAOYSA-N -1 0 365.374 2.957 20 30 FFEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC001593610644 995803496 /nfs/dbraw/zinc/80/34/96/995803496.db2.gz GMSGKANQNZZHCC-GUYCJALGSA-N -1 0 368.389 2.764 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593610781 995804512 /nfs/dbraw/zinc/80/45/12/995804512.db2.gz JMIOEGMXIFVGQT-HXPMCKFVSA-N -1 0 356.353 2.581 20 30 FFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)C1 ZINC001593794416 996511405 /nfs/dbraw/zinc/51/14/05/996511405.db2.gz TVSPPEIPNPVITD-FQEVSTJZSA-N -1 0 364.405 2.502 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCN(c2nnc(CCCCC#N)n2Cc2cccs2)C1 ZINC001593801023 996522404 /nfs/dbraw/zinc/52/24/04/996522404.db2.gz KWYYUSLYTZWLKS-GOSISDBHSA-N -1 0 373.482 2.925 20 30 FFEDRM Cc1cc(COc2ccc(C=NN3C(=S)N=NC3C)cc2)oc1C(=O)[O-] ZINC000729933111 996754509 /nfs/dbraw/zinc/75/45/09/996754509.db2.gz WAYFLJBPZJPGFT-UHFFFAOYSA-N -1 0 372.406 2.936 20 30 FFEDRM CC(C)[C@](C)(C#N)NC(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000824055340 996781227 /nfs/dbraw/zinc/78/12/27/996781227.db2.gz GJPKLRYTOOUBPH-IBGZPJMESA-N -1 0 356.426 2.967 20 30 FFEDRM COCc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001599285126 996962937 /nfs/dbraw/zinc/96/29/37/996962937.db2.gz UEQAYGUSAZSZNH-KRWDZBQOSA-N -1 0 363.373 2.724 20 30 FFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC001599497535 997045637 /nfs/dbraw/zinc/04/56/37/997045637.db2.gz NQVLJLWPKZZNPS-UHFFFAOYSA-N -1 0 369.352 2.994 20 30 FFEDRM CC1(C)Oc2ccsc2[C@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1O ZINC001593982480 997214804 /nfs/dbraw/zinc/21/48/04/997214804.db2.gz PWBOQFQQSILSGT-IJEWVQPXSA-N -1 0 358.419 2.608 20 30 FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C#N)c2C)cc1OC ZINC001599512998 997329344 /nfs/dbraw/zinc/32/93/44/997329344.db2.gz FGEXZFIWWCODQJ-MRXNPFEDSA-N -1 0 368.389 2.830 20 30 FFEDRM COc1cc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001599412218 997443439 /nfs/dbraw/zinc/44/34/39/997443439.db2.gz FDSOFRUYYLZLEW-LBPRGKRZSA-N -1 0 353.378 2.825 20 30 FFEDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C(=O)[O-])C1 ZINC001599105735 997474327 /nfs/dbraw/zinc/47/43/27/997474327.db2.gz BCBMAJCBNPPOQT-ZBINZKHDSA-N -1 0 350.802 2.600 20 30 FFEDRM COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599418867 997558327 /nfs/dbraw/zinc/55/83/27/997558327.db2.gz PKERBBRWVOLFAS-UHFFFAOYSA-N -1 0 357.193 2.833 20 30 FFEDRM N#Cc1nc(NC(=O)C/C=C\c2ccc(Br)cc2)[n-]c1C#N ZINC001143815440 997706732 /nfs/dbraw/zinc/70/67/32/997706732.db2.gz WEGRIJYHZDMWKP-UPHRSURJSA-N -1 0 356.183 2.958 20 30 FFEDRM CCc1cc(C)c(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)o1 ZINC000128827895 1016169961 /nfs/dbraw/zinc/16/99/61/1016169961.db2.gz PSGASENXLDVIHL-KRWDZBQOSA-N -1 0 354.406 2.840 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001599350044 998077813 /nfs/dbraw/zinc/07/78/13/998077813.db2.gz SXPRKKOENMZFJF-UHFFFAOYSA-N -1 0 367.766 2.686 20 30 FFEDRM COc1cc(C#N)ccc1OCCOC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599350475 998085285 /nfs/dbraw/zinc/08/52/85/998085285.db2.gz UBYLHCCRSZHGGT-UHFFFAOYSA-N -1 0 359.378 2.524 20 30 FFEDRM COc1cc(OS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)[O-] ZINC001599455811 998185997 /nfs/dbraw/zinc/18/59/97/998185997.db2.gz ASKRMDHDAPWCOT-UHFFFAOYSA-N -1 0 367.766 2.686 20 30 FFEDRM COc1ccc(CNC(=O)N(C)CCc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001599565956 998286966 /nfs/dbraw/zinc/28/69/66/998286966.db2.gz GNIMUFUOCRBJGQ-UHFFFAOYSA-N -1 0 367.405 2.649 20 30 FFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)Nc1cc(F)cc(C#N)c1 ZINC001599365315 998326828 /nfs/dbraw/zinc/32/68/28/998326828.db2.gz HCGROSYQGDVZHA-UHFFFAOYSA-N -1 0 357.341 2.768 20 30 FFEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001594151846 998533965 /nfs/dbraw/zinc/53/39/65/998533965.db2.gz ZSAYHKNLGSZBNH-BXUZGUMPSA-N -1 0 354.328 2.562 20 30 FFEDRM COc1ccc(C#N)cc1NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001599476738 998544485 /nfs/dbraw/zinc/54/44/85/998544485.db2.gz KYHFWBYFQNDLDO-WDEREUQCSA-N -1 0 371.315 2.684 20 30 FFEDRM CCO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000845540184 998583738 /nfs/dbraw/zinc/58/37/38/998583738.db2.gz NEKFXGXXRQXDAI-AWEZNQCLSA-N -1 0 366.421 2.653 20 30 FFEDRM CCOC(=O)c1cc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)on1 ZINC000845834598 998669578 /nfs/dbraw/zinc/66/95/78/998669578.db2.gz VBFMVAQIKMJXGW-LLVKDONJSA-N -1 0 372.402 2.997 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000732598587 998707980 /nfs/dbraw/zinc/70/79/80/998707980.db2.gz VJLBQRHDLZZBRV-OAHLLOKOSA-N -1 0 368.458 2.699 20 30 FFEDRM CCCN1C(=O)C(=NN=Cc2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000733202239 998910472 /nfs/dbraw/zinc/91/04/72/998910472.db2.gz YGHBZAVTCPBNMW-UHFFFAOYSA-N -1 0 365.389 2.730 20 30 FFEDRM COc1ccc(C=NNC(=S)Nc2ccccc2C)c(OCC(=O)[O-])c1 ZINC000734363163 999273131 /nfs/dbraw/zinc/27/31/31/999273131.db2.gz VSSARDVHSXNVRH-UHFFFAOYSA-N -1 0 373.434 2.788 20 30 FFEDRM COCCn1c(C)c(C)c2cc(C([O-])=C(C#N)C(=O)NC3CC3)ccc21 ZINC000103330207 1000069970 /nfs/dbraw/zinc/06/99/70/1000069970.db2.gz HVKNPPXETUPJOW-KRWDZBQOSA-N -1 0 353.422 2.506 20 30 FFEDRM CCCN(CCC)C(=O)c1cccc(C([O-])=C(C#N)C(=O)NC(C)C)c1 ZINC000103330365 1000069990 /nfs/dbraw/zinc/06/99/90/1000069990.db2.gz LIHKQLSRNFYMQQ-KRWDZBQOSA-N -1 0 357.454 2.796 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cc2cccc(C)c2o1 ZINC000766988118 1000094241 /nfs/dbraw/zinc/09/42/41/1000094241.db2.gz KRPLPMOLYYAUMW-UHFFFAOYSA-N -1 0 370.386 2.740 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000766980259 1000095276 /nfs/dbraw/zinc/09/52/76/1000095276.db2.gz QDLJXQFXVJLBEK-UHFFFAOYSA-N -1 0 372.446 2.740 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000846153978 1000210287 /nfs/dbraw/zinc/21/02/87/1000210287.db2.gz LAJXQLHGOQIQQN-JTQLQIEISA-N -1 0 367.377 2.734 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 ZINC000846153616 1000211030 /nfs/dbraw/zinc/21/10/30/1000211030.db2.gz KIXWVOGEGCPZIZ-YOEHRIQHSA-N -1 0 368.437 2.678 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc([O-])c(F)c2)C1=O ZINC000768679080 1000317166 /nfs/dbraw/zinc/31/71/66/1000317166.db2.gz SFTMACJXZVSCOC-SFHVURJKSA-N -1 0 365.405 2.847 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000846552884 1000353384 /nfs/dbraw/zinc/35/33/84/1000353384.db2.gz SCSQHSJDKIRIEE-AWEZNQCLSA-N -1 0 373.478 2.812 20 30 FFEDRM CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)c2ccc(C)c(C#N)c2)n1 ZINC000846644030 1000398582 /nfs/dbraw/zinc/39/85/82/1000398582.db2.gz VZGJNUMTBAUWAF-OAHLLOKOSA-N -1 0 369.425 2.679 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(N(C)C)c(F)c2)cc1 ZINC000770112561 1000681439 /nfs/dbraw/zinc/68/14/39/1000681439.db2.gz YAIWNFZWKYOWCY-MRXNPFEDSA-N -1 0 369.396 2.539 20 30 FFEDRM COc1ccc(CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1C#N ZINC000786410070 1001586516 /nfs/dbraw/zinc/58/65/16/1001586516.db2.gz CWHMGRPQDZOWPY-UHFFFAOYSA-N -1 0 366.352 2.527 20 30 FFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(F)c1 ZINC000786538012 1001598551 /nfs/dbraw/zinc/59/85/51/1001598551.db2.gz CVYBVXJVLHCRJR-INIZCTEOSA-N -1 0 368.364 2.560 20 30 FFEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cc1 ZINC000786540958 1001598651 /nfs/dbraw/zinc/59/86/51/1001598651.db2.gz UXJMEAXTNZDHEQ-MRXNPFEDSA-N -1 0 370.792 2.765 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc(-c3ncon3)cc2)c1 ZINC000786551342 1001604329 /nfs/dbraw/zinc/60/43/29/1001604329.db2.gz DKMQMZQHXDDAJE-KRWDZBQOSA-N -1 0 360.373 2.684 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3)c1 ZINC000786553063 1001604431 /nfs/dbraw/zinc/60/44/31/1001604431.db2.gz RJZMZOSKMRFWAO-KRWDZBQOSA-N -1 0 361.401 2.519 20 30 FFEDRM Cc1ccn2cc(C([O-])=C(C#N)C(=O)NCc3ccc(F)cc3F)nc2c1 ZINC000786554208 1001605138 /nfs/dbraw/zinc/60/51/38/1001605138.db2.gz BKIAGVIMCCTKMD-CQSZACIVSA-N -1 0 368.343 2.560 20 30 FFEDRM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786565369 1001608571 /nfs/dbraw/zinc/60/85/71/1001608571.db2.gz WVYDLXLASBIUJP-OAHLLOKOSA-N -1 0 373.315 2.820 20 30 FFEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)C(=O)N(C)Cc3ccccc3)cc2)n[nH]1 ZINC000787065412 1001657393 /nfs/dbraw/zinc/65/73/93/1001657393.db2.gz HGUXCSAANNAFFC-SFHVURJKSA-N -1 0 373.416 2.761 20 30 FFEDRM CC(C)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000787059837 1001661287 /nfs/dbraw/zinc/66/12/87/1001661287.db2.gz ORYMTTKUQTUPHD-INIZCTEOSA-N -1 0 366.377 2.752 20 30 FFEDRM O=C1C(=NN=c2[n-]nc(-c3ccccn3)s2)CCN1Cc1ccccc1 ZINC000788027531 1001746507 /nfs/dbraw/zinc/74/65/07/1001746507.db2.gz DJGBYCALIRMMBN-UHFFFAOYSA-N -1 0 364.434 2.801 20 30 FFEDRM CCCCCCCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000788858435 1001906525 /nfs/dbraw/zinc/90/65/25/1001906525.db2.gz AGIWTSMKGQEILH-AEFFLSMTSA-N -1 0 360.454 2.890 20 30 FFEDRM CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001182820183 1002062343 /nfs/dbraw/zinc/06/23/43/1002062343.db2.gz HIEIKEUTFNVRCB-UHFFFAOYSA-N -1 0 351.378 2.987 20 30 FFEDRM Nc1c(F)cnc(Br)c1NC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184240899 1002536912 /nfs/dbraw/zinc/53/69/12/1002536912.db2.gz HXQBOLACDNAZOB-UHFFFAOYSA-N -1 0 353.171 2.554 20 30 FFEDRM COC(=O)c1ccc(N(C(=O)CCC(=O)C2=CC=C[CH]2)C2CC2)c(N)c1 ZINC001184244825 1002536941 /nfs/dbraw/zinc/53/69/41/1002536941.db2.gz WDLBWTJQIFHHNQ-UHFFFAOYSA-N -1 0 353.398 2.601 20 30 FFEDRM O=C(CCC(=O)N1CCC(c2noc(C(F)(F)F)n2)CC1)C1=CC=C[CH]1 ZINC001184244275 1002537179 /nfs/dbraw/zinc/53/71/79/1002537179.db2.gz SHOFULDAKFWPAL-UHFFFAOYSA-N -1 0 368.335 2.844 20 30 FFEDRM COc1ccccc1[C@H](NC(=O)CCC(=O)C1=CC=C[CH]1)c1nnc(C)o1 ZINC001184247110 1002537726 /nfs/dbraw/zinc/53/77/26/1002537726.db2.gz GSDCLKMPSYRCGY-IBGZPJMESA-N -1 0 366.397 2.642 20 30 FFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185005583 1002775191 /nfs/dbraw/zinc/77/51/91/1002775191.db2.gz FWZGYMSUATWPSP-UHFFFAOYSA-N -1 0 366.906 2.555 20 30 FFEDRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC#Cc1ccccc1Cl ZINC000747050686 1002854438 /nfs/dbraw/zinc/85/44/38/1002854438.db2.gz YUZYGHKARXZVDH-UHFFFAOYSA-N -1 0 369.808 2.843 20 30 FFEDRM C=CCOC(=O)N[C@@H]1CCCN(C(=O)C=C([O-])c2ccccc2Cl)C1 ZINC001185435230 1002942574 /nfs/dbraw/zinc/94/25/74/1002942574.db2.gz LHTMRLXSJSANOI-CYBMUJFWSA-N -1 0 364.829 2.816 20 30 FFEDRM N#Cc1c(F)c(F)cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1F ZINC001186193798 1003215337 /nfs/dbraw/zinc/21/53/37/1003215337.db2.gz WSOJNNWPSGLGHD-UHFFFAOYSA-N -1 0 374.271 2.614 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccnc(C)c1 ZINC000793123535 1003276840 /nfs/dbraw/zinc/27/68/40/1003276840.db2.gz YRYPVGXTQCTAHB-CQSZACIVSA-N -1 0 353.378 2.717 20 30 FFEDRM COc1ccc(C#N)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC001186412746 1003304434 /nfs/dbraw/zinc/30/44/34/1003304434.db2.gz YQCWQMIGJQAIQZ-UHFFFAOYSA-N -1 0 368.212 2.525 20 30 FFEDRM N#Cc1c(F)cc([N-]S(=O)(=O)c2cncc(Br)c2)cc1F ZINC001186417694 1003314676 /nfs/dbraw/zinc/31/46/76/1003314676.db2.gz FJBLTQBQHJJRRM-UHFFFAOYSA-N -1 0 374.166 2.795 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)c3ccccc32)CCCCC1 ZINC000793208828 1003315498 /nfs/dbraw/zinc/31/54/98/1003315498.db2.gz JKSAAVFSKAGOBS-INIZCTEOSA-N -1 0 374.462 2.667 20 30 FFEDRM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c1 ZINC001186572920 1003352294 /nfs/dbraw/zinc/35/22/94/1003352294.db2.gz HBLMGJCEOBZWDR-LBPRGKRZSA-N -1 0 374.418 2.910 20 30 FFEDRM CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000793381974 1003354254 /nfs/dbraw/zinc/35/42/54/1003354254.db2.gz RLDDJHDLZPCZTR-UHFFFAOYSA-N -1 0 374.422 2.655 20 30 FFEDRM N#Cc1ccc(I)c([N-]S(=O)(=O)c2ccco2)c1 ZINC001186856710 1003467341 /nfs/dbraw/zinc/46/73/41/1003467341.db2.gz UQAMMKKBJMBEJP-UHFFFAOYSA-N -1 0 374.159 2.557 20 30 FFEDRM COc1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1C#N ZINC001187136741 1003581822 /nfs/dbraw/zinc/58/18/22/1003581822.db2.gz QGIIHZVBWJUQMR-UHFFFAOYSA-N -1 0 368.827 2.730 20 30 FFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196314104 1003732249 /nfs/dbraw/zinc/73/22/49/1003732249.db2.gz POAQVAWSHMWCNG-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM N#Cc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196317875 1003741612 /nfs/dbraw/zinc/74/16/12/1003741612.db2.gz QDHMAAAGSSZTPE-UHFFFAOYSA-N -1 0 374.166 2.795 20 30 FFEDRM N#Cc1cccnc1C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001196558484 1003842437 /nfs/dbraw/zinc/84/24/37/1003842437.db2.gz HJLDTCYQTDVMMD-UHFFFAOYSA-N -1 0 369.336 2.687 20 30 FFEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)cc1 ZINC001191455662 1003850365 /nfs/dbraw/zinc/85/03/65/1003850365.db2.gz JGANZVVUAQLUSS-UHFFFAOYSA-N -1 0 366.345 2.814 20 30 FFEDRM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)cc1 ZINC001191613255 1003906997 /nfs/dbraw/zinc/90/69/97/1003906997.db2.gz WAHXHPIINLRKHW-UHFFFAOYSA-N -1 0 365.414 2.872 20 30 FFEDRM N#Cc1cccc2[nH]nc(NC(=O)c3nc(Br)ccc3[O-])c21 ZINC001191734226 1003940864 /nfs/dbraw/zinc/94/08/64/1003940864.db2.gz RVJQJXIJSNDLJQ-UHFFFAOYSA-N -1 0 358.155 2.550 20 30 FFEDRM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)c(C#N)cc2C#N)c(C)c1 ZINC001196848072 1003979043 /nfs/dbraw/zinc/97/90/43/1003979043.db2.gz BIYLBCTWBKDYNA-UHFFFAOYSA-N -1 0 356.407 2.560 20 30 FFEDRM COC(=O)CCCCS(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC001196913240 1004012972 /nfs/dbraw/zinc/01/29/72/1004012972.db2.gz JUVKZJNTCBZPJE-UHFFFAOYSA-N -1 0 356.469 2.584 20 30 FFEDRM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C#N)c1 ZINC001197107363 1004086540 /nfs/dbraw/zinc/08/65/40/1004086540.db2.gz UVIVSBULHLXFAS-VQHVLOKHSA-N -1 0 356.403 2.854 20 30 FFEDRM COC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C#N)c1 ZINC001197119339 1004092550 /nfs/dbraw/zinc/09/25/50/1004092550.db2.gz IARVQJJFOCVINR-UHFFFAOYSA-N -1 0 355.375 2.852 20 30 FFEDRM CCCCCCCC(=O)c1ccc([O-])c(C(=O)n2cc(N)c(=O)nc2N)c1 ZINC001197365421 1004176297 /nfs/dbraw/zinc/17/62/97/1004176297.db2.gz LHZJJGRRMKPCEK-UHFFFAOYSA-N -1 0 372.425 2.588 20 30 FFEDRM CC1(S(=O)(=O)[N-]C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000806026580 1004218916 /nfs/dbraw/zinc/21/89/16/1004218916.db2.gz FUFNSJLKMIHSPL-UHFFFAOYSA-N -1 0 370.430 2.749 20 30 FFEDRM CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197564630 1004273859 /nfs/dbraw/zinc/27/38/59/1004273859.db2.gz KIDAEQGXHKAZKW-UHFFFAOYSA-N -1 0 354.382 2.730 20 30 FFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ncc(Br)cc1C(F)(F)F ZINC001193104062 1004374832 /nfs/dbraw/zinc/37/48/32/1004374832.db2.gz FFYHIRYLWFNLMO-YFKPBYRVSA-N -1 0 358.139 2.517 20 30 FFEDRM CCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)CCC(=O)C1=CC=C[CH]1 ZINC001273753777 1004381419 /nfs/dbraw/zinc/38/14/19/1004381419.db2.gz XJALLCKMDQKBBL-NRFANRHFSA-N -1 0 357.474 2.820 20 30 FFEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1NC(=O)c1cccnc1Cl ZINC001193097338 1004385042 /nfs/dbraw/zinc/38/50/42/1004385042.db2.gz IYBCLOKSQVFMLS-SNVBAGLBSA-N -1 0 364.814 2.641 20 30 FFEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001193139292 1004387274 /nfs/dbraw/zinc/38/72/74/1004387274.db2.gz BOEIVHFGSYXBAB-NSHDSACASA-N -1 0 351.428 2.638 20 30 FFEDRM Cc1ccnc(NC(=O)c2ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(C)c2)c1 ZINC001193158082 1004393013 /nfs/dbraw/zinc/39/30/13/1004393013.db2.gz LSJLPKCGLDOMNX-ZDUSSCGKSA-N -1 0 358.423 2.605 20 30 FFEDRM N#Cc1cc(C(=O)Nc2cc(Cl)nn(-c3ccccc3)c2=O)ccc1[O-] ZINC001193515189 1004507811 /nfs/dbraw/zinc/50/78/11/1004507811.db2.gz KXOQDMQOCKFDNZ-UHFFFAOYSA-N -1 0 366.764 2.715 20 30 FFEDRM COc1c(Br)ccc([N-]S(=O)(=O)CC2CCC2)c1C#N ZINC001193524143 1004510469 /nfs/dbraw/zinc/51/04/69/1004510469.db2.gz YJEJWDLMRPDCAJ-UHFFFAOYSA-N -1 0 359.245 2.871 20 30 FFEDRM N#CCc1nn(-c2ccccc2)c(NC(=O)c2cccc(C#N)c2[O-])c1C#N ZINC001193642114 1004533085 /nfs/dbraw/zinc/53/30/85/1004533085.db2.gz ALZXTLBWLWASOP-UHFFFAOYSA-N -1 0 368.356 2.640 20 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C#C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(C)C ZINC001568280383 1077082581 /nfs/dbraw/zinc/08/25/81/1077082581.db2.gz QNOJYDDRGPBGBA-OAHLLOKOSA-N -1 0 362.476 2.937 20 30 FFEDRM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)O2 ZINC001570861301 1077236950 /nfs/dbraw/zinc/23/69/50/1077236950.db2.gz VYWVXFKBKMBYTN-IBGZPJMESA-N -1 0 365.393 2.506 20 30 FFEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Br)cc1 ZINC001573318292 1077243202 /nfs/dbraw/zinc/24/32/02/1077243202.db2.gz MXOVVVAFLJJBNI-CYBMUJFWSA-N -1 0 359.179 2.647 20 30 FFEDRM C#CCN(Cc1ccccc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001573310763 1077666722 /nfs/dbraw/zinc/66/67/22/1077666722.db2.gz CFXGZPFCBSCELI-MRXNPFEDSA-N -1 0 354.431 2.687 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C(C)C)C(=O)[O-] ZINC001573323370 1077670209 /nfs/dbraw/zinc/67/02/09/1077670209.db2.gz ANWMQLVPFVUBAF-CQSZACIVSA-N -1 0 355.456 2.825 20 30 FFEDRM C=C(CC(C)C)C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001573325410 1077670225 /nfs/dbraw/zinc/67/02/25/1077670225.db2.gz IXZZXVPWVHPNHN-CQSZACIVSA-N -1 0 354.447 2.511 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001573328380 1077670770 /nfs/dbraw/zinc/67/07/70/1077670770.db2.gz HDVYEPFJGUOGNN-TXKKKEFDSA-N -1 0 364.467 2.858 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001573337297 1077673583 /nfs/dbraw/zinc/67/35/83/1077673583.db2.gz MIKDDOHUUXAROI-UHFFFAOYSA-N -1 0 374.418 2.847 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC001573357845 1077681104 /nfs/dbraw/zinc/68/11/04/1077681104.db2.gz UMZGCOFWLZCUBN-GOSISDBHSA-N -1 0 355.438 2.957 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)C(=O)[O-] ZINC001573358289 1077681111 /nfs/dbraw/zinc/68/11/11/1077681111.db2.gz XVHCYGMZUSNJHA-MCIONIFRSA-N -1 0 354.447 2.558 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC001573359881 1077681952 /nfs/dbraw/zinc/68/19/52/1077681952.db2.gz LQAIIXKBIHBDNA-IBGZPJMESA-N -1 0 374.441 2.513 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC001573365515 1077683822 /nfs/dbraw/zinc/68/38/22/1077683822.db2.gz VZHGGXPIJWXATP-NRFANRHFSA-N -1 0 366.417 2.929 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001573367768 1077684189 /nfs/dbraw/zinc/68/41/89/1077684189.db2.gz AAZFNJBAAYFNEB-UHFFFAOYSA-N -1 0 365.393 2.619 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1OC ZINC001573378583 1077687831 /nfs/dbraw/zinc/68/78/31/1077687831.db2.gz PAJLSWDDKVUNOO-LTMGMZKTSA-N -1 0 371.433 2.987 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC001573379302 1077687927 /nfs/dbraw/zinc/68/79/27/1077687927.db2.gz BWFPAZFHHSRIRQ-SKDRFNHKSA-N -1 0 354.200 2.985 20 30 FFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001573496977 1077717619 /nfs/dbraw/zinc/71/76/19/1077717619.db2.gz DTKRPRSIRLZBQD-UHFFFAOYSA-N -1 0 355.272 2.944 20 30 FFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC001574110842 1077904141 /nfs/dbraw/zinc/90/41/41/1077904141.db2.gz HBACQLHLGIWFQR-IBGZPJMESA-N -1 0 372.352 2.705 20 30 FFEDRM COCCC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001574150696 1077909121 /nfs/dbraw/zinc/90/91/21/1077909121.db2.gz UYCAWUQOVPEIQG-KBXCAEBGSA-N -1 0 366.845 2.971 20 30 FFEDRM N#Cc1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001574488122 1078001008 /nfs/dbraw/zinc/00/10/08/1078001008.db2.gz KXUCEIVIOMVCSW-MRXNPFEDSA-N -1 0 368.780 2.870 20 30 FFEDRM N#Cc1ccc(OCc2cccc(C(=O)Nc3c[nH]nc3C(=O)[O-])c2)cc1 ZINC001574487873 1078001144 /nfs/dbraw/zinc/00/11/44/1078001144.db2.gz KCDFCOMCUNBBSG-UHFFFAOYSA-N -1 0 362.345 2.811 20 30 FFEDRM C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC001588376112 1079997396 /nfs/dbraw/zinc/99/73/96/1079997396.db2.gz BJWWSXYKLYDILK-HNNXBMFYSA-N -1 0 369.870 2.969 20 30 FFEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC001588377610 1079998634 /nfs/dbraw/zinc/99/86/34/1079998634.db2.gz NMCBXTHXNGMJTM-GFCCVEGCSA-N -1 0 363.357 2.730 20 30 FFEDRM C#CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC001588395913 1080008691 /nfs/dbraw/zinc/00/86/91/1080008691.db2.gz VHKMMONEQPZYJU-QGZVFWFLSA-N -1 0 364.401 2.821 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001588400030 1080010693 /nfs/dbraw/zinc/01/06/93/1080010693.db2.gz QYAPNXCMYPPGIC-UHFFFAOYSA-N -1 0 370.630 2.681 20 30 FFEDRM C=C(C)C(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC001588402627 1080010829 /nfs/dbraw/zinc/01/08/29/1080010829.db2.gz JGONCSADWMCAPF-UHFFFAOYSA-N -1 0 354.370 2.562 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1nnc([C@@H](CC)c2ccccc2)s1 ZINC001588417276 1080020539 /nfs/dbraw/zinc/02/05/39/1080020539.db2.gz GCDZPBNURUTDNV-ZDUSSCGKSA-N -1 0 358.423 2.632 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(-c2ccc(OCC)cc2)nc1CC ZINC001588418958 1080020629 /nfs/dbraw/zinc/02/06/29/1080020629.db2.gz XVSUTIBSROVXFA-UHFFFAOYSA-N -1 0 372.446 2.931 20 30 FFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588442593 1080028755 /nfs/dbraw/zinc/02/87/55/1080028755.db2.gz SWEIJLZFJNOIOJ-SFHVURJKSA-N -1 0 358.438 2.562 20 30 FFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001588466112 1080038864 /nfs/dbraw/zinc/03/88/64/1080038864.db2.gz VSSMFPUTBNKBRK-UHFFFAOYSA-N -1 0 366.801 2.847 20 30 FFEDRM C=CCn1c(S[C@@H](CC)C(=O)[O-])nnc1[C@@H]1COc2ccccc2O1 ZINC001588472503 1080039902 /nfs/dbraw/zinc/03/99/02/1080039902.db2.gz NTQSXHSCNAOZKL-KBPBESRZSA-N -1 0 361.423 2.932 20 30 FFEDRM C=CCn1nc(C)c(-c2cc(C(=O)NC3(C(=O)[O-])CCCCC3)[nH]n2)c1C ZINC001588474949 1080042223 /nfs/dbraw/zinc/04/22/23/1080042223.db2.gz PTXQJMHCDCAPFY-UHFFFAOYSA-N -1 0 371.441 2.593 20 30 FFEDRM C#CCOc1ccccc1NC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001588504949 1080061528 /nfs/dbraw/zinc/06/15/28/1080061528.db2.gz PFNJRQQBOIYSAH-IBGZPJMESA-N -1 0 353.378 2.605 20 30 FFEDRM C#Cc1cccc(CNS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)c1 ZINC001588522234 1080075499 /nfs/dbraw/zinc/07/54/99/1080075499.db2.gz KPGBWCORQOPQPV-UHFFFAOYSA-N -1 0 365.410 2.998 20 30 FFEDRM C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588529168 1080079562 /nfs/dbraw/zinc/07/95/62/1080079562.db2.gz RAQJAFMYOBGIDY-GFCCVEGCSA-N -1 0 369.263 2.755 20 30 FFEDRM CC(=O)c1ccc(Br)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001588528522 1080080026 /nfs/dbraw/zinc/08/00/26/1080080026.db2.gz YTBVEFPGEHZKPP-CQSZACIVSA-N -1 0 353.172 2.595 20 30 FFEDRM C=C(C)[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC001588533860 1080083606 /nfs/dbraw/zinc/08/36/06/1080083606.db2.gz AXIYOUGJWTYGJQ-OAHLLOKOSA-N -1 0 363.364 2.982 20 30 FFEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588535601 1080084962 /nfs/dbraw/zinc/08/49/62/1080084962.db2.gz KADOHKKGHJLQMP-SNVBAGLBSA-N -1 0 371.231 2.904 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C(=O)[O-] ZINC001588546491 1080088752 /nfs/dbraw/zinc/08/87/52/1080088752.db2.gz MKIBIXUDVITNOQ-GFCCVEGCSA-N -1 0 371.187 2.815 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)[O-] ZINC001588543273 1080089304 /nfs/dbraw/zinc/08/93/04/1080089304.db2.gz ZPKJJGSKTFZZBT-HNNXBMFYSA-N -1 0 373.405 2.578 20 30 FFEDRM C[C@](C#N)(NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC001588543695 1080089558 /nfs/dbraw/zinc/08/95/58/1080089558.db2.gz QJLVAAGISQTGJK-YLJYHZDGSA-N -1 0 368.437 2.685 20 30 FFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001588567658 1080101289 /nfs/dbraw/zinc/10/12/89/1080101289.db2.gz PWDZKDYQHVHYRK-UHFFFAOYSA-N -1 0 360.418 2.506 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C(C)C)[nH]n2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588576984 1080105354 /nfs/dbraw/zinc/10/53/54/1080105354.db2.gz JPFGUMHYWRUTIL-ZIAGYGMSSA-N -1 0 372.473 2.915 20 30 FFEDRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C1CC1 ZINC001588585028 1080109800 /nfs/dbraw/zinc/10/98/00/1080109800.db2.gz UPKBVKNZFIQOAK-RNCFNFMXSA-N -1 0 355.316 2.809 20 30 FFEDRM C=C(C)Cn1c(-c2ncc[nH]2)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588588868 1080112142 /nfs/dbraw/zinc/11/21/42/1080112142.db2.gz BPCDIIZZNYOYNA-UHFFFAOYSA-N -1 0 364.409 2.505 20 30 FFEDRM C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588590666 1080113708 /nfs/dbraw/zinc/11/37/08/1080113708.db2.gz AQBURULXEOQRQD-DOXZYTNZSA-N -1 0 361.490 2.558 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591249 1080114818 /nfs/dbraw/zinc/11/48/18/1080114818.db2.gz HAYAAKPJXMIVJC-HNAYVOBHSA-N -1 0 362.474 2.769 20 30 FFEDRM C=C(C)Cn1c(CC[C@H]2CCCO2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588597556 1080118347 /nfs/dbraw/zinc/11/83/47/1080118347.db2.gz HKDKRIBPEHKVNF-IXDOHACOSA-N -1 0 374.485 2.513 20 30 FFEDRM C=C(C)Cn1c(CCOCC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588597719 1080118359 /nfs/dbraw/zinc/11/83/59/1080118359.db2.gz JUQIKOZJWMTNCO-UHFFFAOYSA-N -1 0 370.453 2.694 20 30 FFEDRM C=C(C)Cn1c(SCC(=O)C(C)(C)C(=O)[O-])nnc1-c1ccncc1 ZINC001588599116 1080119312 /nfs/dbraw/zinc/11/93/12/1080119312.db2.gz VRXMQXSYOUHDGS-UHFFFAOYSA-N -1 0 360.439 2.688 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588614442 1080122659 /nfs/dbraw/zinc/12/26/59/1080122659.db2.gz VEJNJSMDYWGLHT-HNNXBMFYSA-N -1 0 374.437 2.890 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001588614382 1080122766 /nfs/dbraw/zinc/12/27/66/1080122766.db2.gz SPQNHZOPOXNXQQ-TZMCWYRMSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](C)Oc1ccccc1Br ZINC001588623867 1080125945 /nfs/dbraw/zinc/12/59/45/1080125945.db2.gz ZOPDRNSVYROBQO-NSHDSACASA-N -1 0 356.216 2.754 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588630483 1080128680 /nfs/dbraw/zinc/12/86/80/1080128680.db2.gz NETAEXNSYVZWBA-ZDUSSCGKSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001588642612 1080135613 /nfs/dbraw/zinc/13/56/13/1080135613.db2.gz YAQWIAGQUNXNAA-NSHDSACASA-N -1 0 362.854 2.734 20 30 FFEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)[O-] ZINC001588650186 1080140897 /nfs/dbraw/zinc/14/08/97/1080140897.db2.gz BOCKQMQCKRTYMU-CQSZACIVSA-N -1 0 370.413 2.540 20 30 FFEDRM C=CCOc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC001588690029 1080155927 /nfs/dbraw/zinc/15/59/27/1080155927.db2.gz XPGMCVTXTBAUBC-UHFFFAOYSA-N -1 0 353.386 2.989 20 30 FFEDRM C=CC[C@@]1(C(=O)N(C)CCCC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588763514 1080184193 /nfs/dbraw/zinc/18/41/93/1080184193.db2.gz UECDNEMHKMOALW-SFHVURJKSA-N -1 0 354.447 2.655 20 30 FFEDRM C=CC[C@]1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588762805 1080184315 /nfs/dbraw/zinc/18/43/15/1080184315.db2.gz NCEHZNBWVDSXEI-AUUYWEPGSA-N -1 0 364.442 2.622 20 30 FFEDRM C=CCC[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588781779 1080193061 /nfs/dbraw/zinc/19/30/61/1080193061.db2.gz GXCHHGQSECHUON-AWEZNQCLSA-N -1 0 366.439 2.751 20 30 FFEDRM C=CCCC[C@@H](C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1ccccc1 ZINC001588782503 1080195102 /nfs/dbraw/zinc/19/51/02/1080195102.db2.gz FYVJVWFOGRTCLV-OXQOHEQNSA-N -1 0 356.422 2.959 20 30 FFEDRM C=CCCC[C@H](NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588788502 1080196660 /nfs/dbraw/zinc/19/66/60/1080196660.db2.gz DWXMEJYMNVSDAY-GJZGRUSLSA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001588793086 1080198893 /nfs/dbraw/zinc/19/88/93/1080198893.db2.gz SDCWSTSEOKYKLZ-NSHDSACASA-N -1 0 358.297 2.736 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(I)cc1)C(=O)[O-] ZINC001588792977 1080198971 /nfs/dbraw/zinc/19/89/71/1080198971.db2.gz JFJHVZWBXQMICM-GFCCVEGCSA-N -1 0 373.190 2.831 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001588794431 1080199798 /nfs/dbraw/zinc/19/97/98/1080199798.db2.gz UJGSOJKWNJBMNT-ZIAGYGMSSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@H](NC(=O)Cn1nc(C(F)F)cc1C(F)F)C(=O)[O-] ZINC001588793885 1080199969 /nfs/dbraw/zinc/19/99/69/1080199969.db2.gz FDSAXTASXOLLLO-QMMMGPOBSA-N -1 0 351.300 2.684 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)C(=O)[O-] ZINC001588797283 1080200656 /nfs/dbraw/zinc/20/06/56/1080200656.db2.gz AZCCVQWDCYVJAT-ZDUSSCGKSA-N -1 0 362.817 2.768 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cnn2cccc(Br)c12)C(=O)[O-] ZINC001588798298 1080200731 /nfs/dbraw/zinc/20/07/31/1080200731.db2.gz ZVEXWTXKIPSOMH-LBPRGKRZSA-N -1 0 366.215 2.636 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001588799012 1080201495 /nfs/dbraw/zinc/20/14/95/1080201495.db2.gz XXXVYLZWUOTPLD-LLVKDONJSA-N -1 0 369.336 2.932 20 30 FFEDRM C=CCCn1cc(CNc2cccc(C(=O)[O-])c2Br)nn1 ZINC001588819883 1080207704 /nfs/dbraw/zinc/20/77/04/1080207704.db2.gz GHGQKMOFIKVXEH-UHFFFAOYSA-N -1 0 351.204 2.927 20 30 FFEDRM C=CCCn1cc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)nn1 ZINC001588819959 1080207729 /nfs/dbraw/zinc/20/77/29/1080207729.db2.gz KIEZOLSXKKUXDD-UHFFFAOYSA-N -1 0 358.427 2.786 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588828818 1080209331 /nfs/dbraw/zinc/20/93/31/1080209331.db2.gz OLGXCFVTTOYKPL-UHFFFAOYSA-N -1 0 356.426 2.965 20 30 FFEDRM C=CCN1C(=O)N[C@H](c2cc(OCC)c(OC)cc2F)C(C(=O)[O-])=C1C ZINC001588832230 1080211421 /nfs/dbraw/zinc/21/14/21/1080211421.db2.gz IVNWHURDUWGBFL-MRXNPFEDSA-N -1 0 364.373 2.844 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cnccc1C(=O)[O-] ZINC001588831743 1080212249 /nfs/dbraw/zinc/21/22/49/1080212249.db2.gz NAOVOTCTTYXBFL-LBPRGKRZSA-N -1 0 374.418 2.601 20 30 FFEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2C1=O ZINC001588837098 1080213347 /nfs/dbraw/zinc/21/33/47/1080213347.db2.gz QACCQFIWTALEST-UHFFFAOYSA-N -1 0 368.320 2.558 20 30 FFEDRM C=CCNc1ncc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])s1 ZINC001588849288 1080217275 /nfs/dbraw/zinc/21/72/75/1080217275.db2.gz IKHUIQJPYRARDM-UHFFFAOYSA-N -1 0 363.395 2.709 20 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350.422 2.943 20 30 FFEDRM N#CC1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CCCC1 ZINC000548209214 516827964 /nfs/dbraw/zinc/82/79/64/516827964.db2.gz KCUPUTDDUYMQBZ-HNNXBMFYSA-N -1 0 350.440 2.596 20 30 FFEDRM C[C@@H]1CC[C@](CNS(=O)(=O)CC2(C#N)CCCCC2)(CC(=O)[O-])C1 ZINC000548221512 516835302 /nfs/dbraw/zinc/83/53/02/516835302.db2.gz XEPWKKQCISBKKS-RHSMWYFYSA-N -1 0 356.488 2.661 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C1CCOCC1 ZINC000529001656 516855304 /nfs/dbraw/zinc/85/53/04/516855304.db2.gz XNZMQDYIEOJLNG-OAHLLOKOSA-N -1 0 361.405 2.976 20 30 FFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c1 ZINC000519023736 516859198 /nfs/dbraw/zinc/85/91/98/516859198.db2.gz ZFJOCJCRMGFQPS-UHFFFAOYSA-N -1 0 367.452 2.857 20 30 FFEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000544823079 516946128 /nfs/dbraw/zinc/94/61/28/516946128.db2.gz YZDUJNPJDJUFGS-AWEZNQCLSA-N -1 0 363.377 2.637 20 30 FFEDRM N#C[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C1CC1 ZINC000519546641 517038497 /nfs/dbraw/zinc/03/84/97/517038497.db2.gz BTDNUUXQPFAVNQ-NSHDSACASA-N -1 0 350.300 2.629 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000548560930 517054833 /nfs/dbraw/zinc/05/48/33/517054833.db2.gz GFYNYCRVEZCWLH-UHFFFAOYSA-N -1 0 362.794 2.614 20 30 FFEDRM C=CCN=c1[n-]nc(SCC2CCN(C(=O)C(C)(C)C)CC2)s1 ZINC000545126752 517061243 /nfs/dbraw/zinc/06/12/43/517061243.db2.gz SNZIRRDPHXRIEY-UHFFFAOYSA-N -1 0 354.545 2.935 20 30 FFEDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548588250 517068881 /nfs/dbraw/zinc/06/88/81/517068881.db2.gz LJIZIURKRORBEI-MFKMUULPSA-N -1 0 358.847 2.769 20 30 FFEDRM C=CCOC[C@H](NC(=O)Nc1ccc(Cl)c(OC(F)F)c1)C(=O)[O-] ZINC000562433830 517106429 /nfs/dbraw/zinc/10/64/29/517106429.db2.gz AIZBIXHJGLPVST-JTQLQIEISA-N -1 0 364.732 2.719 20 30 FFEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc(-c2ccncc2)cs1 ZINC000559283828 517156076 /nfs/dbraw/zinc/15/60/76/517156076.db2.gz DBXZJHNRYSQHGD-LBPRGKRZSA-N -1 0 351.391 2.674 20 30 FFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000545294093 517156172 /nfs/dbraw/zinc/15/61/72/517156172.db2.gz TYXLIDUHLBJWRH-UHFFFAOYSA-N -1 0 359.407 2.635 20 30 FFEDRM CCC[C@H](CCCCNS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)[O-] ZINC000562528877 517167486 /nfs/dbraw/zinc/16/74/86/517167486.db2.gz YBRUWUGLSLUQEA-CQSZACIVSA-N -1 0 368.455 2.516 20 30 FFEDRM N#CCc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1 ZINC000537401690 517172187 /nfs/dbraw/zinc/17/21/87/517172187.db2.gz YLZLTEMPVBZGIS-HNNXBMFYSA-N -1 0 360.316 2.910 20 30 FFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1C#N ZINC000541780129 517212522 /nfs/dbraw/zinc/21/25/22/517212522.db2.gz AZJBWASNEGVDGD-UHFFFAOYSA-N -1 0 368.418 2.970 20 30 FFEDRM Cc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C(=O)[O-])cc1 ZINC000515195141 517248200 /nfs/dbraw/zinc/24/82/00/517248200.db2.gz SDJYXQMIZCOLOT-HNNXBMFYSA-N -1 0 364.810 2.624 20 30 FFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1nc(C2CCCCC2)no1)C(=O)[O-] ZINC000562647065 517267137 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CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(C)C)cn2)n1 ZINC000559990569 517520785 /nfs/dbraw/zinc/52/07/85/517520785.db2.gz UNVNJHAVOPASGY-GFCCVEGCSA-N -1 0 359.407 2.992 20 30 FFEDRM C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1)C(=O)[O-] ZINC000562974065 517546976 /nfs/dbraw/zinc/54/69/76/517546976.db2.gz CJLAZLKEEJTKQG-HIFRSBDPSA-N -1 0 351.834 2.637 20 30 FFEDRM CC(C)(C)n1cnc(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[n-]1 ZINC000542432796 517559738 /nfs/dbraw/zinc/55/97/38/517559738.db2.gz KTUZFDBFEUPHNC-CVEARBPZSA-N -1 0 352.442 2.759 20 30 FFEDRM C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[C@@H]1CCC(=O)[O-] ZINC000556714899 517596379 /nfs/dbraw/zinc/59/63/79/517596379.db2.gz YVMDXDXHOJCROD-NEPJUHHUSA-N -1 0 370.858 2.723 20 30 FFEDRM N#Cc1ncn(CCN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)n1 ZINC000553303734 517633885 /nfs/dbraw/zinc/63/38/85/517633885.db2.gz GVWPVMYOAUPBCA-UHFFFAOYSA-N -1 0 366.237 2.509 20 30 FFEDRM CC1(C)CC[C@@](NS(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1 ZINC000556772183 517647433 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CC(=O)N(c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)[C@H]1C[C@H]1C ZINC000563864461 518207281 /nfs/dbraw/zinc/20/72/81/518207281.db2.gz IRVBBTNPEZEUBW-XIKOKIGWSA-N -1 0 370.434 2.515 20 30 FFEDRM C[C@H](CCCCC(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000581354619 518244262 /nfs/dbraw/zinc/24/42/62/518244262.db2.gz YYXXNRPLWOKCIF-LLVKDONJSA-N -1 0 358.847 2.718 20 30 FFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]nc(C2CCOCC2)s1 ZINC000572597120 518268250 /nfs/dbraw/zinc/26/82/50/518268250.db2.gz WJVIWBSDJCOFMV-GFCCVEGCSA-N -1 0 371.466 2.951 20 30 FFEDRM CCCCC[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)s1 ZINC000578597304 518282252 /nfs/dbraw/zinc/28/22/52/518282252.db2.gz XIXRTCBOGQADNJ-VXGBXAGGSA-N -1 0 374.509 2.717 20 30 FFEDRM C=CCC[C@H](NC(=O)NCCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000578612557 518291441 /nfs/dbraw/zinc/29/14/41/518291441.db2.gz UJNPJWHTKOEONQ-ZDUSSCGKSA-N -1 0 360.332 2.846 20 30 FFEDRM COC(=O)c1c(C)c([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1F ZINC000578688371 518326666 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C=C[C@@](C)(O)CC(=O)NCCc1c(CC)[n-]n(Cc2ccccc2C)c1=O ZINC000570108041 518444047 /nfs/dbraw/zinc/44/40/47/518444047.db2.gz XCVNUKQHAFDNCI-DYESRHJHSA-N -1 0 371.481 2.553 20 30 FFEDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cncc(C#N)c3)c2)n1 ZINC000564549930 518498794 /nfs/dbraw/zinc/49/87/94/518498794.db2.gz NVWUIDKSTMSKSE-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)o1 ZINC000567422927 518514157 /nfs/dbraw/zinc/51/41/57/518514157.db2.gz XUDPQDJIFAZTQL-UHFFFAOYSA-N -1 0 363.139 2.993 20 30 FFEDRM CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000579088998 518515706 /nfs/dbraw/zinc/51/57/06/518515706.db2.gz WIKAILFPGPINQD-UHFFFAOYSA-N -1 0 369.446 2.913 20 30 FFEDRM C=CCCOCCNC(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000573290100 518593677 /nfs/dbraw/zinc/59/36/77/518593677.db2.gz VYCCMSFNJPHZLB-UHFFFAOYSA-N -1 0 350.469 2.825 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCCc1ccc(-c2nc(CC)no2)cc1)C(=O)[O-] ZINC000579322811 518624145 /nfs/dbraw/zinc/62/41/45/518624145.db2.gz 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ZINC000819833043 598227577 /nfs/dbraw/zinc/22/75/77/598227577.db2.gz DUWZZQHGQZKQLW-HNNXBMFYSA-N -1 0 365.227 2.601 20 30 FFEDRM C[C@H](Cc1ccccc1Br)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820107293 598230291 /nfs/dbraw/zinc/23/02/91/598230291.db2.gz GIHHMFXJNLVBAU-BMIGLBTASA-N -1 0 353.216 2.501 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000819864686 598230702 /nfs/dbraw/zinc/23/07/02/598230702.db2.gz BGMPHRGXEHPHIV-AWEZNQCLSA-N -1 0 350.787 2.802 20 30 FFEDRM C#CCn1c(-c2[nH]c(C)c(C(=O)[O-])c2C)csc1=Nc1cnn(CC)c1 ZINC000736087906 599762022 /nfs/dbraw/zinc/76/20/22/599762022.db2.gz LXZJGISGXNSIPS-UHFFFAOYSA-N -1 0 369.450 2.942 20 30 FFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000736429001 599798666 /nfs/dbraw/zinc/79/86/66/599798666.db2.gz YDESCBBGGYHECC-INIZCTEOSA-N -1 0 371.393 2.711 20 30 FFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000739088244 599831288 /nfs/dbraw/zinc/83/12/88/599831288.db2.gz PZKRUNFBXKAUBZ-UHFFFAOYSA-N -1 0 353.378 2.928 20 30 FFEDRM C=CCn1c(C)nn(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1=S ZINC000736118747 599853169 /nfs/dbraw/zinc/85/31/69/599853169.db2.gz XONFZXGGTQPROQ-UHFFFAOYSA-N -1 0 368.409 2.731 20 30 FFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000736200343 599854397 /nfs/dbraw/zinc/85/43/97/599854397.db2.gz BUJLZLYEBGBFIQ-CYBMUJFWSA-N -1 0 361.467 2.673 20 30 FFEDRM N#Cc1ccc(CN2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000739117041 599928521 /nfs/dbraw/zinc/92/85/21/599928521.db2.gz HXTYCVURTQBYMU-UHFFFAOYSA-N -1 0 364.405 2.606 20 30 FFEDRM N#CCCCOc1cccnc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738428104 599963001 /nfs/dbraw/zinc/96/30/01/599963001.db2.gz JZNMMFPDWVZGQS-UHFFFAOYSA-N -1 0 370.321 2.623 20 30 FFEDRM CCc1ccc([C@@H]2NC(=S)NC(c3cccs3)=C2C(=O)C(=O)[O-])cc1 ZINC000737260243 599992029 /nfs/dbraw/zinc/99/20/29/599992029.db2.gz HAXQXPARCGSELN-AWEZNQCLSA-N -1 0 372.471 2.894 20 30 FFEDRM C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736201593 600121680 /nfs/dbraw/zinc/12/16/80/600121680.db2.gz JDBANIFPNQSJPC-SECBINFHSA-N -1 0 359.304 2.949 20 30 FFEDRM N#CCCCCNC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000739070367 600126316 /nfs/dbraw/zinc/12/63/16/600126316.db2.gz ZLWCVAHUYIOOKO-ZDUSSCGKSA-N -1 0 368.231 2.958 20 30 FFEDRM C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000736629736 600304722 /nfs/dbraw/zinc/30/47/22/600304722.db2.gz NHNLFBREVXHDAV-SNVBAGLBSA-N -1 0 371.780 2.726 20 30 FFEDRM N#CCN(CC(=O)[O-])C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000739085896 600403803 /nfs/dbraw/zinc/40/38/03/600403803.db2.gz DSYJFMFRYQVOFY-UHFFFAOYSA-N -1 0 369.324 2.879 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736113757 600417692 /nfs/dbraw/zinc/41/76/92/600417692.db2.gz DLOGVKGDSXWEJV-UHFFFAOYSA-N -1 0 368.389 2.513 20 30 FFEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2C(=O)[O-])c1C#N ZINC000738252704 600436725 /nfs/dbraw/zinc/43/67/25/600436725.db2.gz HSCKWGQEUGCDBZ-QGZVFWFLSA-N -1 0 372.469 2.969 20 30 FFEDRM CN(C(=O)c1cc2ccccc2n1CC#N)c1nc(CC(=O)[O-])cs1 ZINC000737336998 600470807 /nfs/dbraw/zinc/47/08/07/600470807.db2.gz RTUKBIPYAIDGLO-UHFFFAOYSA-N -1 0 354.391 2.525 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000736848946 600533111 /nfs/dbraw/zinc/53/31/11/600533111.db2.gz OVCIIWHRIIIOQD-ZDUSSCGKSA-N -1 0 357.366 2.658 20 30 FFEDRM CCc1nc(CN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cs1 ZINC000737280803 600565950 /nfs/dbraw/zinc/56/59/50/600565950.db2.gz VSDNNRZWMADOSG-SFHVURJKSA-N -1 0 370.478 2.521 20 30 FFEDRM N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000739129640 600569972 /nfs/dbraw/zinc/56/99/72/600569972.db2.gz ZEVTYFDRBVSOKU-GOSISDBHSA-N -1 0 350.374 2.826 20 30 FFEDRM N#Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cn1 ZINC000739103851 600571684 /nfs/dbraw/zinc/57/16/84/600571684.db2.gz CRUCCOWCBKOIHV-UHFFFAOYSA-N -1 0 364.386 2.951 20 30 FFEDRM CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000737384426 600572363 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ZINC000738015906 600615617 /nfs/dbraw/zinc/61/56/17/600615617.db2.gz LNBYKGLFMKXLDZ-HNNXBMFYSA-N -1 0 360.753 2.785 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])cc1 ZINC000739115509 600616396 /nfs/dbraw/zinc/61/63/96/600616396.db2.gz RXTUWWIFMSGSSG-INIZCTEOSA-N -1 0 365.301 2.930 20 30 FFEDRM CN(C)C(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737351410 600620782 /nfs/dbraw/zinc/62/07/82/600620782.db2.gz CDDVTWRJVBUBSG-INIZCTEOSA-N -1 0 367.361 2.634 20 30 FFEDRM CC(C)(C)[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000736243391 600645015 /nfs/dbraw/zinc/64/50/15/600645015.db2.gz FAVAKLLXNZPCLE-INIZCTEOSA-N -1 0 356.378 2.959 20 30 FFEDRM O=C1c2ccc(-c3nn[nH]n3)cc2CCC1=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000823503988 607460722 /nfs/dbraw/zinc/46/07/22/607460722.db2.gz KYJFQVHHTFOXQK-DHZHZOJOSA-N -1 0 363.333 2.693 20 30 FFEDRM N#CCCCCS(=O)(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739073550 600651048 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0 374.437 2.883 20 30 FFEDRM N#C[C@@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000833065125 601006283 /nfs/dbraw/zinc/00/62/83/601006283.db2.gz SHNXEUSQEVGJDP-RBUKOAKNSA-N -1 0 353.397 2.834 20 30 FFEDRM CCN(C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1ccc(C#N)cc1 ZINC000737060205 601112063 /nfs/dbraw/zinc/11/20/63/601112063.db2.gz HIPQJDIMVJFEQJ-UHFFFAOYSA-N -1 0 353.378 2.691 20 30 FFEDRM Cc1nn(-c2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000833012593 601240820 /nfs/dbraw/zinc/24/08/20/601240820.db2.gz NBXTYFOROIMEEM-GOSISDBHSA-N -1 0 367.405 2.965 20 30 FFEDRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC000832208846 601253233 /nfs/dbraw/zinc/25/32/33/601253233.db2.gz XSBCAHPFTZXXIW-UHFFFAOYSA-N -1 0 361.375 2.650 20 30 FFEDRM COc1ccc(C(=O)[O-])c(N[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000832178720 601266372 /nfs/dbraw/zinc/26/63/72/601266372.db2.gz KMHFXCHQFVVTQX-CYBMUJFWSA-N -1 0 357.391 2.544 20 30 FFEDRM N#CCN(CC(=O)[O-])C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000833066101 601268978 /nfs/dbraw/zinc/26/89/78/601268978.db2.gz OFZGZJAKEJVBKA-UHFFFAOYSA-N -1 0 363.826 2.807 20 30 FFEDRM N#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000833064922 601286183 /nfs/dbraw/zinc/28/61/83/601286183.db2.gz OYTMFIUIMYRARW-ZDUSSCGKSA-N -1 0 365.267 2.673 20 30 FFEDRM CO[C@H](C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831487671 601303273 /nfs/dbraw/zinc/30/32/73/601303273.db2.gz KLLNTEHWMBHRFR-PXAZEXFGSA-N -1 0 353.378 2.769 20 30 FFEDRM N#Cc1cccc([C@@H](Nc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])c1 ZINC000833074583 601304317 /nfs/dbraw/zinc/30/43/17/601304317.db2.gz BCXSNHLCHKRKAD-GOSISDBHSA-N -1 0 355.369 2.772 20 30 FFEDRM CN(CC(=O)Nc1ccccc1Cl)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830683992 601309189 /nfs/dbraw/zinc/30/91/89/601309189.db2.gz WEOQFQCTGSHOBL-KRWDZBQOSA-N -1 0 357.797 2.908 20 30 FFEDRM COc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1OC ZINC000832546145 601344854 /nfs/dbraw/zinc/34/48/54/601344854.db2.gz UHAYIDTXYJDVCI-IBGZPJMESA-N -1 0 369.373 2.877 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(C(F)(F)F)cn2)C(=O)[O-])c1 ZINC000833077196 601345286 /nfs/dbraw/zinc/34/52/86/601345286.db2.gz MYHAVVDDGBUQNY-CYBMUJFWSA-N -1 0 350.252 2.955 20 30 FFEDRM CC(=O)c1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825957005 601347315 /nfs/dbraw/zinc/34/73/15/601347315.db2.gz KOHJPBHJZMKOIR-LJQANCHMSA-N -1 0 367.357 2.899 20 30 FFEDRM COc1cccc2c1OCC(C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)=C2 ZINC000832578542 601351983 /nfs/dbraw/zinc/35/19/83/601351983.db2.gz YIPPHAFDDGLWID-SFHVURJKSA-N -1 0 365.341 2.712 20 30 FFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000830376597 601411566 /nfs/dbraw/zinc/41/15/66/601411566.db2.gz ZEXOGTNMENJNDP-UHFFFAOYSA-N -1 0 353.422 2.730 20 30 FFEDRM COCCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000831719904 601450765 /nfs/dbraw/zinc/45/07/65/601450765.db2.gz ZVOPIVOSODCOJQ-UHFFFAOYSA-N -1 0 370.430 2.883 20 30 FFEDRM Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832859202 601532498 /nfs/dbraw/zinc/53/24/98/601532498.db2.gz IQRPQPMHJKTDLB-UHFFFAOYSA-N -1 0 352.390 2.911 20 30 FFEDRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000832863778 601539220 /nfs/dbraw/zinc/53/92/20/601539220.db2.gz VDVVHEXEQVRDKX-GOSISDBHSA-N -1 0 351.406 2.949 20 30 FFEDRM N#CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833068149 601588018 /nfs/dbraw/zinc/58/80/18/601588018.db2.gz QQSYSPANUBNQNW-KRWDZBQOSA-N -1 0 358.781 2.727 20 30 FFEDRM N#Cc1ccccc1COc1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc1 ZINC000833075357 601588831 /nfs/dbraw/zinc/58/88/31/601588831.db2.gz QWSBRLHDRLQWTP-SFHVURJKSA-N -1 0 350.374 2.730 20 30 FFEDRM COC[C@](C)(NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000831623891 601696565 /nfs/dbraw/zinc/69/65/65/601696565.db2.gz ZLFAVCMDIFJUIC-IBGZPJMESA-N -1 0 353.378 2.521 20 30 FFEDRM Cc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC000832860665 601717079 /nfs/dbraw/zinc/71/70/79/601717079.db2.gz IYTZFBLKDLKZDY-IBGZPJMESA-N -1 0 355.369 2.605 20 30 FFEDRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000833159810 601722713 /nfs/dbraw/zinc/72/27/13/601722713.db2.gz JHXCFQLTLXHLOA-IBGZPJMESA-N -1 0 353.353 2.512 20 30 FFEDRM Cc1nc(-c2ccc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)n[nH]1 ZINC000833021030 601732284 /nfs/dbraw/zinc/73/22/84/601732284.db2.gz GEAWBWUCNBTWEU-INIZCTEOSA-N -1 0 362.345 2.635 20 30 FFEDRM C=CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(OC)c1 ZINC000825705827 601753313 /nfs/dbraw/zinc/75/33/13/601753313.db2.gz STJQESMICFXTEL-IBGZPJMESA-N -1 0 361.438 2.952 20 30 FFEDRM N#C[C@@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833064211 601829658 /nfs/dbraw/zinc/82/96/58/601829658.db2.gz GFTWFVTVKMWXBQ-OALUTQOASA-N -1 0 353.397 2.834 20 30 FFEDRM C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827760238 601842574 /nfs/dbraw/zinc/84/25/74/601842574.db2.gz GUJFCHVJPYJQRN-JTQLQIEISA-N -1 0 364.810 2.949 20 30 FFEDRM N#Cc1cccc([C@H](NCc2nnc(-c3ccccc3)s2)C(=O)[O-])c1 ZINC000833074657 601853306 /nfs/dbraw/zinc/85/33/06/601853306.db2.gz CUIGSNQWVTWRPT-INIZCTEOSA-N -1 0 350.403 2.992 20 30 FFEDRM Cc1ccc(OS(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1 ZINC000832951213 601982274 /nfs/dbraw/zinc/98/22/74/601982274.db2.gz HDGVSLDWMRJIOF-UHFFFAOYSA-N -1 0 353.302 2.611 20 30 FFEDRM C=CCN(CC(=O)OCC)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825682380 602120682 /nfs/dbraw/zinc/12/06/82/602120682.db2.gz YQJDGWOJVHIBNN-UHFFFAOYSA-N -1 0 374.315 2.987 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832876792 602282258 /nfs/dbraw/zinc/28/22/58/602282258.db2.gz OXHAMNPYBRAOAM-HUUCEWRRSA-N -1 0 360.410 2.593 20 30 FFEDRM CC(C)N(CCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000738838747 602358010 /nfs/dbraw/zinc/35/80/10/602358010.db2.gz RQYDLVDAAJBHMV-UHFFFAOYSA-N -1 0 359.426 2.707 20 30 FFEDRM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739028338 602469599 /nfs/dbraw/zinc/46/95/99/602469599.db2.gz VSCYYGKXEICIFG-DZGCQCFKSA-N -1 0 354.410 2.673 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1OC ZINC000737533060 602524567 /nfs/dbraw/zinc/52/45/67/602524567.db2.gz PLQLFFAVCVLPQT-SOFGYWHQSA-N -1 0 374.437 2.874 20 30 FFEDRM N#CCCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740306937 602662047 /nfs/dbraw/zinc/66/20/47/602662047.db2.gz MWFMZYNFRDGIHY-UHFFFAOYSA-N -1 0 372.303 2.544 20 30 FFEDRM N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(OC(F)(F)F)cc1 ZINC000738422054 602676349 /nfs/dbraw/zinc/67/63/49/602676349.db2.gz HLIWEOKTHFATBE-DGCLKSJQSA-N -1 0 371.315 2.656 20 30 FFEDRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000739315224 602676874 /nfs/dbraw/zinc/67/68/74/602676874.db2.gz WXDAMJHDGDZLFM-NWDGAFQWSA-N -1 0 359.304 2.702 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738489916 602717758 /nfs/dbraw/zinc/71/77/58/602717758.db2.gz LCGXOSWAKGGOOA-INIZCTEOSA-N -1 0 361.442 2.783 20 30 FFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738852457 602720056 /nfs/dbraw/zinc/72/00/56/602720056.db2.gz GLIGTZHFTMUYNH-KRWDZBQOSA-N -1 0 358.442 2.868 20 30 FFEDRM N#C[C@H](COC(=O)c1csc(CNC(=O)[O-])n1)Cc1ccc(F)cc1 ZINC000740303638 602728110 /nfs/dbraw/zinc/72/81/10/602728110.db2.gz LUKYAYGDTJBTND-LLVKDONJSA-N -1 0 363.370 2.589 20 30 FFEDRM N#Cc1ccc(CSCC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])cc1 ZINC000740314666 602787219 /nfs/dbraw/zinc/78/72/19/602787219.db2.gz GXUQGDNOJKTHRS-HZPDHXFCSA-N -1 0 361.467 2.734 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739207707 602835718 /nfs/dbraw/zinc/83/57/18/602835718.db2.gz HQUJKKXFBVQHAX-UNEWFSDZSA-N -1 0 374.441 2.555 20 30 FFEDRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1O)C(=O)Nc1cccc(C#N)c1 ZINC000739044192 602883417 /nfs/dbraw/zinc/88/34/17/602883417.db2.gz SYSLCVCMFGMSIH-SNVBAGLBSA-N -1 0 369.333 2.538 20 30 FFEDRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000740573266 602948661 /nfs/dbraw/zinc/94/86/61/602948661.db2.gz HSVPEBLGACBWKU-KGLIPLIRSA-N -1 0 354.328 2.609 20 30 FFEDRM CN(C)c1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)NC(=O)[O-])cc1 ZINC000828063965 603032918 /nfs/dbraw/zinc/03/29/18/603032918.db2.gz KQGAZCJKZMBNKW-GOSISDBHSA-N -1 0 366.421 2.557 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])o1 ZINC000831156539 603127500 /nfs/dbraw/zinc/12/75/00/603127500.db2.gz BKWABKWPZIVEJF-AWEZNQCLSA-N -1 0 369.377 2.602 20 30 FFEDRM CN(C[C@H]1CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000828235133 603204849 /nfs/dbraw/zinc/20/48/49/603204849.db2.gz CVGJRLMMDXJLJZ-CYBMUJFWSA-N -1 0 355.354 2.593 20 30 FFEDRM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1cc2ccccc2n1CC#N ZINC000738803948 603221819 /nfs/dbraw/zinc/22/18/19/603221819.db2.gz DOKOECVLIGABKG-LJQANCHMSA-N -1 0 356.426 2.967 20 30 FFEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823463695 603348383 /nfs/dbraw/zinc/34/83/83/603348383.db2.gz VCGIBRQQWIVPPS-QWHCGFSZSA-N -1 0 363.389 2.738 20 30 FFEDRM C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823463452 603348424 /nfs/dbraw/zinc/34/84/24/603348424.db2.gz PWKOMPPGMMMZDM-MRXNPFEDSA-N -1 0 371.368 2.968 20 30 FFEDRM N#Cc1nnc2ccccc2c1NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000740324929 603401172 /nfs/dbraw/zinc/40/11/72/603401172.db2.gz RAYJCWANZPYISK-UHFFFAOYSA-N -1 0 362.393 2.879 20 30 FFEDRM C[C@@H](CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1cccc(C(F)(F)F)c1 ZINC000824589345 603595818 /nfs/dbraw/zinc/59/58/18/603595818.db2.gz BSGWBLAHFNUHSK-SMDDNHRTSA-N -1 0 369.343 2.913 20 30 FFEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000831087391 603599173 /nfs/dbraw/zinc/59/91/73/603599173.db2.gz LHYHSBCTNGJCHT-SECBINFHSA-N -1 0 367.192 2.803 20 30 FFEDRM CC(C)(CNC(=O)c1cccc(COc2ccccc2C#N)c1)NC(=O)[O-] ZINC000824001986 603658135 /nfs/dbraw/zinc/65/81/35/603658135.db2.gz QMOQJXGNBKRTCV-UHFFFAOYSA-N -1 0 367.405 2.913 20 30 FFEDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000824191742 603658905 /nfs/dbraw/zinc/65/89/05/603658905.db2.gz VZRVJUSIVSTNHY-MRXNPFEDSA-N -1 0 358.442 2.915 20 30 FFEDRM C=CCOc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)[O-])cc1OC ZINC000823516835 603693921 /nfs/dbraw/zinc/69/39/21/603693921.db2.gz WPGBPVVVXUADHR-DZGCQCFKSA-N -1 0 362.426 2.768 20 30 FFEDRM C#CCN(C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1OC)C1CCCC1 ZINC000823451445 603755351 /nfs/dbraw/zinc/75/53/51/603755351.db2.gz VLCXOZOYXBDFBP-MRXNPFEDSA-N -1 0 359.426 2.591 20 30 FFEDRM CC(C)(CNC(=O)[O-])C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000823947468 603783149 /nfs/dbraw/zinc/78/31/49/603783149.db2.gz UYHFTWVFKKMXJT-SECBINFHSA-N -1 0 350.325 2.901 20 30 FFEDRM Cc1nc2sccc2c(=O)n1N=Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000830804372 603821182 /nfs/dbraw/zinc/82/11/82/603821182.db2.gz GOPXUZQSBKHHEB-UHFFFAOYSA-N -1 0 354.391 2.689 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000828351244 603885026 /nfs/dbraw/zinc/88/50/26/603885026.db2.gz ZUTPHUOPPWCGDK-KRWDZBQOSA-N -1 0 352.394 2.709 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1=S ZINC000823522154 603922551 /nfs/dbraw/zinc/92/25/51/603922551.db2.gz UMDMJHAABAPMLE-KGLIPLIRSA-N -1 0 363.487 2.652 20 30 FFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829077830 603943488 /nfs/dbraw/zinc/94/34/88/603943488.db2.gz WKNQPUQJSNLIFA-UHFFFAOYSA-N -1 0 367.361 2.625 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1=S ZINC000823522119 604023183 /nfs/dbraw/zinc/02/31/83/604023183.db2.gz SBHAVQYPHYWUNO-GXTWGEPZSA-N -1 0 365.503 2.803 20 30 FFEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000831082778 604068458 /nfs/dbraw/zinc/06/84/58/604068458.db2.gz QWSOQVKGUMROLR-QGZVFWFLSA-N -1 0 365.389 2.517 20 30 FFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000831086100 604075130 /nfs/dbraw/zinc/07/51/30/604075130.db2.gz BVKDIYLLWUETJI-ZDUSSCGKSA-N -1 0 368.368 2.579 20 30 FFEDRM Cn1c2ccccc2c2cc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)sc21 ZINC000830985025 604087232 /nfs/dbraw/zinc/08/72/32/604087232.db2.gz KQGHCYMACGMBKJ-LLVKDONJSA-N -1 0 368.418 2.721 20 30 FFEDRM N#C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000831070487 604162251 /nfs/dbraw/zinc/16/22/51/604162251.db2.gz LVROEYHITIUPAK-GFCCVEGCSA-N -1 0 355.316 2.967 20 30 FFEDRM N#Cc1cnc2ccccc2c1N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831162260 604163664 /nfs/dbraw/zinc/16/36/64/604163664.db2.gz ZIZDPCOIFYVDDG-UHFFFAOYSA-N -1 0 354.410 2.750 20 30 FFEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@H](NC(=O)[O-])C1 ZINC000831161932 604216748 /nfs/dbraw/zinc/21/67/48/604216748.db2.gz QLCDSUDBBKNXOC-NSHDSACASA-N -1 0 362.336 2.944 20 30 FFEDRM N#CCCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000833065739 604306650 /nfs/dbraw/zinc/30/66/50/604306650.db2.gz KSJOFPCHUMMPOV-UHFFFAOYSA-N -1 0 370.336 2.856 20 30 FFEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000826090474 604386564 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605594688 /nfs/dbraw/zinc/59/46/88/605594688.db2.gz QJRHQAFXJNOOAZ-UHFFFAOYSA-N -1 0 355.394 2.688 20 30 FFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccccc3NC(=O)[O-])n2)c1 ZINC000833074129 605655776 /nfs/dbraw/zinc/65/57/76/605655776.db2.gz PQCSGIRVMMCWSF-UHFFFAOYSA-N -1 0 361.361 2.968 20 30 FFEDRM C=CCOCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833375487 605710273 /nfs/dbraw/zinc/71/02/73/605710273.db2.gz AIONCKAIASIWLE-UHFFFAOYSA-N -1 0 361.167 2.611 20 30 FFEDRM COc1ccc(C#N)cc1COC(=O)[C@H](NC(=O)[O-])c1ccccc1OC ZINC000829260506 605813244 /nfs/dbraw/zinc/81/32/44/605813244.db2.gz UBBLCVMKTUTJHW-QGZVFWFLSA-N -1 0 370.361 2.628 20 30 FFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000833478125 605864052 /nfs/dbraw/zinc/86/40/52/605864052.db2.gz BVGOLPXGJYWDKM-ZDUSSCGKSA-N -1 0 359.361 2.504 20 30 FFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833788206 605906858 /nfs/dbraw/zinc/90/68/58/605906858.db2.gz QMONJQPLUZJZNE-MRXNPFEDSA-N -1 0 373.409 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C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc(Br)c2)CC1 ZINC000870838009 731564074 /nfs/dbraw/zinc/56/40/74/731564074.db2.gz IBYAZADGKDRWQH-JTQLQIEISA-N -1 0 358.257 2.717 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(C)(F)CC3)cc2[n-]c1=S ZINC000871074089 731592825 /nfs/dbraw/zinc/59/28/25/731592825.db2.gz IJJCPOBRFKBPDD-UHFFFAOYSA-N -1 0 361.442 2.835 20 30 FFEDRM CC1(C#N)CCN(S(=O)(=O)c2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC000871936736 731704788 /nfs/dbraw/zinc/70/47/88/731704788.db2.gz MYVHQYCXBZDYFJ-UHFFFAOYSA-N -1 0 358.419 2.852 20 30 FFEDRM CN(CC(C)(C)C#N)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871967602 731709115 /nfs/dbraw/zinc/70/91/15/731709115.db2.gz YOURTTXTHIJTDM-UHFFFAOYSA-N -1 0 365.238 2.862 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)nn1CCC#N ZINC000872360951 731756080 /nfs/dbraw/zinc/75/60/80/731756080.db2.gz WWGURJVEFOUZTH-UHFFFAOYSA-N -1 0 358.345 2.983 20 30 FFEDRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C#N)cnn1C1CCOCC1 ZINC000872372768 731758167 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369.446 2.579 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(N2CCCC2=O)c1 ZINC000127382732 965231372 /nfs/dbraw/zinc/23/13/72/965231372.db2.gz ZBSLLNJNOHQIRQ-KRWDZBQOSA-N -1 0 353.422 2.585 20 30 FFEDRM O=C(CCc1ccccc1)N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000255498362 966405158 /nfs/dbraw/zinc/40/51/58/966405158.db2.gz CIDQCUSMQLFQEY-OJSPLJLUSA-N -1 0 367.405 2.953 20 30 FFEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000179327988 968607554 /nfs/dbraw/zinc/60/75/54/968607554.db2.gz PYAYIXBQQXEAGF-LBPRGKRZSA-N -1 0 372.450 2.722 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(F)cc2C)nn1 ZINC000179487799 968809166 /nfs/dbraw/zinc/80/91/66/968809166.db2.gz BHHMOCXRCUMWII-HNNXBMFYSA-N -1 0 371.416 2.734 20 30 FFEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1nnc2n1CCCCC2 ZINC000892550547 969469415 /nfs/dbraw/zinc/46/94/15/969469415.db2.gz MZVFNQWPNTYDLC-CYBMUJFWSA-N -1 0 370.482 2.941 20 30 FFEDRM C#Cc1ccccc1Cc1nc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)no1 ZINC001609623955 970424787 /nfs/dbraw/zinc/42/47/87/970424787.db2.gz PNPCAHJNEMANPL-AWEZNQCLSA-N -1 0 371.393 2.682 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001609626354 970428188 /nfs/dbraw/zinc/42/81/88/970428188.db2.gz WVASSTZJGZVRDF-UHFFFAOYSA-N -1 0 356.426 2.831 20 30 FFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1ccc2c(c1)CCC2 ZINC000122613885 970542154 /nfs/dbraw/zinc/54/21/54/970542154.db2.gz GJSUBDWKXCCVSM-KRWDZBQOSA-N -1 0 351.406 2.660 20 30 FFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1C ZINC001605237832 972993016 /nfs/dbraw/zinc/99/30/16/972993016.db2.gz MLSXADRQSSZVMZ-WKILWMFISA-N -1 0 366.421 2.674 20 30 FFEDRM Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1C ZINC001605284776 973084249 /nfs/dbraw/zinc/08/42/49/973084249.db2.gz PJZWYXHRBREIPT-DNVCBOLYSA-N -1 0 357.454 2.735 20 30 FFEDRM C[C@@H]1Cc2c(sc(NC(=O)c3ccc(C#N)nc3)c2C(=O)[O-])[C@@H](C)O1 ZINC001603476901 973372485 /nfs/dbraw/zinc/37/24/85/973372485.db2.gz 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N#Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1Br ZINC001605617418 973932415 /nfs/dbraw/zinc/93/24/15/973932415.db2.gz BHCZCYLKCVBPEW-AWEZNQCLSA-N -1 0 359.179 2.876 20 30 FFEDRM N#Cc1ccccc1N1CCC(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC001605620045 973942481 /nfs/dbraw/zinc/94/24/81/973942481.db2.gz SNZNETJWSKEPSS-VURMDHGXSA-N -1 0 365.389 2.648 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000136623225 974487346 /nfs/dbraw/zinc/48/73/46/974487346.db2.gz NEZCFTSOOFIQGM-CQSZACIVSA-N -1 0 367.430 2.934 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000178475729 975129268 /nfs/dbraw/zinc/12/92/68/975129268.db2.gz QTNFIACOJREHDW-INIZCTEOSA-N -1 0 360.373 2.599 20 30 FFEDRM CC(C)OC[C@@H](C(=O)[O-])N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001591711976 975601399 /nfs/dbraw/zinc/60/13/99/975601399.db2.gz KUAYNHBIXIBQEV-HNNXBMFYSA-N -1 0 359.344 2.747 20 30 FFEDRM CC(C)Oc1ccc(NC(=S)NN=Cc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591788848 975977466 /nfs/dbraw/zinc/97/74/66/975977466.db2.gz XSIYKENEHNKPKW-UHFFFAOYSA-N -1 0 360.439 2.831 20 30 FFEDRM CC(C)Oc1ccccc1C(F)(F)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591795766 976002031 /nfs/dbraw/zinc/00/20/31/976002031.db2.gz JUYJCLYMEYUWBB-UHFFFAOYSA-N -1 0 366.364 2.783 20 30 FFEDRM N#Cc1cc(F)ccc1NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001126857905 976338603 /nfs/dbraw/zinc/33/86/03/976338603.db2.gz NKTOSELIYKQMFC-UHFFFAOYSA-N -1 0 355.247 2.721 20 30 FFEDRM CC(C)=CCOc1cccc(CC(=O)C(C#N)=C([O-])c2nccn2C)c1 ZINC000842323705 977299999 /nfs/dbraw/zinc/29/99/99/977299999.db2.gz QGHGQHDJHRYQDD-QGZVFWFLSA-N -1 0 351.406 2.899 20 30 FFEDRM C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1cccc(C#N)c1 ZINC000833518654 979196972 /nfs/dbraw/zinc/19/69/72/979196972.db2.gz DOHLCLXLJPATIE-JTQLQIEISA-N -1 0 370.340 2.603 20 30 FFEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-] ZINC001592845467 979614033 /nfs/dbraw/zinc/61/40/33/979614033.db2.gz BNYFLYJXFXRXDK-SFHVURJKSA-N -1 0 362.307 2.791 20 30 FFEDRM C=CCOc1cccnc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262777055 979903351 /nfs/dbraw/zinc/90/33/51/979903351.db2.gz ATRFNWUIIRMLGL-HZPDHXFCSA-N -1 0 352.390 2.587 20 30 FFEDRM CC(=O)CCc1ccc2oc(C(=O)N=c3[n-]n(C)c(C)c3C#N)c(C)c2c1 ZINC000648433512 979926801 /nfs/dbraw/zinc/92/68/01/979926801.db2.gz BAWQLJSTWXCVMD-UHFFFAOYSA-N -1 0 364.405 2.851 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2oc(C3CC3)nc2C)cc1 ZINC000760195058 980200722 /nfs/dbraw/zinc/20/07/22/980200722.db2.gz FAIQTLBRFHWIFE-HNNXBMFYSA-N -1 0 353.378 2.508 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)C(=O)[O-] ZINC000262951538 980212500 /nfs/dbraw/zinc/21/25/00/980212500.db2.gz IMGBHXYFFYRSHI-CQSZACIVSA-N -1 0 373.409 2.609 20 30 FFEDRM C=CCCC[C@H](NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000905054548 980372683 /nfs/dbraw/zinc/37/26/83/980372683.db2.gz WVYUFULPDGONKI-HNNXBMFYSA-N -1 0 365.405 2.593 20 30 FFEDRM C=CCCC[C@H](NC(=O)NCc1cn(C)nc1-c1ccccc1)C(=O)[O-] ZINC000905527058 980463128 /nfs/dbraw/zinc/46/31/28/980463128.db2.gz XOQYACVYQFBYPU-INIZCTEOSA-N -1 0 356.426 2.696 20 30 FFEDRM CC[C@@](O)(CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001595321670 980509791 /nfs/dbraw/zinc/50/97/91/980509791.db2.gz MAEHQBWDSINJKA-AZUAARDMSA-N -1 0 353.374 2.915 20 30 FFEDRM COc1cc(OC)c2ncc(C#N)c(N3C[C@H](C)C[C@@H](C(=O)[O-])C3)c2c1 ZINC000263252519 980621510 /nfs/dbraw/zinc/62/15/10/980621510.db2.gz SYHOMKBJHWSOHZ-VXGBXAGGSA-N -1 0 355.394 2.671 20 30 FFEDRM CCC1=C(C(=O)C(=O)[O-])[C@H](c2cscn2)NC(=O)N1Cc1ccccc1 ZINC001595398054 980968387 /nfs/dbraw/zinc/96/83/87/980968387.db2.gz ANHUXHSUVMTQHD-HNNXBMFYSA-N -1 0 371.418 2.727 20 30 FFEDRM CC[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595444373 981088152 /nfs/dbraw/zinc/08/81/52/981088152.db2.gz NWYQLEOEBNXBQS-ZFWWWQNUSA-N -1 0 350.440 2.846 20 30 FFEDRM N#CC1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCSCC1 ZINC000907841610 981312787 /nfs/dbraw/zinc/31/27/87/981312787.db2.gz KJHSCEJYAXVGGB-UHFFFAOYSA-N -1 0 373.478 2.825 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1OC ZINC000907927241 981327076 /nfs/dbraw/zinc/32/70/76/981327076.db2.gz XSEAOYDCSSAAOR-YVVDNRBHSA-N -1 0 371.433 2.889 20 30 FFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1c2ccccc2C[C@@H](C)[C@H]1C(=O)[O-] ZINC000908704604 981507556 /nfs/dbraw/zinc/50/75/56/981507556.db2.gz UKLVROXGGYRWIY-LFVTVUPYSA-N -1 0 358.438 2.829 20 30 FFEDRM C=CCCC[C@@H](NC(=O)NCc1ccccc1-c1cnn(C)c1)C(=O)[O-] ZINC000909116506 981626383 /nfs/dbraw/zinc/62/63/83/981626383.db2.gz XIWDGYZUBULSBT-QGZVFWFLSA-N -1 0 356.426 2.696 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)[O-] ZINC000909770424 981705716 /nfs/dbraw/zinc/70/57/16/981705716.db2.gz JAFDVLDZACDQIY-RHSMWYFYSA-N -1 0 370.405 2.607 20 30 FFEDRM CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595622515 981711397 /nfs/dbraw/zinc/71/13/97/981711397.db2.gz RRIHSTAAIFVAHL-HIFRSBDPSA-N -1 0 350.440 2.894 20 30 FFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1cccc(C)c1C#N ZINC001594787602 981824772 /nfs/dbraw/zinc/82/47/72/981824772.db2.gz IXCGBKDONLQWGJ-QGZVFWFLSA-N -1 0 350.440 2.521 20 30 FFEDRM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)C(=O)NC3CC3)c12 ZINC000129312533 981931685 /nfs/dbraw/zinc/93/16/85/981931685.db2.gz KCCZTSIOEJKLRB-INIZCTEOSA-N -1 0 373.416 2.545 20 30 FFEDRM CC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC001594954106 982684630 /nfs/dbraw/zinc/68/46/30/982684630.db2.gz YPWWLMUZERQITA-ZWNOBZJWSA-N -1 0 358.847 2.574 20 30 FFEDRM CC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC001594954105 982684788 /nfs/dbraw/zinc/68/47/88/982684788.db2.gz YPWWLMUZERQITA-MFKMUULPSA-N -1 0 358.847 2.574 20 30 FFEDRM CCCOc1nc2ccccc2cc1/C=C\C(=O)N(CC#N)CCC(=O)[O-] ZINC001595974949 983206330 /nfs/dbraw/zinc/20/63/30/983206330.db2.gz LXJBOYYSPCISKN-FPLPWBNLSA-N -1 0 367.405 2.864 20 30 FFEDRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912065304 983947401 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N#Cc1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1Br ZINC001574488608 1078001320 /nfs/dbraw/zinc/00/13/20/1078001320.db2.gz CXEDYLJVROUWRW-UHFFFAOYSA-N -1 0 351.200 2.838 20 30 FFEDRM CN(C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)c1nnn[n-]1 ZINC001586262451 1079586324 /nfs/dbraw/zinc/58/63/24/1079586324.db2.gz SCVFRRSDWWGIHZ-UHFFFAOYSA-N -1 0 354.757 2.794 20 30 FFEDRM N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)ccc1Cl ZINC001587155824 1079747120 /nfs/dbraw/zinc/74/71/20/1079747120.db2.gz ZOLRCEVVPDFQNF-HNNXBMFYSA-N -1 0 367.796 2.749 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC001587797665 1079867599 /nfs/dbraw/zinc/86/75/99/1079867599.db2.gz AQQDBNIZOHJSJQ-INIZCTEOSA-N -1 0 361.405 2.831 20 30 FFEDRM C#C[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588376260 1079998016 /nfs/dbraw/zinc/99/80/16/1079998016.db2.gz CGQUIVJCILKBRK-QLFBSQMISA-N -1 0 355.843 2.577 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC001588419245 1080020879 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C#CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001588499317 1080061649 /nfs/dbraw/zinc/06/16/49/1080061649.db2.gz XJQWHFYOGLAATL-FQEVSTJZSA-N -1 0 355.365 2.958 20 30 FFEDRM C#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001588518083 1080070241 /nfs/dbraw/zinc/07/02/41/1080070241.db2.gz PLJZIOLTLBPRRU-XOBRGWDASA-N -1 0 369.442 2.824 20 30 FFEDRM C=C(Br)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588529021 1080080014 /nfs/dbraw/zinc/08/00/14/1080080014.db2.gz NVCMTQKMDDUSRH-GFCCVEGCSA-N -1 0 369.263 2.755 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nccc2cc(Br)ccc21 ZINC001588539897 1080086100 /nfs/dbraw/zinc/08/61/00/1080086100.db2.gz DTACHXRYRAMHPJ-OAHLLOKOSA-N -1 0 362.183 2.940 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC001588538892 1080086636 /nfs/dbraw/zinc/08/66/36/1080086636.db2.gz PZUCJHMWSDIPQF-MRXNPFEDSA-N -1 0 370.236 2.647 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001588541927 1080087444 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C=C(CCC(=O)[O-])C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001588612794 1080121961 /nfs/dbraw/zinc/12/19/61/1080121961.db2.gz XAQVANLEZVYHPJ-CALCHBBNSA-N -1 0 374.481 2.675 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001588622290 1080124763 /nfs/dbraw/zinc/12/47/63/1080124763.db2.gz TZVBWPPMXJAATF-AWEZNQCLSA-N -1 0 367.405 2.932 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC001588622683 1080125072 /nfs/dbraw/zinc/12/50/72/1080125072.db2.gz CCUROECGEIQEPK-MRXNPFEDSA-N -1 0 351.406 2.538 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001588642600 1080135950 /nfs/dbraw/zinc/13/59/50/1080135950.db2.gz WZAVNYCYBRTHHG-NSHDSACASA-N -1 0 372.805 2.630 20 30 FFEDRM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1c([O-])cccc1F ZINC001588649635 1080140095 /nfs/dbraw/zinc/14/00/95/1080140095.db2.gz WRVBSZNROXNSTM-UHFFFAOYSA-N -1 0 353.357 2.540 20 30 FFEDRM C=CC[C@H](C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588731928 1080175324 /nfs/dbraw/zinc/17/53/24/1080175324.db2.gz QTJILZKOZMMXDR-YOEHRIQHSA-N -1 0 359.422 2.601 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588744225 1080178955 /nfs/dbraw/zinc/17/89/55/1080178955.db2.gz ISQWESNHPHPLMC-OAHLLOKOSA-N -1 0 363.410 2.990 20 30 FFEDRM C=CCC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001588768712 1080186806 /nfs/dbraw/zinc/18/68/06/1080186806.db2.gz BUFVBMPASUWLPD-UHFFFAOYSA-N -1 0 363.370 2.536 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588770963 1080188150 /nfs/dbraw/zinc/18/81/50/1080188150.db2.gz KNPPKNMLYCFZCA-XJKSGUPXSA-N -1 0 367.467 2.944 20 30 FFEDRM C=CC[C@H]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001588772453 1080189566 /nfs/dbraw/zinc/18/95/66/1080189566.db2.gz FZEOENNYXYWISF-VIFPVBQESA-N -1 0 354.765 2.540 20 30 FFEDRM C=CCC[C@H](O)CN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588778518 1080192269 /nfs/dbraw/zinc/19/22/69/1080192269.db2.gz 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FFEDRM CC(C)(C)c1nc(=NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)s[n-]1 ZINC000609098345 520190384 /nfs/dbraw/zinc/19/03/84/520190384.db2.gz DKJAARVKZJEDKX-AWEZNQCLSA-N -1 0 355.467 2.737 20 30 FFEDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000609106296 520192018 /nfs/dbraw/zinc/19/20/18/520192018.db2.gz CGMUNLICMAUTOX-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)cn1 ZINC000609218823 520236025 /nfs/dbraw/zinc/23/60/25/520236025.db2.gz GPKZAQBDNLWYGO-UHFFFAOYSA-N -1 0 366.402 2.728 20 30 FFEDRM N#Cc1cc(F)c(N2CCC[C@@H](c3n[n-]c(=N)o3)C2)cc1Br ZINC000603413735 520255529 /nfs/dbraw/zinc/25/55/29/520255529.db2.gz LCHDIDLQHHAJLO-MRVPVSSYSA-N -1 0 366.194 2.639 20 30 FFEDRM N#CC1(CC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCOCC1 ZINC000595282162 520382813 /nfs/dbraw/zinc/38/28/13/520382813.db2.gz WLDLRWGDAGXFOC-UHFFFAOYSA-N -1 0 356.422 2.801 20 30 FFEDRM COc1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)ccc1Br ZINC000600826156 520490190 /nfs/dbraw/zinc/49/01/90/520490190.db2.gz PSGRWWXLDCAYKR-UHFFFAOYSA-N -1 0 361.199 2.604 20 30 FFEDRM Cc1c(C#N)c(=NC(=O)C2(Cc3ccccc3Br)CC2)[n-]n1C ZINC000592650814 520503414 /nfs/dbraw/zinc/50/34/14/520503414.db2.gz QEFNTJSOAPLCLK-UHFFFAOYSA-N -1 0 373.254 2.746 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([S@@](C)=O)c2)n1 ZINC000613760408 520662405 /nfs/dbraw/zinc/66/24/05/520662405.db2.gz VWHAJAPSKDDISH-OIRASMEMSA-N -1 0 362.432 2.547 20 30 FFEDRM CCN(Cc1cccc(Br)c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610560503 520739365 /nfs/dbraw/zinc/73/93/65/520739365.db2.gz DPBIJVZZEJICAJ-UHFFFAOYSA-N -1 0 362.231 2.530 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[n-]1 ZINC000610561015 520739684 /nfs/dbraw/zinc/73/96/84/520739684.db2.gz CKZUZCGWKDEPHO-UHFFFAOYSA-N -1 0 367.359 2.903 20 30 FFEDRM COc1ccc(C2(CNC(=O)N=c3[n-]n(C)cc3C#N)CCCCC2)cc1 ZINC000610563341 520740421 /nfs/dbraw/zinc/74/04/21/520740421.db2.gz ZXARHOLIXWVASJ-UHFFFAOYSA-N -1 0 367.453 2.746 20 30 FFEDRM COc1ccc(-c2ccc(CNC(=O)N=c3[n-]n(C)cc3C#N)cc2)cc1 ZINC000610565405 520740887 /nfs/dbraw/zinc/74/08/87/520740887.db2.gz VFPIPLZMWZMVMX-UHFFFAOYSA-N -1 0 361.405 2.711 20 30 FFEDRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610561957 520741077 /nfs/dbraw/zinc/74/10/77/520741077.db2.gz TVGDWQVYAZJPMV-SNVBAGLBSA-N -1 0 351.332 2.957 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)[n-]1 ZINC000610634301 520774283 /nfs/dbraw/zinc/77/42/83/520774283.db2.gz ADMSZQPJEKAREB-UHFFFAOYSA-N -1 0 350.209 2.611 20 30 FFEDRM COC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1C ZINC000610706572 520805537 /nfs/dbraw/zinc/80/55/37/520805537.db2.gz SZYNOLYIKXKSRI-UHFFFAOYSA-N -1 0 366.345 2.732 20 30 FFEDRM CC(C)(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCCCO1 ZINC000610715883 520812417 /nfs/dbraw/zinc/81/24/17/520812417.db2.gz XGEGLICJSSGTTK-CQSZACIVSA-N -1 0 358.410 2.710 20 30 FFEDRM CC(C)(C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000610715882 520812462 /nfs/dbraw/zinc/81/24/62/520812462.db2.gz XGEGLICJSSGTTK-AWEZNQCLSA-N -1 0 358.410 2.710 20 30 FFEDRM CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593198279 520820238 /nfs/dbraw/zinc/82/02/38/520820238.db2.gz JMRZULAXDKKAKA-UHFFFAOYSA-N -1 0 371.462 2.957 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000595999260 520848296 /nfs/dbraw/zinc/84/82/96/520848296.db2.gz LEZGUZMAJUIOLK-UHFFFAOYSA-N -1 0 359.426 2.502 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)cc1C#N ZINC000596020163 520863313 /nfs/dbraw/zinc/86/33/13/520863313.db2.gz CQHYKRORTVFIFB-HNNXBMFYSA-N -1 0 365.361 2.849 20 30 FFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)cc1 ZINC000593280523 520877962 /nfs/dbraw/zinc/87/79/62/520877962.db2.gz YZYXPSUSRXVTQO-ZDUSSCGKSA-N -1 0 374.466 2.906 20 30 FFEDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)s1 ZINC000611437797 521157526 /nfs/dbraw/zinc/15/75/26/521157526.db2.gz HOLHMDHNPJNAKX-NSHDSACASA-N -1 0 363.464 2.926 20 30 FFEDRM C[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000593700828 521166195 /nfs/dbraw/zinc/16/61/95/521166195.db2.gz BIMMFQYTMFXPIT-XOBRGWDASA-N -1 0 351.406 2.961 20 30 FFEDRM N#CCC1CN(C(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)C1 ZINC000596636996 521181419 /nfs/dbraw/zinc/18/14/19/521181419.db2.gz DYCJQEQGMMNFBW-UHFFFAOYSA-N -1 0 363.443 2.769 20 30 FFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596651674 521190519 /nfs/dbraw/zinc/19/05/19/521190519.db2.gz RYKLCVQPEDQLQV-INIZCTEOSA-N -1 0 361.398 2.793 20 30 FFEDRM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)nc1 ZINC000599410712 521203972 /nfs/dbraw/zinc/20/39/72/521203972.db2.gz OTDSUVNWXJNUKQ-UHFFFAOYSA-N -1 0 365.405 2.796 20 30 FFEDRM COc1ccc(-n2cc([O-])c(C(=O)N[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000611528632 521204970 /nfs/dbraw/zinc/20/49/70/521204970.db2.gz VKBDEACPHIXULP-CYBMUJFWSA-N -1 0 362.389 2.949 20 30 FFEDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618891673 521280393 /nfs/dbraw/zinc/28/03/93/521280393.db2.gz BWTLZUXMWFIVJL-QGZVFWFLSA-N -1 0 369.446 2.737 20 30 FFEDRM CO[C@H](C)c1nc(=NC(=O)NC2(c3ccc(C#N)cc3)CCC2)s[n-]1 ZINC000594109992 521409908 /nfs/dbraw/zinc/40/99/08/521409908.db2.gz APPDSCNRNBYABB-LLVKDONJSA-N -1 0 357.439 2.740 20 30 FFEDRM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)C1 ZINC000612306574 521568114 /nfs/dbraw/zinc/56/81/14/521568114.db2.gz UJTXBCNDSVVWRD-QGZVFWFLSA-N -1 0 359.430 2.847 20 30 FFEDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000619463703 521582994 /nfs/dbraw/zinc/58/29/94/521582994.db2.gz PPLLEIAENVKNAV-UHFFFAOYSA-N -1 0 362.382 2.869 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)[n-]1 ZINC000619556393 521767076 /nfs/dbraw/zinc/76/70/76/521767076.db2.gz XPLZHUWDFFWYRZ-WCQYABFASA-N -1 0 350.209 2.698 20 30 FFEDRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000634893600 521797430 /nfs/dbraw/zinc/79/74/30/521797430.db2.gz VPSIXMYGHGSWLC-GJZGRUSLSA-N -1 0 351.324 2.840 20 30 FFEDRM C=C(C)[C@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000635515566 522329145 /nfs/dbraw/zinc/32/91/45/522329145.db2.gz UNPOFEJTMHTNMZ-MAUKXSAKSA-N -1 0 368.380 2.715 20 30 FFEDRM C=CCc1ccc(OCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC000630276433 522760629 /nfs/dbraw/zinc/76/06/29/522760629.db2.gz VASIBFYZFVUNER-ULQDDVLXSA-N -1 0 373.449 2.904 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)c(OC)c(OC)c1)C(=O)[O-] ZINC000630320276 522788215 /nfs/dbraw/zinc/78/82/15/522788215.db2.gz SDCQVQGQSLFEFI-LLVKDONJSA-N -1 0 372.215 2.616 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)C(=O)[O-] ZINC000630320973 522788349 /nfs/dbraw/zinc/78/83/49/522788349.db2.gz CXNNFCQHEWDWJJ-SNVBAGLBSA-N -1 0 350.362 2.716 20 30 FFEDRM C=C(C)C[C@H](NC(=O)[C@H](OC)c1ccccc1Br)C(=O)[O-] ZINC000630321043 522788436 /nfs/dbraw/zinc/78/84/36/522788436.db2.gz DVCYXHAMZXLANI-QWHCGFSZSA-N -1 0 356.216 2.672 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)C(=O)[O-] ZINC000630320159 522789085 /nfs/dbraw/zinc/78/90/85/522789085.db2.gz QBOBTRPQQPTGFP-OAHLLOKOSA-N -1 0 350.390 2.960 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)[O-] ZINC000630325133 522791344 /nfs/dbraw/zinc/79/13/44/522791344.db2.gz IDJKIJAUKYFANZ-AWEZNQCLSA-N -1 0 361.373 2.652 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CCc1nc(-c2ccc(OCC)cc2)no1)C(=O)[O-] ZINC000630324460 522791456 /nfs/dbraw/zinc/79/14/56/522791456.db2.gz DUONRRSHAHJVJD-HNNXBMFYSA-N -1 0 373.409 2.604 20 30 FFEDRM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000633899198 523051535 /nfs/dbraw/zinc/05/15/35/523051535.db2.gz DYWNAVMMXQPHTL-CHWSQXEVSA-N -1 0 371.466 2.763 20 30 FFEDRM C=CCOc1c(Cl)cc(CN=c2[n-]nc(COCC)o2)cc1OC ZINC000630952266 523268930 /nfs/dbraw/zinc/26/89/30/523268930.db2.gz CIUOCCUFJDDCEL-UHFFFAOYSA-N -1 0 353.806 2.867 20 30 FFEDRM Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)CC2 ZINC000611360839 554627946 /nfs/dbraw/zinc/62/79/46/554627946.db2.gz FVTPRIOIRIGJAG-INIZCTEOSA-N -1 0 365.437 2.560 20 30 FFEDRM C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H](CC(=O)[O-])C2)c1=S ZINC000817685996 597227782 /nfs/dbraw/zinc/22/77/82/597227782.db2.gz WTEOAMCKSNKMIV-CQSZACIVSA-N -1 0 373.482 2.806 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000819873900 597616553 /nfs/dbraw/zinc/61/65/53/597616553.db2.gz FTHXDZXSBMGPIU-IBGZPJMESA-N -1 0 371.368 2.548 20 30 FFEDRM Cc1nc(-c2ccc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])s2)cs1 ZINC000821153239 597630756 /nfs/dbraw/zinc/63/07/56/597630756.db2.gz PKHCZFVMMIWYTI-INIZCTEOSA-N -1 0 363.464 2.843 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000819865196 598221760 /nfs/dbraw/zinc/22/17/60/598221760.db2.gz ITMADBXCHJSLDL-OAHLLOKOSA-N -1 0 362.436 2.773 20 30 FFEDRM COc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Br ZINC000820820226 598222991 /nfs/dbraw/zinc/22/29/91/598222991.db2.gz OREKINBPRCETEF-PSLIRLAXSA-N -1 0 369.215 2.639 20 30 FFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000820113625 598224115 /nfs/dbraw/zinc/22/41/15/598224115.db2.gz DNBYPLYHQKWORO-XOBRGWDASA-N -1 0 367.405 2.842 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1OCc1ccccc1 ZINC000819842163 598224444 /nfs/dbraw/zinc/22/44/44/598224444.db2.gz KQSHLWJONQIPGT-FQEVSTJZSA-N -1 0 352.390 2.886 20 30 FFEDRM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820954200 598224779 /nfs/dbraw/zinc/22/47/79/598224779.db2.gz RTUBODUFJAIFQG-FQEVSTJZSA-N -1 0 371.437 2.810 20 30 FFEDRM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820954025 598225678 /nfs/dbraw/zinc/22/56/78/598225678.db2.gz KWEMQKBQGKVNMB-RNODOKPDSA-N -1 0 371.437 2.810 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000819822023 598225750 /nfs/dbraw/zinc/22/57/50/598225750.db2.gz LGVNNLDQKITBFZ-DYVFJYSZSA-N -1 0 352.337 2.786 20 30 FFEDRM CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820592162 598226218 /nfs/dbraw/zinc/22/62/18/598226218.db2.gz OCEUNOYQPZXMKK-IBGZPJMESA-N -1 0 355.394 2.737 20 30 FFEDRM CCOc1ccc(Br)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820387692 598226635 /nfs/dbraw/zinc/22/66/35/598226635.db2.gz WWRXIRIXTNMNCO-AWEZNQCLSA-N -1 0 355.188 2.791 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000819857375 598226951 /nfs/dbraw/zinc/22/69/51/598226951.db2.gz WEQNLALXHXHOQO-IBGZPJMESA-N -1 0 351.362 2.627 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 ZINC000819857378 598227209 /nfs/dbraw/zinc/22/72/09/598227209.db2.gz WEURLJGNAGHWJU-LJQANCHMSA-N -1 0 367.361 2.521 20 30 FFEDRM C=CCOc1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cc1Cl ZINC000735436520 598437457 /nfs/dbraw/zinc/43/74/57/598437457.db2.gz LXJSKBXORCMSHX-UHFFFAOYSA-N -1 0 359.777 2.827 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)cc2O)o1 ZINC000735451219 598512320 /nfs/dbraw/zinc/51/23/20/598512320.db2.gz UNQITIZHQXACIR-UHFFFAOYSA-N -1 0 359.365 2.734 20 30 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FFEDRM C=C(Cl)C[C@H](NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(=O)[O-] ZINC000864184181 730828849 /nfs/dbraw/zinc/82/88/49/730828849.db2.gz OYCXJPDDWAJKLN-LBPRGKRZSA-N -1 0 352.774 2.511 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)Cc1nc(-c2ccsc2)oc1C)C(=O)[O-] ZINC000864184173 730829004 /nfs/dbraw/zinc/82/90/04/730829004.db2.gz OURDGNGCFXDTIR-LBPRGKRZSA-N -1 0 354.815 2.966 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1F)C(=O)[O-] ZINC000864545964 730859012 /nfs/dbraw/zinc/85/90/12/730859012.db2.gz AWTWEYCSVQFKFG-LLVKDONJSA-N -1 0 366.723 2.822 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)Nc1cccc(COCCOC)c1)C(=O)[O-] ZINC000864582369 730861664 /nfs/dbraw/zinc/86/16/64/730861664.db2.gz YULHXKQBRYHOGU-CQSZACIVSA-N -1 0 356.806 2.567 20 30 FFEDRM C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000866281960 731045869 /nfs/dbraw/zinc/04/58/69/731045869.db2.gz FARJMWWDSDCMOW-LBPRGKRZSA-N -1 0 366.265 2.619 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(C(C)(C)C)c1 ZINC000870132706 731472926 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C=C(C)C[C@@H](NC(=O)CSCC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588542319 1080087848 /nfs/dbraw/zinc/08/78/48/1080087848.db2.gz GJWZGHKWRRXKHP-CYBMUJFWSA-N -1 0 355.843 2.792 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)C(=O)[O-] ZINC001588543489 1080088604 /nfs/dbraw/zinc/08/86/04/1080088604.db2.gz IWLAFUKKASAOJG-CYBMUJFWSA-N -1 0 370.434 2.695 20 30 FFEDRM C=C(C)C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)C(=O)[O-] ZINC001588543491 1080089199 /nfs/dbraw/zinc/08/91/99/1080089199.db2.gz IWLAFUKKASAOJG-ZDUSSCGKSA-N -1 0 370.434 2.695 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001588555553 1080092911 /nfs/dbraw/zinc/09/29/11/1080092911.db2.gz LTXSXZJHFSJAEW-SNVBAGLBSA-N -1 0 356.202 2.830 20 30 FFEDRM C=C(C)C[C@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588555867 1080094790 /nfs/dbraw/zinc/09/47/90/1080094790.db2.gz VHDPGFQVFSKMEJ-ZDUSSCGKSA-N -1 0 366.464 2.816 20 30 FFEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001588567303 1080101575 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ZINC001588766969 1080184885 /nfs/dbraw/zinc/18/48/85/1080184885.db2.gz AWULGGQTOGGREZ-UHFFFAOYSA-N -1 0 367.467 2.946 20 30 FFEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001588769159 1080187222 /nfs/dbraw/zinc/18/72/22/1080187222.db2.gz NUXOAPLGODCDFQ-LBPRGKRZSA-N -1 0 366.389 2.613 20 30 FFEDRM C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(C(=O)[O-])n2C)cc1 ZINC001588776901 1080191127 /nfs/dbraw/zinc/19/11/27/1080191127.db2.gz MNABRYLKRXLYOB-UHFFFAOYSA-N -1 0 356.378 2.985 20 30 FFEDRM C=CCC[C@@H](C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC001588777341 1080192200 /nfs/dbraw/zinc/19/22/00/1080192200.db2.gz ZUTLWFMUMYOEFJ-QGZVFWFLSA-N -1 0 368.437 2.890 20 30 FFEDRM CC(=NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC001588781001 1080192903 /nfs/dbraw/zinc/19/29/03/1080192903.db2.gz WKWLTUVPWIYFOY-GFCCVEGCSA-N -1 0 366.381 2.555 20 30 FFEDRM C=CCCC1(CNC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCCC1 ZINC001588782411 1080194880 /nfs/dbraw/zinc/19/48/80/1080194880.db2.gz 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C=CCn1c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588905011 1080255443 /nfs/dbraw/zinc/25/54/43/1080255443.db2.gz MCEBEWBJXIGESO-QMTMVMCOSA-N -1 0 358.442 2.550 20 30 FFEDRM C=CCn1c(SCCn2cc(C(=O)[O-])nn2)nnc1-c1ccccc1C ZINC001588907729 1080257050 /nfs/dbraw/zinc/25/70/50/1080257050.db2.gz VOYKETAZDXEEAC-UHFFFAOYSA-N -1 0 370.438 2.522 20 30 FFEDRM CC(=NOCC(=O)Nc1cccc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021217 1080309633 /nfs/dbraw/zinc/30/96/33/1080309633.db2.gz NQZUHAJCDHVETR-UHFFFAOYSA-N -1 0 360.341 2.668 20 30 FFEDRM CCC(CC)(C(=O)[O-])C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC001589473418 1080551561 /nfs/dbraw/zinc/55/15/61/1080551561.db2.gz BVNXJQMIFCBJEG-UHFFFAOYSA-N -1 0 359.426 2.650 20 30 FFEDRM CCC(CC)(CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001589497851 1080564497 /nfs/dbraw/zinc/56/44/97/1080564497.db2.gz BQDNUYDWZQWWBY-UHFFFAOYSA-N -1 0 354.410 2.673 20 30 FFEDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N2CCc3ccc(C#N)cc32)cc1 ZINC001589643010 1080647180 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600195802 /nfs/dbraw/zinc/19/58/02/600195802.db2.gz CUEIRTYYXUUYDO-KRWDZBQOSA-N -1 0 356.353 2.603 20 30 FFEDRM CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737395048 600211677 /nfs/dbraw/zinc/21/16/77/600211677.db2.gz OSIVQDLBMFDDGL-KRWDZBQOSA-N -1 0 357.797 2.908 20 30 FFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000739123528 600217707 /nfs/dbraw/zinc/21/77/07/600217707.db2.gz QWFQQQPJWNQJRV-PKOBYXMFSA-N -1 0 361.401 2.742 20 30 FFEDRM Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(C(=O)[O-])[nH]1 ZINC000738432134 600256898 /nfs/dbraw/zinc/25/68/98/600256898.db2.gz XQWMFTUQZFDTAS-UHFFFAOYSA-N -1 0 358.423 2.944 20 30 FFEDRM O=C([O-])CCCc1nc(CON=Cc2ccc(Br)cc2)no1 ZINC000739702187 600282521 /nfs/dbraw/zinc/28/25/21/600282521.db2.gz KRNGBZMDJUPYBQ-UHFFFAOYSA-N -1 0 368.187 2.790 20 30 FFEDRM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccn(CC(=O)[O-])n3)c2)cc1 ZINC000739120964 600399291 /nfs/dbraw/zinc/39/92/91/600399291.db2.gz HNDAFZJVSHGVKR-UHFFFAOYSA-N -1 0 361.361 2.835 20 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600582313 /nfs/dbraw/zinc/58/23/13/600582313.db2.gz ZBOJRGJSTMCISS-QWHCGFSZSA-N -1 0 350.440 2.927 20 30 FFEDRM CC(=O)c1cccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736196515 600605595 /nfs/dbraw/zinc/60/55/95/600605595.db2.gz PSYJBZKKTWCORF-SFHVURJKSA-N -1 0 353.330 2.509 20 30 FFEDRM COc1cccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC ZINC000738094169 600605979 /nfs/dbraw/zinc/60/59/79/600605979.db2.gz GCEKQYKNQKILQY-LJQANCHMSA-N -1 0 369.373 2.877 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)CCc2ccc3c(c2)OCCO3)C(=O)[O-])cc1 ZINC000739109708 600609267 /nfs/dbraw/zinc/60/92/67/600609267.db2.gz MOFMEYKZXLKYNN-IBGZPJMESA-N -1 0 367.357 2.631 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1cnc(-c2ccc(C)cc2)s1 ZINC000736124950 600612711 /nfs/dbraw/zinc/61/27/11/600612711.db2.gz DCBJWHOPHMVHKY-CYBMUJFWSA-N -1 0 373.459 2.565 20 30 FFEDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736702950 600614751 /nfs/dbraw/zinc/61/47/51/600614751.db2.gz HTBDPARUKRAPJC-QFYYESIMSA-N -1 0 361.300 2.973 20 30 FFEDRM COC(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737643341 600616886 /nfs/dbraw/zinc/61/68/86/600616886.db2.gz MBQFKKSRTMXSBO-HNNXBMFYSA-N -1 0 354.318 2.719 20 30 FFEDRM COC(=O)c1cc(NC(=O)N(C)Cc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC000831277574 600662453 /nfs/dbraw/zinc/66/24/53/600662453.db2.gz UKXYKAIEHMGATO-UHFFFAOYSA-N -1 0 367.361 2.707 20 30 FFEDRM N#Cc1cccc(OCCCCC(=O)N2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000739139903 600671072 /nfs/dbraw/zinc/67/10/72/600671072.db2.gz LTXRQMGJSFDOIP-HNNXBMFYSA-N -1 0 362.451 2.526 20 30 FFEDRM COc1ccc(C(=O)[O-])c(OCc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000832182941 600801644 /nfs/dbraw/zinc/80/16/44/600801644.db2.gz OJKXQROFMXKDMM-UHFFFAOYSA-N -1 0 351.318 2.894 20 30 FFEDRM N#CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000833065984 600929505 /nfs/dbraw/zinc/92/95/05/600929505.db2.gz QHYSJHVDAXGGHZ-ZIAGYGMSSA-N -1 0 358.394 2.595 20 30 FFEDRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC000827603453 600935599 /nfs/dbraw/zinc/93/55/99/600935599.db2.gz QNJWPRRMNOLIKF-SNVBAGLBSA-N -1 0 371.780 2.726 20 30 FFEDRM Cc1ccc(-n2nnnc2S[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738501396 600936468 /nfs/dbraw/zinc/93/64/68/600936468.db2.gz RIMDFEAWABXBPH-HNNXBMFYSA-N -1 0 351.391 2.760 20 30 FFEDRM Cc1ccc(-n2nnnc2S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738501397 600936510 /nfs/dbraw/zinc/93/65/10/600936510.db2.gz RIMDFEAWABXBPH-OAHLLOKOSA-N -1 0 351.391 2.760 20 30 FFEDRM N#Cc1cccc(-c2nnc(COc3cc(C(=O)[O-])ccc3[N+](=O)[O-])o2)c1 ZINC000739132331 600984811 /nfs/dbraw/zinc/98/48/11/600984811.db2.gz JXWYTMFTJBSFMW-UHFFFAOYSA-N -1 0 366.289 2.794 20 30 FFEDRM N#Cc1cccc(-c2nnc(COc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)o2)c1 ZINC000739132348 600985837 /nfs/dbraw/zinc/98/58/37/600985837.db2.gz KXQUNBATMVMRIZ-UHFFFAOYSA-N -1 0 366.289 2.794 20 30 FFEDRM N#Cc1ccc(OCCNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000833071752 601014354 /nfs/dbraw/zinc/01/43/54/601014354.db2.gz OTDFYKCBGFVTPK-UHFFFAOYSA-N -1 0 361.304 2.735 20 30 FFEDRM C[C@@H](Sc1ccccc1C(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-] ZINC000736718880 601031357 /nfs/dbraw/zinc/03/13/57/601031357.db2.gz VRMQRGPIQWKQHW-CYBMUJFWSA-N -1 0 370.430 2.932 20 30 FFEDRM CCCc1c(C(=O)NCCOc2ccc(C#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737041741 601065521 /nfs/dbraw/zinc/06/55/21/601065521.db2.gz UDGQBUTWADDCBD-UHFFFAOYSA-N -1 0 355.394 2.654 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832842823 601075861 /nfs/dbraw/zinc/07/58/61/601075861.db2.gz KPZZSIRNVNKQEO-KRWDZBQOSA-N -1 0 372.352 2.717 20 30 FFEDRM COc1cc(C(=O)[O-])sc1S(=O)(=O)Oc1ccc(C#N)cc1Cl ZINC000831950352 601211622 /nfs/dbraw/zinc/21/16/22/601211622.db2.gz QUTMUCVNDLYBKC-UHFFFAOYSA-N -1 0 373.795 2.748 20 30 FFEDRM C#CCOc1cccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000825631751 601239870 /nfs/dbraw/zinc/23/98/70/601239870.db2.gz LUELEBZANYOPLQ-FLIBITNWSA-N -1 0 358.371 2.564 20 30 FFEDRM CCOc1ccc(C[C@@H](CNC(=O)c2ccc(C#N)s2)C(=O)[O-])cc1 ZINC000830070691 601280957 /nfs/dbraw/zinc/28/09/57/601280957.db2.gz FISLQWNHEXDSCT-ZDUSSCGKSA-N -1 0 358.419 2.692 20 30 FFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccccc1 ZINC000827879467 601295668 /nfs/dbraw/zinc/29/56/68/601295668.db2.gz QWNKXTREOFSTAP-GLJUWKHASA-N -1 0 352.390 2.904 20 30 FFEDRM COC(=O)[C@@H](Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000831084657 601303299 /nfs/dbraw/zinc/30/32/99/601303299.db2.gz PICAIRAXLYZGRP-SFHVURJKSA-N -1 0 354.362 2.738 20 30 FFEDRM CCc1[nH]c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1C(=O)OC ZINC000830202342 601346777 /nfs/dbraw/zinc/34/67/77/601346777.db2.gz KCSWZESRGGDXBC-INIZCTEOSA-N -1 0 370.361 2.527 20 30 FFEDRM CC(C)(C)c1noc(CCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000826528071 601348093 /nfs/dbraw/zinc/34/80/93/601348093.db2.gz GKOFXMOXGUMNLB-MRXNPFEDSA-N -1 0 371.393 2.931 20 30 FFEDRM COC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831209773 601352744 /nfs/dbraw/zinc/35/27/44/601352744.db2.gz KBGUGKARKOAZNI-OAHLLOKOSA-N -1 0 354.318 2.719 20 30 FFEDRM CCN(C)C(=O)c1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829608028 601352938 /nfs/dbraw/zinc/35/29/38/601352938.db2.gz CWGAPCKJEJDTJF-KRWDZBQOSA-N -1 0 366.373 2.633 20 30 FFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC000833065105 601430027 /nfs/dbraw/zinc/43/00/27/601430027.db2.gz RUPZIARWXRDGFV-JKSUJKDBSA-N -1 0 354.410 2.749 20 30 FFEDRM Cc1cc(C(=O)OCCOc2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832867574 601501065 /nfs/dbraw/zinc/50/10/65/601501065.db2.gz INXMQPOBQHNOFX-UHFFFAOYSA-N -1 0 369.373 2.874 20 30 FFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000818788067 601669343 /nfs/dbraw/zinc/66/93/43/601669343.db2.gz QEIOHILAJSZBKC-SFHVURJKSA-N -1 0 366.373 2.585 20 30 FFEDRM CC(C)Cc1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)cc1 ZINC000826912835 601825221 /nfs/dbraw/zinc/82/52/21/601825221.db2.gz JAQRNYCKVVLVLV-HNNXBMFYSA-N -1 0 358.463 2.722 20 30 FFEDRM N#CCc1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000751145229 601834308 /nfs/dbraw/zinc/83/43/08/601834308.db2.gz CYTPQORNYROQHP-UHFFFAOYSA-N -1 0 352.318 2.530 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cccc(Cl)c1F ZINC000825813316 601853640 /nfs/dbraw/zinc/85/36/40/601853640.db2.gz JNIWUOQWENIMGL-AWEZNQCLSA-N -1 0 366.776 2.883 20 30 FFEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738853781 601971441 /nfs/dbraw/zinc/97/14/41/601971441.db2.gz UYYXMYPCENEKME-UHFFFAOYSA-N -1 0 358.442 2.868 20 30 FFEDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000739003185 602011418 /nfs/dbraw/zinc/01/14/18/602011418.db2.gz LQRRIZMKVWEJEM-XJKSGUPXSA-N -1 0 361.467 2.829 20 30 FFEDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000740405145 602075155 /nfs/dbraw/zinc/07/51/55/602075155.db2.gz TUXNCSXUSCQNPF-MSOLQXFVSA-N -1 0 355.438 2.602 20 30 FFEDRM C[C@H](Oc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794696899 602106791 /nfs/dbraw/zinc/10/67/91/602106791.db2.gz WKABPJUSHNPRNE-LQELWAHVSA-N -1 0 372.398 2.592 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)COC/C=C\c2ccccc2)C(=O)[O-])cc1 ZINC000833072762 602107078 /nfs/dbraw/zinc/10/70/78/602107078.db2.gz PZNSRAVQKRDGNM-BQHGXPCASA-N -1 0 351.358 2.957 20 30 FFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738459868 602174301 /nfs/dbraw/zinc/17/43/01/602174301.db2.gz GOVQJIMIPYTJDH-GDBMZVCRSA-N -1 0 361.417 2.749 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000826636746 602182898 /nfs/dbraw/zinc/18/28/98/602182898.db2.gz HSUHKHBDLWQLKL-UHFFFAOYSA-N -1 0 364.361 2.929 20 30 FFEDRM C=CCn1c(-c2cccc(OC)c2)nn(CN(CC(=O)[O-])C2CC2)c1=S ZINC000825705260 602197719 /nfs/dbraw/zinc/19/77/19/602197719.db2.gz ABKIBJFJHVKJEW-UHFFFAOYSA-N -1 0 374.466 2.782 20 30 FFEDRM N#CCOc1cccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000740310485 602231113 /nfs/dbraw/zinc/23/11/13/602231113.db2.gz LDLXMSAYOQHYAL-UHFFFAOYSA-N -1 0 368.393 2.958 20 30 FFEDRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000827324658 602275322 /nfs/dbraw/zinc/27/53/22/602275322.db2.gz IZKSFEIILQPVOM-GWMMYCTHSA-N -1 0 359.422 2.910 20 30 FFEDRM Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H](C)CC(=O)[O-])ccc1Cl ZINC000832888065 602278347 /nfs/dbraw/zinc/27/83/47/602278347.db2.gz CYPCMEAXJPJYEB-LBPRGKRZSA-N -1 0 366.801 2.549 20 30 FFEDRM COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)NC(=O)[O-] ZINC000739963720 602285204 /nfs/dbraw/zinc/28/52/04/602285204.db2.gz OISDGBPEUWUVQP-OAHLLOKOSA-N -1 0 372.356 2.836 20 30 FFEDRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000739228231 602357812 /nfs/dbraw/zinc/35/78/12/602357812.db2.gz SMXVKRBOUIEWMD-SUMWQHHRSA-N -1 0 359.426 2.610 20 30 FFEDRM N#CCCn1ncc2c1ncnc2Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740307876 602434919 /nfs/dbraw/zinc/43/49/19/602434919.db2.gz CPWKVWDRQXTKNH-UHFFFAOYSA-N -1 0 363.381 2.914 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000738505626 602478550 /nfs/dbraw/zinc/47/85/50/602478550.db2.gz NYBYPDYNWJTYLB-IQIBNGDESA-N -1 0 374.437 2.732 20 30 FFEDRM CC(C)c1ccc([C@@H](CNC(=O)c2ccc(C#N)cn2)NC(=O)[O-])cc1 ZINC000738880341 602572422 /nfs/dbraw/zinc/57/24/22/602572422.db2.gz BPDREBBVUSSHSG-QGZVFWFLSA-N -1 0 352.394 2.815 20 30 FFEDRM N#C[C@H](C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCCC1 ZINC000740303237 602669948 /nfs/dbraw/zinc/66/99/48/602669948.db2.gz HTVNXTKFUYPTKW-IAGOWNOFSA-N -1 0 371.437 2.933 20 30 FFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738864994 602720488 /nfs/dbraw/zinc/72/04/88/602720488.db2.gz XGJCRMDZSWVGJJ-ZDUSSCGKSA-N -1 0 360.414 2.857 20 30 FFEDRM C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)N1C(=O)[O-] ZINC000739127970 602758998 /nfs/dbraw/zinc/75/89/98/602758998.db2.gz HHVKAUZCSBSDDF-HUUCEWRRSA-N -1 0 359.426 2.707 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)NC[C@H](NC(=O)[O-])C(C)C)c1C#N ZINC000740020130 602779180 /nfs/dbraw/zinc/77/91/80/602779180.db2.gz INJCUQUJHKEVGL-AWEZNQCLSA-N -1 0 362.455 2.575 20 30 FFEDRM N#C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000831069977 602895555 /nfs/dbraw/zinc/89/55/55/602895555.db2.gz BPPOVHNTCHVOMX-CYBMUJFWSA-N -1 0 371.315 2.656 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000738489523 602969084 /nfs/dbraw/zinc/96/90/84/602969084.db2.gz FSFSPHLQJWKYPW-SJORKVTESA-N -1 0 371.437 2.876 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000738490727 602977970 /nfs/dbraw/zinc/97/79/70/602977970.db2.gz XOSSOOLWEPQHIG-QGZVFWFLSA-N -1 0 356.426 2.788 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738800454 603002915 /nfs/dbraw/zinc/00/29/15/603002915.db2.gz NXMAXWWNRLFJBS-MMNRESRNSA-N -1 0 371.437 2.751 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000739209663 603027144 /nfs/dbraw/zinc/02/71/44/603027144.db2.gz QQAUXZOJIKIHEL-LBPRGKRZSA-N 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366.215 2.566 20 30 FFEDRM N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831109495 604039292 /nfs/dbraw/zinc/03/92/92/604039292.db2.gz KRZUOCPYYMRORF-ZWNOBZJWSA-N -1 0 352.774 2.722 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000823511077 604076867 /nfs/dbraw/zinc/07/68/67/604076867.db2.gz OYPCUEOHTBKRAO-HIFRSBDPSA-N -1 0 374.441 2.502 20 30 FFEDRM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000824875113 604093651 /nfs/dbraw/zinc/09/36/51/604093651.db2.gz ZTARSXOWBIWGBV-GFCCVEGCSA-N -1 0 354.366 2.930 20 30 FFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827595069 604220933 /nfs/dbraw/zinc/22/09/33/604220933.db2.gz LJEDAWBZEPWTGV-ARFHVFGLSA-N -1 0 371.437 2.895 20 30 FFEDRM C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823724700 604229664 /nfs/dbraw/zinc/22/96/64/604229664.db2.gz SLDTWHVASNCSKP-CQSZACIVSA-N -1 0 370.453 2.740 20 30 FFEDRM 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2.906 20 30 FFEDRM C#C[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001602673623 971241806 /nfs/dbraw/zinc/24/18/06/971241806.db2.gz YBMKEKLSVZSNHV-ZWKOTPCHSA-N -1 0 352.365 2.894 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)N(CCC)CCC)c1 ZINC000728766561 971355214 /nfs/dbraw/zinc/35/52/14/971355214.db2.gz CAXONFJKGZNNKR-QGZVFWFLSA-N -1 0 355.438 2.573 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001602723190 971394260 /nfs/dbraw/zinc/39/42/60/971394260.db2.gz SODZUGYWNWHXIH-INIZCTEOSA-N -1 0 353.378 2.550 20 30 FFEDRM N#C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(Br)c1 ZINC001594600987 956128661 /nfs/dbraw/zinc/12/86/61/956128661.db2.gz GCWRTVZTVDPVEQ-BBRMVZONSA-N -1 0 363.211 2.941 20 30 FFEDRM N#CCOc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001594609681 956194328 /nfs/dbraw/zinc/19/43/28/956194328.db2.gz HBILERJEDIJAJU-UHFFFAOYSA-N -1 0 372.402 2.603 20 30 FFEDRM N#CCCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC001594610619 956205826 /nfs/dbraw/zinc/20/58/26/956205826.db2.gz ZMINAJHBGCMBFV-HYXAFXHYSA-N -1 0 368.345 2.709 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cn2)cc1 ZINC001594625286 956307388 /nfs/dbraw/zinc/30/73/88/956307388.db2.gz LPOMUXNNKXECGA-MQMHXKEQSA-N -1 0 352.350 2.730 20 30 FFEDRM N#Cc1cccc2[nH]cc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)c21 ZINC001594628961 956339062 /nfs/dbraw/zinc/33/90/62/956339062.db2.gz ZDNKPZIXHIZOLQ-DLBZAZTESA-N -1 0 359.385 2.980 20 30 FFEDRM N#Cc1ccccc1CSCCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594632350 956353381 /nfs/dbraw/zinc/35/33/81/956353381.db2.gz WKERCTRYZXBNOV-UHFFFAOYSA-N -1 0 370.430 2.685 20 30 FFEDRM N#Cc1csc(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001594634544 956362735 /nfs/dbraw/zinc/36/27/35/956362735.db2.gz LOBZOCAENCDWBP-UHFFFAOYSA-N -1 0 370.434 2.802 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000124335582 972241560 /nfs/dbraw/zinc/24/15/60/972241560.db2.gz FRRUZGZJYUGMFI-CYBMUJFWSA-N -1 0 374.828 2.595 20 30 FFEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)Oc1ccccc1CC(=O)[O-] ZINC001594274080 957701598 /nfs/dbraw/zinc/70/15/98/957701598.db2.gz PCTGMHYYRHXBPA-UHFFFAOYSA-N -1 0 359.403 2.711 20 30 FFEDRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC001594285407 957773369 /nfs/dbraw/zinc/77/33/69/957773369.db2.gz HUBDTMQMAHRGHL-UHFFFAOYSA-N -1 0 374.400 2.895 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001594298580 957888608 /nfs/dbraw/zinc/88/86/08/957888608.db2.gz XOTUGQUDSDEIML-BZSNNMDCSA-N -1 0 371.481 2.981 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001594298684 957889455 /nfs/dbraw/zinc/88/94/55/957889455.db2.gz XOTUGQUDSDEIML-SQNIBIBYSA-N -1 0 371.481 2.981 20 30 FFEDRM COc1cc(C)c(Br)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001594054148 958010479 /nfs/dbraw/zinc/01/04/79/958010479.db2.gz KSFOKUJZEXFWKB-CQSZACIVSA-N -1 0 355.188 2.709 20 30 FFEDRM C#CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000149773573 959025319 /nfs/dbraw/zinc/02/53/19/959025319.db2.gz NSAQKCPJYBARGD-JTQLQIEISA-N -1 0 364.117 2.674 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594485815 959660979 /nfs/dbraw/zinc/66/09/79/959660979.db2.gz BREMXWUCPRJTBT-MRXNPFEDSA-N -1 0 362.474 2.742 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1c(C)c(C)sc1=O ZINC000120973490 961099985 /nfs/dbraw/zinc/09/99/85/961099985.db2.gz NJRROTARNNCSGG-AWEZNQCLSA-N -1 0 367.430 2.908 20 30 FFEDRM N#Cc1ccc2c(c1)C[C@H](NC(=O)C[C@]1(C(=O)[O-])CCCc3ccccc31)C2 ZINC000873000956 1013341409 /nfs/dbraw/zinc/34/14/09/1013341409.db2.gz BQPYVPQGSHXVBA-AUSIDOKSSA-N -1 0 374.440 2.891 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(F)c2ncccc2c1 ZINC000873497159 1013537436 /nfs/dbraw/zinc/53/74/36/1013537436.db2.gz ITRCQKQDAAGPIJ-OAHLLOKOSA-N -1 0 357.385 2.628 20 30 FFEDRM COc1cccc(/C(C)=C/C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000176123386 965279021 /nfs/dbraw/zinc/27/90/21/965279021.db2.gz LSFSMFCTNZEOJY-NTEUORMPSA-N -1 0 370.430 2.616 20 30 FFEDRM N#Cc1ccc(Nc2cncc(C(=O)[O-])c2)c(I)c1 ZINC001175844027 1013565145 /nfs/dbraw/zinc/56/51/45/1013565145.db2.gz YFJPEJVRNONXHO-UHFFFAOYSA-N -1 0 365.130 3.000 20 30 FFEDRM C#Cc1cccc(Nc2ncc(S(=O)(=O)[O-])cc2Br)c1 ZINC001175975151 1013598501 /nfs/dbraw/zinc/59/85/01/1013598501.db2.gz JWYAPDJCMVRHKZ-UHFFFAOYSA-N -1 0 353.197 2.816 20 30 FFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000135955836 967155722 /nfs/dbraw/zinc/15/57/22/967155722.db2.gz USIMDMYWPXTMGP-OAHLLOKOSA-N -1 0 372.446 2.810 20 30 FFEDRM C=CCN(CC(=O)OCC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000156539333 967513336 /nfs/dbraw/zinc/51/33/36/967513336.db2.gz NFMUIDYXLVYDQS-UHFFFAOYSA-N -1 0 371.437 2.893 20 30 FFEDRM C#Cc1nc(Br)cnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674337 1013750425 /nfs/dbraw/zinc/75/04/25/1013750425.db2.gz JEHHUNTZFBKBHS-UHFFFAOYSA-N -1 0 363.127 2.570 20 30 FFEDRM C[C@@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000874407442 969387050 /nfs/dbraw/zinc/38/70/50/969387050.db2.gz PYYOCYUQLONHJI-XOKHGSTOSA-N -1 0 357.454 2.878 20 30 FFEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001605219578 972967356 /nfs/dbraw/zinc/96/73/56/972967356.db2.gz IMKJUFDTHOZRDK-UHFFFAOYSA-N -1 0 363.333 2.728 20 30 FFEDRM N#Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])CCO2)cc1 ZINC001605601820 973907525 /nfs/dbraw/zinc/90/75/25/973907525.db2.gz FIVHDQSXNUGPDF-KRWDZBQOSA-N -1 0 351.362 2.862 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(N2CCCC2=O)cc1 ZINC000127260079 974199323 /nfs/dbraw/zinc/19/93/23/974199323.db2.gz VBNMSPKARPAFMD-QGZVFWFLSA-N -1 0 353.422 2.585 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccc2)c1 ZINC000125516007 974658957 /nfs/dbraw/zinc/65/89/57/974658957.db2.gz BINPPVOFEFTZCB-SFHVURJKSA-N -1 0 353.422 2.731 20 30 FFEDRM CC(C)OC[C@H](C(=O)[O-])N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001591711977 975601832 /nfs/dbraw/zinc/60/18/32/975601832.db2.gz KUAYNHBIXIBQEV-OAHLLOKOSA-N -1 0 359.344 2.747 20 30 FFEDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c([O-])c2)[C@H](C#N)C1 ZINC001149176646 975846411 /nfs/dbraw/zinc/84/64/11/975846411.db2.gz KLOHXUWTQLIXND-GFCCVEGCSA-N -1 0 365.817 2.631 20 30 FFEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC#C[C@@H]1CCCCO1 ZINC001591766944 975872214 /nfs/dbraw/zinc/87/22/14/975872214.db2.gz BEQAQAVGKQREBL-HNNXBMFYSA-N -1 0 360.410 2.866 20 30 FFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647755864 976819561 /nfs/dbraw/zinc/81/95/61/976819561.db2.gz LOUKUGUQGVSKJP-GDBMZVCRSA-N -1 0 369.421 2.620 20 30 FFEDRM C[C@@](CC(=O)[O-])(NC(=O)CSCc1ccc(C#N)cc1)c1ccncc1 ZINC001592289774 977607285 /nfs/dbraw/zinc/60/72/85/977607285.db2.gz BEIKHUBFRFPPAU-IBGZPJMESA-N -1 0 369.446 2.693 20 30 FFEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)C1CC1 ZINC001592297955 977642138 /nfs/dbraw/zinc/64/21/38/977642138.db2.gz RYSHHLREEMQNHE-IBGZPJMESA-N -1 0 367.409 2.568 20 30 FFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000126244098 977998328 /nfs/dbraw/zinc/99/83/28/977998328.db2.gz XBJSOYZAHLCVLY-MRXNPFEDSA-N -1 0 362.364 2.650 20 30 FFEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)cnn1-c1ccccc1 ZINC000127331730 979119958 /nfs/dbraw/zinc/11/99/58/979119958.db2.gz VTFITLPQMUDPGN-KRWDZBQOSA-N -1 0 350.422 2.952 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909640747 979160984 /nfs/dbraw/zinc/16/09/84/979160984.db2.gz PLUXLJPHNHWKRR-RDJZCZTQSA-N -1 0 355.394 2.799 20 30 FFEDRM N#CCCCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([S-])cc1)CC2 ZINC001271866415 979192988 /nfs/dbraw/zinc/19/29/88/979192988.db2.gz FJBVAKJFAZBBHB-INIZCTEOSA-N -1 0 357.479 2.638 20 30 FFEDRM C#CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(Cl)c1[O-])CC2 ZINC001271910704 979261757 /nfs/dbraw/zinc/26/17/57/979261757.db2.gz WJJVCTSZQSXTDM-UHFFFAOYSA-N -1 0 360.841 2.524 20 30 FFEDRM CCC(CC)(NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)[O-] ZINC001595097739 979395952 /nfs/dbraw/zinc/39/59/52/979395952.db2.gz KSJVQWOLSBTEPF-UHFFFAOYSA-N -1 0 366.421 2.939 20 30 FFEDRM C[C@H](NC(=O)CC1CCCCC1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001593014989 980258603 /nfs/dbraw/zinc/25/86/03/980258603.db2.gz YHHKEVUZTWDVHX-ZDUSSCGKSA-N -1 0 372.421 2.775 20 30 FFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1 ZINC001595362376 980770872 /nfs/dbraw/zinc/77/08/72/980770872.db2.gz BYQYOTPVONPMSS-INIZCTEOSA-N -1 0 364.467 2.938 20 30 FFEDRM Cn1c(C=NNc2[n-]cnc3ncnc2-3)nc2cc(C(F)(F)F)ccc21 ZINC000760254345 980899740 /nfs/dbraw/zinc/89/97/40/980899740.db2.gz UBHKXYWANUFKJH-UHFFFAOYSA-N -1 0 360.303 2.704 20 30 FFEDRM N#CC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCSCC1 ZINC000907581598 981267399 /nfs/dbraw/zinc/26/73/99/981267399.db2.gz LQLDXGSIPQDQGK-UHFFFAOYSA-N -1 0 369.446 2.788 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1c2ccccc2C[C@@H](C)[C@H]1C(=O)[O-] ZINC000908704603 981507626 /nfs/dbraw/zinc/50/76/26/981507626.db2.gz UKLVROXGGYRWIY-KCMWZYNZSA-N -1 0 358.438 2.829 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)nc1)C(=O)[O-] ZINC000908781882 981531679 /nfs/dbraw/zinc/53/16/79/981531679.db2.gz AAGONKVIAGHXAZ-MRXNPFEDSA-N -1 0 360.458 2.537 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000908792324 981535789 /nfs/dbraw/zinc/53/57/89/981535789.db2.gz HSUWJVIZMRMBOP-MRXNPFEDSA-N -1 0 360.458 2.681 20 30 FFEDRM C#C[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC001212074655 981573008 /nfs/dbraw/zinc/57/30/08/981573008.db2.gz GPXJQRLFKXKLLD-CYBMUJFWSA-N -1 0 367.810 2.681 20 30 FFEDRM C=CCCC[C@H](NC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC000909024050 981599565 /nfs/dbraw/zinc/59/95/65/981599565.db2.gz BZEZZOWALOATHP-GJZGRUSLSA-N -1 0 369.412 2.676 20 30 FFEDRM CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595619653 981680078 /nfs/dbraw/zinc/68/00/78/981680078.db2.gz LCZPQEAIJDRLJT-DOMZBBRYSA-N -1 0 350.440 2.846 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1OC ZINC000910431424 981943242 /nfs/dbraw/zinc/94/32/42/981943242.db2.gz SAINJILNBQKYOQ-IYNGYCSASA-N -1 0 367.348 2.594 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)cc1OC ZINC000911157764 982158901 /nfs/dbraw/zinc/15/89/01/982158901.db2.gz VLUPBVBAAGKJNP-BRLPQQTGSA-N -1 0 373.327 2.795 20 30 FFEDRM CC[C@@H](C)C[C@@H](NC(=O)c1cccc(C#N)c1Br)C(=O)[O-] ZINC001594946357 982641196 /nfs/dbraw/zinc/64/11/96/982641196.db2.gz OEJRCYQTKBZPOO-BXKDBHETSA-N -1 0 353.216 2.940 20 30 FFEDRM CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC001596173359 983539733 /nfs/dbraw/zinc/53/97/33/983539733.db2.gz XALFOKWKGJYDFM-UHFFFAOYSA-N -1 0 370.312 2.793 20 30 FFEDRM CCN(CC(=O)Nc1cccc(OC)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596209415 983600245 /nfs/dbraw/zinc/60/02/45/983600245.db2.gz JKYLRKHLXRVURF-IBGZPJMESA-N -1 0 367.405 2.653 20 30 FFEDRM CCN(C[C@H](C)C#N)C(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001596231925 983627961 /nfs/dbraw/zinc/62/79/61/983627961.db2.gz XOGASJQPJDAHRM-LLVKDONJSA-N -1 0 365.411 2.783 20 30 FFEDRM CC#CCN(C)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000911703061 983882439 /nfs/dbraw/zinc/88/24/39/983882439.db2.gz LGPOCSDAZYRTJI-UHFFFAOYSA-N -1 0 353.422 2.602 20 30 FFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000780402897 983888433 /nfs/dbraw/zinc/88/84/33/983888433.db2.gz KYXVLZJHBPJEJB-UHFFFAOYSA-N -1 0 365.414 2.956 20 30 FFEDRM CNC(=O)c1ccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000912859507 984132635 /nfs/dbraw/zinc/13/26/35/984132635.db2.gz ZFFKZBWBRBOLHC-UITAMQMPSA-N -1 0 353.374 2.578 20 30 FFEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001596501507 984255925 /nfs/dbraw/zinc/25/59/25/984255925.db2.gz XYYKYORGTTXBPR-HNNXBMFYSA-N -1 0 373.434 2.600 20 30 FFEDRM N#Cc1ccc(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000151394543 984277319 /nfs/dbraw/zinc/27/73/19/984277319.db2.gz HZFKITGPHTUJHF-UHFFFAOYSA-N -1 0 363.295 2.764 20 30 FFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000129527889 984282089 /nfs/dbraw/zinc/28/20/89/984282089.db2.gz QJBXDUTWPQLKTP-KRWDZBQOSA-N -1 0 353.422 2.806 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)cc2C)cc1 ZINC000156354058 984325396 /nfs/dbraw/zinc/32/53/96/984325396.db2.gz NYJACAZVMLRVHZ-SFHVURJKSA-N -1 0 354.381 2.824 20 30 FFEDRM C[C@H]1CN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C[C@]1(C)C(=O)[O-] ZINC001599917926 985085801 /nfs/dbraw/zinc/08/58/01/985085801.db2.gz ZGTLPIMKHXKAFC-NKFCBESUSA-N -1 0 369.343 2.914 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)cc1 ZINC000171146373 985226507 /nfs/dbraw/zinc/22/65/07/985226507.db2.gz URJHMSIYPKKUIQ-HNNXBMFYSA-N -1 0 371.462 2.956 20 30 FFEDRM Cc1cccc2[nH]cc(CC(=O)[N-]S(=O)(=O)Cc3ccc(C#N)cc3)c21 ZINC000171479744 985294792 /nfs/dbraw/zinc/29/47/92/985294792.db2.gz UEGZWZWOQSEMAO-UHFFFAOYSA-N -1 0 367.430 2.537 20 30 FFEDRM CCO[C@@H]1C[C@](NC(=O)c2cc(C#N)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596829220 985453498 /nfs/dbraw/zinc/45/34/98/985453498.db2.gz UDLJDJSTFKVTJO-DYVFJYSZSA-N -1 0 350.802 2.600 20 30 FFEDRM CCO[C@H]1C[C@@](NC(=O)c2ccc(Cl)c(C#N)c2)(C(=O)[O-])C1(C)C ZINC001596829221 985453786 /nfs/dbraw/zinc/45/37/86/985453786.db2.gz XOXABRBSRQOHOI-SUMWQHHRSA-N -1 0 350.802 2.600 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001599941321 985458266 /nfs/dbraw/zinc/45/82/66/985458266.db2.gz IEGWJARQHXLNDN-UHFFFAOYSA-N -1 0 374.784 2.594 20 30 FFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(CC#N)c2)c(C)c1C(=O)[O-] ZINC001599948003 985561800 /nfs/dbraw/zinc/56/18/00/985561800.db2.gz ITNBBEBUNJYMPR-GFCCVEGCSA-N -1 0 354.362 2.824 20 30 FFEDRM CCn1c(=O)c2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2[n-]c1=S ZINC000765775687 985797616 /nfs/dbraw/zinc/79/76/16/985797616.db2.gz QOILMPWOQSTDDN-HNNXBMFYSA-N -1 0 370.478 2.859 20 30 FFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173936715 986030549 /nfs/dbraw/zinc/03/05/49/986030549.db2.gz DYCMMDVKOBUYOG-HNNXBMFYSA-N -1 0 350.378 2.559 20 30 FFEDRM Cc1c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cnn1CCC#N ZINC001599974887 986073602 /nfs/dbraw/zinc/07/36/02/986073602.db2.gz BITOTFKGDLQVGL-UHFFFAOYSA-N -1 0 354.410 2.612 20 30 FFEDRM Cc1c2cc(Br)ccc2oc1C(=O)N(CC#N)CCC(=O)[O-] ZINC001599975575 986084676 /nfs/dbraw/zinc/08/46/76/986084676.db2.gz HSQSJXQWQSDQBI-UHFFFAOYSA-N -1 0 365.183 2.944 20 30 FFEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC001597015429 986366973 /nfs/dbraw/zinc/36/69/73/986366973.db2.gz AWZUJVWZBWKXIV-UHFFFAOYSA-N -1 0 354.362 2.867 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c1 ZINC000176408145 986925476 /nfs/dbraw/zinc/92/54/76/986925476.db2.gz YRBKIZVITLIEJN-UHFFFAOYSA-N -1 0 359.332 2.691 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000765941099 987192685 /nfs/dbraw/zinc/19/26/85/987192685.db2.gz AWAMPBSWPALRGB-FNORWQNLSA-N -1 0 365.414 2.866 20 30 FFEDRM CCC(C#N)(CC)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001594722643 987214726 /nfs/dbraw/zinc/21/47/26/987214726.db2.gz RVEAZQDAPDBZMI-NSHDSACASA-N -1 0 356.344 2.936 20 30 FFEDRM CCc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1CC(C)C ZINC001597412500 987706530 /nfs/dbraw/zinc/70/65/30/987706530.db2.gz KRJXJHLFFRPROJ-KRWDZBQOSA-N -1 0 355.394 2.956 20 30 FFEDRM CCc1ccc(C#CC(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)cc1 ZINC001597494978 988040149 /nfs/dbraw/zinc/04/01/49/988040149.db2.gz NGAIBAXLBIADBW-GOSISDBHSA-N -1 0 353.349 2.618 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000193379895 988259192 /nfs/dbraw/zinc/25/91/92/988259192.db2.gz YHLVUAUGGGGISG-RRQGHBQHSA-N -1 0 355.438 2.910 20 30 FFEDRM CSc1cc(C(=O)N(CC#N)CCC(=O)[O-])ccc1Br ZINC001599807639 988281560 /nfs/dbraw/zinc/28/15/60/988281560.db2.gz LLVBOVCDQAVZIE-UHFFFAOYSA-N -1 0 357.229 2.611 20 30 FFEDRM C[C@@H](CC1CCCCC1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001599834673 988723665 /nfs/dbraw/zinc/72/36/65/988723665.db2.gz KVHVEKHZCKALIP-LBPRGKRZSA-N -1 0 350.440 2.894 20 30 FFEDRM C[C@@H]1CN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001599856133 989091503 /nfs/dbraw/zinc/09/15/03/989091503.db2.gz SJLLOEDREKDOKI-WQAKAFBOSA-N -1 0 355.316 2.524 20 30 FFEDRM CCOC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000916887726 990011193 /nfs/dbraw/zinc/01/11/93/990011193.db2.gz YAPSRFZQSLYIAD-KRWDZBQOSA-N -1 0 365.389 2.894 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)nc2)cc1 ZINC000917037729 990097348 /nfs/dbraw/zinc/09/73/48/990097348.db2.gz AUYOJCPPMUDHSL-QGZVFWFLSA-N -1 0 367.405 2.516 20 30 FFEDRM CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(C)(C)CC(=O)[O-] ZINC001598002228 990132967 /nfs/dbraw/zinc/13/29/67/990132967.db2.gz AMCMTTZAWJTDDL-UHFFFAOYSA-N -1 0 361.417 2.625 20 30 FFEDRM CC(C)(CCC#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001590654596 990347916 /nfs/dbraw/zinc/34/79/16/990347916.db2.gz RDGRZKVLHOQZCA-UHFFFAOYSA-N -1 0 367.405 2.923 20 30 FFEDRM N#CCCCOc1cccc(NC(=O)C(=O)[N-]OCc2ccccc2)c1 ZINC000918447889 990396814 /nfs/dbraw/zinc/39/68/14/990396814.db2.gz NMEXVCNKIFSZIP-UHFFFAOYSA-N -1 0 353.378 2.556 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)cc2C)cc1 ZINC000154970351 990633524 /nfs/dbraw/zinc/63/35/24/990633524.db2.gz PPWQBAWAIVVKAW-LJQANCHMSA-N -1 0 350.418 2.993 20 30 FFEDRM CCOc1ccc(C[C@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C(=O)[O-])cc1 ZINC000923056227 990824418 /nfs/dbraw/zinc/82/44/18/990824418.db2.gz JOCFAMSQGKCHIA-IERDGZPVSA-N -1 0 370.449 2.919 20 30 FFEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000923081341 990840962 /nfs/dbraw/zinc/84/09/62/990840962.db2.gz RQOZEAWKCBDCEA-SKMDKRRUSA-N -1 0 356.422 2.772 20 30 FFEDRM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000923082711 990841067 /nfs/dbraw/zinc/84/10/67/990841067.db2.gz JKHBIZSEJBCSLT-LJQANCHMSA-N -1 0 356.426 2.527 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)C(=O)[O-] ZINC000923104669 990862714 /nfs/dbraw/zinc/86/27/14/990862714.db2.gz RNISVIGIDAMAFJ-NSHDSACASA-N -1 0 370.331 2.526 20 30 FFEDRM CC(C)[C@@H](C#N)N1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001590953335 991019188 /nfs/dbraw/zinc/01/91/88/991019188.db2.gz OXUCOFHUBXZWRF-HZPDHXFCSA-N -1 0 369.387 2.997 20 30 FFEDRM CN(C)c1cc(C#N)cc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001598287682 991190334 /nfs/dbraw/zinc/19/03/34/991190334.db2.gz JAHHWINTXJQHKR-KRWDZBQOSA-N -1 0 356.353 2.616 20 30 FFEDRM COc1ccccc1C[C@@H](CNc1cc(F)c(C#N)cc1[N+](=O)[O-])C(=O)[O-] ZINC001599706721 991303799 /nfs/dbraw/zinc/30/37/99/991303799.db2.gz DKLUJCAAGBYCFT-ZDUSSCGKSA-N -1 0 373.340 2.970 20 30 FFEDRM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179740517 991339410 /nfs/dbraw/zinc/33/94/10/991339410.db2.gz MIQNJXNTXCRMQQ-MRXNPFEDSA-N -1 0 351.406 2.730 20 30 FFEDRM N#CCCN(C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000740308819 991703256 /nfs/dbraw/zinc/70/32/56/991703256.db2.gz QOKWFKRNHQHDDT-KGLIPLIRSA-N -1 0 373.409 2.531 20 30 FFEDRM CC(C)C[C@@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC001591188238 991992909 /nfs/dbraw/zinc/99/29/09/991992909.db2.gz NLPCVRBETBWBSL-QGZVFWFLSA-N -1 0 362.401 2.956 20 30 FFEDRM CN(Cc1cc(C#N)ccn1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598507523 992525555 /nfs/dbraw/zinc/52/55/55/992525555.db2.gz SMKLXMXGGDZJMN-HNNXBMFYSA-N -1 0 360.211 2.973 20 30 FFEDRM CN(Cc1cc(C#N)cs1)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001598507631 992527158 /nfs/dbraw/zinc/52/71/58/992527158.db2.gz UYVZVATXRZRFLY-UHFFFAOYSA-N -1 0 370.839 2.792 20 30 FFEDRM CC(C)N1CCC[C@@H](ON=C(CCCCC(=O)[O-])C(F)(F)F)C1=O ZINC001591624536 992908767 /nfs/dbraw/zinc/90/87/67/992908767.db2.gz PGDHIKIRSQMJMI-LLVKDONJSA-N -1 0 352.353 2.966 20 30 FFEDRM O=C([O-])c1cc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)ccc1O ZINC000809157252 994429811 /nfs/dbraw/zinc/42/98/11/994429811.db2.gz IVSZCFNOFVPFQB-YCRREMRBSA-N -1 0 359.265 2.796 20 30 FFEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cc1ccc(OCC#N)cc1 ZINC001599646535 994432387 /nfs/dbraw/zinc/43/23/87/994432387.db2.gz YTRZBZLZDGJXFX-UHFFFAOYSA-N -1 0 354.362 2.501 20 30 FFEDRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC001599647599 994447197 /nfs/dbraw/zinc/44/71/97/994447197.db2.gz LKHASDDJJRWUDY-UGSOOPFHSA-N -1 0 368.389 2.618 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1conc1C1CC1 ZINC000810537065 994814225 /nfs/dbraw/zinc/81/42/25/994814225.db2.gz WZMNIMRILMXEAY-GFCCVEGCSA-N -1 0 369.377 2.879 20 30 FFEDRM COc1cccc(N(CCC#N)S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC001599678098 994931321 /nfs/dbraw/zinc/93/13/21/994931321.db2.gz UATSOFOHIHKUEB-UHFFFAOYSA-N -1 0 374.418 2.811 20 30 FFEDRM COc1cccc(N2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC001599679414 994954800 /nfs/dbraw/zinc/95/48/00/994954800.db2.gz XMPVOWXNEOSCHS-UHFFFAOYSA-N -1 0 351.406 2.587 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000810983424 994993266 /nfs/dbraw/zinc/99/32/66/994993266.db2.gz SUKAZLUFOCRWNH-UHFFFAOYSA-N -1 0 372.446 2.829 20 30 FFEDRM COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001598713555 995377052 /nfs/dbraw/zinc/37/70/52/995377052.db2.gz QRTMZRUPEQCALJ-GBESFXJTSA-N -1 0 364.401 2.573 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001593611852 995810620 /nfs/dbraw/zinc/81/06/20/995810620.db2.gz HHIDVOSLLYBSTE-TXZORMDMSA-N -1 0 374.462 2.571 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001593612049 995812970 /nfs/dbraw/zinc/81/29/70/995812970.db2.gz JQVBFEFCNFGBEE-CMPLNLGQSA-N -1 0 371.418 2.610 20 30 FFEDRM O=C([O-])C(=O)/C(=C\c1cnc(N2CCCC2)nc1)c1ccc2ccccc2n1 ZINC000728156546 996152238 /nfs/dbraw/zinc/15/22/38/996152238.db2.gz JRAHEKFATKRKHE-WJDWOHSUSA-N -1 0 374.400 2.819 20 30 FFEDRM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001593704575 996183717 /nfs/dbraw/zinc/18/37/17/996183717.db2.gz BGYRIINDVYLVSZ-YWZLYKJASA-N -1 0 365.433 2.835 20 30 FFEDRM COC(=O)c1cc(CN=Nc2cccc(C(=O)[O-])c2F)n2c1CCCC2 ZINC001598927771 997682866 /nfs/dbraw/zinc/68/28/66/997682866.db2.gz 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DSYMZGZXUTWJHC-IBGZPJMESA-N -1 0 366.458 2.657 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001588614946 1080122830 /nfs/dbraw/zinc/12/28/30/1080122830.db2.gz FGWAAKFGFQLEEI-UHFFFAOYSA-N -1 0 370.371 2.771 20 30 FFEDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-] ZINC001588653182 1080143684 /nfs/dbraw/zinc/14/36/84/1080143684.db2.gz RUWBVVRMNCUJJG-NSHDSACASA-N -1 0 358.847 2.769 20 30 FFEDRM C=CCn1c(C2CCCC2)nnc1N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001588703084 1080162438 /nfs/dbraw/zinc/16/24/38/1080162438.db2.gz JAZXRXCZOPONAP-UHFFFAOYSA-N -1 0 362.441 2.822 20 30 FFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001588743919 1080178349 /nfs/dbraw/zinc/17/83/49/1080178349.db2.gz FLIKWWPDVIFPAB-CGZBRXJRSA-N -1 0 351.468 2.737 20 30 FFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CCCCC1 ZINC001588768679 1080186781 /nfs/dbraw/zinc/18/67/81/1080186781.db2.gz AVSXCIOOEMQZHZ-UHFFFAOYSA-N -1 0 353.440 2.951 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588771297 1080188569 /nfs/dbraw/zinc/18/85/69/1080188569.db2.gz ROYCZRCPVOEWKB-HZMBPMFUSA-N -1 0 366.364 2.853 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cn3ccccc3n2)o1 ZINC001588781628 1080193027 /nfs/dbraw/zinc/19/30/27/1080193027.db2.gz HAZQCSFWYLQGSQ-UHFFFAOYSA-N -1 0 365.401 2.537 20 30 FFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001588781698 1080193598 /nfs/dbraw/zinc/19/35/98/1080193598.db2.gz DVYWDAQOMWLVHX-CQSZACIVSA-N -1 0 353.440 2.659 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cn(C(C)(C)C)nc1Br)C(=O)[O-] ZINC001588793665 1080198735 /nfs/dbraw/zinc/19/87/35/1080198735.db2.gz WFYMLVMVHURYOZ-LLVKDONJSA-N -1 0 372.263 2.940 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588794310 1080199660 /nfs/dbraw/zinc/19/96/60/1080199660.db2.gz QUHMWOWILFCRFF-RRFJBIMHSA-N -1 0 368.474 2.996 20 30 FFEDRM C=CCN([C@H](C)COC)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588822830 1080208506 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2.853 20 30 FFEDRM C=CCOc1ccc(CC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001588873844 1080225800 /nfs/dbraw/zinc/22/58/00/1080225800.db2.gz NFJRSHKJZRKVNF-UHFFFAOYSA-N -1 0 360.797 2.857 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)NCc2ccc(C(=O)[O-])nc2)cc1OC ZINC001588875068 1080226457 /nfs/dbraw/zinc/22/64/57/1080226457.db2.gz UDYLQOFCCXXLFK-TWGQIWQCSA-N -1 0 368.389 2.683 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)NCc2ccnc(C(=O)[O-])c2)cc1OC ZINC001588874886 1080226827 /nfs/dbraw/zinc/22/68/27/1080226827.db2.gz JPZLEHSPCOWQQA-FNORWQNLSA-N -1 0 368.389 2.683 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1OC ZINC001588874813 1080227171 /nfs/dbraw/zinc/22/71/71/1080227171.db2.gz HQFOLYSLWXJAJW-HWPRWLFBSA-N -1 0 373.327 2.795 20 30 FFEDRM C=CCn1c(-c2c[nH]c3cccnc23)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588887043 1080234881 /nfs/dbraw/zinc/23/48/81/1080234881.db2.gz ZQANDMBLMYXKMR-QWHCGFSZSA-N -1 0 366.425 2.554 20 30 FFEDRM C=CCn1c(-c2ccoc2)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588890029 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1080602069 /nfs/dbraw/zinc/60/20/69/1080602069.db2.gz WTQAXYFOURHHQP-INIZCTEOSA-N -1 0 352.390 2.978 20 30 FFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589558377 1080605869 /nfs/dbraw/zinc/60/58/69/1080605869.db2.gz PAMBJQWAFLAFSW-QGZVFWFLSA-N -1 0 372.446 2.634 20 30 FFEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 ZINC001589604118 1080631200 /nfs/dbraw/zinc/63/12/00/1080631200.db2.gz VSJAVHDYMLWTTE-ZDUSSCGKSA-N -1 0 350.365 2.999 20 30 FFEDRM CC(C)(C)C[C@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001589760870 1080715768 /nfs/dbraw/zinc/71/57/68/1080715768.db2.gz XHNGNVUZWGUIGS-CJNGLKHVSA-N -1 0 362.401 2.956 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3cc(N)ccc32)o1 ZINC001589773743 1080728991 /nfs/dbraw/zinc/72/89/91/1080728991.db2.gz KWUMZMYEWMGOIL-UHFFFAOYSA-N -1 0 352.402 2.713 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590138274 1081042626 /nfs/dbraw/zinc/04/26/26/1081042626.db2.gz 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Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1OC1CCOCC1 ZINC000288654576 257214709 /nfs/dbraw/zinc/21/47/09/257214709.db2.gz YJJDXZAYCHQKHR-UHFFFAOYSA-N -1 0 362.407 2.818 20 30 FFEDRM N#Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(Br)c1 ZINC000332300862 258224126 /nfs/dbraw/zinc/22/41/26/258224126.db2.gz KSQNJANCUMVOJP-GFCCVEGCSA-N -1 0 363.215 2.789 20 30 FFEDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000410404110 512255227 /nfs/dbraw/zinc/25/52/27/512255227.db2.gz NGTWTDLKZDOJOO-UHFFFAOYSA-N -1 0 361.379 2.974 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CCC#N)cc1Cl ZINC000066248065 506457752 /nfs/dbraw/zinc/45/77/52/506457752.db2.gz GLVQPDUBFQCZGM-UHFFFAOYSA-N -1 0 354.819 2.568 20 30 FFEDRM N#CC(=C([O-])c1ccn(-c2ccc(F)cc2)n1)c1nnc2n1CCCCC2 ZINC000041505353 506526399 /nfs/dbraw/zinc/52/63/99/506526399.db2.gz PVQWDFBJPVUFJM-HNNXBMFYSA-N -1 0 364.384 2.819 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CN2CCCCCCC2=O)c(C)c1 ZINC000054424576 506557529 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C=CCC[C@H](CO)NC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000455137696 515986848 /nfs/dbraw/zinc/98/68/48/515986848.db2.gz JFTICJXGYOWTMV-GFCCVEGCSA-N -1 0 352.847 2.729 20 30 FFEDRM C=CCN=c1[n-]nc(S(=O)(=O)CCCc2ccccc2Cl)s1 ZINC000479025994 516033346 /nfs/dbraw/zinc/03/33/46/516033346.db2.gz RBDTZLNTTLBULN-UHFFFAOYSA-N -1 0 357.888 2.618 20 30 FFEDRM CCCCN(C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N)[C@H]1CCC[C@H](C)C1 ZINC000488086067 516110380 /nfs/dbraw/zinc/11/03/80/516110380.db2.gz UWCOIZPPNGJKDH-RDJZCZTQSA-N -1 0 373.501 2.903 20 30 FFEDRM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)n[nH]2)o1 ZINC000507312042 516167863 /nfs/dbraw/zinc/16/78/63/516167863.db2.gz ITEOAXJRQIQQMJ-UHFFFAOYSA-N -1 0 373.376 2.991 20 30 FFEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)c1 ZINC000460726079 516231883 /nfs/dbraw/zinc/23/18/83/516231883.db2.gz LXICGVDMVVVKOI-UHFFFAOYSA-N -1 0 354.844 2.623 20 30 FFEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c[nH]1 ZINC000497369977 516316118 /nfs/dbraw/zinc/31/61/18/516316118.db2.gz ZKIVZVMERPYLTD-LBPRGKRZSA-N -1 0 352.375 2.810 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)sc1C ZINC000540210496 516476515 /nfs/dbraw/zinc/47/65/15/516476515.db2.gz AKJVWKAIDCXWKY-UHFFFAOYSA-N -1 0 373.463 2.677 20 30 FFEDRM COc1ccc(C2(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)CCC2)cc1OC ZINC000557928679 516510571 /nfs/dbraw/zinc/51/05/71/516510571.db2.gz AIDRKDFGXJLBDI-UHFFFAOYSA-N -1 0 366.421 2.658 20 30 FFEDRM N#Cc1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)cc1[O-] ZINC000561371881 516548051 /nfs/dbraw/zinc/54/80/51/516548051.db2.gz ZWDYOHQMHYPTGH-UHFFFAOYSA-N -1 0 359.332 2.631 20 30 FFEDRM Cc1cccc([C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C(=O)[O-])c1 ZINC000547875105 516613312 /nfs/dbraw/zinc/61/33/12/516613312.db2.gz WQTHGPKQUPUWCI-OAHLLOKOSA-N -1 0 364.810 2.624 20 30 FFEDRM Cc1cccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])c1 ZINC000547880770 516616030 /nfs/dbraw/zinc/61/60/30/516616030.db2.gz AGRSRICCLVQSFU-HNNXBMFYSA-N -1 0 364.810 2.624 20 30 FFEDRM Cc1cccc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])c1 ZINC000547880771 516616533 /nfs/dbraw/zinc/61/65/33/516616533.db2.gz AGRSRICCLVQSFU-OAHLLOKOSA-N -1 0 364.810 2.624 20 30 FFEDRM CC(C)(C)CC[C@](C)(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-] ZINC000551231342 516618518 /nfs/dbraw/zinc/61/85/18/516618518.db2.gz ONAMAJBCQUGTIB-INIZCTEOSA-N -1 0 356.419 2.645 20 30 FFEDRM CN([C@@H](C(=O)[O-])c1ccccc1Cl)S(=O)(=O)c1cccc(C#N)c1 ZINC000547911611 516630650 /nfs/dbraw/zinc/63/06/50/516630650.db2.gz QBLMYNQFZFXFEW-OAHLLOKOSA-N -1 0 364.810 2.658 20 30 FFEDRM C[C@H](Cc1ccc(NS(=O)(=O)CC2(C#N)CCCC2)cc1)C(=O)[O-] ZINC000547934049 516641263 /nfs/dbraw/zinc/64/12/63/516641263.db2.gz AOJKYFLGQUERCN-CYBMUJFWSA-N -1 0 350.440 2.775 20 30 FFEDRM N#Cc1cc(S(=O)(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])ccc1Cl ZINC000547940790 516647301 /nfs/dbraw/zinc/64/73/01/516647301.db2.gz AAMUWIOSKPOVHQ-UKRRQHHQSA-N -1 0 370.858 2.914 20 30 FFEDRM CCOC(=O)Cc1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000524127204 516648886 /nfs/dbraw/zinc/64/88/86/516648886.db2.gz IEWIFIHUQHXODL-UHFFFAOYSA-N -1 0 371.418 2.739 20 30 FFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N=c1[n-]nc(CCC)s1 ZINC000558271023 516673569 /nfs/dbraw/zinc/67/35/69/516673569.db2.gz DFSSJWVFUKWFPY-UHFFFAOYSA-N -1 0 350.444 2.608 20 30 FFEDRM C=CCOc1ccc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1OC ZINC000540781887 516709452 /nfs/dbraw/zinc/70/94/52/516709452.db2.gz MGCJDKDJWYZCHT-UHFFFAOYSA-N -1 0 371.389 2.767 20 30 FFEDRM CC1([C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C(=O)[O-])CCCCC1 ZINC000548028937 516716536 /nfs/dbraw/zinc/71/65/36/516716536.db2.gz CMJKQIHUNLMPDX-AWEZNQCLSA-N -1 0 370.858 2.914 20 30 FFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(C)cc(Br)c1)C(=O)[O-] ZINC000519097155 516882668 /nfs/dbraw/zinc/88/26/68/516882668.db2.gz PNVVYFYRRGOWAM-GFCCVEGCSA-N -1 0 357.204 2.535 20 30 FFEDRM N#CC(=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2)c1cnc2ccccc2n1 ZINC000558823147 516959140 /nfs/dbraw/zinc/95/91/40/516959140.db2.gz ZYUKXRRLRWLOTD-LLVKDONJSA-N -1 0 362.301 2.757 20 30 FFEDRM N#CC1(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC000552002548 517020840 /nfs/dbraw/zinc/02/08/40/517020840.db2.gz QURQAUUMAKONKM-UHFFFAOYSA-N -1 0 350.300 2.630 20 30 FFEDRM CC(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000548542775 517044282 /nfs/dbraw/zinc/04/42/82/517044282.db2.gz BQVCBCOAEDZMJD-KRWDZBQOSA-N -1 0 373.434 2.571 20 30 FFEDRM N#CC1(CS(=O)(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)CCCCC1 ZINC000548559342 517053302 /nfs/dbraw/zinc/05/33/02/517053302.db2.gz WYBLIBNFXIXUHS-UHFFFAOYSA-N -1 0 368.430 2.516 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)n(CCC#N)n1 ZINC000514966180 517147058 /nfs/dbraw/zinc/14/70/58/517147058.db2.gz PBLLZLCYWGTHPV-UHFFFAOYSA-N -1 0 370.381 2.550 20 30 FFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2C(=O)[O-])s1 ZINC000515074757 517201204 /nfs/dbraw/zinc/20/12/04/517201204.db2.gz YFOVUUYMQOJHTA-UHFFFAOYSA-N -1 0 362.432 2.769 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)s1 ZINC000520325697 517344670 /nfs/dbraw/zinc/34/46/70/517344670.db2.gz PBXAUCNZONWTSA-UHFFFAOYSA-N -1 0 359.226 2.889 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)cc1Cl ZINC000559840864 517449817 /nfs/dbraw/zinc/44/98/17/517449817.db2.gz RANCZJHSYRXQJE-UHFFFAOYSA-N -1 0 350.709 2.754 20 30 FFEDRM CC(C)(C)c1[n-]n(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c1CCC#N ZINC000559949345 517501266 /nfs/dbraw/zinc/50/12/66/517501266.db2.gz JPOIHNZDVBPBLW-UHFFFAOYSA-N -1 0 361.467 2.794 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCOc3ccc(C)cc3C2)cc1C#N ZINC000553170873 517556116 /nfs/dbraw/zinc/55/61/16/517556116.db2.gz FCNQAIPGPSQIAH-UHFFFAOYSA-N -1 0 355.419 2.724 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530135150 517584117 /nfs/dbraw/zinc/58/41/17/517584117.db2.gz XQTCDCDTYXLWBP-UHFFFAOYSA-N -1 0 374.344 2.510 20 30 FFEDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000556703369 517585318 /nfs/dbraw/zinc/58/53/18/517585318.db2.gz ZISXKFUQIZNDNY-YGRLFVJLSA-N -1 0 358.847 2.526 20 30 FFEDRM C=CCN=c1[n-]nc(Sc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)s1 ZINC000553248310 517599871 /nfs/dbraw/zinc/59/98/71/517599871.db2.gz OBBQTMUHPZZJMR-UHFFFAOYSA-N -1 0 366.424 2.712 20 30 FFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc(-n2cccn2)c1 ZINC000530284900 517681269 /nfs/dbraw/zinc/68/12/69/517681269.db2.gz PWTCVBNKCWTRBH-UHFFFAOYSA-N -1 0 372.381 2.692 20 30 FFEDRM C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C(=O)[O-] ZINC000563143110 517689054 /nfs/dbraw/zinc/68/90/54/517689054.db2.gz OFIDFSKGONQQFA-JOYOIKCWSA-N -1 0 366.215 2.895 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2c(F)cncc2F)cc1C#N ZINC000553765944 517892188 /nfs/dbraw/zinc/89/21/88/517892188.db2.gz CFADTOOSOUOKPS-SSDOTTSWSA-N -1 0 350.350 2.545 20 30 FFEDRM CC(C)Oc1ccc(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[n-]n1 ZINC000563521086 517957254 /nfs/dbraw/zinc/95/72/54/517957254.db2.gz DERFGDWFAWYYEB-INIZCTEOSA-N -1 0 351.410 2.756 20 30 FFEDRM N#Cc1ccccc1COc1ccc(C(=O)N=c2[n-]ncn2C2CC2)cc1 ZINC000560753274 518006473 /nfs/dbraw/zinc/00/64/73/518006473.db2.gz ZVNBHALNWNUENX-UHFFFAOYSA-N -1 0 359.389 2.738 20 30 FFEDRM C=CCN=c1[n-]nc(S[C@@H]2CCCN(c3cccc(F)c3)C2=O)s1 ZINC000522328047 518079098 /nfs/dbraw/zinc/07/90/98/518079098.db2.gz LMIVEMHDAIRLLR-CYBMUJFWSA-N -1 0 364.471 2.985 20 30 FFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000581294917 518215703 /nfs/dbraw/zinc/21/57/03/518215703.db2.gz QUAYRLGOGZNPGI-SUMWQHHRSA-N -1 0 368.380 2.542 20 30 FFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000569787706 518290917 /nfs/dbraw/zinc/29/09/17/518290917.db2.gz IAQCJPMGHPNTET-CYBMUJFWSA-N -1 0 356.806 2.905 20 30 FFEDRM COc1cc(CN(CC(=O)[O-])C(=O)Nc2ccc(C#N)cc2)cc(OC)c1 ZINC000567175940 518390120 /nfs/dbraw/zinc/39/01/20/518390120.db2.gz AQAQWNCMPULVEL-UHFFFAOYSA-N -1 0 369.377 2.694 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000572958527 518439878 /nfs/dbraw/zinc/43/98/78/518439878.db2.gz KVJFOGWNJMOTNN-SMDDNHRTSA-N -1 0 370.858 2.914 20 30 FFEDRM COc1c(NC(=O)c2ccc(C#N)c([O-])c2)cc(Cl)cc1C(=O)N(C)C ZINC000564551617 518498804 /nfs/dbraw/zinc/49/88/04/518498804.db2.gz DJRMKLCKSJVPTI-UHFFFAOYSA-N -1 0 373.796 2.880 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCc1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000579081527 518510590 /nfs/dbraw/zinc/51/05/90/518510590.db2.gz ZLGGUNHHOXPXOD-CYBMUJFWSA-N -1 0 360.332 2.846 20 30 FFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000570290716 518535208 /nfs/dbraw/zinc/53/52/08/518535208.db2.gz OQWJKAHRSSNJRN-GFCCVEGCSA-N -1 0 351.346 2.544 20 30 FFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)OC)oc2CC)s1 ZINC000564660129 518551149 /nfs/dbraw/zinc/55/11/49/518551149.db2.gz FALNDWZCTKCNCS-UHFFFAOYSA-N -1 0 368.436 2.925 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)ccc1C(=O)[O-] ZINC000585840078 518620086 /nfs/dbraw/zinc/62/00/86/518620086.db2.gz ATZCAVDDURVUDX-KRWDZBQOSA-N -1 0 356.403 2.531 20 30 FFEDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000586475230 518623920 /nfs/dbraw/zinc/62/39/20/518623920.db2.gz UBULTCWSCGXZKC-UHFFFAOYSA-N -1 0 369.406 2.588 20 30 FFEDRM CC(C)(C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(F)cc(C#N)c1 ZINC000586770266 518634907 /nfs/dbraw/zinc/63/49/07/518634907.db2.gz QXOMKCDEXKSBAG-UHFFFAOYSA-N -1 0 366.352 2.957 20 30 FFEDRM Cc1[nH]ncc1C([O-])=C(C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000570508883 518641197 /nfs/dbraw/zinc/64/11/97/518641197.db2.gz BCJKQVLOKIMUPU-SNVBAGLBSA-N -1 0 353.407 2.797 20 30 FFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1F ZINC000576572979 518656562 /nfs/dbraw/zinc/65/65/62/518656562.db2.gz CIWJGFMSLMUGHS-UHFFFAOYSA-N -1 0 354.366 2.955 20 30 FFEDRM C=CCc1cc(CNC(=O)N(CCC)[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC000570658207 518716664 /nfs/dbraw/zinc/71/66/64/518716664.db2.gz NOORHAPHZGTTBD-ZDUSSCGKSA-N -1 0 364.442 2.827 20 30 FFEDRM C=CCOC[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000579548876 518731467 /nfs/dbraw/zinc/73/14/67/518731467.db2.gz JAMPQIMQZXQYBG-LLVKDONJSA-N -1 0 363.197 2.779 20 30 FFEDRM C=CCOC[C@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000579548877 518732422 /nfs/dbraw/zinc/73/24/22/518732422.db2.gz JAMPQIMQZXQYBG-NSHDSACASA-N -1 0 363.197 2.779 20 30 FFEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)C(=O)[O-] ZINC000571042080 518899084 /nfs/dbraw/zinc/89/90/84/518899084.db2.gz JMSIXESDQRWMKY-AAEUAGOBSA-N -1 0 374.397 2.525 20 30 FFEDRM CC1(C)CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000577264664 518995545 /nfs/dbraw/zinc/99/55/45/518995545.db2.gz RULRGSMQDJXUMA-CYBMUJFWSA-N -1 0 370.858 2.670 20 30 FFEDRM CC1(C)CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000577264665 518995662 /nfs/dbraw/zinc/99/56/62/518995662.db2.gz RULRGSMQDJXUMA-ZDUSSCGKSA-N -1 0 370.858 2.670 20 30 FFEDRM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1nc(-c2ccncc2)cs1 ZINC000577524120 519123400 /nfs/dbraw/zinc/12/34/00/519123400.db2.gz XFORKYKUXQYJKH-OAHLLOKOSA-N -1 0 373.401 2.671 20 30 FFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F)C(=O)[O-] ZINC000574377104 519123899 /nfs/dbraw/zinc/12/38/99/519123899.db2.gz ASHQDDSMAIPDNY-GXFFZTMASA-N -1 0 354.378 2.623 20 30 FFEDRM CCOc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1C ZINC000574419951 519147585 /nfs/dbraw/zinc/14/75/85/519147585.db2.gz UMFRPYOFCFJQAH-UHFFFAOYSA-N -1 0 361.379 2.974 20 30 FFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(C#N)C2)c1 ZINC000590483185 519244237 /nfs/dbraw/zinc/24/42/37/519244237.db2.gz QYPALKQIVHWDFY-UHFFFAOYSA-N -1 0 369.446 2.700 20 30 FFEDRM N#CCc1cccc(S(=O)(=O)[N-]c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000590592688 519280197 /nfs/dbraw/zinc/28/01/97/519280197.db2.gz FPSJEJFWYVDDMW-UHFFFAOYSA-N -1 0 374.809 2.679 20 30 FFEDRM Cc1onc(N)c1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000569007008 519328660 /nfs/dbraw/zinc/32/86/60/519328660.db2.gz BDLWNQZTSOQKKU-VIFPVBQESA-N -1 0 352.441 2.591 20 30 FFEDRM C=CCOc1ccc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000583744223 519412578 /nfs/dbraw/zinc/41/25/78/519412578.db2.gz UKBLESUINHQPEA-UHFFFAOYSA-N -1 0 360.435 2.553 20 30 FFEDRM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000583833805 519456982 /nfs/dbraw/zinc/45/69/82/519456982.db2.gz FJHFQRBCBPDHRO-UHFFFAOYSA-N -1 0 357.395 2.791 20 30 FFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N=c1[n-]nc(CCCC)s1 ZINC000566389066 519468109 /nfs/dbraw/zinc/46/81/09/519468109.db2.gz JKDXRULXWHEPLJ-UHFFFAOYSA-N -1 0 364.471 2.998 20 30 FFEDRM N#Cc1ccc(CNC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000591269851 519566864 /nfs/dbraw/zinc/56/68/64/519566864.db2.gz WXNMTXRUJGEVGX-KRWDZBQOSA-N -1 0 369.396 2.973 20 30 FFEDRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1)C(=O)[O-] ZINC000594574945 520034441 /nfs/dbraw/zinc/03/44/41/520034441.db2.gz WMVBGXFFSKELPA-RYUDHWBXSA-N -1 0 370.858 2.723 20 30 FFEDRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1)C(=O)[O-] ZINC000594573791 520034734 /nfs/dbraw/zinc/03/47/34/520034734.db2.gz STIFSFKASWNJLB-RYUDHWBXSA-N -1 0 370.858 2.723 20 30 FFEDRM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000594574408 520034908 /nfs/dbraw/zinc/03/49/08/520034908.db2.gz KZJPKBVDRQXSGO-NEPJUHHUSA-N -1 0 370.858 2.866 20 30 FFEDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594671291 520076729 /nfs/dbraw/zinc/07/67/29/520076729.db2.gz LBSTVEHJWFLRQE-SNVBAGLBSA-N -1 0 366.464 2.955 20 30 FFEDRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)nn1 ZINC000594730897 520119102 /nfs/dbraw/zinc/11/91/02/520119102.db2.gz XCLRFUUHGVIUQY-UHFFFAOYSA-N -1 0 364.402 2.713 20 30 FFEDRM COCCOc1ccc(-c2ccc(N3CC(C(=O)[O-])C3)c(C#N)c2)cc1 ZINC000594874004 520203174 /nfs/dbraw/zinc/20/31/74/520203174.db2.gz HWHAALMKSVVLTC-UHFFFAOYSA-N -1 0 352.390 2.771 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)C2(COCc3ccccc3)CC2)nn1CCC#N ZINC000603419406 520256035 /nfs/dbraw/zinc/25/60/35/520256035.db2.gz NVWFBQWSYMFGBC-UHFFFAOYSA-N -1 0 374.466 2.596 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000600512825 520300795 /nfs/dbraw/zinc/30/07/95/520300795.db2.gz FZVFRKRRIIVKRX-GFCCVEGCSA-N -1 0 356.451 2.543 20 30 FFEDRM N#CC1(CS(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)CCCCC1 ZINC000613076214 520303445 /nfs/dbraw/zinc/30/34/45/520303445.db2.gz VBTLYBADUPBGOX-MRXNPFEDSA-N -1 0 365.499 2.810 20 30 FFEDRM N#CCC1CN(C(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000598032659 520385242 /nfs/dbraw/zinc/38/52/42/520385242.db2.gz FLJNBBSFIATEHI-UHFFFAOYSA-N -1 0 374.032 2.903 20 30 FFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C ZINC000609629738 520387672 /nfs/dbraw/zinc/38/76/72/520387672.db2.gz QAUDCDVAXZRZJU-UHFFFAOYSA-N -1 0 350.421 2.824 20 30 FFEDRM N#Cc1cccc(N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000600676694 520391481 /nfs/dbraw/zinc/39/14/81/520391481.db2.gz ZXOXGOWDEQTNBR-KRWDZBQOSA-N -1 0 356.813 2.555 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(c3cccc(F)c3F)CCCC2)[n-]1 ZINC000617277086 520409445 /nfs/dbraw/zinc/40/94/45/520409445.db2.gz FUTVEXVTYYIXJQ-UHFFFAOYSA-N -1 0 359.380 2.625 20 30 FFEDRM C[C@@H](C#N)N(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C1CC1 ZINC000598128049 520442782 /nfs/dbraw/zinc/44/27/82/520442782.db2.gz 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CCc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)no1 ZINC000610657390 520783577 /nfs/dbraw/zinc/78/35/77/520783577.db2.gz KLUDCRQEDUYEMO-UHFFFAOYSA-N -1 0 356.201 2.672 20 30 FFEDRM N#Cc1ccc(CC[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)cc1 ZINC000601462391 520797904 /nfs/dbraw/zinc/79/79/04/520797904.db2.gz ZBXRHFASXMEMRK-UHFFFAOYSA-N -1 0 351.815 2.598 20 30 FFEDRM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593201592 520822795 /nfs/dbraw/zinc/82/27/95/520822795.db2.gz ZPKZGQNVZRMDMR-UHFFFAOYSA-N -1 0 371.462 2.990 20 30 FFEDRM CC(C)C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)CC(=O)[O-] ZINC000595971410 520842617 /nfs/dbraw/zinc/84/26/17/520842617.db2.gz LZVPQYJKNOIMKW-LBPRGKRZSA-N -1 0 356.382 2.985 20 30 FFEDRM Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC000618072121 520865442 /nfs/dbraw/zinc/86/54/42/520865442.db2.gz NAMPQVRZBNMNHP-AWEZNQCLSA-N -1 0 358.419 2.531 20 30 FFEDRM Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])ccc1C#N ZINC000618072122 520865513 /nfs/dbraw/zinc/86/55/13/520865513.db2.gz NAMPQVRZBNMNHP-CQSZACIVSA-N -1 0 358.419 2.531 20 30 FFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000593279698 520876655 /nfs/dbraw/zinc/87/66/55/520876655.db2.gz JCNUSXQKIIUWGI-HNNXBMFYSA-N -1 0 360.439 2.863 20 30 FFEDRM N#Cc1ccc(Cc2cnc(NC(=O)NCC3(C(=O)[O-])CCC3)s2)cc1 ZINC000596056980 520883270 /nfs/dbraw/zinc/88/32/70/520883270.db2.gz DFCUITHUKUHTRI-UHFFFAOYSA-N -1 0 370.434 2.982 20 30 FFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000601739443 520927819 /nfs/dbraw/zinc/92/78/19/520927819.db2.gz VKHPDBLMMUSCRX-UHFFFAOYSA-N -1 0 370.840 2.921 20 30 FFEDRM N#Cc1ccc(CSc2n[n-]c(=NC(=O)c3nccs3)s2)cc1 ZINC000618344448 521010611 /nfs/dbraw/zinc/01/06/11/521010611.db2.gz WNZOVXCBAUGTPE-UHFFFAOYSA-N -1 0 359.461 2.833 20 30 FFEDRM Cn1nc2c(c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CCCC2 ZINC000601969969 521048927 /nfs/dbraw/zinc/04/89/27/521048927.db2.gz VAGDFTDGYOCSNJ-UHFFFAOYSA-N -1 0 350.831 2.625 20 30 FFEDRM CC(C)CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)c1ccc(C#N)cc1 ZINC000599208629 521088487 /nfs/dbraw/zinc/08/84/87/521088487.db2.gz KKASGOFQHVYKOO-UHFFFAOYSA-N -1 0 372.450 2.628 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc(C(=O)[O-])c1C ZINC000618632155 521154446 /nfs/dbraw/zinc/15/44/46/521154446.db2.gz IWVVEASMBAYANS-GOSISDBHSA-N -1 0 370.430 2.839 20 30 FFEDRM N#Cc1ccc(C2=CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)cc1 ZINC000596653082 521191466 /nfs/dbraw/zinc/19/14/66/521191466.db2.gz XRPAEOGJSMOULD-SFHVURJKSA-N -1 0 353.422 2.858 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000593920547 521294440 /nfs/dbraw/zinc/29/44/40/521294440.db2.gz AJBPTRUOJJYZOI-IGNZVWTISA-N -1 0 350.374 2.755 20 30 FFEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593944868 521307592 /nfs/dbraw/zinc/30/75/92/521307592.db2.gz NOJGLOJOHOZHDC-ZMLRMANQSA-N -1 0 370.858 2.625 20 30 FFEDRM CN(C(=O)N=c1[n-]nc(Cc2ccccc2F)s1)[C@@H]1CCC[C@@H]1C#N ZINC000602835177 521560131 /nfs/dbraw/zinc/56/01/31/521560131.db2.gz GTJKVEVYDWYRNR-TZMCWYRMSA-N -1 0 359.430 2.846 20 30 FFEDRM N#CCc1cccc(S(=O)(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000619471302 521584839 /nfs/dbraw/zinc/58/48/39/521584839.db2.gz BOTKUHJMVUOKDW-UHFFFAOYSA-N -1 0 372.446 2.808 20 30 FFEDRM C=CC[C@H]1N(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CCCC1(C)C ZINC000626675315 522365481 /nfs/dbraw/zinc/36/54/81/522365481.db2.gz BYKIUPMQNWDYER-CQSZACIVSA-N -1 0 351.472 2.660 20 30 FFEDRM C[C@@H]1C[C@H](C(=O)Nc2cccc(C#Cc3cccs3)c2)O[C@H]1C(=O)[O-] ZINC000630106342 522622624 /nfs/dbraw/zinc/62/26/24/522622624.db2.gz JFVKSJDIKVHSID-CSMYWGQOSA-N -1 0 355.415 2.965 20 30 FFEDRM C=CCc1cc(C(=O)N2CCc3occc3[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000630234853 522722284 /nfs/dbraw/zinc/72/22/84/522722284.db2.gz GIPHKNYFZNFPSA-KRWDZBQOSA-N -1 0 371.389 2.850 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)C(=O)[O-] ZINC000630324516 522791577 /nfs/dbraw/zinc/79/15/77/522791577.db2.gz 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O=C([O-])C[C@@H]1CCCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819357946 597064592 /nfs/dbraw/zinc/06/45/92/597064592.db2.gz PPEOJGAMESKPSC-AWEZNQCLSA-N -1 0 368.355 2.953 20 30 FFEDRM C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)[O-] ZINC000738976199 597318524 /nfs/dbraw/zinc/31/85/24/597318524.db2.gz DYDJFEHPDLWQAG-ZDUSSCGKSA-N -1 0 353.378 2.926 20 30 FFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H](C)C(=O)[O-])cc1C ZINC000818859070 597464382 /nfs/dbraw/zinc/46/43/82/597464382.db2.gz XYLPXFBSYQKTGS-AWEZNQCLSA-N -1 0 354.410 2.626 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000819811650 597662848 /nfs/dbraw/zinc/66/28/48/597662848.db2.gz TUWGXAKBLPKOOD-IFXJQAMLSA-N -1 0 373.457 2.563 20 30 FFEDRM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNCCC(=O)[O-] ZINC000821217284 597742697 /nfs/dbraw/zinc/74/26/97/597742697.db2.gz VQJBSGPHXGDHID-UHFFFAOYSA-N -1 0 355.225 2.945 20 30 FFEDRM N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C(=O)[O-])cn2)c1 ZINC000821340527 598206112 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FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000819833981 598226553 /nfs/dbraw/zinc/22/65/53/598226553.db2.gz LCOMKBFCVLTDEY-OAHLLOKOSA-N -1 0 354.328 2.858 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000819856165 598226949 /nfs/dbraw/zinc/22/69/49/598226949.db2.gz HHPACGLHYWYCOY-FQEVSTJZSA-N -1 0 366.373 2.987 20 30 FFEDRM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820317216 598227608 /nfs/dbraw/zinc/22/76/08/598227608.db2.gz ODSGQFNHGNIXLD-KRWDZBQOSA-N -1 0 365.817 2.522 20 30 FFEDRM COc1cccc(Oc2ncccc2CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820871235 598228484 /nfs/dbraw/zinc/22/84/84/598228484.db2.gz QYRJAGYFIGOQPT-IBGZPJMESA-N -1 0 369.377 2.503 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2cccc(Br)c2n1 ZINC000819856046 598229982 /nfs/dbraw/zinc/22/99/82/598229982.db2.gz FMUJQJWSJNSJOC-OAHLLOKOSA-N -1 0 362.183 2.940 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000819811626 598230021 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FFEDRM N#CCc1ccc(OCc2cccc(NC(=O)CCNC(=O)[O-])c2)cc1 ZINC000739092665 599723619 /nfs/dbraw/zinc/72/36/19/599723619.db2.gz SKZDJLLYTQSYPV-UHFFFAOYSA-N -1 0 353.378 2.928 20 30 FFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)CCNC(=O)[O-] ZINC000736108911 599729045 /nfs/dbraw/zinc/72/90/45/599729045.db2.gz VUGYGBKEVKWPMC-UHFFFAOYSA-N -1 0 359.195 2.761 20 30 FFEDRM CC(C)(C)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000736260416 599803512 /nfs/dbraw/zinc/80/35/12/599803512.db2.gz CZTFROASBTUKGD-UHFFFAOYSA-N -1 0 358.847 2.989 20 30 FFEDRM Cc1cc([C@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(=O)C2CC2)ccc1F ZINC000738230326 599851447 /nfs/dbraw/zinc/85/14/47/599851447.db2.gz KRAAFGHCOFYDOH-MRXNPFEDSA-N -1 0 372.396 2.928 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000738957706 599855227 /nfs/dbraw/zinc/85/52/27/599855227.db2.gz MDCYAWRPJHZINZ-MRXNPFEDSA-N -1 0 363.373 2.676 20 30 FFEDRM N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c(F)c1 ZINC000739119184 599886237 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FFEDRM Cc1cccc(C[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)C(=O)[O-])c1 ZINC000237545062 600066411 /nfs/dbraw/zinc/06/64/11/600066411.db2.gz KOBXTJSVXORWQB-QAPCUYQASA-N -1 0 366.417 2.694 20 30 FFEDRM COc1cccc([C@@H](C#N)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1OC ZINC000738090184 600070457 /nfs/dbraw/zinc/07/04/57/600070457.db2.gz QDUPEOYWQBEMPZ-MRXNPFEDSA-N -1 0 368.389 2.716 20 30 FFEDRM Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1 ZINC000738648649 600106211 /nfs/dbraw/zinc/10/62/11/600106211.db2.gz HLCKSEAVQTZUJQ-UHFFFAOYSA-N -1 0 351.767 2.986 20 30 FFEDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000736875285 600190656 /nfs/dbraw/zinc/19/06/56/600190656.db2.gz WIBSXCXKUWNTOW-YVEFUNNKSA-N -1 0 353.378 2.975 20 30 FFEDRM N#Cc1cccc(OCCCCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000739139050 600266988 /nfs/dbraw/zinc/26/69/88/600266988.db2.gz CJYCMLVWVOCTLC-QGZVFWFLSA-N -1 0 356.422 2.821 20 30 FFEDRM N#Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)nc1 ZINC000739123755 600402179 /nfs/dbraw/zinc/40/21/79/600402179.db2.gz UOSPVAKXGWSAGT-QGZVFWFLSA-N -1 0 356.813 2.555 20 30 FFEDRM CC(C)c1ccc(-c2nc(CC(=O)N(CC#N)CC(=O)[O-])cs2)cc1 ZINC000736515186 600404163 /nfs/dbraw/zinc/40/41/63/600404163.db2.gz HDARCGKAOFEBAA-UHFFFAOYSA-N -1 0 357.435 2.913 20 30 FFEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2C(=O)[O-])c1C#N ZINC000738252701 600436667 /nfs/dbraw/zinc/43/66/67/600436667.db2.gz HSCKWGQEUGCDBZ-KRWDZBQOSA-N -1 0 372.469 2.969 20 30 FFEDRM CC[C@@](NS(=O)(=O)c1cc(C#N)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000736920355 600516837 /nfs/dbraw/zinc/51/68/37/600516837.db2.gz LQGOGKBBODLHSE-SFHVURJKSA-N -1 0 358.419 2.535 20 30 FFEDRM C=CCN1C(=O)N[C@H](c2cc(OC)ccc2OC(F)F)C(C(=O)[O-])=C1C ZINC000736106688 600536069 /nfs/dbraw/zinc/53/60/69/600536069.db2.gz HREKVETXWIVZMP-CQSZACIVSA-N -1 0 368.336 2.908 20 30 FFEDRM N#Cc1ccc(NC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1Cl ZINC000739121844 600546677 /nfs/dbraw/zinc/54/66/77/600546677.db2.gz WNYSFKBYARVZEM-CYBMUJFWSA-N -1 0 373.796 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CC(C)(C)OC(=O)NC(C)(C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736272958 600614289 /nfs/dbraw/zinc/61/42/89/600614289.db2.gz RPLYGWFPDAJSDN-CYBMUJFWSA-N -1 0 362.382 2.530 20 30 FFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Br)cc1 ZINC000739074737 600630671 /nfs/dbraw/zinc/63/06/71/600630671.db2.gz LNDALRCXCJZCHY-ZDUSSCGKSA-N -1 0 360.167 2.537 20 30 FFEDRM N#Cc1ccc(-c2cccc(CNC(=O)N3CC[C@@H](C(=O)[O-])C3)c2)s1 ZINC000739098428 600653563 /nfs/dbraw/zinc/65/35/63/600653563.db2.gz FJIVHJMTROKFMH-CQSZACIVSA-N -1 0 355.419 2.903 20 30 FFEDRM COC(=O)c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1C(=O)[O-] ZINC000831423611 600662046 /nfs/dbraw/zinc/66/20/46/600662046.db2.gz HDVDRFAABQHZNR-UHFFFAOYSA-N -1 0 371.324 2.504 20 30 FFEDRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC000827747017 600708852 /nfs/dbraw/zinc/70/88/52/600708852.db2.gz INSILAUUZNKKPG-SNVBAGLBSA-N -1 0 364.810 2.949 20 30 FFEDRM N#Cc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833074814 600807468 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)c(F)c1 ZINC000910248793 981869435 /nfs/dbraw/zinc/86/94/35/981869435.db2.gz SCKXYWOWKVXHFK-LRDDRELGSA-N -1 0 359.357 2.629 20 30 FFEDRM CCCC[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001595636109 981912755 /nfs/dbraw/zinc/91/27/55/981912755.db2.gz ZAZYOAYGGSEUAP-CYBMUJFWSA-N -1 0 353.216 2.623 20 30 FFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001594816561 981951943 /nfs/dbraw/zinc/95/19/43/981951943.db2.gz HYPSAOPEXATXHL-ACJLOTCBSA-N -1 0 369.462 2.723 20 30 FFEDRM C=CCc1cc(C(=O)N2C[C@@H](CC)[C@](F)(C(=O)[O-])C2)cc(OC)c1OC ZINC000910557787 981996560 /nfs/dbraw/zinc/99/65/60/981996560.db2.gz KFRDDAYLCFJYCU-KUHUBIRLSA-N -1 0 365.401 2.707 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccccn2)c1C(C)C)C(=O)[O-] ZINC000910916610 982093735 /nfs/dbraw/zinc/09/37/35/982093735.db2.gz ZOOZDPOIOIDSDW-OAHLLOKOSA-N -1 0 356.426 2.930 20 30 FFEDRM CCCOCc1ccccc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595945881 983104083 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CCCCCNC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1C ZINC000193380668 1024496922 /nfs/dbraw/zinc/49/69/22/1024496922.db2.gz KGVQFQZNVRVXCF-KRWDZBQOSA-N -1 0 352.438 2.869 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000193414775 1024505493 /nfs/dbraw/zinc/50/54/93/1024505493.db2.gz LSFKPIHARBNILT-LLVKDONJSA-N -1 0 369.402 2.641 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1ccc(C)n1C ZINC000759236252 1024529170 /nfs/dbraw/zinc/52/91/70/1024529170.db2.gz PIGKNRIFTJZHNG-ZDUSSCGKSA-N -1 0 355.394 2.661 20 30 FFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000195069178 1024937749 /nfs/dbraw/zinc/93/77/49/1024937749.db2.gz SUYSMSQBWPXGCW-GFCCVEGCSA-N -1 0 373.844 2.891 20 30 FFEDRM CC(C)Oc1ccccc1CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195496984 1025028222 /nfs/dbraw/zinc/02/82/22/1025028222.db2.gz SHEVHEZEEFGAJV-UHFFFAOYSA-N -1 0 372.446 2.534 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000195496227 1025028497 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FFEDRM C=CCCCN(C)C(=O)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000643460537 1028012122 /nfs/dbraw/zinc/01/21/22/1028012122.db2.gz ABUBCOSGDNWZLC-UHFFFAOYSA-N -1 0 358.438 2.515 20 30 FFEDRM N#Cc1cc(NC(=O)c2cn3c(n2)CC[C@@H](C(F)(F)F)C3)c([O-])cc1F ZINC001153955881 1028085687 /nfs/dbraw/zinc/08/56/87/1028085687.db2.gz CXTLDJRXEUHHHW-SECBINFHSA-N -1 0 368.290 2.976 20 30 FFEDRM COc1ccc2c(c1)[n-]c(C(=O)Nc1ccc(C(C)(C)C#N)nc1)cc2=O ZINC001154110538 1028150253 /nfs/dbraw/zinc/15/02/53/1028150253.db2.gz IJNLEXZVQHPATG-UHFFFAOYSA-N -1 0 362.389 2.985 20 30 FFEDRM COc1ccc2c(c1)[n-]c(C(=O)Nc1cc(F)c(C#N)cc1OC)cc2=O ZINC001154118285 1028153195 /nfs/dbraw/zinc/15/31/95/1028153195.db2.gz NULUSUFIBAEIJY-UHFFFAOYSA-N -1 0 367.336 2.808 20 30 FFEDRM COc1ccc2c(c1)[n-]c(C(=O)Nc1ccc(F)c(C#N)c1F)cc2=O ZINC001154118978 1028153759 /nfs/dbraw/zinc/15/37/59/1028153759.db2.gz ZBYNHRJSTQUJCS-UHFFFAOYSA-N -1 0 355.300 2.939 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2c(C)nn(C(C)C)c2C)n1 ZINC000795886654 1028230775 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CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C#N)s1 ZINC001250810678 1041378788 /nfs/dbraw/zinc/37/87/88/1041378788.db2.gz ZNCCRDLDBOQBFF-UHFFFAOYSA-N -1 0 370.843 2.736 20 30 FFEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC(OCCC(C)C)CC1 ZINC001262960539 1041990651 /nfs/dbraw/zinc/99/06/51/1041990651.db2.gz FVMGRYMUQUEDJW-UHFFFAOYSA-N -1 0 374.489 2.602 20 30 FFEDRM COc1c(C([O-])=C(C#N)C(=O)NCc2ccccc2)cnn1-c1ccccc1 ZINC001263292994 1042225202 /nfs/dbraw/zinc/22/52/02/1042225202.db2.gz ZCCXQOVMQYPOCB-KRWDZBQOSA-N -1 0 374.400 2.520 20 30 FFEDRM C=CCCn1cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)nn1 ZINC001265025196 1042839379 /nfs/dbraw/zinc/83/93/79/1042839379.db2.gz KLOFMZDWNPEODD-UHFFFAOYSA-N -1 0 358.402 2.688 20 30 FFEDRM CC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1F ZINC001309614435 1043455301 /nfs/dbraw/zinc/45/53/01/1043455301.db2.gz OMBSNTGJDYSACN-MRXNPFEDSA-N -1 0 366.801 2.959 20 30 FFEDRM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cccc(O)c2F)cc1C#N ZINC001279688920 1043471237 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FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccsc2)cc1F ZINC001324363263 1045990376 /nfs/dbraw/zinc/99/03/76/1045990376.db2.gz XCNPZMGYVJNMCT-UHFFFAOYSA-N -1 0 362.411 2.804 20 30 FFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc1 ZINC001322287264 1046029207 /nfs/dbraw/zinc/02/92/07/1046029207.db2.gz XDXBADAYYYKWAC-UHFFFAOYSA-N -1 0 352.419 2.798 20 30 FFEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ncc(C3CCOCC3)s2)cc1 ZINC001325197975 1046412968 /nfs/dbraw/zinc/41/29/68/1046412968.db2.gz XWTTWHSXFLUVGX-UHFFFAOYSA-N -1 0 363.464 2.904 20 30 FFEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC001325218618 1046421437 /nfs/dbraw/zinc/42/14/37/1046421437.db2.gz SPTPURSJCJGYCQ-OAHLLOKOSA-N -1 0 370.775 2.692 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cc(F)cc(F)c3C2)cc1C#N ZINC001540287454 1070821852 /nfs/dbraw/zinc/82/18/52/1070821852.db2.gz UPMCPJMWXJQNNB-UHFFFAOYSA-N -1 0 361.373 2.857 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccc(Cl)c(F)c2)CCCC1 ZINC001328930710 1048522161 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FFEDRM C=CC[C@H](NC(=O)CCCOc1ccccc1Br)C(=O)[O-] ZINC001339864871 1050281247 /nfs/dbraw/zinc/28/12/47/1050281247.db2.gz ICGYZBBUESPVGZ-LBPRGKRZSA-N -1 0 356.216 2.754 20 30 FFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001340331060 1050730222 /nfs/dbraw/zinc/73/02/22/1050730222.db2.gz HXBIKKFMQANXIQ-NSHDSACASA-N -1 0 370.379 2.832 20 30 FFEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001340479490 1050874942 /nfs/dbraw/zinc/87/49/42/1050874942.db2.gz DTCMVXHZOKHSCU-LBPRGKRZSA-N -1 0 368.416 2.833 20 30 FFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC(C(C)C)CC1 ZINC001340672945 1051042382 /nfs/dbraw/zinc/04/23/82/1051042382.db2.gz WTNLODBKIYZJTB-UHFFFAOYSA-N -1 0 352.442 2.976 20 30 FFEDRM C=CCCCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CCc1ccccc1 ZINC001342457654 1051055689 /nfs/dbraw/zinc/05/56/89/1051055689.db2.gz JEPHVYKBOJDPTQ-UHFFFAOYSA-N -1 0 366.469 2.537 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC001302550778 1051132873 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FFEDRM Cn1c(=O)[n-]c(N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c(C#N)c1=O ZINC001307195536 1052265518 /nfs/dbraw/zinc/26/55/18/1052265518.db2.gz YGNWLCKLJDJRSC-HOCLYGCPSA-N -1 0 352.438 2.720 20 30 FFEDRM Cc1sc(-n2cccc2)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1C ZINC001345229749 1052331335 /nfs/dbraw/zinc/33/13/35/1052331335.db2.gz PXGJWQFXZRNKTO-UHFFFAOYSA-N -1 0 363.464 2.519 20 30 FFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001343618748 1052339413 /nfs/dbraw/zinc/33/94/13/1052339413.db2.gz QOAGXGMFJIUYLU-MRXNPFEDSA-N -1 0 370.457 2.579 20 30 FFEDRM C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001343785577 1052419200 /nfs/dbraw/zinc/41/92/00/1052419200.db2.gz ARJVRBQHPQWNRC-GDNBJRDFSA-N -1 0 364.453 2.618 20 30 FFEDRM Cc1ccc(Br)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC001343823394 1052438084 /nfs/dbraw/zinc/43/80/84/1052438084.db2.gz OGABDPORHXHVOY-LLVKDONJSA-N -1 0 374.242 2.961 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1Cc2ccc(O)cc2C1 ZINC001343966895 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2.574 20 30 FFEDRM C=C(C)CCC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001349953726 1055557676 /nfs/dbraw/zinc/55/76/76/1055557676.db2.gz HIJUQKKFYCZUBM-QGZVFWFLSA-N -1 0 350.846 2.966 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC001300210478 1056120995 /nfs/dbraw/zinc/12/09/95/1056120995.db2.gz HNKINQTXJKAXCD-NSHDSACASA-N -1 0 367.327 2.796 20 30 FFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCC[C@@H](CF)C1 ZINC001358057620 1056121924 /nfs/dbraw/zinc/12/19/24/1056121924.db2.gz NMQGMGOOJBARTN-ZDUSSCGKSA-N -1 0 358.421 2.759 20 30 FFEDRM N#Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1 ZINC001544236859 1071617096 /nfs/dbraw/zinc/61/70/96/1071617096.db2.gz NTZOPNRIAJXMQK-UHFFFAOYSA-N -1 0 354.316 2.658 20 30 FFEDRM CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001339326887 1056333473 /nfs/dbraw/zinc/33/34/73/1056333473.db2.gz LAWGOOPDTFPNJK-KBPBESRZSA-N -1 0 352.442 2.954 20 30 FFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1c([O-])cc(F)cc1F ZINC000613139600 1056486364 /nfs/dbraw/zinc/48/63/64/1056486364.db2.gz MGAUHRSHHGKVGH-UHFFFAOYSA-N -1 0 355.304 2.684 20 30 FFEDRM N#CC(C(=O)c1ccc2c(n1)OCCO2)=C([O-])c1cc2c(s1)CCCC2 ZINC000847737796 1056496554 /nfs/dbraw/zinc/49/65/54/1056496554.db2.gz WGXPJUPVFFFGLR-GFCCVEGCSA-N -1 0 368.414 2.998 20 30 FFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1Cc2cc(F)c(F)cc2C1 ZINC001339484506 1056498088 /nfs/dbraw/zinc/49/80/88/1056498088.db2.gz PYQNCMINMDAMPX-UHFFFAOYSA-N -1 0 372.379 2.852 20 30 FFEDRM C=CCn1c([C@H](O)C(C)C)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001339689731 1056711900 /nfs/dbraw/zinc/71/19/00/1056711900.db2.gz HKYHUJBJDPXBJU-CYBMUJFWSA-N -1 0 374.470 2.500 20 30 FFEDRM C#CCOc1cc(F)ccc1NC(=O)c1ncc(Br)cc1[O-] ZINC001545088483 1071731614 /nfs/dbraw/zinc/73/16/14/1071731614.db2.gz JBWMAPJTIDYKCY-UHFFFAOYSA-N -1 0 365.158 2.953 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(c2ccc(F)cc2)CCOCC1 ZINC001448805117 1058823911 /nfs/dbraw/zinc/82/39/11/1058823911.db2.gz HHXWNTYDMFXHRG-UHFFFAOYSA-N -1 0 355.369 2.542 20 30 FFEDRM C#C[C@H](CCC)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001448939580 1058842628 /nfs/dbraw/zinc/84/26/28/1058842628.db2.gz XQRCIXBEKWNPTL-LLVKDONJSA-N -1 0 362.773 2.671 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC001547446269 1071957573 /nfs/dbraw/zinc/95/75/73/1071957573.db2.gz QDMMHTVESRMPHF-UHFFFAOYSA-N -1 0 372.812 2.710 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Br)cn2)cc1C#N ZINC001355731939 1060541401 /nfs/dbraw/zinc/54/14/01/1060541401.db2.gz POIGCKVXGDDWNS-UHFFFAOYSA-N -1 0 365.212 2.791 20 30 FFEDRM COc1ccc2c(c1)N(C(=O)c1cc(C#N)c(SC)[n-]c1=O)C[C@@H](C)O2 ZINC001517604152 1060567010 /nfs/dbraw/zinc/56/70/10/1060567010.db2.gz CVSPXCYUNLJQAA-SNVBAGLBSA-N -1 0 371.418 2.817 20 30 FFEDRM N#Cc1c[n-]c(=O)n(Cc2ccc(Oc3ccccc3F)c(F)c2)c1=O ZINC001459137122 1060714076 /nfs/dbraw/zinc/71/40/76/1060714076.db2.gz LEUXUPHDDNQSGS-UHFFFAOYSA-N -1 0 355.300 2.527 20 30 FFEDRM C#Cc1ccc(CNS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)cc1 ZINC001463744792 1062239573 /nfs/dbraw/zinc/23/95/73/1062239573.db2.gz LBKJWXNHDAAKIU-UHFFFAOYSA-N -1 0 371.336 2.751 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)cc1C#N ZINC001545697501 1062288612 /nfs/dbraw/zinc/28/86/12/1062288612.db2.gz OVBDYLQRKFNUFP-NSHDSACASA-N -1 0 357.435 2.790 20 30 FFEDRM Cc1cc(Br)c(CC(=O)C(C#N)=C([O-])c2nccn2C)s1 ZINC001524985884 1063084369 /nfs/dbraw/zinc/08/43/69/1063084369.db2.gz TXRLBBXOESKZKG-SECBINFHSA-N -1 0 366.240 2.687 20 30 FFEDRM C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC001575188925 1078114620 /nfs/dbraw/zinc/11/46/20/1078114620.db2.gz LCRIDDNEIOGFTK-LBPRGKRZSA-N -1 0 365.368 2.799 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)NCCC3CC=CC3)cc2[n-]c1=S ZINC001472618133 1065112894 /nfs/dbraw/zinc/11/28/94/1065112894.db2.gz WHBXADNBOIXCKJ-UHFFFAOYSA-N -1 0 355.463 2.957 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001583297108 1079188762 /nfs/dbraw/zinc/18/87/62/1079188762.db2.gz KNUNHRJQORCGOT-MRXNPFEDSA-N -1 0 365.368 2.691 20 30 FFEDRM C=C(C)CO[N-]C(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001557329490 1075839855 /nfs/dbraw/zinc/83/98/55/1075839855.db2.gz JWEZIMACJPSJIF-IBGZPJMESA-N -1 0 368.474 2.543 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOc2ccc(Br)cc21 ZINC001557454204 1075851639 /nfs/dbraw/zinc/85/16/39/1075851639.db2.gz ZVAZQNSEDUGROA-UHFFFAOYSA-N -1 0 374.194 2.769 20 30 FFEDRM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC001561689689 1076407912 /nfs/dbraw/zinc/40/79/12/1076407912.db2.gz XGHBJOFRBAKLON-CYBMUJFWSA-N -1 0 350.783 2.901 20 30 FFEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(CC#N)n2)cc1[N+](=O)[O-] ZINC001561966313 1076455840 /nfs/dbraw/zinc/45/58/40/1076455840.db2.gz CMTJHRKSEUPORG-UHFFFAOYSA-N -1 0 366.786 2.819 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(CCO)[C@H](C)c2ccccc2)cc1C#N ZINC001566968611 1076991379 /nfs/dbraw/zinc/99/13/79/1076991379.db2.gz ZJLGGDNQZWJQHG-GFCCVEGCSA-N -1 0 357.435 2.576 20 30 FFEDRM CNc1ccc(C#N)cc1NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001568071124 1077070151 /nfs/dbraw/zinc/07/01/51/1077070151.db2.gz CMWDHFORFYSKBI-UHFFFAOYSA-N -1 0 366.299 2.624 20 30 FFEDRM CCOC(=O)c1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c(F)cc1C ZINC001568959211 1077120682 /nfs/dbraw/zinc/12/06/82/1077120682.db2.gz KYBWYLWNQRYCFU-UHFFFAOYSA-N -1 0 357.341 2.844 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC001573339644 1077244742 /nfs/dbraw/zinc/24/47/42/1077244742.db2.gz UOBYAILNALREBM-RYUDHWBXSA-N -1 0 362.854 2.734 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CCOC)c1cccc(C(F)(F)F)c1 ZINC001573317575 1077668940 /nfs/dbraw/zinc/66/89/40/1077668940.db2.gz KUVHBVANOLDKEJ-CQSZACIVSA-N -1 0 372.343 2.512 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(CC)c2)nc1 ZINC001573318033 1077669545 /nfs/dbraw/zinc/66/95/45/1077669545.db2.gz RYCJSWREKSPHPL-UHFFFAOYSA-N -1 0 353.378 2.988 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC001573319604 1077669744 /nfs/dbraw/zinc/66/97/44/1077669744.db2.gz DROSBMFIPSZETQ-UHFFFAOYSA-N -1 0 367.430 2.864 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001573325836 1077670686 /nfs/dbraw/zinc/67/06/86/1077670686.db2.gz PBTULKQQVXBZDM-HIFRSBDPSA-N -1 0 358.221 2.831 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001573328783 1077671309 /nfs/dbraw/zinc/67/13/09/1077671309.db2.gz OCWQMPFZYIHPTE-UWWQBHOKSA-N -1 0 355.438 2.957 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001573332006 1077672455 /nfs/dbraw/zinc/67/24/55/1077672455.db2.gz GRRCBSBAORIAHK-HIFRSBDPSA-N -1 0 368.474 2.949 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC001573338801 1077674190 /nfs/dbraw/zinc/67/41/90/1077674190.db2.gz JHFGKNXXTNJRNT-BDJLRTHQSA-N -1 0 362.854 2.782 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573357544 1077681080 /nfs/dbraw/zinc/68/10/80/1077681080.db2.gz OSHKIOWYLHXNOH-KGLIPLIRSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001573360286 1077681968 /nfs/dbraw/zinc/68/19/68/1077681968.db2.gz LJBBCEAFCDDCIJ-QGZVFWFLSA-N -1 0 370.405 2.516 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC001573363399 1077683584 /nfs/dbraw/zinc/68/35/84/1077683584.db2.gz JJHHKXKVTDANME-ABAIWWIYSA-N -1 0 369.190 2.696 20 30 FFEDRM C=CCSCCn1c(CC(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573378636 1077687635 /nfs/dbraw/zinc/68/76/35/1077687635.db2.gz QIRYGWWSCVAECU-UHFFFAOYSA-N -1 0 352.504 2.697 20 30 FFEDRM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21 ZINC001573414340 1077696346 /nfs/dbraw/zinc/69/63/46/1077696346.db2.gz ROOYLQVITZODNG-SIFCLUCFSA-N -1 0 372.421 2.677 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573608666 1077754703 /nfs/dbraw/zinc/75/47/03/1077754703.db2.gz VVXWQACUZIEZCQ-BTYIYWSLSA-N -1 0 350.418 2.896 20 30 FFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 ZINC001573821992 1077808526 /nfs/dbraw/zinc/80/85/26/1077808526.db2.gz ZHEFJRNLIDUXLX-IBGZPJMESA-N -1 0 355.394 2.967 20 30 FFEDRM CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](C)C(=O)[O-] ZINC001573874810 1077830788 /nfs/dbraw/zinc/83/07/88/1077830788.db2.gz XCZRJXBKCYJQFO-NSHDSACASA-N -1 0 358.423 2.932 20 30 FFEDRM C[C@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001574289406 1077948965 /nfs/dbraw/zinc/94/89/65/1077948965.db2.gz MQWNQSQAQSPMDS-SCLBCKFNSA-N -1 0 363.373 2.882 20 30 FFEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001574489460 1078001344 /nfs/dbraw/zinc/00/13/44/1078001344.db2.gz JCGFAHJSJKDPEO-GOSISDBHSA-N -1 0 350.374 2.829 20 30 FFEDRM N#Cc1ccc(F)c(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001574488521 1078001592 /nfs/dbraw/zinc/00/15/92/1078001592.db2.gz QYHBBPGUHKTHQY-AWEZNQCLSA-N -1 0 357.385 2.881 20 30 FFEDRM COc1cc(C)c([C@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1OC ZINC001585886516 1079508874 /nfs/dbraw/zinc/50/88/74/1079508874.db2.gz MJEWQTXMMMOSFK-LBPRGKRZSA-N -1 0 355.394 2.784 20 30 FFEDRM C#C[C@H](NC(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)(C)C ZINC001588371077 1079995062 /nfs/dbraw/zinc/99/50/62/1079995062.db2.gz VKWJKYXWVNWRLE-INIZCTEOSA-N -1 0 352.390 2.641 20 30 FFEDRM C#C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCOCC1 ZINC001588372322 1079995069 /nfs/dbraw/zinc/99/50/69/1079995069.db2.gz IDWHPZBRJDKZMU-IRXDYDNUSA-N -1 0 358.438 2.566 20 30 FFEDRM C#C[C@H](CCC)NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC001588370639 1079995145 /nfs/dbraw/zinc/99/51/45/1079995145.db2.gz JKOWJIRDTLXAFR-LLVKDONJSA-N -1 0 350.396 2.693 20 30 FFEDRM C#C[C@H](C)N(C)C(=O)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001588368813 1079995487 /nfs/dbraw/zinc/99/54/87/1079995487.db2.gz SPKJSZQLWPWXOI-LBPRGKRZSA-N -1 0 370.430 2.840 20 30 FFEDRM C#CC[C@H](CC)c1nnc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1C ZINC001588390075 1080001278 /nfs/dbraw/zinc/00/12/78/1080001278.db2.gz KOUYWFJEJXIZRI-LBPRGKRZSA-N -1 0 373.482 2.871 20 30 FFEDRM C#CC[C@H](CC)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1C[C@H]1CCCO1 ZINC001588389787 1080002170 /nfs/dbraw/zinc/00/21/70/1080002170.db2.gz ATLJAFCLRPCFMI-TWMKSMIVSA-N -1 0 374.485 2.521 20 30 FFEDRM C#CCC(C)(C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1Cc1ccccc1 ZINC001588390635 1080002761 /nfs/dbraw/zinc/00/27/61/1080002761.db2.gz ZLJJHCZEMMGXEB-INIZCTEOSA-N -1 0 352.438 2.538 20 30 FFEDRM C#CC[C@@H](CC)c1nnc(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1C ZINC001588390651 1080003273 /nfs/dbraw/zinc/00/32/73/1080003273.db2.gz ZTTIOWDZYJLCNQ-OIISXLGYSA-N -1 0 352.438 2.637 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC001588412375 1080015306 /nfs/dbraw/zinc/01/53/06/1080015306.db2.gz BXDUIWOHSHRCFP-UHFFFAOYSA-N -1 0 354.410 2.856 20 30 FFEDRM C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C(=O)[O-] ZINC001588414231 1080017011 /nfs/dbraw/zinc/01/70/11/1080017011.db2.gz JRYFXLJDVWJOCQ-CQSZACIVSA-N -1 0 362.407 2.836 20 30 FFEDRM C#CC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21)C(=O)[O-] ZINC001588413808 1080017292 /nfs/dbraw/zinc/01/72/92/1080017292.db2.gz IUCLOGWOHZDCGH-CQSZACIVSA-N -1 0 367.361 2.614 20 30 FFEDRM C#CC[C@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl)C(=O)[O-] ZINC001588413635 1080017708 /nfs/dbraw/zinc/01/77/08/1080017708.db2.gz DQWAGBXYGYLGPG-ZDUSSCGKSA-N -1 0 366.801 2.893 20 30 FFEDRM C#CC[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC001588415683 1080019509 /nfs/dbraw/zinc/01/95/09/1080019509.db2.gz FFFAHEDYCYUENY-HNNXBMFYSA-N -1 0 350.399 2.916 20 30 FFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(OCCC)c(C(C)(C)C)c1)C(=O)[O-] ZINC001588428551 1080023518 /nfs/dbraw/zinc/02/35/18/1080023518.db2.gz SIHCPNZWIROZHV-HNNXBMFYSA-N -1 0 367.467 2.528 20 30 FFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1OCC)c1ccccc1 ZINC001588424290 1080023618 /nfs/dbraw/zinc/02/36/18/1080023618.db2.gz USTDGWSKPKUDJE-MRXNPFEDSA-N -1 0 373.430 2.826 20 30 FFEDRM C#CC[C@@]1(C(=O)N[C@@H](CCCC)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588428704 1080023745 /nfs/dbraw/zinc/02/37/45/1080023745.db2.gz YKKKRLCASVITAF-LIRRHRJNSA-N -1 0 366.458 2.539 20 30 FFEDRM C#CCSCC(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001588432770 1080025235 /nfs/dbraw/zinc/02/52/35/1080025235.db2.gz CFWUESIFFQXKMD-NSHDSACASA-N -1 0 368.252 2.720 20 30 FFEDRM C#Cc1cccc(N(CC)C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001588439424 1080028744 /nfs/dbraw/zinc/02/87/44/1080028744.db2.gz VGEPBVZVSPKDBP-IBGZPJMESA-N -1 0 361.401 2.740 20 30 FFEDRM C=C(C)[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588442043 1080029127 /nfs/dbraw/zinc/02/91/27/1080029127.db2.gz NZFBQRCMRDFDEF-DCGLDWPTSA-N -1 0 353.365 2.968 20 30 FFEDRM C#CCCCc1nnc(N2CCc3ccc(C(=O)[O-])nc3C2)n1CC(C)C ZINC001588447198 1080030155 /nfs/dbraw/zinc/03/01/55/1080030155.db2.gz SBJWREOBNCEVCA-UHFFFAOYSA-N -1 0 367.453 2.546 20 30 FFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC001588509906 1080062107 /nfs/dbraw/zinc/06/21/07/1080062107.db2.gz SSXIVMOJNYATMR-UHFFFAOYSA-N -1 0 354.410 2.885 20 30 FFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])c1 ZINC001588523294 1080077147 /nfs/dbraw/zinc/07/71/47/1080077147.db2.gz FYVVLCJYWXGJQT-UHFFFAOYSA-N -1 0 373.430 2.519 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1)C(=O)[O-] ZINC001588537281 1080084728 /nfs/dbraw/zinc/08/47/28/1080084728.db2.gz LDGWJRRKKBMUMJ-NVXWUHKLSA-N -1 0 358.438 2.528 20 30 FFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001588542700 1080088121 /nfs/dbraw/zinc/08/81/21/1080088121.db2.gz CBLQHYNIPACRNY-XHDPSFHLSA-N -1 0 373.438 2.619 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588542610 1080088153 /nfs/dbraw/zinc/08/81/53/1080088153.db2.gz NJLVUSLINPOLHZ-HZSPNIEDSA-N -1 0 354.447 2.606 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001588547514 1080090699 /nfs/dbraw/zinc/09/06/99/1080090699.db2.gz DIBBQAUMABKKEP-GFCCVEGCSA-N -1 0 361.379 2.868 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C(C)C)[nH]n2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588577357 1080105406 /nfs/dbraw/zinc/10/54/06/1080105406.db2.gz SJBJQFFYEPNPIV-UHFFFAOYSA-N -1 0 358.446 2.669 20 30 FFEDRM C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588578742 1080106017 /nfs/dbraw/zinc/10/60/17/1080106017.db2.gz OYTXQRDDSTWBJA-UHFFFAOYSA-N -1 0 364.409 2.505 20 30 FFEDRM C=C(C)Cn1c(-c2coc(NC)n2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588589225 1080112132 /nfs/dbraw/zinc/11/21/32/1080112132.db2.gz JHXOANYXZYTTAG-ZDUSSCGKSA-N -1 0 374.445 2.632 20 30 FFEDRM C=C(C)Cn1c(-c2nccs2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588589192 1080112777 /nfs/dbraw/zinc/11/27/77/1080112777.db2.gz IITMXYKCPJOHIP-SJCJKPOMSA-N -1 0 359.455 2.669 20 30 FFEDRM C=C(C)Cn1c([C@H](O)/C=C\CC)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588591213 1080114346 /nfs/dbraw/zinc/11/43/46/1080114346.db2.gz GOSWJZMOGURMFS-DOIGFLALSA-N -1 0 360.458 2.545 20 30 FFEDRM C=C(C)Cn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588590972 1080114730 /nfs/dbraw/zinc/11/47/30/1080114730.db2.gz CZZPTNHJZGFDKV-HOTGVXAUSA-N -1 0 362.474 2.828 20 30 FFEDRM C=C(C)Cn1c([C@@H]2CCCC[C@H]2O)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588592450 1080115496 /nfs/dbraw/zinc/11/54/96/1080115496.db2.gz YIKHGMVWQZEJNT-SPYBWZPUSA-N -1 0 362.474 2.564 20 30 FFEDRM C=C(C)Cn1c(C[C@H](C)SCC)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588598328 1080118377 /nfs/dbraw/zinc/11/83/77/1080118377.db2.gz YXLDDGOBGBGTQV-SUMWQHHRSA-N -1 0 352.504 2.839 20 30 FFEDRM C=C(C)Cn1c(Cc2cc[nH]n2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588598953 1080119555 /nfs/dbraw/zinc/11/95/55/1080119555.db2.gz SXJBHEPPYZKNIK-UHFFFAOYSA-N -1 0 366.425 2.503 20 30 FFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001588607377 1080121485 /nfs/dbraw/zinc/12/14/85/1080121485.db2.gz BQRMNXUUDQEIAJ-UHFFFAOYSA-N -1 0 364.467 2.944 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001588623443 1080124928 /nfs/dbraw/zinc/12/49/28/1080124928.db2.gz QCADZTOHOIYIQY-CQSZACIVSA-N -1 0 366.458 2.846 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)OC ZINC001588622690 1080125031 /nfs/dbraw/zinc/12/50/31/1080125031.db2.gz CHVMKDYPNVBTKZ-KRWDZBQOSA-N -1 0 369.417 2.709 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC001588629724 1080128459 /nfs/dbraw/zinc/12/84/59/1080128459.db2.gz RQRWNHCONPVKIX-UHFFFAOYSA-N -1 0 356.172 2.595 20 30 FFEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001588631557 1080128592 /nfs/dbraw/zinc/12/85/92/1080128592.db2.gz MMKGGSMOWDQJTQ-INIZCTEOSA-N -1 0 362.401 2.814 20 30 FFEDRM C=CC(C)(C)CC(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)[O-] ZINC001588672934 1080149587 /nfs/dbraw/zinc/14/95/87/1080149587.db2.gz FFBVFHOHSVZVSL-CYBMUJFWSA-N -1 0 370.243 3.000 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2OC)nnc1N(CC)C(C)C ZINC001588697510 1080159212 /nfs/dbraw/zinc/15/92/12/1080159212.db2.gz XRFREJXDSMPEKQ-UHFFFAOYSA-N -1 0 368.445 2.555 20 30 FFEDRM C=CCC1(CNC(=O)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCC1 ZINC001588767350 1080185117 /nfs/dbraw/zinc/18/51/17/1080185117.db2.gz WYINOCQQRQWROQ-UHFFFAOYSA-N -1 0 362.401 2.644 20 30 FFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cc(O)cc(F)c1 ZINC001588781133 1080193538 /nfs/dbraw/zinc/19/35/38/1080193538.db2.gz GTVRDIGQGPZPHW-UHFFFAOYSA-N -1 0 359.365 2.833 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588789874 1080196712 /nfs/dbraw/zinc/19/67/12/1080196712.db2.gz LTSSMNHVCYXIEC-CVEARBPZSA-N -1 0 366.845 2.833 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1)C(=O)[O-] ZINC001588790146 1080197685 /nfs/dbraw/zinc/19/76/85/1080197685.db2.gz RNHWQRSOXYBZIS-SJLPKXTDSA-N -1 0 372.465 2.918 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)[O-] ZINC001588790618 1080197883 /nfs/dbraw/zinc/19/78/83/1080197883.db2.gz ZXZJFPNIDOOUPG-DOTOQJQBSA-N -1 0 358.438 2.582 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588793908 1080199830 /nfs/dbraw/zinc/19/98/30/1080199830.db2.gz FNIOJZJBSXHCLJ-QLFBSQMISA-N -1 0 368.474 2.996 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC001588798364 1080201470 /nfs/dbraw/zinc/20/14/70/1080201470.db2.gz BYBIWMCBUSOWQO-LBPRGKRZSA-N -1 0 369.336 2.932 20 30 FFEDRM C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588813236 1080204970 /nfs/dbraw/zinc/20/49/70/1080204970.db2.gz KKVLRFUPTOUTIL-OAHLLOKOSA-N -1 0 374.441 2.740 20 30 FFEDRM C=CCCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)nn1 ZINC001588817780 1080206539 /nfs/dbraw/zinc/20/65/39/1080206539.db2.gz VLJUXPHTDASVEH-ZDUSSCGKSA-N -1 0 369.299 2.856 20 30 FFEDRM C=CCCn1cc(CN2CCC(Nc3cccc(C(=O)[O-])c3)CC2)nn1 ZINC001588819953 1080207045 /nfs/dbraw/zinc/20/70/45/1080207045.db2.gz KGUQFMPOEYMFRW-UHFFFAOYSA-N -1 0 355.442 2.629 20 30 FFEDRM C=CCN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1Br)C(C)C ZINC001588820223 1080207108 /nfs/dbraw/zinc/20/71/08/1080207108.db2.gz WPSRXAUEFBDYKK-UHFFFAOYSA-N -1 0 369.215 2.509 20 30 FFEDRM C=CCN(C(=O)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C(C)C ZINC001588820067 1080207753 /nfs/dbraw/zinc/20/77/53/1080207753.db2.gz PEFVBQQLHSZRAX-UHFFFAOYSA-N -1 0 373.453 2.737 20 30 FFEDRM C=CCN(CC(=O)Nc1ccccc1C(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC001588823897 1080208607 /nfs/dbraw/zinc/20/86/07/1080208607.db2.gz BJXQQZODFWAOKB-UHFFFAOYSA-N -1 0 369.377 2.920 20 30 FFEDRM C=CCO[C@@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001588849694 1080217520 /nfs/dbraw/zinc/21/75/20/1080217520.db2.gz GAHZLGFTQODRRH-LLVKDONJSA-N -1 0 373.236 2.907 20 30 FFEDRM C=CCOC[C@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588853709 1080219050 /nfs/dbraw/zinc/21/90/50/1080219050.db2.gz FQZSVILUOIOBKU-LBPRGKRZSA-N -1 0 362.209 2.534 20 30 FFEDRM C=CCOC[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588854018 1080219357 /nfs/dbraw/zinc/21/93/57/1080219357.db2.gz NZOPLNDFAFMPCY-AWEZNQCLSA-N -1 0 359.344 2.800 20 30 FFEDRM C=CCOC[C@@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588856392 1080219685 /nfs/dbraw/zinc/21/96/85/1080219685.db2.gz YRSOUVOJIODSHZ-QZTJIDSGSA-N -1 0 355.390 2.579 20 30 FFEDRM C=CCOc1ccc(CNC(=O)C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001588873706 1080225498 /nfs/dbraw/zinc/22/54/98/1080225498.db2.gz IRKXHFNGVGHLEJ-UHFFFAOYSA-N -1 0 374.418 2.574 20 30 FFEDRM C=CCSCCNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588879723 1080229913 /nfs/dbraw/zinc/22/99/13/1080229913.db2.gz KXUAPWCLDAKCEN-UHFFFAOYSA-N -1 0 369.512 2.725 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCn1nc(C)cc1C ZINC001588882579 1080231472 /nfs/dbraw/zinc/23/14/72/1080231472.db2.gz ZSZJBBVDOFGQRE-UHFFFAOYSA-N -1 0 358.394 2.931 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cnn2ccccc12 ZINC001588885112 1080232491 /nfs/dbraw/zinc/23/24/91/1080232491.db2.gz LWKZQSUBUIXLEA-UHFFFAOYSA-N -1 0 366.373 2.918 20 30 FFEDRM C=CCc1cc([C@@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)[O-])cc(OC)c1O ZINC001588885426 1080234039 /nfs/dbraw/zinc/23/40/39/1080234039.db2.gz KJERPAYUKWLXPV-INIZCTEOSA-N -1 0 358.394 2.717 20 30 FFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588888824 1080236541 /nfs/dbraw/zinc/23/65/41/1080236541.db2.gz FNISSRKMXCQYPV-GOSISDBHSA-N -1 0 371.397 2.730 20 30 FFEDRM C=CCn1c(-c2ccnc3ccccc32)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588890008 1080237553 /nfs/dbraw/zinc/23/75/53/1080237553.db2.gz KVJDAHWTFRIUNA-HXUWFJFHSA-N -1 0 363.421 2.980 20 30 FFEDRM C=CCn1c([C@@H](CO)CC(C)(C)C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588895346 1080243813 /nfs/dbraw/zinc/24/38/13/1080243813.db2.gz CYUFKSLZSLSCHZ-KUHUBIRLSA-N -1 0 364.490 2.667 20 30 FFEDRM C=CCn1c([C@H](C)[C@H](O)CC)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588895846 1080245158 /nfs/dbraw/zinc/24/51/58/1080245158.db2.gz NOVYJCGFQWVBFA-RBSFLKMASA-N -1 0 364.490 2.666 20 30 FFEDRM C=CCn1c([C@H](C)c2ccccn2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588895549 1080245200 /nfs/dbraw/zinc/24/52/00/1080245200.db2.gz IGUNAGQSZLGDNW-RBSFLKMASA-N -1 0 355.442 2.558 20 30 FFEDRM C=CCn1c([C@@H](C)[C@@H](O)CC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588896029 1080245607 /nfs/dbraw/zinc/24/56/07/1080245607.db2.gz PNTLKFSYBNQAQC-GUYCJALGSA-N -1 0 370.453 2.599 20 30 FFEDRM C=CCn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896550 1080245957 /nfs/dbraw/zinc/24/59/57/1080245957.db2.gz KQBHCUBYUICATL-IMJJTQAJSA-N -1 0 372.425 2.593 20 30 FFEDRM C=CCn1c([C@@H](C)c2ccsc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588896844 1080246314 /nfs/dbraw/zinc/24/63/14/1080246314.db2.gz UUKOFXLGNMRMET-MEDUHNTESA-N -1 0 350.419 2.680 20 30 FFEDRM C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001588897669 1080247222 /nfs/dbraw/zinc/24/72/22/1080247222.db2.gz SVZUXTFHMCOHEB-BKEDOTJMSA-N -1 0 362.474 2.684 20 30 FFEDRM C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588901140 1080249971 /nfs/dbraw/zinc/24/99/71/1080249971.db2.gz QJSJOHKHEPLEIN-HNNXBMFYSA-N -1 0 356.426 2.653 20 30 FFEDRM C=CCn1c(N)nnc1SCc1cc(Br)ccc1C(=O)[O-] ZINC001588904172 1080253776 /nfs/dbraw/zinc/25/37/76/1080253776.db2.gz JUFLBEGWOCWGEP-UHFFFAOYSA-N -1 0 369.244 2.799 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588917190 1080262614 /nfs/dbraw/zinc/26/26/14/1080262614.db2.gz OSRDVKDCDZALQI-RDBSUJKOSA-N -1 0 368.227 2.624 20 30 FFEDRM CC#CCCCC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001588925604 1080269324 /nfs/dbraw/zinc/26/93/24/1080269324.db2.gz TVCQKPLTRQCPDO-GOSISDBHSA-N -1 0 362.857 2.804 20 30 FFEDRM CC(N=Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(OCC(=O)N(C)C)cc1 ZINC001589016299 1080306099 /nfs/dbraw/zinc/30/60/99/1080306099.db2.gz CEJWFXQESFYMIC-UHFFFAOYSA-N -1 0 373.384 2.827 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)cc1 ZINC001589035981 1080317342 /nfs/dbraw/zinc/31/73/42/1080317342.db2.gz GEHMNAONSQWHKL-UHFFFAOYSA-N -1 0 358.405 2.871 20 30 FFEDRM CC(=O)c1ccc(NC(=O)[C@@H](C)ON=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001589300672 1080469925 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Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260496845 1040626547 /nfs/dbraw/zinc/62/65/47/1040626547.db2.gz YRBHVLSZVSIKGU-UHFFFAOYSA-N -1 0 357.313 2.961 20 30 FFEDRM COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001260695977 1040728381 /nfs/dbraw/zinc/72/83/81/1040728381.db2.gz UQIDULYYSAFSNA-UHFFFAOYSA-N -1 0 364.810 2.940 20 30 FFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)ccc1C#N ZINC001260771943 1040784772 /nfs/dbraw/zinc/78/47/72/1040784772.db2.gz LFCFTLOKADIUBK-UHFFFAOYSA-N -1 0 374.418 2.771 20 30 FFEDRM COc1ncnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC001260818859 1040826860 /nfs/dbraw/zinc/82/68/60/1040826860.db2.gz BEUMIMVTGFJRMO-UHFFFAOYSA-N -1 0 373.221 2.606 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)ccc1Br ZINC001261044066 1040956540 /nfs/dbraw/zinc/95/65/40/1040956540.db2.gz ITOFQNRRVXNGIR-UHFFFAOYSA-N -1 0 367.228 2.528 20 30 FFEDRM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2c(O)cccc2F)cc1 ZINC001249990568 1041087303 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FFEDRM Cn1c(C=NNCc2cc(F)ccc2F)c(Br)cc1C(=O)[O-] ZINC001319623338 1045218675 /nfs/dbraw/zinc/21/86/75/1045218675.db2.gz QNHVWWWOGAZHRP-UHFFFAOYSA-N -1 0 372.169 2.888 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccn1Cc1ccccc1 ZINC001323314371 1045543126 /nfs/dbraw/zinc/54/31/26/1045543126.db2.gz CEMZOVLUQQILSB-UHFFFAOYSA-N -1 0 365.414 2.527 20 30 FFEDRM C=CC[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC001321166736 1045569991 /nfs/dbraw/zinc/56/99/91/1045569991.db2.gz KBJDVOQDWDDAMJ-SFHVURJKSA-N -1 0 355.390 2.790 20 30 FFEDRM C=CC[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)[O-] ZINC001321207479 1045587483 /nfs/dbraw/zinc/58/74/83/1045587483.db2.gz ZBQJEHWSLPBOSX-KRWDZBQOSA-N -1 0 352.390 2.722 20 30 FFEDRM COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCC(=O)[O-])c(OC)c1)CO2 ZINC001321527123 1045695152 /nfs/dbraw/zinc/69/51/52/1045695152.db2.gz KUGYPKWFALLUSR-QPEQYQDCSA-N -1 0 370.357 2.826 20 30 FFEDRM C=CC[C@H](NC(=O)NCc1ccc(OC)c(OC2CCCC2)c1)C(=O)[O-] ZINC001321584037 1045718020 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366.417 2.693 20 30 FFEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001325940432 1046693064 /nfs/dbraw/zinc/69/30/64/1046693064.db2.gz KENKLZOTHMLYTL-UHFFFAOYSA-N -1 0 362.304 2.985 20 30 FFEDRM C=CC[C@@]1(C(=O)[N-]S(=O)(=O)C(C)(C)C)CCCN1C(=O)OC(C)(C)C ZINC001326329997 1046878742 /nfs/dbraw/zinc/87/87/42/1046878742.db2.gz UKXKQYLBOYJKKO-KRWDZBQOSA-N -1 0 374.503 2.577 20 30 FFEDRM CCNc1ccccc1S(=O)(=O)[N-]C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001331493598 1047968507 /nfs/dbraw/zinc/96/85/07/1047968507.db2.gz GZTCCVSIZJUARC-UHFFFAOYSA-N -1 0 369.446 2.527 20 30 FFEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)CNC(=O)OC(C)(C)C ZINC001327709041 1048005281 /nfs/dbraw/zinc/00/52/81/1048005281.db2.gz PKVMYEVMWXTGDH-LLVKDONJSA-N -1 0 351.403 2.952 20 30 FFEDRM Cc1cccc(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1C#N ZINC001332256975 1048322391 /nfs/dbraw/zinc/32/23/91/1048322391.db2.gz VWSMFHAOYAXNQD-HNNXBMFYSA-N -1 0 350.440 2.569 20 30 FFEDRM C=CCCC[C@@H](C(=O)[N-]S(=O)(=O)C1CCOCC1)c1ccccc1 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FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cnc2c(F)ccc(F)c2c1 ZINC001347691285 1054231127 /nfs/dbraw/zinc/23/11/27/1054231127.db2.gz QICWLCHRLYIYDC-UHFFFAOYSA-N -1 0 373.340 2.503 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(C(F)F)c2F)CCCC1 ZINC001348283286 1054603990 /nfs/dbraw/zinc/60/39/90/1054603990.db2.gz VIEGSJFTMPQGGK-UHFFFAOYSA-N -1 0 360.357 2.907 20 30 FFEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cncc(OCC(F)F)c1 ZINC001348140032 1054688228 /nfs/dbraw/zinc/68/82/28/1054688228.db2.gz SVDVSJNOGJXRIG-MRXNPFEDSA-N -1 0 373.359 2.707 20 30 FFEDRM CN(C[C@H]1CC1(C)C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CC1CC1 ZINC001348144901 1054696129 /nfs/dbraw/zinc/69/61/29/1054696129.db2.gz HXUSASLQQRXDCX-OAHLLOKOSA-N -1 0 352.442 2.810 20 30 FFEDRM CCS[C@@H]1CCCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)C1 ZINC001338206280 1055322585 /nfs/dbraw/zinc/32/25/85/1055322585.db2.gz QVUKEBBKAXABTK-CQSZACIVSA-N -1 0 358.471 2.566 20 30 FFEDRM C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001300044999 1055569776 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ZINC001588455980 1080033575 /nfs/dbraw/zinc/03/35/75/1080033575.db2.gz XXDODMHTXBUXDN-UHFFFAOYSA-N -1 0 354.318 2.947 20 30 FFEDRM C=CC[C@]1(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588458065 1080034415 /nfs/dbraw/zinc/03/44/15/1080034415.db2.gz QBDBXIHKQBIGLR-RTBURBONSA-N -1 0 366.458 2.655 20 30 FFEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001588463793 1080036943 /nfs/dbraw/zinc/03/69/43/1080036943.db2.gz LHKIXFUGLOJZPX-UHFFFAOYSA-N -1 0 353.415 2.789 20 30 FFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001588471537 1080040598 /nfs/dbraw/zinc/04/05/98/1080040598.db2.gz SHQPUZGRWIXVNX-UHFFFAOYSA-N -1 0 363.822 2.862 20 30 FFEDRM C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001588469901 1080040714 /nfs/dbraw/zinc/04/07/14/1080040714.db2.gz SUBLHCJRFIPPJD-UHFFFAOYSA-N -1 0 370.792 2.639 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001588478820 1080044005 /nfs/dbraw/zinc/04/40/05/1080044005.db2.gz 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C=C(C)C[C@@H](NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C)C(=O)[O-] ZINC001588555331 1080093156 /nfs/dbraw/zinc/09/31/56/1080093156.db2.gz FRQNRTRSGHPDGV-CQSZACIVSA-N -1 0 364.423 2.656 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC001588555618 1080093583 /nfs/dbraw/zinc/09/35/83/1080093583.db2.gz NNOYJDRWAUNEFQ-MRVPVSSYSA-N -1 0 368.274 2.517 20 30 FFEDRM C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588578464 1080106606 /nfs/dbraw/zinc/10/66/06/1080106606.db2.gz IILXQRFQGIRVBQ-RHSMWYFYSA-N -1 0 365.437 2.940 20 30 FFEDRM C=CCCC1(CNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001588579551 1080107231 /nfs/dbraw/zinc/10/72/31/1080107231.db2.gz OFGJARGHEYYZPV-MRXNPFEDSA-N -1 0 355.442 2.543 20 30 FFEDRM C=CCCCC(=O)NCC[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588590362 1080113522 /nfs/dbraw/zinc/11/35/22/1080113522.db2.gz JMBWBOXINFPKPF-VIFPVBQESA-N -1 0 369.882 2.640 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)C(C)C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588590056 1080113851 /nfs/dbraw/zinc/11/38/51/1080113851.db2.gz XNZLSGWZFUQIML-HNNXBMFYSA-N -1 0 362.430 2.780 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)/C=C\CC)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588591215 1080114416 /nfs/dbraw/zinc/11/44/16/1080114416.db2.gz GOSWJZMOGURMFS-QGGOQJQXSA-N -1 0 360.458 2.545 20 30 FFEDRM C=C(C)Cn1c(C[C@@H](C)SC)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588597750 1080118617 /nfs/dbraw/zinc/11/86/17/1080118617.db2.gz KPNGSIAIOHRFOP-CXAGYDPISA-N -1 0 352.504 2.839 20 30 FFEDRM C=C(C)Cn1c(N2CCc3ccc(C(=O)[O-])cc3C2)nnc1[C@](C)(O)CC ZINC001588598687 1080119256 /nfs/dbraw/zinc/11/92/56/1080119256.db2.gz KXIGELJRMPPLIH-HXUWFJFHSA-N -1 0 370.453 2.733 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC001588612387 1080121560 /nfs/dbraw/zinc/12/15/60/1080121560.db2.gz POEDMVAWDYRRMP-UHFFFAOYSA-N -1 0 361.438 2.884 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001588612662 1080121777 /nfs/dbraw/zinc/12/17/77/1080121777.db2.gz VIQIHCMNXKVLAP-AWEZNQCLSA-N -1 0 354.447 2.655 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001588615236 1080122508 /nfs/dbraw/zinc/12/25/08/1080122508.db2.gz NWXPYPDBSSZKFF-CQSZACIVSA-N -1 0 354.447 2.703 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC001588618896 1080124248 /nfs/dbraw/zinc/12/42/48/1080124248.db2.gz DSSSMHOTOXEBOD-UHFFFAOYSA-N -1 0 356.191 2.894 20 30 FFEDRM C=CCN(CC1CCCCC1)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCC2 ZINC001588628415 1080127663 /nfs/dbraw/zinc/12/76/63/1080127663.db2.gz XUZFZZXZSZIGRR-UHFFFAOYSA-N -1 0 368.485 2.543 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC001588629912 1080128540 /nfs/dbraw/zinc/12/85/40/1080128540.db2.gz XQSXINQGTGGFQN-UHFFFAOYSA-N -1 0 360.797 2.910 20 30 FFEDRM C=C[C@H](CC(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001588690834 1080157590 /nfs/dbraw/zinc/15/75/90/1080157590.db2.gz MJMZXGFKDJGJTN-CYBMUJFWSA-N -1 0 354.362 2.621 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001588697157 1080159243 /nfs/dbraw/zinc/15/92/43/1080159243.db2.gz SIBRFWFIRWRJDU-LBPRGKRZSA-N -1 0 367.461 2.512 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588706351 1080163508 /nfs/dbraw/zinc/16/35/08/1080163508.db2.gz JQDRDXFHQGWNDP-ZDUSSCGKSA-N -1 0 369.462 2.581 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588744709 1080178715 /nfs/dbraw/zinc/17/87/15/1080178715.db2.gz PUKJCQMQPLQORP-BKVYSMKUSA-N -1 0 372.465 2.885 20 30 FFEDRM C=CCC1(NC(=O)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCCC1 ZINC001588767265 1080185060 /nfs/dbraw/zinc/18/50/60/1080185060.db2.gz QZLQIUUFOKSZOO-UHFFFAOYSA-N -1 0 355.394 2.810 20 30 FFEDRM C=CCC1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC001588768721 1080187023 /nfs/dbraw/zinc/18/70/23/1080187023.db2.gz CFARWEJUFNNLRA-UHFFFAOYSA-N -1 0 353.440 2.707 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCCN1c1ncnc2ccccc21)C(=O)[O-] ZINC001588790075 1080197673 /nfs/dbraw/zinc/19/76/73/1080197673.db2.gz PSGVITNUQUHGIZ-IAGOWNOFSA-N -1 0 368.437 2.524 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588790603 1080197841 /nfs/dbraw/zinc/19/78/41/1080197841.db2.gz ZTNQWMGQOIZSMP-OAHLLOKOSA-N -1 0 366.458 2.869 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(Br)cc1C#N)C(=O)[O-] ZINC001588792880 1080198996 /nfs/dbraw/zinc/19/89/96/1080198996.db2.gz OSMGHDZCIYKSRS-CYBMUJFWSA-N -1 0 351.200 2.860 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1c(Br)nc2n1CCCC2)C(=O)[O-] ZINC001588794532 1080199687 /nfs/dbraw/zinc/19/96/87/1080199687.db2.gz XXFRSMITYUWJDD-SNVBAGLBSA-N -1 0 370.247 2.521 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001588794374 1080199691 /nfs/dbraw/zinc/19/96/91/1080199691.db2.gz SABBJPXGAINYLW-IHRRRGAJSA-N -1 0 354.447 2.558 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1c(C)n(C)c2ccccc21)C(=O)[O-] ZINC001588798982 1080201701 /nfs/dbraw/zinc/20/17/01/1080201701.db2.gz XCTKQJSEEBFEKE-AWEZNQCLSA-N -1 0 350.440 2.575 20 30 FFEDRM C=CCN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001588820856 1080207346 /nfs/dbraw/zinc/20/73/46/1080207346.db2.gz WORWSBLQBXTUDS-UHFFFAOYSA-N -1 0 351.346 2.989 20 30 FFEDRM C=CCOC[C@@H](NC(=O)C/C=C/c1ccc(Br)cc1)C(=O)[O-] ZINC001588854375 1080218962 /nfs/dbraw/zinc/21/89/62/1080218962.db2.gz YFPQNWPBEBNSAR-RDFMZFSFSA-N -1 0 368.227 2.624 20 30 FFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)cc1 ZINC001588874159 1080224980 /nfs/dbraw/zinc/22/49/80/1080224980.db2.gz YTNRBNFCKZWHJZ-IEZWGBDMSA-N -1 0 361.438 2.569 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588877222 1080226464 /nfs/dbraw/zinc/22/64/64/1080226464.db2.gz CYIIUSVDDAMCFK-UHFFFAOYSA-N -1 0 374.418 2.574 20 30 FFEDRM C=CCOc1ccccc1CNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588877537 1080228866 /nfs/dbraw/zinc/22/88/66/1080228866.db2.gz ZFMPZJDGDPFSJR-UHFFFAOYSA-N -1 0 367.448 2.798 20 30 FFEDRM C=CCn1c(-c2ccc(Cl)s2)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001588889148 1080236528 /nfs/dbraw/zinc/23/65/28/1080236528.db2.gz NGQAJNPBDMXDJJ-OAHLLOKOSA-N -1 0 368.846 2.526 20 30 FFEDRM C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588889385 1080238233 /nfs/dbraw/zinc/23/82/33/1080238233.db2.gz SJERFYREZWFCJH-HXUWFJFHSA-N -1 0 363.421 2.980 20 30 FFEDRM C=CCn1c(-c2oc(CO)cc2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588891759 1080239482 /nfs/dbraw/zinc/23/94/82/1080239482.db2.gz SNMYONTUHXNUMG-AWEZNQCLSA-N -1 0 374.441 2.606 20 30 FFEDRM C=CCn1c([C@H]2CCCC[C@H]2O)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588896071 1080245078 /nfs/dbraw/zinc/24/50/78/1080245078.db2.gz FHUURBYMQRMQDO-JKSUJKDBSA-N -1 0 362.474 2.564 20 30 FFEDRM C=CCn1c([C@H](C)[C@@H](O)CC)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895840 1080245527 /nfs/dbraw/zinc/24/55/27/1080245527.db2.gz NOVYJCGFQWVBFA-ILXRZTDVSA-N -1 0 364.490 2.666 20 30 FFEDRM C=CCn1c(CC(F)(F)F)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588897508 1080247696 /nfs/dbraw/zinc/24/76/96/1080247696.db2.gz KUMFRODCUNBAOR-NSHDSACASA-N -1 0 360.380 2.896 20 30 FFEDRM C=CCn1c(CSC(F)(F)F)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588901454 1080249555 /nfs/dbraw/zinc/24/95/55/1080249555.db2.gz WLAIHMVDFBOPRF-VHSXEESVSA-N -1 0 364.393 2.764 20 30 FFEDRM C=CCn1c(Cc2cccc(O)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588903979 1080253598 /nfs/dbraw/zinc/25/35/98/1080253598.db2.gz CANHXJFASXMHGD-HNNXBMFYSA-N -1 0 370.453 2.842 20 30 FFEDRM C=CCn1c(N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)nnc1C(C)(F)F ZINC001588905391 1080255457 /nfs/dbraw/zinc/25/54/57/1080255457.db2.gz WBQFAWGFRNRPFJ-BDAKNGLRSA-N -1 0 368.306 2.665 20 30 FFEDRM C=CCn1nnnc1SCc1cc(C(=O)[O-])ccc1Br ZINC001588912363 1080260289 /nfs/dbraw/zinc/26/02/89/1080260289.db2.gz HWRHQPAKUWOEDJ-UHFFFAOYSA-N -1 0 355.217 2.612 20 30 FFEDRM CC#CC[C@@H](CO)Nc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001588925860 1080269984 /nfs/dbraw/zinc/26/99/84/1080269984.db2.gz YDBCJKFLACBJPF-NSHDSACASA-N -1 0 363.211 2.882 20 30 FFEDRM CC(=NOCC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017669 1080307184 /nfs/dbraw/zinc/30/71/84/1080307184.db2.gz YUSWTIAEPQLRIE-OKILXGFUSA-N -1 0 362.426 2.680 20 30 FFEDRM CC(=NOCC(=O)Nc1ccc(C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021609 1080308795 /nfs/dbraw/zinc/30/87/95/1080308795.db2.gz QMIJUADFCJGHKS-UHFFFAOYSA-N -1 0 356.378 2.838 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cc(Cl)cs1 ZINC001589024754 1080312406 /nfs/dbraw/zinc/31/24/06/1080312406.db2.gz YRVWYSNKUBRJRM-GFCCVEGCSA-N -1 0 354.815 2.806 20 30 FFEDRM C[C@@H](CN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C(=O)[O-] ZINC001589028978 1080313142 /nfs/dbraw/zinc/31/31/42/1080313142.db2.gz RIHWRIMCJCSAGW-LBPRGKRZSA-N -1 0 354.366 2.930 20 30 FFEDRM C[C@@H](CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)C(=O)[O-] ZINC001589029257 1080313146 /nfs/dbraw/zinc/31/31/46/1080313146.db2.gz XWGCPGBGXPAUBT-LBPRGKRZSA-N -1 0 354.366 2.930 20 30 FFEDRM CC(=O)N(C)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001589046641 1080322393 /nfs/dbraw/zinc/32/23/93/1080322393.db2.gz SVATXLOVTSTZDZ-UHFFFAOYSA-N -1 0 352.346 2.596 20 30 FFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001589218178 1080425993 /nfs/dbraw/zinc/42/59/93/1080425993.db2.gz QCGPMVNCJPIXDI-QGZVFWFLSA-N -1 0 358.785 2.837 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(Cl)ccc2O)o1 ZINC001589238353 1080440594 /nfs/dbraw/zinc/44/05/94/1080440594.db2.gz UOTAPXHBWIAEMY-UHFFFAOYSA-N -1 0 361.793 2.957 20 30 FFEDRM C[C@](C#N)(NC(=O)CNc1ccc(Cl)c(C(=O)[O-])c1Cl)C1CC1 ZINC001589323912 1080483056 /nfs/dbraw/zinc/48/30/56/1080483056.db2.gz QRZWDJHZLFKLDU-OAHLLOKOSA-N -1 0 356.209 2.912 20 30 FFEDRM C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001589330891 1080485988 /nfs/dbraw/zinc/48/59/88/1080485988.db2.gz UEOWYVJHKJYVGS-LBPRGKRZSA-N -1 0 358.419 2.851 20 30 FFEDRM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001589436577 1080531981 /nfs/dbraw/zinc/53/19/81/1080531981.db2.gz YQEDSBAFVVPYGY-LLVKDONJSA-N -1 0 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Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)ccc1C#N ZINC000446820549 513344129 /nfs/dbraw/zinc/34/41/29/513344129.db2.gz DXXVPAYAAJYBLC-UHFFFAOYSA-N -1 0 356.432 2.608 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)nn1CCC#N ZINC000451022584 513462738 /nfs/dbraw/zinc/46/27/38/513462738.db2.gz CBDGREPDFNNHLU-UHFFFAOYSA-N -1 0 374.344 2.630 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)[n-]1 ZINC000441072567 513475292 /nfs/dbraw/zinc/47/52/92/513475292.db2.gz TVLVOMMEQWVNCX-UHFFFAOYSA-N -1 0 363.208 2.964 20 30 FFEDRM N#CCC1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429925677 513500496 /nfs/dbraw/zinc/50/04/96/513500496.db2.gz OZOFKPNZYSYOSJ-UHFFFAOYSA-N -1 0 364.210 2.874 20 30 FFEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)Cc3cccc(F)c3)o2)c1 ZINC000430315399 513620485 /nfs/dbraw/zinc/62/04/85/513620485.db2.gz NLIDTJITIKJVDF-UHFFFAOYSA-N -1 0 358.354 2.689 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)ccc1C#N ZINC000435754379 513677347 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N#Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1[O-] ZINC000443113689 513875545 /nfs/dbraw/zinc/87/55/45/513875545.db2.gz UWMZJHRZYIKKOU-UHFFFAOYSA-N -1 0 363.764 2.649 20 30 FFEDRM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C#N)c([O-])c2)[nH][nH]1 ZINC000443357213 513949414 /nfs/dbraw/zinc/94/94/14/513949414.db2.gz KQQWKTMCZZZJTJ-UHFFFAOYSA-N -1 0 368.780 2.990 20 30 FFEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1 ZINC000436761070 513969936 /nfs/dbraw/zinc/96/99/36/513969936.db2.gz HOMSLAJJCKAWHA-UHFFFAOYSA-N -1 0 374.418 2.816 20 30 FFEDRM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000451818617 514001163 /nfs/dbraw/zinc/00/11/63/514001163.db2.gz QDJHFNLFJUSFOK-ABAIWWIYSA-N -1 0 358.410 2.566 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432201307 514125106 /nfs/dbraw/zinc/12/51/06/514125106.db2.gz FFOJQPFJBFEMEC-UHFFFAOYSA-N -1 0 369.402 2.599 20 30 FFEDRM C=CCOc1ccccc1CN=c1ccc(C(=O)NC2CCCC2)n[n-]1 ZINC000432218600 514129770 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Cc1cc(S(=O)(=O)[N-]c2noc(Cc3ccccc3)n2)ccc1C#N ZINC000432948979 514333198 /nfs/dbraw/zinc/33/31/98/514333198.db2.gz KEHYJXHYBAYWTK-UHFFFAOYSA-N -1 0 354.391 2.641 20 30 FFEDRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000433119480 514388935 /nfs/dbraw/zinc/38/89/35/514388935.db2.gz GJWISCIXHXISGL-UHFFFAOYSA-N -1 0 357.395 2.791 20 30 FFEDRM C=CCNC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000445234546 514448088 /nfs/dbraw/zinc/44/80/88/514448088.db2.gz PIABVIHGPZFCGG-UHFFFAOYSA-N -1 0 366.333 2.933 20 30 FFEDRM C=CC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000452779646 514492954 /nfs/dbraw/zinc/49/29/54/514492954.db2.gz UTUIOUVHNBVSDB-UHFFFAOYSA-N -1 0 363.439 2.726 20 30 FFEDRM Cn1cc(C#N)cc1C(=O)N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000433503798 514505929 /nfs/dbraw/zinc/50/59/29/514505929.db2.gz XEBXCOXRLXNXCR-UHFFFAOYSA-N -1 0 367.478 2.890 20 30 FFEDRM COCCc1ccnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000508114123 514672584 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975854200 /nfs/dbraw/zinc/85/42/00/975854200.db2.gz QCMIGTYCXIYZDC-QGZVFWFLSA-N -1 0 354.362 2.716 20 30 FFEDRM CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c(C(=O)[O-])c1 ZINC001591962115 976545005 /nfs/dbraw/zinc/54/50/05/976545005.db2.gz BPWYHGLUQMZSFV-JSGCOSHPSA-N -1 0 357.410 2.645 20 30 FFEDRM Cc1c(C#N)cccc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000178768409 977913599 /nfs/dbraw/zinc/91/35/99/977913599.db2.gz AGGUWMWFVWJVFA-UHFFFAOYSA-N -1 0 364.430 2.894 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000729068197 978169837 /nfs/dbraw/zinc/16/98/37/978169837.db2.gz YBRAORBRTDWABC-HOCLYGCPSA-N -1 0 365.433 2.872 20 30 FFEDRM C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000729203333 978207894 /nfs/dbraw/zinc/20/78/94/978207894.db2.gz CFMKLIHAJLARFR-UHFFFAOYSA-N -1 0 368.414 2.918 20 30 FFEDRM CCC(CC)(NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC001595093596 979392323 /nfs/dbraw/zinc/39/23/23/979392323.db2.gz SXNUBOKXQOOSDR-UHFFFAOYSA-N -1 0 361.417 2.673 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)C(=O)[O-] ZINC000262864548 980016598 /nfs/dbraw/zinc/01/65/98/980016598.db2.gz AYJMNRMHJOCOND-QGZVFWFLSA-N -1 0 371.437 2.690 20 30 FFEDRM N#Cc1ccc(F)c(CNC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000905129914 980390823 /nfs/dbraw/zinc/39/08/23/980390823.db2.gz ZRBROMSKGRNEIS-UHFFFAOYSA-N -1 0 352.365 2.573 20 30 FFEDRM CC[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC001595492159 981253160 /nfs/dbraw/zinc/25/31/60/981253160.db2.gz IZJRCLYQQWOWFA-QWHCGFSZSA-N -1 0 374.441 2.781 20 30 FFEDRM C=CCc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc(OC)c1OC ZINC000907933552 981334837 /nfs/dbraw/zinc/33/48/37/981334837.db2.gz XYAZHKLSKFOSCM-DRPJVOAASA-N -1 0 359.422 2.661 20 30 FFEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000908637408 981483187 /nfs/dbraw/zinc/48/31/87/981483187.db2.gz XLTHVZYPVVMSFM-GFCCVEGCSA-N -1 0 372.343 2.598 20 30 FFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc2n(n1)CCCC2 ZINC000654574034 1014777227 /nfs/dbraw/zinc/77/72/27/1014777227.db2.gz CMXDPBPGNPNLQC-UHFFFAOYSA-N -1 0 364.409 2.617 20 30 FFEDRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C1 ZINC001594865125 982164177 /nfs/dbraw/zinc/16/41/77/982164177.db2.gz ATFGZWHCUTWXRH-MAUKXSAKSA-N -1 0 371.433 2.564 20 30 FFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000911317245 982213964 /nfs/dbraw/zinc/21/39/64/982213964.db2.gz IQWXSGIAXVAIEF-HNNXBMFYSA-N -1 0 363.417 2.802 20 30 FFEDRM CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594882044 982245797 /nfs/dbraw/zinc/24/57/97/982245797.db2.gz WCCHQYOJSWMZGI-RYUDHWBXSA-N -1 0 350.440 2.844 20 30 FFEDRM CCCNC(=O)c1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001595931098 983059754 /nfs/dbraw/zinc/05/97/54/983059754.db2.gz YQMXADZTUUTYDO-UHFFFAOYSA-N -1 0 366.373 2.753 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1C#N ZINC001596667194 984733369 /nfs/dbraw/zinc/73/33/69/984733369.db2.gz UHTVIUUCFRNJDQ-ZDUSSCGKSA-N -1 0 374.397 2.749 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1C#N ZINC001596667191 984733711 /nfs/dbraw/zinc/73/37/11/984733711.db2.gz UHTVIUUCFRNJDQ-CYBMUJFWSA-N -1 0 374.397 2.749 20 30 FFEDRM N#CCc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000761101236 984785240 /nfs/dbraw/zinc/78/52/40/984785240.db2.gz MURSQBYDERMELD-UHFFFAOYSA-N -1 0 364.426 2.953 20 30 FFEDRM C[C@H]1CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@]1(C)C(=O)[O-] ZINC001599927858 985240732 /nfs/dbraw/zinc/24/07/32/985240732.db2.gz LZKSNTKIMWXWSW-IUUKEHGRSA-N -1 0 357.435 2.515 20 30 FFEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(CC#N)cc2)c(C)c1C(=O)[O-] ZINC001599949461 985582807 /nfs/dbraw/zinc/58/28/07/985582807.db2.gz ZVWUJPWGKOBQRU-GFCCVEGCSA-N -1 0 354.362 2.824 20 30 FFEDRM COCCCOc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000173961823 986023622 /nfs/dbraw/zinc/02/36/22/986023622.db2.gz FDDBFCOPXIRKBO-SFHVURJKSA-N -1 0 358.438 2.873 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173997941 986031500 /nfs/dbraw/zinc/03/15/00/986031500.db2.gz PELPAGCNMKUNKM-INIZCTEOSA-N -1 0 364.405 2.995 20 30 FFEDRM CC(=O)N[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])c1c(F)cccc1F ZINC000176395089 986899447 /nfs/dbraw/zinc/89/94/47/986899447.db2.gz AVEPMEPTBZDARQ-HNNXBMFYSA-N -1 0 359.332 2.748 20 30 FFEDRM C[C@@H]1c2sccc2CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594674612 986998382 /nfs/dbraw/zinc/99/83/82/986998382.db2.gz UBIVQXFGVRCEBB-SNVBAGLBSA-N -1 0 362.432 2.626 20 30 FFEDRM CCc1ccccc1NC(=O)CN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001597615254 988532400 /nfs/dbraw/zinc/53/24/00/988532400.db2.gz ZAMMAQQBTCMDIQ-UHFFFAOYSA-N -1 0 351.406 2.889 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000193610655 988714628 /nfs/dbraw/zinc/71/46/28/988714628.db2.gz MCRHYZZQINSSLQ-SFHVURJKSA-N -1 0 358.438 2.731 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000762996122 988947544 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FFEDRM COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc([N+](=O)[O-])c1[O-] ZINC000916310967 989775920 /nfs/dbraw/zinc/77/59/20/989775920.db2.gz SXQSMWYTWDQBHX-UHFFFAOYSA-N -1 0 374.378 2.579 20 30 FFEDRM COc1cc(/C=C/C(=O)c2cc(O)ccc2O)ccc1OCCC(=O)[O-] ZINC000763372835 989793300 /nfs/dbraw/zinc/79/33/00/989793300.db2.gz FXVFEGOKNSELIQ-GORDUTHDSA-N -1 0 358.346 2.856 20 30 FFEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000916815159 989991382 /nfs/dbraw/zinc/99/13/82/989991382.db2.gz OWBMSTJGAGMJDV-UHFFFAOYSA-N -1 0 372.446 2.664 20 30 FFEDRM Cc1ccn(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)cc2)n1 ZINC000916895966 990027188 /nfs/dbraw/zinc/02/71/88/990027188.db2.gz YNJMCCMOGSQZKT-GOSISDBHSA-N -1 0 350.422 2.952 20 30 FFEDRM CNc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000916929031 990033833 /nfs/dbraw/zinc/03/38/33/990033833.db2.gz AGRJMMZCCHPQCT-LBPRGKRZSA-N -1 0 368.349 2.606 20 30 FFEDRM CCOc1cc(C([O-])=C(C#N)C(=O)NC(C)C)cc(OCC)c1OCC ZINC000916946327 990056625 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Cc1nnc([S-])n(N=Cc2cccc(OCc3ccccc3F)c2)c1=O ZINC000920360990 990838285 /nfs/dbraw/zinc/83/82/85/990838285.db2.gz GLMHTRNXXQBHJK-UHFFFAOYSA-N -1 0 370.409 2.836 20 30 FFEDRM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000067893331 991268406 /nfs/dbraw/zinc/26/84/06/991268406.db2.gz DPYVVOOKYQKCLP-KRWDZBQOSA-N -1 0 372.446 2.566 20 30 FFEDRM COc1ccc2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)ccc2c1 ZINC000179977999 991387333 /nfs/dbraw/zinc/38/73/33/991387333.db2.gz BKSPNFFURPAZKB-KRWDZBQOSA-N -1 0 359.385 2.882 20 30 FFEDRM CCCN(C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000180000124 991399476 /nfs/dbraw/zinc/39/94/76/991399476.db2.gz BBZSYQSVVSKKBU-UHFFFAOYSA-N -1 0 371.462 2.664 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001591051410 991450114 /nfs/dbraw/zinc/45/01/14/991450114.db2.gz BJNKIDCYGVNPAE-KRWDZBQOSA-N -1 0 353.378 2.881 20 30 FFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000069547007 991778771 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C[C@H](NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001593061561 993569441 /nfs/dbraw/zinc/56/94/41/993569441.db2.gz AQXJIZISGMILTB-ZDUSSCGKSA-N -1 0 365.389 2.922 20 30 FFEDRM C[C@@H](NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)c1cccc(C#N)c1 ZINC001593069934 993614566 /nfs/dbraw/zinc/61/45/66/993614566.db2.gz MHVLAWHHGGYHSK-CYBMUJFWSA-N -1 0 365.389 2.922 20 30 FFEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001599589862 993665447 /nfs/dbraw/zinc/66/54/47/993665447.db2.gz FYDDBIJDUPTULW-QGZVFWFLSA-N -1 0 366.373 2.674 20 30 FFEDRM C[C@@](NC(=O)c1cccc(C#N)n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593175689 994048789 /nfs/dbraw/zinc/04/87/89/994048789.db2.gz XAAPBLGPFGHHAS-INIZCTEOSA-N -1 0 364.188 2.990 20 30 FFEDRM COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnc(C(C)(C)C)nc2)c1 ZINC000808980172 994348376 /nfs/dbraw/zinc/34/83/76/994348376.db2.gz VVEWQHCMBBWOBP-OAHLLOKOSA-N -1 0 352.394 2.744 20 30 FFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC001599648382 994458480 /nfs/dbraw/zinc/45/84/80/994458480.db2.gz TXSIIELHSGTDKM-FZKQIMNGSA-N -1 0 368.389 2.618 20 30 FFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000810776240 994927072 /nfs/dbraw/zinc/92/70/72/994927072.db2.gz LDBJOKNVVCTWBM-UHFFFAOYSA-N -1 0 366.442 2.773 20 30 FFEDRM C[C@@H](Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC001593363758 995037791 /nfs/dbraw/zinc/03/77/91/995037791.db2.gz UCJMEIUXQBARSN-VXGBXAGGSA-N -1 0 371.368 2.988 20 30 FFEDRM C[C@H](Oc1ccc(C=O)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001593615562 995835008 /nfs/dbraw/zinc/83/50/08/995835008.db2.gz KRNZZVOUCJBFJG-SJCJKPOMSA-N -1 0 353.330 2.507 20 30 FFEDRM C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001593698428 996163921 /nfs/dbraw/zinc/16/39/21/996163921.db2.gz JZXFVPCYECVSSU-YGONEPDPSA-N -1 0 350.440 2.524 20 30 FFEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cnn(-c2ccc(F)cc2)c1 ZINC000728174501 996171398 /nfs/dbraw/zinc/17/13/98/996171398.db2.gz UXADUNHZEZDVFZ-UHFFFAOYSA-N -1 0 365.393 2.892 20 30 FFEDRM C[C@]1(C#N)CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001593743403 996367924 /nfs/dbraw/zinc/36/79/24/996367924.db2.gz XDODLYDQTOQCAO-CYBMUJFWSA-N -1 0 363.222 2.616 20 30 FFEDRM CC1(C(=O)[O-])CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC001593805101 996534084 /nfs/dbraw/zinc/53/40/84/996534084.db2.gz VZFFQHAZWKOQQB-UHFFFAOYSA-N -1 0 350.374 2.684 20 30 FFEDRM N#CCOc1cccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000730150939 996897534 /nfs/dbraw/zinc/89/75/34/996897534.db2.gz GKNGXHQTRGOYSA-UVTDQMKNSA-N -1 0 373.368 2.941 20 30 FFEDRM COc1ccc(C(=O)[O-])c(OC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC001599491488 996946682 /nfs/dbraw/zinc/94/66/82/996946682.db2.gz YMBSIVPHSJWDQR-UHFFFAOYSA-N -1 0 371.393 2.659 20 30 FFEDRM COc1ccc(C(=O)[O-])c(OS(=O)(=O)c2cccc(C#N)c2Cl)c1 ZINC001599492871 996970829 /nfs/dbraw/zinc/97/08/29/996970829.db2.gz ZKMMPKBRBXDVHJ-UHFFFAOYSA-N -1 0 367.766 2.686 20 30 FFEDRM COc1cc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc(Cl)c1OC ZINC001599399969 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JLDQMFXNEVDQPE-GJZGRUSLSA-N -1 0 362.426 2.788 20 30 FFEDRM Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC001322746452 1046208718 /nfs/dbraw/zinc/20/87/18/1046208718.db2.gz MLOHHEFPQLXUTA-ZDUSSCGKSA-N -1 0 369.446 2.683 20 30 FFEDRM C=CC[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C(=O)[O-] ZINC001325143290 1046391621 /nfs/dbraw/zinc/39/16/21/1046391621.db2.gz KNBPKVOHFFCJPL-NSHDSACASA-N -1 0 364.199 2.598 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2C)c(C)c1C ZINC001325262857 1046442185 /nfs/dbraw/zinc/44/21/85/1046442185.db2.gz QPQBNFCWABJIDC-UHFFFAOYSA-N -1 0 358.419 2.611 20 30 FFEDRM C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC001331482544 1047962858 /nfs/dbraw/zinc/96/28/58/1047962858.db2.gz VSDWIFAAOSOVEX-UHFFFAOYSA-N -1 0 373.858 2.909 20 30 FFEDRM CCN(Cc1ccccc1NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(C)=O ZINC001540814948 1071004738 /nfs/dbraw/zinc/00/47/38/1071004738.db2.gz ZAFSLRNGRJXMDD-UHFFFAOYSA-N -1 0 352.394 2.588 20 30 FFEDRM C=CC[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)C(=O)[O-] ZINC001329215221 1048621358 /nfs/dbraw/zinc/62/13/58/1048621358.db2.gz NMRZWHISBRQDND-XEZPLFJOSA-N -1 0 352.228 2.872 20 30 FFEDRM Cc1ccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc1C ZINC001330505282 1049184319 /nfs/dbraw/zinc/18/43/19/1049184319.db2.gz IVMJEQWZVHMIPS-DLBZAZTESA-N -1 0 354.431 2.784 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(c3cccc(C#N)c3)CC2)n1 ZINC001334265006 1049341307 /nfs/dbraw/zinc/34/13/07/1049341307.db2.gz KXUBZCIHJXUBNP-HNNXBMFYSA-N -1 0 365.414 2.774 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)cc1C#N ZINC001294656413 1049790377 /nfs/dbraw/zinc/79/03/77/1049790377.db2.gz WMUNRIOHLQAKLG-SNVBAGLBSA-N -1 0 373.409 2.911 20 30 FFEDRM C=CCONC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001297985099 1050346762 /nfs/dbraw/zinc/34/67/62/1050346762.db2.gz MSDXEMFZDRPOSY-UHFFFAOYSA-N -1 0 360.435 2.952 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001342355491 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CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C(F)F)[nH]n2)C1=O ZINC001448749075 1058812966 /nfs/dbraw/zinc/81/29/66/1058812966.db2.gz KIAOCFNPYRTPPC-INIZCTEOSA-N -1 0 371.388 2.663 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C#N)cnn2-c2ccccc2)c1F ZINC001200675322 1059049651 /nfs/dbraw/zinc/04/96/51/1059049651.db2.gz CFISZWBTJJHLSV-UHFFFAOYSA-N -1 0 356.382 2.992 20 30 FFEDRM N#CC(=C([O-])c1ccc(CN2CCOCC2)o1)c1cnc2ccccc2n1 ZINC001514887617 1059137592 /nfs/dbraw/zinc/13/75/92/1059137592.db2.gz ZEDCJXDKSRIQJV-HNNXBMFYSA-N -1 0 362.389 2.545 20 30 FFEDRM CC[C@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC001514948654 1059161312 /nfs/dbraw/zinc/16/13/12/1059161312.db2.gz VNVSVPZAFWTARP-WCQYABFASA-N -1 0 360.364 2.771 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)CC(=O)c2cccs2)cc1C#N ZINC001546050223 1059363384 /nfs/dbraw/zinc/36/33/84/1059363384.db2.gz QNNGWQWVOXZFME-VIFPVBQESA-N -1 0 361.448 2.834 20 30 FFEDRM Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[n-]2)cc(C)c1C#N ZINC001454676070 1059605106 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374.299 2.545 20 30 FFEDRM C=C(C)C(C)(C)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001588530150 1080079927 /nfs/dbraw/zinc/07/99/27/1080079927.db2.gz SJAGOPZHZRAITA-DMAKZNTKSA-N -1 0 365.470 2.870 20 30 FFEDRM C=C(Br)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588528998 1080080078 /nfs/dbraw/zinc/08/00/78/1080080078.db2.gz MBUQTDXTPPQHRX-GFCCVEGCSA-N -1 0 371.279 2.686 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC001588546496 1080088466 /nfs/dbraw/zinc/08/84/66/1080088466.db2.gz MMONYSNVFXOBTB-NSHDSACASA-N -1 0 357.160 2.507 20 30 FFEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001588547573 1080090750 /nfs/dbraw/zinc/09/07/50/1080090750.db2.gz LZCNFTNHNSCOFV-GFCCVEGCSA-N -1 0 365.455 2.908 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001588555939 1080094482 /nfs/dbraw/zinc/09/44/82/1080094482.db2.gz XLHWSUWZSSZPGZ-SNVBAGLBSA-N -1 0 369.773 2.639 20 30 FFEDRM C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588576960 1080105188 /nfs/dbraw/zinc/10/51/88/1080105188.db2.gz IXXCYFKZFJYECN-AWEZNQCLSA-N -1 0 358.446 2.634 20 30 FFEDRM C=C(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588578544 1080106116 /nfs/dbraw/zinc/10/61/16/1080106116.db2.gz LOIIJTMLEXEHOM-LJQANCHMSA-N -1 0 369.400 2.590 20 30 FFEDRM C=CCC[C@H](NC(=O)NCc1ccc(-c2nn[nH]n2)cn1)c1ccccc1 ZINC001588578579 1080106618 /nfs/dbraw/zinc/10/66/18/1080106618.db2.gz BNNYYYYVRQJWQW-KRWDZBQOSA-N -1 0 363.425 2.768 20 30 FFEDRM C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588579079 1080107336 /nfs/dbraw/zinc/10/73/36/1080107336.db2.gz TZNXIEDTQURFSY-AWEZNQCLSA-N -1 0 371.397 2.730 20 30 FFEDRM C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588579358 1080107442 /nfs/dbraw/zinc/10/74/42/1080107442.db2.gz ZMTQUXGZXIFMCB-LJQANCHMSA-N -1 0 356.426 2.831 20 30 FFEDRM C=CCCCC(=O)N(C)CCCNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001588581790 1080107445 /nfs/dbraw/zinc/10/74/45/1080107445.db2.gz AIBMBLLGQCSRLD-UHFFFAOYSA-N -1 0 363.853 2.532 20 30 FFEDRM C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588585969 1080110199 /nfs/dbraw/zinc/11/01/99/1080110199.db2.gz AKIBUZNBEZCZRO-BDAKNGLRSA-N -1 0 369.882 2.638 20 30 FFEDRM C=C(C)Cn1c(-c2nnc(C(C)(C)C)o2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588589274 1080112894 /nfs/dbraw/zinc/11/28/94/1080112894.db2.gz LEPOSVIATMCRHA-SFHVURJKSA-N -1 0 374.445 2.503 20 30 FFEDRM C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588589976 1080113794 /nfs/dbraw/zinc/11/37/94/1080113794.db2.gz VJQLLNWYMMXNML-HNNXBMFYSA-N -1 0 367.862 2.932 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588591669 1080114431 /nfs/dbraw/zinc/11/44/31/1080114431.db2.gz LKGFZRJAHAWDGW-IUODEOHRSA-N -1 0 355.398 2.717 20 30 FFEDRM C=CCCCCCn1c(C)c(Br)cc(-c2nnn[n-]2)c1=O ZINC001588595927 1080117125 /nfs/dbraw/zinc/11/71/25/1080117125.db2.gz ALKIGIYIBKGEOC-UHFFFAOYSA-N 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C=C(CCC(=O)[O-])C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001588623862 1080126364 /nfs/dbraw/zinc/12/63/64/1080126364.db2.gz ZIVKMGABNPYVBJ-SFHVURJKSA-N -1 0 354.447 2.561 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001588629457 1080128439 /nfs/dbraw/zinc/12/84/39/1080128439.db2.gz BQBPMHGNKSHCJP-SHTZXODSSA-N -1 0 368.474 2.855 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC001588629745 1080128484 /nfs/dbraw/zinc/12/84/84/1080128484.db2.gz SECLMIVQQZQNME-UHFFFAOYSA-N -1 0 358.188 2.826 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2cc(F)c(Br)cc2[nH]1 ZINC001588632935 1080129479 /nfs/dbraw/zinc/12/94/79/1080129479.db2.gz FQHDMIAOBIMZSO-UHFFFAOYSA-N -1 0 356.151 2.824 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001588634235 1080129913 /nfs/dbraw/zinc/12/99/13/1080129913.db2.gz ZQHHGMXNSLJWOX-CQSZACIVSA-N -1 0 351.424 2.550 20 30 FFEDRM C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588643412 1080135879 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AVUWMFSVBWISGK-JTQLQIEISA-N -1 0 357.204 2.514 20 30 FFEDRM C=CCC1(NC(=O)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCCC1 ZINC001588767369 1080185087 /nfs/dbraw/zinc/18/50/87/1080185087.db2.gz XXUOZJVLFIQHRH-UHFFFAOYSA-N -1 0 352.337 2.607 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001588771647 1080188501 /nfs/dbraw/zinc/18/85/01/1080188501.db2.gz XIFVBNBNPVJXKL-RISCZKNCSA-N -1 0 368.411 2.706 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001588770742 1080188519 /nfs/dbraw/zinc/18/85/19/1080188519.db2.gz FKXCVOLWMSFKJH-BXUZGUMPSA-N -1 0 371.430 2.946 20 30 FFEDRM C=CC[C@H]1N(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)CCCC1(C)C ZINC001588774123 1080189780 /nfs/dbraw/zinc/18/97/80/1080189780.db2.gz UDNLLWHQPIGEEW-OAHLLOKOSA-N -1 0 352.456 2.844 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(F)c(N)c(F)c2)o1 ZINC001588781085 1080192923 /nfs/dbraw/zinc/19/29/23/1080192923.db2.gz CMCHUWTXHITHSF-UHFFFAOYSA-N -1 0 362.344 2.675 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588789922 1080197646 /nfs/dbraw/zinc/19/76/46/1080197646.db2.gz NBJZXYDPIHGYDW-KUHUBIRLSA-N -1 0 368.474 2.949 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588794931 1080199781 /nfs/dbraw/zinc/19/97/81/1080199781.db2.gz WVZZYNKDSVXXMB-NRFANRHFSA-N -1 0 366.417 2.874 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2c(F)cccc2F)cc1C)C(=O)[O-] ZINC001588797925 1080200470 /nfs/dbraw/zinc/20/04/70/1080200470.db2.gz OASXDJOTRSPUHG-CQSZACIVSA-N -1 0 363.364 2.998 20 30 FFEDRM C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588813222 1080204914 /nfs/dbraw/zinc/20/49/14/1080204914.db2.gz KKVLRFUPTOUTIL-HNNXBMFYSA-N -1 0 374.441 2.740 20 30 FFEDRM C=CCCSCCNC(=O)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001588814682 1080206493 /nfs/dbraw/zinc/20/64/93/1080206493.db2.gz LCETZPUSASANAV-UHFFFAOYSA-N -1 0 374.821 2.541 20 30 FFEDRM C=CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588829242 1080210911 /nfs/dbraw/zinc/21/09/11/1080210911.db2.gz LOKYAWXYGYVXLM-GOSISDBHSA-N -1 0 356.422 2.875 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001588832728 1080211407 /nfs/dbraw/zinc/21/14/07/1080211407.db2.gz NTXHNHVJNIVCRR-UHFFFAOYSA-N -1 0 361.423 2.999 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)C(=O)[O-] ZINC001588859173 1080220620 /nfs/dbraw/zinc/22/06/20/1080220620.db2.gz BXPYZZZQBUBXFN-LLVKDONJSA-N -1 0 368.183 2.581 20 30 FFEDRM C=CCOc1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001588869656 1080222292 /nfs/dbraw/zinc/22/22/92/1080222292.db2.gz SWGVGEUXUMSEOD-UHFFFAOYSA-N -1 0 372.446 2.974 20 30 FFEDRM C=CCOc1ccc(CC(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001588874044 1080225335 /nfs/dbraw/zinc/22/53/35/1080225335.db2.gz TUMWHAKBEQCLHC-UHFFFAOYSA-N -1 0 367.401 2.913 20 30 FFEDRM C=CCOc1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001588874978 1080226126 /nfs/dbraw/zinc/22/61/26/1080226126.db2.gz NMYZUSKXPOCZRR-UHFFFAOYSA-N -1 0 355.390 2.817 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1COc2ccccc2O1 ZINC001588882500 1080231239 /nfs/dbraw/zinc/23/12/39/1080231239.db2.gz WNENOKFFGKNVHU-QGZVFWFLSA-N -1 0 370.357 2.867 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(CCC#N)c1C ZINC001588885814 1080234186 /nfs/dbraw/zinc/23/41/86/1080234186.db2.gz YIJDUZFSCFVZLS-UHFFFAOYSA-N -1 0 369.377 2.760 20 30 FFEDRM C=CCn1c(-c2ccc(COC)o2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588889033 1080236125 /nfs/dbraw/zinc/23/61/25/1080236125.db2.gz IXNAAPAHLTXRPS-DJJJIMSYSA-N -1 0 372.425 2.562 20 30 FFEDRM C=CCn1c(-c2ncoc2C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588891445 1080239604 /nfs/dbraw/zinc/23/96/04/1080239604.db2.gz KRJCLQACSLGBNO-CYBMUJFWSA-N -1 0 359.430 2.755 20 30 FFEDRM C=CCn1c([C@H](C)[C@H](O)CC)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895844 1080245089 /nfs/dbraw/zinc/24/50/89/1080245089.db2.gz NOVYJCGFQWVBFA-QLFBSQMISA-N -1 0 364.490 2.666 20 30 FFEDRM C=CCn1c([C@@H](O)/C=C\CC)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588896481 1080246356 /nfs/dbraw/zinc/24/63/56/1080246356.db2.gz RMOBLCJCCXGACZ-LZNQSLFOSA-N -1 0 360.414 2.700 20 30 FFEDRM C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588896488 1080246396 /nfs/dbraw/zinc/24/63/96/1080246396.db2.gz KDZTTXFUTMKUOJ-QJPTWQEYSA-N -1 0 359.455 2.736 20 30 FFEDRM C=CCn1c([C@H](C)[C@H](O)CC)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588896457 1080246643 /nfs/dbraw/zinc/24/66/43/1080246643.db2.gz RINRGTWFXGHLII-CZUORRHYSA-N -1 0 358.442 2.673 20 30 FFEDRM C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588900165 1080248051 /nfs/dbraw/zinc/24/80/51/1080248051.db2.gz BXOIIZSTENBWMH-IBGZPJMESA-N -1 0 374.416 2.609 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588916764 1080262643 /nfs/dbraw/zinc/26/26/43/1080262643.db2.gz CWIHIOXDLOJTIZ-MCIONIFRSA-N -1 0 357.328 2.929 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001588917022 1080263521 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20 30 FFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000178733433 510745013 /nfs/dbraw/zinc/74/50/13/510745013.db2.gz SZHXFFKKPBWLMD-UHFFFAOYSA-N -1 0 363.399 2.527 20 30 FFEDRM C=CCC[C@@H](NC(=O)c1cc(Br)c(OC)c(OC)c1)C(=O)[O-] ZINC000263551068 510745162 /nfs/dbraw/zinc/74/51/62/510745162.db2.gz WLZWIDSMNMTBFS-LLVKDONJSA-N -1 0 372.215 2.616 20 30 FFEDRM C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1noc(Cc2ccccc2)n1 ZINC000178846978 510800992 /nfs/dbraw/zinc/80/09/92/510800992.db2.gz PVMPWDALHVGIEL-CYBMUJFWSA-N -1 0 368.418 2.572 20 30 FFEDRM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2F)n1 ZINC000195444549 510827402 /nfs/dbraw/zinc/82/74/02/510827402.db2.gz PMIBFDCEUCKFAN-UHFFFAOYSA-N -1 0 371.397 2.696 20 30 FFEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000182261737 510837090 /nfs/dbraw/zinc/83/70/90/510837090.db2.gz LWAZVDMATFWENX-UHFFFAOYSA-N -1 0 357.313 2.695 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000277278987 510957654 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Cc1cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)cc(C(=O)[O-])c1C ZINC000434638362 513376645 /nfs/dbraw/zinc/37/66/45/513376645.db2.gz AVOASBSGZALSMB-OAHLLOKOSA-N -1 0 350.440 2.705 20 30 FFEDRM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000440825377 513416231 /nfs/dbraw/zinc/41/62/31/513416231.db2.gz KJPMJLJQACFIJM-UHFFFAOYSA-N -1 0 362.407 2.693 20 30 FFEDRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000447270644 513432438 /nfs/dbraw/zinc/43/24/38/513432438.db2.gz LPURDRUJLBIVGV-UHFFFAOYSA-N -1 0 361.379 2.893 20 30 FFEDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C#N)s1 ZINC000421912427 513472250 /nfs/dbraw/zinc/47/22/50/513472250.db2.gz IBARQFROMLUPHW-UHFFFAOYSA-N -1 0 363.464 2.701 20 30 FFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451034367 513474538 /nfs/dbraw/zinc/47/45/38/513474538.db2.gz CTKQIASJURXHAR-UHFFFAOYSA-N -1 0 352.437 2.754 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(-c3ccc(C)o3)n[nH]2)cc1C#N ZINC000447807044 513577427 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Cc1c(C#N)c(N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)nc2ccccc12 ZINC000416444417 513775161 /nfs/dbraw/zinc/77/51/61/513775161.db2.gz ISSHUTMBYASAFU-SJORKVTESA-N -1 0 366.421 2.537 20 30 FFEDRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000436163949 513780155 /nfs/dbraw/zinc/78/01/55/513780155.db2.gz XSTJGNPUIWQEFJ-UHFFFAOYSA-N -1 0 366.420 2.524 20 30 FFEDRM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442979409 513834583 /nfs/dbraw/zinc/83/45/83/513834583.db2.gz ZVZDRABBEDNQRW-UHFFFAOYSA-N -1 0 359.407 2.668 20 30 FFEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000422824090 513942713 /nfs/dbraw/zinc/94/27/13/513942713.db2.gz MUQYXRKMASOYKM-KRWDZBQOSA-N -1 0 364.486 2.685 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)c1C#N ZINC000431675125 513964801 /nfs/dbraw/zinc/96/48/01/513964801.db2.gz WELLNKOFTMIAGN-UHFFFAOYSA-N -1 0 374.326 2.777 20 30 FFEDRM C=CCC(C)(C)CNS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000414332204 514051986 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20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738922021 600114013 /nfs/dbraw/zinc/11/40/13/600114013.db2.gz ZEXNJRBPSUZMCE-UHFFFAOYSA-N -1 0 365.393 2.947 20 30 FFEDRM Cc1[nH]c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c(C)c1C(=O)[O-] ZINC000738157707 600171802 /nfs/dbraw/zinc/17/18/02/600171802.db2.gz CKVNQYUPCLCJMP-UHFFFAOYSA-N -1 0 369.377 2.661 20 30 FFEDRM N#C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000739075025 600229917 /nfs/dbraw/zinc/22/99/17/600229917.db2.gz QEXWIZMWYJDVTR-INIZCTEOSA-N -1 0 351.337 2.860 20 30 FFEDRM C=CC1CCN(c2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)CC1 ZINC000736096290 600239547 /nfs/dbraw/zinc/23/95/47/600239547.db2.gz JZAAMXPRZSSSID-UHFFFAOYSA-N -1 0 359.813 2.987 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737451409 600308951 /nfs/dbraw/zinc/30/89/51/600308951.db2.gz MBTTXWLWEBURRD-UHFFFAOYSA-N -1 0 371.780 2.507 20 30 FFEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736616181 600359482 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2.826 20 30 FFEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1OC ZINC000737950133 600604779 /nfs/dbraw/zinc/60/47/79/600604779.db2.gz YGZGLOYVXHCYIM-OAHLLOKOSA-N -1 0 371.345 2.567 20 30 FFEDRM CSc1ncc(Cl)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000738216133 600606580 /nfs/dbraw/zinc/60/65/80/600606580.db2.gz TXGCURUYKVGBIL-LBPRGKRZSA-N -1 0 363.782 2.706 20 30 FFEDRM CCOc1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC000737220977 600617579 /nfs/dbraw/zinc/61/75/79/600617579.db2.gz WHWULGVQXAUCKM-AWEZNQCLSA-N -1 0 360.753 2.988 20 30 FFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1Br ZINC000739073920 600632861 /nfs/dbraw/zinc/63/28/61/600632861.db2.gz GBXZVSXVWCUKIP-ZDUSSCGKSA-N -1 0 360.167 2.537 20 30 FFEDRM C[C@H](NC(=O)NCc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000736644918 600643595 /nfs/dbraw/zinc/64/35/95/600643595.db2.gz APWMFUOETDOEIB-ZDUSSCGKSA-N -1 0 353.378 2.582 20 30 FFEDRM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736472563 600649681 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FFEDRM C[C@@H](NC(=O)NCc1cccc(OCC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827664002 600772106 /nfs/dbraw/zinc/77/21/06/600772106.db2.gz BIGHFHZLANPTBP-CYBMUJFWSA-N -1 0 353.378 2.582 20 30 FFEDRM CCCNC(=O)c1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737028558 600806013 /nfs/dbraw/zinc/80/60/13/600806013.db2.gz JCFDDHHAYNYMFJ-KRWDZBQOSA-N -1 0 366.373 2.681 20 30 FFEDRM COc1cc(C(=O)[O-])cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1OC ZINC000831912937 600894396 /nfs/dbraw/zinc/89/43/96/600894396.db2.gz IARXUJIIMFWOBI-LLVKDONJSA-N -1 0 369.377 2.713 20 30 FFEDRM C=CCc1cc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000262529753 600916886 /nfs/dbraw/zinc/91/68/86/600916886.db2.gz HVWNUYBEDFYDJY-HZPDHXFCSA-N -1 0 361.438 2.940 20 30 FFEDRM COC(=O)c1cc(NC(=O)/C=C\c2ccccc2C#N)ccc1C(=O)[O-] ZINC000831264996 600944049 /nfs/dbraw/zinc/94/40/49/600944049.db2.gz VNQDSSWQWAZQMG-TWGQIWQCSA-N -1 0 350.330 2.695 20 30 FFEDRM C#Cc1cccc(NC(=S)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)c1 ZINC000825636057 600972670 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601350674 /nfs/dbraw/zinc/35/06/74/601350674.db2.gz LHCKPJYERMOXJV-MRXNPFEDSA-N -1 0 365.301 2.930 20 30 FFEDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890426 601350799 /nfs/dbraw/zinc/35/07/99/601350799.db2.gz SHLKYLJBQLDDAL-HWPZZCPQSA-N -1 0 361.300 2.973 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000833064463 601385447 /nfs/dbraw/zinc/38/54/47/601385447.db2.gz JGZCGGDOSZACAW-SJORKVTESA-N -1 0 370.430 2.845 20 30 FFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cc(CO)on3)c2)c1 ZINC000833327468 601387557 /nfs/dbraw/zinc/38/75/57/601387557.db2.gz MRQHZNVOYPJURP-UHFFFAOYSA-N -1 0 362.341 2.517 20 30 FFEDRM N#Cc1ccc([C@@H](N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C(=O)[O-])cc1 ZINC000833071785 601392973 /nfs/dbraw/zinc/39/29/73/601392973.db2.gz LCTOTUWVEMIELA-IAGOWNOFSA-N -1 0 369.808 2.732 20 30 FFEDRM C/C(=C/COC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)[O-] ZINC000825781118 601408022 /nfs/dbraw/zinc/40/80/22/601408022.db2.gz 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CCOC(=O)c1sc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)nc1C ZINC000829895210 601644091 /nfs/dbraw/zinc/64/40/91/601644091.db2.gz KEEPGFGUDUZWIQ-FZMZJTMJSA-N -1 0 373.434 2.976 20 30 FFEDRM C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000828388377 601774224 /nfs/dbraw/zinc/77/42/24/601774224.db2.gz XZLNUPSSMIENJU-NHYWBVRUSA-N -1 0 370.434 2.790 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000825681852 601784529 /nfs/dbraw/zinc/78/45/29/601784529.db2.gz IWJIFWBZCPHYIY-RHSMWYFYSA-N -1 0 371.437 2.685 20 30 FFEDRM COc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1Cn1cccn1 ZINC000832156675 601793963 /nfs/dbraw/zinc/79/39/63/601793963.db2.gz BPZLTCPMDZPULY-HWKANZROSA-N -1 0 351.362 2.862 20 30 FFEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1nc(C(F)(F)F)cs1 ZINC000833016228 601807019 /nfs/dbraw/zinc/80/70/19/601807019.db2.gz REMNTDQNDZFUMV-UHFFFAOYSA-N -1 0 361.349 2.896 20 30 FFEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCCC[C@@H]2CNC(=O)[O-])c1C ZINC000740171501 602046355 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Cc1c(C(=O)[O-])sc2nc(C)nc(NCC3CCN(CC#N)CC3)c12 ZINC000833002951 602133327 /nfs/dbraw/zinc/13/33/27/602133327.db2.gz JGSVPQZBFGTTPS-UHFFFAOYSA-N -1 0 359.455 2.654 20 30 FFEDRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1 ZINC000739237051 602214166 /nfs/dbraw/zinc/21/41/66/602214166.db2.gz STRIQZSNJLEIMJ-YVEFUNNKSA-N -1 0 370.409 2.778 20 30 FFEDRM C=CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1cnccn1 ZINC000825711043 602241917 /nfs/dbraw/zinc/24/19/17/602241917.db2.gz MLVLWRRJIUNMKA-UHFFFAOYSA-N -1 0 353.407 2.912 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(NC(=O)[O-])CC2)c1 ZINC000740322489 602245915 /nfs/dbraw/zinc/24/59/15/602245915.db2.gz DLGOTEMKRXHMBC-UHFFFAOYSA-N -1 0 369.377 2.602 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCCN(C(=O)[O-])CC2)c1 ZINC000738434179 602246168 /nfs/dbraw/zinc/24/61/68/602246168.db2.gz VUKPFPMQJTXLFH-UHFFFAOYSA-N -1 0 369.377 2.556 20 30 FFEDRM C[C@H](NC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000738995300 602267585 /nfs/dbraw/zinc/26/75/85/602267585.db2.gz SWYHLRVHCNYBGM-NSHDSACASA-N -1 0 357.341 2.871 20 30 FFEDRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000827324657 602275395 /nfs/dbraw/zinc/27/53/95/602275395.db2.gz IZKSFEIILQPVOM-AACANCPSSA-N -1 0 359.422 2.910 20 30 FFEDRM N#Cc1cccc(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000833074978 602290644 /nfs/dbraw/zinc/29/06/44/602290644.db2.gz HVDDLEMDVCPSGT-QGZVFWFLSA-N -1 0 352.415 2.688 20 30 FFEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829808787 602308142 /nfs/dbraw/zinc/30/81/42/602308142.db2.gz FELMRVLJOBKKSL-POHAHGRESA-N -1 0 371.418 2.889 20 30 FFEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000832868970 602328348 /nfs/dbraw/zinc/32/83/48/602328348.db2.gz WHTVDKDICSEOQY-UHFFFAOYSA-N -1 0 351.767 2.986 20 30 FFEDRM C=CCc1ccc(OCC(=O)N(C)c2ncc(C(=O)[O-])s2)c(OC)c1 ZINC000825705410 602339573 /nfs/dbraw/zinc/33/95/73/602339573.db2.gz GOVSTNRIVHWNQP-UHFFFAOYSA-N -1 0 362.407 2.620 20 30 FFEDRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000739228223 602358079 /nfs/dbraw/zinc/35/80/79/602358079.db2.gz SMXVKRBOUIEWMD-CXAGYDPISA-N -1 0 359.426 2.610 20 30 FFEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738613619 602383245 /nfs/dbraw/zinc/38/32/45/602383245.db2.gz KYRYIVKWDBOUJE-MRXNPFEDSA-N -1 0 372.469 2.644 20 30 FFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739494162 602411747 /nfs/dbraw/zinc/41/17/47/602411747.db2.gz LWIHKFDXCMEURT-UHFFFAOYSA-N -1 0 360.414 2.811 20 30 FFEDRM CN(C(=O)CCCCOc1cccc(C#N)c1)C1CCN(C(=O)[O-])CC1 ZINC000739573040 602493067 /nfs/dbraw/zinc/49/30/67/602493067.db2.gz VGXZETSBWNTOIH-UHFFFAOYSA-N -1 0 359.426 2.708 20 30 FFEDRM CC(C)N(CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000738839064 602510652 /nfs/dbraw/zinc/51/06/52/602510652.db2.gz XAYRDRCDKKMLAW-UHFFFAOYSA-N -1 0 359.426 2.707 20 30 FFEDRM N#Cc1ccc(NC(=O)COC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740317890 602551984 /nfs/dbraw/zinc/55/19/84/602551984.db2.gz TVDWLMMBWSBGNQ-UHFFFAOYSA-N -1 0 357.297 2.583 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000738490259 602626178 /nfs/dbraw/zinc/62/61/78/602626178.db2.gz PCASZZGAVBFNRA-LJQANCHMSA-N -1 0 363.417 2.952 20 30 FFEDRM CCOc1ccc(C#N)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000739494515 602626408 /nfs/dbraw/zinc/62/64/08/602626408.db2.gz OCYXYYRCLXMLIY-INIZCTEOSA-N -1 0 353.378 2.774 20 30 FFEDRM C#CCN(C(=O)NCCCN(Cc1cccnc1)C(=O)[O-])C1CCCCC1 ZINC000738457825 602636047 /nfs/dbraw/zinc/63/60/47/602636047.db2.gz YIBYDXSBJOXUPF-UHFFFAOYSA-N -1 0 372.469 2.929 20 30 FFEDRM CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000739717181 602639132 /nfs/dbraw/zinc/63/91/32/602639132.db2.gz UZLCQAGVCLDWTJ-KRWDZBQOSA-N -1 0 358.442 2.916 20 30 FFEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)COCCNC(=O)[O-])cc1 ZINC000740309212 602661187 /nfs/dbraw/zinc/66/11/87/602661187.db2.gz FUUCOTZTQACLFB-KRWDZBQOSA-N -1 0 353.378 2.565 20 30 FFEDRM N#C[C@H](C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCC1 ZINC000740304577 602670793 /nfs/dbraw/zinc/67/07/93/602670793.db2.gz WKQMREBDVIYUND-CVEARBPZSA-N -1 0 357.410 2.543 20 30 FFEDRM N#C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000738423680 602676451 /nfs/dbraw/zinc/67/64/51/602676451.db2.gz UOWGGKCKFPJIGR-ZDUSSCGKSA-N -1 0 371.315 2.656 20 30 FFEDRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000739153323 602714456 /nfs/dbraw/zinc/71/44/56/602714456.db2.gz BOSJPWUTMWAQPE-CYBMUJFWSA-N -1 0 369.377 2.555 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000740066527 602784406 /nfs/dbraw/zinc/78/44/06/602784406.db2.gz LADSKQWPZGISGA-FUHWJXTLSA-N -1 0 372.469 2.528 20 30 FFEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cccc(OCC#N)c1 ZINC000739970312 602894677 /nfs/dbraw/zinc/89/46/77/602894677.db2.gz WJMKEQOSNMTYHV-MRXNPFEDSA-N -1 0 355.350 2.545 20 30 FFEDRM N#C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000831071187 602895632 /nfs/dbraw/zinc/89/56/32/602895632.db2.gz ZUIFGJSQVQLMDC-WCQYABFASA-N -1 0 371.315 2.799 20 30 FFEDRM N#C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000831070098 602900021 /nfs/dbraw/zinc/90/00/21/602900021.db2.gz DMFHNRPVCDPBRT-CYBMUJFWSA-N -1 0 355.316 2.776 20 30 FFEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)OCc1cc(C#N)ccc1F ZINC000739968966 602939211 /nfs/dbraw/zinc/93/92/11/602939211.db2.gz MAMXANBSTWTYJG-INIZCTEOSA-N -1 0 358.325 2.758 20 30 FFEDRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000740573267 602948650 /nfs/dbraw/zinc/94/86/50/602948650.db2.gz HSVPEBLGACBWKU-UONOGXRCSA-N -1 0 354.328 2.609 20 30 FFEDRM N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738425066 602995648 /nfs/dbraw/zinc/99/56/48/602995648.db2.gz AJPUEOHBMHDESZ-NSHDSACASA-N -1 0 352.774 2.676 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000740274929 603068506 /nfs/dbraw/zinc/06/85/06/603068506.db2.gz VRAYSYRZHJZGSR-UHFFFAOYSA-N -1 0 356.382 2.559 20 30 FFEDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000739206492 603135484 /nfs/dbraw/zinc/13/54/84/603135484.db2.gz YQVZVMGUAQRACV-IUODEOHRSA-N -1 0 361.398 2.811 20 30 FFEDRM CN(C[C@H]1CCCN1C(=O)CCCCOc1cccc(C#N)c1)C(=O)[O-] ZINC000828185339 603151433 /nfs/dbraw/zinc/15/14/33/603151433.db2.gz CTKKQDYLUSCKAO-MRXNPFEDSA-N -1 0 359.426 2.708 20 30 FFEDRM COCCN(CC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000739811458 603170264 /nfs/dbraw/zinc/17/02/64/603170264.db2.gz DAUMKMNZUKURFX-CYBMUJFWSA-N -1 0 359.407 2.613 20 30 FFEDRM CN(C[C@@H]1CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000828235138 603205012 /nfs/dbraw/zinc/20/50/12/603205012.db2.gz CVGJRLMMDXJLJZ-ZDUSSCGKSA-N -1 0 355.354 2.593 20 30 FFEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740314122 603206157 /nfs/dbraw/zinc/20/61/57/603206157.db2.gz SRBFSOJKHGGUMT-UONOGXRCSA-N -1 0 353.382 2.509 20 30 FFEDRM N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740314132 603206169 /nfs/dbraw/zinc/20/61/69/603206169.db2.gz SRBFSOJKHGGUMT-ZIAGYGMSSA-N -1 0 353.382 2.509 20 30 FFEDRM COc1ccc(C#N)cc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829268672 603298682 /nfs/dbraw/zinc/29/86/82/603298682.db2.gz LZGXXRGWEIARAY-HNNXBMFYSA-N -1 0 354.366 2.697 20 30 FFEDRM C#CCOc1cccc(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000823467459 603314091 /nfs/dbraw/zinc/31/40/91/603314091.db2.gz WTNAXFLZIBXQAC-KRWDZBQOSA-N -1 0 353.378 2.829 20 30 FFEDRM O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000832557126 603317764 /nfs/dbraw/zinc/31/77/64/603317764.db2.gz SRWHJAWVASKGEV-SFHVURJKSA-N -1 0 364.405 2.745 20 30 FFEDRM CC(C)CN(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1ccc(C#N)cc1 ZINC000738821870 603390945 /nfs/dbraw/zinc/39/09/45/603390945.db2.gz UVYPQZAXNHRXJJ-KRWDZBQOSA-N -1 0 359.426 2.706 20 30 FFEDRM C[C@H](C(=O)N(CCC#N)Cc1cccnc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823655817 603418618 /nfs/dbraw/zinc/41/86/18/603418618.db2.gz WGHHJDLSLGIUBK-MAUKXSAKSA-N -1 0 366.421 2.969 20 30 FFEDRM O=C([O-])N(CC1CC1)C1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000831610531 603478222 /nfs/dbraw/zinc/47/82/22/603478222.db2.gz MXELVRCQWMRGAV-UHFFFAOYSA-N -1 0 355.438 2.602 20 30 FFEDRM Cc1nc(-c2cccs2)sc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000830697053 603593999 /nfs/dbraw/zinc/59/39/99/603593999.db2.gz CJLVJTHWJSTYEE-JTQLQIEISA-N -1 0 362.436 2.508 20 30 FFEDRM C=CCn1c(C)nn(CN2CCC(CN(CC)C(=O)[O-])CC2)c1=S ZINC000823522070 603599185 /nfs/dbraw/zinc/59/91/85/603599185.db2.gz QYCITFWQYPHUID-UHFFFAOYSA-N -1 0 353.492 2.578 20 30 FFEDRM CC(C)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)NC(=O)[O-] ZINC000824001158 603666626 /nfs/dbraw/zinc/66/66/26/603666626.db2.gz AJMDNWIQBWBPGI-UHFFFAOYSA-N -1 0 357.366 2.506 20 30 FFEDRM N#Cc1ccc(CC(=O)OC[C@]2(C(F)(F)F)CCN(C(=O)[O-])C2)cc1 ZINC000831122386 603677868 /nfs/dbraw/zinc/67/78/68/603677868.db2.gz FWFJHKPZADSAAS-HNNXBMFYSA-N -1 0 356.300 2.576 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000831070619 603698530 /nfs/dbraw/zinc/69/85/30/603698530.db2.gz OWENUNHIOKPWFQ-TVFCKZIOSA-N -1 0 370.453 2.904 20 30 FFEDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000832263717 603749559 /nfs/dbraw/zinc/74/95/59/603749559.db2.gz VLTCPQYZPNQEKO-OCCSQVGLSA-N -1 0 354.328 2.609 20 30 FFEDRM N#Cc1ccc(COC(=O)[C@H]2CCCN(C(=O)[O-])C2)c(OC(F)F)c1 ZINC000831126703 603797462 /nfs/dbraw/zinc/79/74/62/603797462.db2.gz PKHAJUOVFAJKGC-NSHDSACASA-N -1 0 354.309 2.593 20 30 FFEDRM N#Cc1cccc(-c2nnc(COC(=O)C3(NC(=O)[O-])CCCCC3)o2)c1 ZINC000831146483 603797655 /nfs/dbraw/zinc/79/76/55/603797655.db2.gz REUCOJJGTJKOPO-UHFFFAOYSA-N -1 0 370.365 2.622 20 30 FFEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000826912374 603845993 /nfs/dbraw/zinc/84/59/93/603845993.db2.gz YRIJZBFKKMJNSU-IRXDYDNUSA-N -1 0 358.442 2.916 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000831070397 603848661 /nfs/dbraw/zinc/84/86/61/603848661.db2.gz KGNDYTXQQONTSN-NXHRZFHOSA-N -1 0 370.453 2.858 20 30 FFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1C ZINC000823522038 603876492 /nfs/dbraw/zinc/87/64/92/603876492.db2.gz PZLXANBTQHLPDN-LSDHHAIUSA-N -1 0 362.426 2.843 20 30 FFEDRM C[C@@H](NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000825162115 603889138 /nfs/dbraw/zinc/88/91/38/603889138.db2.gz QTPWGWMSVSRNFB-CXAGYDPISA-N -1 0 352.394 2.927 20 30 FFEDRM N#CCOc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])cc1 ZINC000831102298 603982899 /nfs/dbraw/zinc/98/28/99/603982899.db2.gz GDCCYIMUOUEQHT-DLBZAZTESA-N -1 0 359.426 2.812 20 30 FFEDRM COC(=O)[C@@H](Nc1cccc2c1CCN2C(=O)[O-])c1cccc(C#N)c1 ZINC000828611512 604017124 /nfs/dbraw/zinc/01/71/24/604017124.db2.gz AMGXUBJTDVCCRQ-KRWDZBQOSA-N -1 0 351.362 2.925 20 30 FFEDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825271324 604050377 /nfs/dbraw/zinc/05/03/77/604050377.db2.gz FCDNNERVTHSSDF-NWDGAFQWSA-N -1 0 369.381 2.887 20 30 FFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(OCc2cccs2)c1 ZINC000831091376 604073705 /nfs/dbraw/zinc/07/37/05/604073705.db2.gz CKXOWVZYBNLLTF-AWEZNQCLSA-N -1 0 371.418 2.655 20 30 FFEDRM COc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)ccc2c1 ZINC000829527329 604081666 /nfs/dbraw/zinc/08/16/66/604081666.db2.gz WJOJVZPEUVHSLL-GUYCJALGSA-N -1 0 367.405 2.666 20 30 FFEDRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825016434 604088087 /nfs/dbraw/zinc/08/80/87/604088087.db2.gz QFDXCTONSJTEPS-BXUZGUMPSA-N -1 0 369.343 2.598 20 30 FFEDRM O=C([O-])NCc1nc(C(=O)OCC#Cc2ccc(Cl)cc2)cs1 ZINC000832734571 604210230 /nfs/dbraw/zinc/21/02/30/604210230.db2.gz GLQWGSBUOOOPSS-UHFFFAOYSA-N -1 0 350.783 2.773 20 30 FFEDRM Cc1cc([C@H](C#N)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])nc(C)n1 ZINC000829980530 604219178 /nfs/dbraw/zinc/21/91/78/604219178.db2.gz PCQAQBBOLQDZRP-HOTGVXAUSA-N -1 0 352.394 2.539 20 30 FFEDRM 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730828707 /nfs/dbraw/zinc/82/87/07/730828707.db2.gz NKQAXMKHBOYVLU-HZMBPMFUSA-N -1 0 370.858 2.838 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC000864526148 730857232 /nfs/dbraw/zinc/85/72/32/730857232.db2.gz CTLWATQHKARKDU-SSDOTTSWSA-N -1 0 371.768 2.599 20 30 FFEDRM N#Cc1c(Br)cccc1NCc1nc2c(c(=O)[nH]1)COCC2 ZINC000866290563 731046848 /nfs/dbraw/zinc/04/68/48/731046848.db2.gz ZIILTOLLTIYCBB-UHFFFAOYSA-N -1 0 361.199 2.501 20 30 FFEDRM COCCCCS(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867898678 731239974 /nfs/dbraw/zinc/23/99/74/731239974.db2.gz LUGWNHDZEODUQI-ZDUSSCGKSA-N -1 0 350.362 2.508 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2([C@@H]3CCCCO3)CCC2)n1 ZINC000869809924 731442081 /nfs/dbraw/zinc/44/20/81/731442081.db2.gz NDVQZDMYOZFOSU-HIFRSBDPSA-N -1 0 362.451 2.910 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000870180762 731480118 /nfs/dbraw/zinc/48/01/18/731480118.db2.gz XJNILWFZWQZBQL-UONOGXRCSA-N -1 0 374.384 2.873 20 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COc1ccc(CCNC(=O)C(C#N)=C([O-])c2nccc3ccccc32)cc1 ZINC000172021852 985445625 /nfs/dbraw/zinc/44/56/25/985445625.db2.gz WFBNKVLBZARXPL-LJQANCHMSA-N -1 0 373.412 2.925 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2nccc3ccccc32)cc1 ZINC000172021885 985446099 /nfs/dbraw/zinc/44/60/99/985446099.db2.gz RQUILAXIUKAHGN-SFHVURJKSA-N -1 0 359.385 2.882 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001599940559 985449187 /nfs/dbraw/zinc/44/91/87/985449187.db2.gz LMCRFAMNDBHPOC-UHFFFAOYSA-N -1 0 373.453 2.892 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000173944725 986023772 /nfs/dbraw/zinc/02/37/72/986023772.db2.gz BXFDUSCBDYBVME-KRWDZBQOSA-N -1 0 371.481 2.978 20 30 FFEDRM Cc1c(C(=O)/C=C\c2ccccc2OCC(=O)[O-])c(C#N)c2n1CCC2 ZINC001599975071 986076621 /nfs/dbraw/zinc/07/66/21/986076621.db2.gz RFQZJVDJQUKJGB-HJWRWDBZSA-N -1 0 350.374 2.974 20 30 FFEDRM CCOc1ccc(NC(=O)COc2cccc(C#N)c2)c(C(=O)[O-])c1F ZINC001597117687 986794582 /nfs/dbraw/zinc/79/45/82/986794582.db2.gz MPTDCIJNPNBYBH-UHFFFAOYSA-N -1 0 358.325 2.812 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000151711096 986821074 /nfs/dbraw/zinc/82/10/74/986821074.db2.gz IKGZTCCZBQJKMS-ZDUSSCGKSA-N -1 0 355.350 2.911 20 30 FFEDRM C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001594658465 986928794 /nfs/dbraw/zinc/92/87/94/986928794.db2.gz ZJLHRYGBTCXCFL-PIGZYNQJSA-N -1 0 353.330 2.528 20 30 FFEDRM C[C@@H]1CN(c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cn2)C[C@@H](C)O1 ZINC000176405904 986929923 /nfs/dbraw/zinc/92/99/23/986929923.db2.gz PJUABKFUPZYZAV-CHWSQXEVSA-N -1 0 352.394 2.525 20 30 FFEDRM N#CCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)Cc1ccc([S-])cc1 ZINC001272549813 987259766 /nfs/dbraw/zinc/25/97/66/987259766.db2.gz WASRVWQRRVFODU-FQEVSTJZSA-N -1 0 371.506 2.805 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000761544670 987299211 /nfs/dbraw/zinc/29/92/11/987299211.db2.gz JBAUOEHQCSHYTE-HZPDHXFCSA-N -1 0 370.430 2.989 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(C(C)C)n2)cc1 ZINC000762070439 988099271 /nfs/dbraw/zinc/09/92/71/988099271.db2.gz YKEKTUYXYNCOGV-INIZCTEOSA-N -1 0 351.406 2.852 20 30 FFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000762160604 988160030 /nfs/dbraw/zinc/16/00/30/988160030.db2.gz VAKDIQGGCBOGEG-UHFFFAOYSA-N -1 0 370.430 2.862 20 30 FFEDRM COc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc2c1OCCO2 ZINC000915105781 988229651 /nfs/dbraw/zinc/22/96/51/988229651.db2.gz DSULKYHQRXLZAC-DAXSKMNVSA-N -1 0 354.358 2.990 20 30 FFEDRM CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1C#N ZINC001599829845 988654745 /nfs/dbraw/zinc/65/47/45/988654745.db2.gz PCOKJQNPDIGKJL-NWDGAFQWSA-N -1 0 370.434 2.905 20 30 FFEDRM CCc1nnc(N2CCOc3cc(C(=O)[O-])ccc3C2)c(C#N)c1CC ZINC001597733942 989061473 /nfs/dbraw/zinc/06/14/73/989061473.db2.gz MOFDWRCNNVLCPX-UHFFFAOYSA-N -1 0 352.394 2.570 20 30 FFEDRM C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1CC(=O)[O-] ZINC001599863479 989207147 /nfs/dbraw/zinc/20/71/47/989207147.db2.gz KYXDLOIXMSRPOK-UKRRQHHQSA-N -1 0 368.389 2.913 20 30 FFEDRM CCn1c(Cc2cccc(C#N)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001597856850 989613203 /nfs/dbraw/zinc/61/32/03/989613203.db2.gz QHNQBPGZZAUDOK-HNNXBMFYSA-N -1 0 367.453 2.842 20 30 FFEDRM COc1ccc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1CC(=O)[O-] ZINC000915986184 989722829 /nfs/dbraw/zinc/72/28/29/989722829.db2.gz YYTCNCCHGGTWHF-GQCTYLIASA-N -1 0 367.405 2.609 20 30 FFEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000915993345 989723965 /nfs/dbraw/zinc/72/39/65/989723965.db2.gz NXKUBSVBZRFXBO-OQFOIZHKSA-N -1 0 351.358 2.931 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)OCc2ccc([N+](=O)[O-])c(C)c2)cc1C#N ZINC001127412922 989859355 /nfs/dbraw/zinc/85/93/55/989859355.db2.gz IXVPLUMTDJORFR-UHFFFAOYSA-N -1 0 359.363 2.954 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2)cc1OC ZINC000916877866 990008564 /nfs/dbraw/zinc/00/85/64/990008564.db2.gz XZSQXEFOXXYDTG-OAHLLOKOSA-N -1 0 354.410 2.510 20 30 FFEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001590481447 990072224 /nfs/dbraw/zinc/07/22/24/990072224.db2.gz CCQSYLGZTJQRAE-UAGQMJEPSA-N -1 0 358.438 2.935 20 30 FFEDRM CCc1c(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cnn1C(C)(C)C ZINC000919387410 990632299 /nfs/dbraw/zinc/63/22/99/990632299.db2.gz PTHLYFRIJSLXIN-LBPRGKRZSA-N -1 0 374.466 2.999 20 30 FFEDRM CC(C)(NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCCCC1 ZINC001590879030 990789579 /nfs/dbraw/zinc/78/95/79/990789579.db2.gz GBHZPJQXOZMJHQ-UHFFFAOYSA-N -1 0 350.440 2.894 20 30 FFEDRM COc1ccccc1C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)[O-] ZINC000923072846 990832928 /nfs/dbraw/zinc/83/29/28/990832928.db2.gz IVXVESYLGKUESX-YWZLYKJASA-N -1 0 356.422 2.529 20 30 FFEDRM CC[C@@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000175142607 991167401 /nfs/dbraw/zinc/16/74/01/991167401.db2.gz UJVSYBKXADJRBO-QGZVFWFLSA-N -1 0 372.446 2.670 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179604149 991302428 /nfs/dbraw/zinc/30/24/28/991302428.db2.gz SXBUHNRNXZKUCB-INIZCTEOSA-N -1 0 357.385 2.628 20 30 FFEDRM CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001591240416 992131929 /nfs/dbraw/zinc/13/19/29/992131929.db2.gz VBANNQUAFOSTEV-UHFFFAOYSA-N -1 0 365.817 2.765 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598518932 992654761 /nfs/dbraw/zinc/65/47/61/992654761.db2.gz FXUSPANDFHRFDR-UHFFFAOYSA-N -1 0 371.780 2.507 20 30 FFEDRM CC(C)Cn1c(CC(C)(C)C#N)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001591514171 992674298 /nfs/dbraw/zinc/67/42/98/992674298.db2.gz RRZQNMFOBKKPHO-LSDHHAIUSA-N -1 0 359.474 2.573 20 30 FFEDRM CC(C)Cn1c(N2CCC[C@](C)(C(=O)[O-])C2)nnc1C1(C#N)CCCC1 ZINC001591516154 992680092 /nfs/dbraw/zinc/68/00/92/992680092.db2.gz JOPLEQNVSOXUEA-SFHVURJKSA-N -1 0 359.474 2.961 20 30 FFEDRM C[C@@](NC(=O)c1cccc(CNc2ncccc2C#N)c1)(C(=O)[O-])C1CC1 ZINC001593175556 994047028 /nfs/dbraw/zinc/04/70/28/994047028.db2.gz QMKYTXHRAPCDQE-FQEVSTJZSA-N -1 0 364.405 2.548 20 30 FFEDRM COc1ccc2c(c1)OC[C@@H]2CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599632161 994234682 /nfs/dbraw/zinc/23/46/82/994234682.db2.gz GADMMRHWAHLNEM-LIRRHRJNSA-N -1 0 367.357 2.802 20 30 FFEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC001599647597 994447266 /nfs/dbraw/zinc/44/72/66/994447266.db2.gz LKHASDDJJRWUDY-SCLBCKFNSA-N -1 0 368.389 2.618 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCCCC2=O ZINC000810528407 994812466 /nfs/dbraw/zinc/81/24/66/994812466.db2.gz UMKIGUBPRQULHD-GOSISDBHSA-N -1 0 370.449 2.849 20 30 FFEDRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1ccc(C#N)cc1 ZINC001593326011 994872517 /nfs/dbraw/zinc/87/25/17/994872517.db2.gz FOUZNAYVDOABTI-QMMMGPOBSA-N -1 0 354.771 2.542 20 30 FFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC000810779727 994926405 /nfs/dbraw/zinc/92/64/05/994926405.db2.gz YYXCVMLJOPLDPK-INIZCTEOSA-N -1 0 371.458 2.514 20 30 FFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cc2ccccc2nc1OCCC ZINC000810779226 994928440 /nfs/dbraw/zinc/92/84/40/994928440.db2.gz DLTVMLPEEIMITC-ZHACJKMWSA-N -1 0 372.446 2.506 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000810981177 994984011 /nfs/dbraw/zinc/98/40/11/994984011.db2.gz NITFPHRUWUQBMJ-UHFFFAOYSA-N -1 0 372.450 2.517 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 ZINC000810985592 994994898 /nfs/dbraw/zinc/99/48/98/994994898.db2.gz BSRBRGNLHVQEAJ-UHFFFAOYSA-N -1 0 373.478 2.966 20 30 FFEDRM C#C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccc(F)cc1 ZINC000812755225 995527383 /nfs/dbraw/zinc/52/73/83/995527383.db2.gz PCRLZERXXCTWAL-HNNXBMFYSA-N -1 0 353.328 2.960 20 30 FFEDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001593556235 995640277 /nfs/dbraw/zinc/64/02/77/995640277.db2.gz DOUSDECKENZQOJ-LLVKDONJSA-N -1 0 374.324 2.609 20 30 FFEDRM C[C@H](OC(=O)c1ccc(Br)cc1C#N)C(=O)C(C)(C)C(=O)[O-] ZINC001593572446 995667237 /nfs/dbraw/zinc/66/72/37/995667237.db2.gz CZXJXFQWWAWOEM-QMMMGPOBSA-N -1 0 368.183 2.546 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001593610492 995802037 /nfs/dbraw/zinc/80/20/37/995802037.db2.gz AMIPSCMUBNRJNG-BBRMVZONSA-N -1 0 350.374 2.616 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593611313 995807587 /nfs/dbraw/zinc/80/75/87/995807587.db2.gz RIRHMTDLEKZVFP-MDASCCDHSA-N -1 0 364.401 2.652 20 30 FFEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001593698958 996168158 /nfs/dbraw/zinc/16/81/58/996168158.db2.gz PJRSRWCLBNLKGK-CQSZACIVSA-N -1 0 367.405 2.924 20 30 FFEDRM C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593699770 996172894 /nfs/dbraw/zinc/17/28/94/996172894.db2.gz YKUACQGFFCTXRF-LLVKDONJSA-N -1 0 362.382 2.777 20 30 FFEDRM C[C@H](c1ccccc1F)[C@H](O)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001593714120 996228249 /nfs/dbraw/zinc/22/82/49/996228249.db2.gz UNZNCXLKQQPWNK-DIFFPNOSSA-N -1 0 357.337 2.603 20 30 FFEDRM COc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC001599380950 996844177 /nfs/dbraw/zinc/84/41/77/996844177.db2.gz YUAXQWVHQXUBGM-UHFFFAOYSA-N -1 0 367.766 2.686 20 30 FFEDRM COCc1cc(NC(=O)Nc2cc(C)n(CCC#N)n2)cc(C(=O)[O-])c1 ZINC001599288681 997025872 /nfs/dbraw/zinc/02/58/72/997025872.db2.gz MMLUPKMJQOLLFJ-UHFFFAOYSA-N -1 0 357.370 2.594 20 30 FFEDRM COc1cc(CNC(=O)c2cccc(SCC#N)c2)ccc1C(=O)[O-] ZINC001599414213 997476259 /nfs/dbraw/zinc/47/62/59/997476259.db2.gz JYLVOANWRWWRSX-UHFFFAOYSA-N -1 0 356.403 2.939 20 30 FFEDRM COc1cc(C#N)ccc1OCCOC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599350232 998079567 /nfs/dbraw/zinc/07/95/67/998079567.db2.gz GUHVWKGNGCNQBN-UHFFFAOYSA-N -1 0 355.346 2.809 20 30 FFEDRM COc1ccc(-c2cncc(C(=O)N(CC#N)CCC(=O)[O-])c2)c(C)c1 ZINC001599469307 998421720 /nfs/dbraw/zinc/42/17/20/998421720.db2.gz RNEFFZQXPPOWDI-UHFFFAOYSA-N -1 0 353.378 2.506 20 30 FFEDRM CCn1cc(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)c2ccccc21 ZINC000734291006 999264365 /nfs/dbraw/zinc/26/43/65/999264365.db2.gz DERXQUGZXSSWND-UHFFFAOYSA-N -1 0 367.430 2.960 20 30 FFEDRM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2C#N)c(OCC(=O)[O-])c1 ZINC000734365868 999273894 /nfs/dbraw/zinc/27/38/94/999273894.db2.gz WDFZTQFQWUGGBD-UHFFFAOYSA-N -1 0 372.381 2.762 20 30 FFEDRM COc1ccc(CN2CC[C@H](/N=C\c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000734366315 999274503 /nfs/dbraw/zinc/27/45/03/999274503.db2.gz MVXJFYOAJMRQBN-BCUAHEQISA-N -1 0 369.377 2.529 20 30 FFEDRM C#CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC000737493756 999601651 /nfs/dbraw/zinc/60/16/51/999601651.db2.gz LUCCMFDLGMYUAY-SFHVURJKSA-N -1 0 353.374 2.653 20 30 FFEDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC001594431933 999607339 /nfs/dbraw/zinc/60/73/39/999607339.db2.gz HIOKUIPJLZBNNB-XPKDYRNWSA-N -1 0 362.451 2.846 20 30 FFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000737952520 999612880 /nfs/dbraw/zinc/61/28/80/999612880.db2.gz LGNKCOVLKXHJEJ-KRWDZBQOSA-N -1 0 370.430 2.991 20 30 FFEDRM 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C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1c2ccccc2[nH]c1C(F)(F)F ZINC001588558461 1080095781 /nfs/dbraw/zinc/09/57/81/1080095781.db2.gz WFXUXTXMMUNIRS-MRXNPFEDSA-N -1 0 367.327 2.850 20 30 FFEDRM C=C(C)CONC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588573189 1080104266 /nfs/dbraw/zinc/10/42/66/1080104266.db2.gz BBMJAKDWSMLRQT-UHFFFAOYSA-N -1 0 357.410 2.744 20 30 FFEDRM C=C(C)Cn1c(-c2c3c[nH]nc3ccc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588576923 1080105062 /nfs/dbraw/zinc/10/50/62/1080105062.db2.gz GUBJHOCNHVFALC-ZDUSSCGKSA-N -1 0 366.425 2.617 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001588577394 1080105150 /nfs/dbraw/zinc/10/51/50/1080105150.db2.gz VBZDXSLNMYPHEE-OLZOCXBDSA-N -1 0 362.455 2.569 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(=O)[nH]c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588578687 1080105995 /nfs/dbraw/zinc/10/59/95/1080105995.db2.gz NFNHCSYNEUOKIY-AWEZNQCLSA-N -1 0 371.441 2.703 20 30 FFEDRM C=CCC[C@@H](CO)Nc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC001588578609 1080106259 /nfs/dbraw/zinc/10/62/59/1080106259.db2.gz CAXUSADYPAXTCF-ZDUSSCGKSA-N -1 0 363.425 2.715 20 30 FFEDRM C=C(C)Cn1c(-c2ccsc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001588578300 1080106405 /nfs/dbraw/zinc/10/64/05/1080106405.db2.gz BVRLHXFJVVUXSR-KBXCAEBGSA-N -1 0 374.466 2.510 20 30 FFEDRM C=C(C)Cn1c(-c2coc(C#N)c2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588578328 1080106450 /nfs/dbraw/zinc/10/64/50/1080106450.db2.gz DCUWOESSNSQEKJ-SGTLLEGYSA-N -1 0 355.398 2.533 20 30 FFEDRM C=CCCCC(=O)N(C)[C@H](C)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588581813 1080107687 /nfs/dbraw/zinc/10/76/87/1080107687.db2.gz BANDHPYUTMLJTK-SECBINFHSA-N -1 0 369.882 2.592 20 30 FFEDRM C=C(C)Cn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591258 1080114485 /nfs/dbraw/zinc/11/44/85/1080114485.db2.gz HBBXGYNONANWQF-HNAYVOBHSA-N -1 0 372.473 2.869 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588592416 1080115781 /nfs/dbraw/zinc/11/57/81/1080115781.db2.gz XVPGUVLPNAFUSS-SOUVJXGZSA-N -1 0 357.458 2.808 20 30 FFEDRM C=C(C)Cn1c(CCOCC)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588598329 1080118288 /nfs/dbraw/zinc/11/82/88/1080118288.db2.gz YYNTWVCRGZESAK-UHFFFAOYSA-N -1 0 370.453 2.694 20 30 FFEDRM C=C(C)Cn1c(CN2CCCC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588598276 1080118547 /nfs/dbraw/zinc/11/85/47/1080118547.db2.gz XIVUTEANJQOZHG-UHFFFAOYSA-N -1 0 373.457 2.686 20 30 FFEDRM C=C(C)Cn1c(N2CCc3ccc(C(=O)[O-])cc3C2)nnc1[C@@](C)(O)CC ZINC001588598686 1080119183 /nfs/dbraw/zinc/11/91/83/1080119183.db2.gz KXIGELJRMPPLIH-FQEVSTJZSA-N -1 0 370.453 2.733 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588607061 1080121990 /nfs/dbraw/zinc/12/19/90/1080121990.db2.gz QRYFNAHYYJDPMX-UHFFFAOYSA-N -1 0 354.447 2.513 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC001588622915 1080125410 /nfs/dbraw/zinc/12/54/10/1080125410.db2.gz GKACZGPGQVPLPH-ZDUSSCGKSA-N -1 0 367.243 2.565 20 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ZINC001588762038 1080183855 /nfs/dbraw/zinc/18/38/55/1080183855.db2.gz FUTZUKBZCFZTPH-OAHLLOKOSA-N -1 0 374.466 2.534 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588771301 1080188590 /nfs/dbraw/zinc/18/85/90/1080188590.db2.gz ROYCZRCPVOEWKB-QMTHXVAHSA-N -1 0 366.364 2.853 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588771682 1080188593 /nfs/dbraw/zinc/18/85/93/1080188593.db2.gz XRIYPIRHIWISQB-CMPLNLGQSA-N -1 0 366.364 2.853 20 30 FFEDRM C=CCCC(C)(C)CNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588777020 1080190974 /nfs/dbraw/zinc/19/09/74/1080190974.db2.gz RLLKKUFUIIUMJC-IBGZPJMESA-N -1 0 352.475 2.770 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cc3cnccc3o2)o1 ZINC001588781238 1080193299 /nfs/dbraw/zinc/19/32/99/1080193299.db2.gz OBZAXLFVQSBLKK-UHFFFAOYSA-N -1 0 352.358 2.955 20 30 FFEDRM C=CCCC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588789877 1080197688 /nfs/dbraw/zinc/19/76/88/1080197688.db2.gz LTSSMNHVCYXIEC-JKSUJKDBSA-N -1 0 366.845 2.833 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001588793800 1080198924 /nfs/dbraw/zinc/19/89/24/1080198924.db2.gz BOKZHXGNWGVTFF-LPMFXHHGSA-N -1 0 366.458 2.702 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC001588798665 1080201907 /nfs/dbraw/zinc/20/19/07/1080201907.db2.gz NHZQIIPHRUKUSV-NSHDSACASA-N -1 0 369.336 2.932 20 30 FFEDRM C=CCCc1ccccc1NC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001588814831 1080206383 /nfs/dbraw/zinc/20/63/83/1080206383.db2.gz TUHSHIXBSWJFSU-INIZCTEOSA-N -1 0 361.442 2.542 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588828987 1080209861 /nfs/dbraw/zinc/20/98/61/1080209861.db2.gz WYVUEUUICUKVCL-MRXNPFEDSA-N -1 0 368.437 2.857 20 30 FFEDRM C=CCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001588826592 1080209926 /nfs/dbraw/zinc/20/99/26/1080209926.db2.gz LTDRWXZVAGEKFY-UHFFFAOYSA-N -1 0 370.192 2.558 20 30 FFEDRM CC(C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001588830189 1080210673 /nfs/dbraw/zinc/21/06/73/1080210673.db2.gz PUSFJLBTPWPNQO-HNNXBMFYSA-N -1 0 354.410 2.550 20 30 FFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588831807 1080211658 /nfs/dbraw/zinc/21/16/58/1080211658.db2.gz QRCLAUNVJKOHOR-UHFFFAOYSA-N -1 0 362.432 2.695 20 30 FFEDRM C=CCN1CC[C@H](N(C)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1=O ZINC001588838439 1080214469 /nfs/dbraw/zinc/21/44/69/1080214469.db2.gz FCSVUQFQVNIHNI-INIZCTEOSA-N -1 0 371.462 2.727 20 30 FFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)C1 ZINC001588849893 1080216940 /nfs/dbraw/zinc/21/69/40/1080216940.db2.gz OCWAIWXHQHOEPE-CYBMUJFWSA-N -1 0 371.393 2.507 20 30 FFEDRM C=CCNc1ncc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])s1 ZINC001588849481 1080217060 /nfs/dbraw/zinc/21/70/60/1080217060.db2.gz TVVCQNUTROQUBE-CYBMUJFWSA-N -1 0 371.418 2.913 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001588877502 1080227626 /nfs/dbraw/zinc/22/76/26/1080227626.db2.gz URSLGNIXRSOSQA-UHFFFAOYSA-N -1 0 374.418 2.574 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)CCn1cc(Cl)cn1 ZINC001588882366 1080231292 /nfs/dbraw/zinc/23/12/92/1080231292.db2.gz PBMJQEQPIPHTKJ-UHFFFAOYSA-N -1 0 364.785 2.968 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccn2nccc12 ZINC001588885004 1080232373 /nfs/dbraw/zinc/23/23/73/1080232373.db2.gz JCUOSNMBVHCFEB-UHFFFAOYSA-N -1 0 352.346 2.989 20 30 FFEDRM C=CCc1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC001588886175 1080233839 /nfs/dbraw/zinc/23/38/39/1080233839.db2.gz COKXQKOMCXDKKL-UHFFFAOYSA-N -1 0 354.424 2.777 20 30 FFEDRM C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588886980 1080234231 /nfs/dbraw/zinc/23/42/31/1080234231.db2.gz WFHSEYBSEVPWMI-CQSZACIVSA-N -1 0 363.421 2.899 20 30 FFEDRM C=CCn1c(-c2ccc3n[nH]cc3c2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588888711 1080236860 /nfs/dbraw/zinc/23/68/60/1080236860.db2.gz ATSCYBYSNIVPLO-LJQANCHMSA-N -1 0 366.425 2.699 20 30 FFEDRM C=CCn1c(-c2nnc(C(C)(C)C)o2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588892010 1080238785 /nfs/dbraw/zinc/23/87/85/1080238785.db2.gz ZPGHDHFFXSOYID-GOSISDBHSA-N -1 0 374.445 2.503 20 30 FFEDRM C=CCn1c([C@H](O)C2CCCC2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588895231 1080243861 /nfs/dbraw/zinc/24/38/61/1080243861.db2.gz AOFBEKVTIZHKPU-RHSMWYFYSA-N -1 0 362.474 2.769 20 30 FFEDRM C=CCn1c(C[C@H](C)SCC)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588896961 1080246305 /nfs/dbraw/zinc/24/63/05/1080246305.db2.gz GQPZYNBQLITHPA-AEGPPILISA-N -1 0 364.515 2.695 20 30 FFEDRM C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588896812 1080246459 /nfs/dbraw/zinc/24/64/59/1080246459.db2.gz MHKYYCGQOJGRDX-XQQFMLRXSA-N -1 0 354.401 2.914 20 30 FFEDRM C=CCn1c(C2CCC(OC(C)C)CC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588897578 1080247315 /nfs/dbraw/zinc/24/73/15/1080247315.db2.gz ROWHNXLYJFKWLK-HWOWSKLDSA-N -1 0 362.474 2.826 20 30 FFEDRM C=CCn1c(N2CCc3cccc(C(=O)[O-])c3C2)nnc1C(C)(C)C#N ZINC001588905043 1080254577 /nfs/dbraw/zinc/25/45/77/1080254577.db2.gz NQJVWQKNDOOTHN-UHFFFAOYSA-N -1 0 351.410 2.526 20 30 FFEDRM C=CCn1c(N2CCc3ccc(C(=O)[O-])cc3C2)nnc1C(C)(C)CC#N ZINC001588905543 1080255250 /nfs/dbraw/zinc/25/52/50/1080255250.db2.gz XXRGXMAEGVRHDJ-UHFFFAOYSA-N -1 0 365.437 2.916 20 30 FFEDRM C=CCn1c([C@@H]2C[C@H]2Cc2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588910182 1080258688 /nfs/dbraw/zinc/25/86/88/1080258688.db2.gz NWNZUESZRMRBFZ-BRWVUGGUSA-N -1 0 352.438 2.721 20 30 FFEDRM C=CCn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588910344 1080258771 /nfs/dbraw/zinc/25/87/71/1080258771.db2.gz RWBCADYEQGNADL-ZJIFWQFVSA-N -1 0 367.453 2.677 20 30 FFEDRM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589088218 1080344674 /nfs/dbraw/zinc/34/46/74/1080344674.db2.gz LBPPRGSAYRJHKP-UHOFOFEASA-N -1 0 358.438 2.967 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccnc(Cl)c2F)o1 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Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438762175 514437598 /nfs/dbraw/zinc/43/75/98/514437598.db2.gz AUWRMZTUTVQYRC-UHFFFAOYSA-N -1 0 362.382 2.941 20 30 FFEDRM N#Cc1cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)ccc1F ZINC000438769248 514438547 /nfs/dbraw/zinc/43/85/47/514438547.db2.gz WNLOQEFSOBKTLR-UHFFFAOYSA-N -1 0 367.745 2.586 20 30 FFEDRM CC#CCNC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000433511139 514506582 /nfs/dbraw/zinc/50/65/82/514506582.db2.gz JIRSKIRDLVCNBF-UHFFFAOYSA-N -1 0 351.229 2.534 20 30 FFEDRM CC(C)[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000470574939 514534181 /nfs/dbraw/zinc/53/41/81/514534181.db2.gz RSMATZCBNAMOPL-CQSZACIVSA-N -1 0 363.464 2.827 20 30 FFEDRM Cc1nc(-c2ccccn2)sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000475064749 514543919 /nfs/dbraw/zinc/54/39/19/514543919.db2.gz MIPUUGGLQODLCW-UHFFFAOYSA-N -1 0 352.423 2.837 20 30 FFEDRM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479516887 514614353 /nfs/dbraw/zinc/61/43/53/514614353.db2.gz 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FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001573360501 1077681900 /nfs/dbraw/zinc/68/19/00/1077681900.db2.gz QQYKQLRLXPGFQN-QGZVFWFLSA-N -1 0 371.437 2.876 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001573358469 1077681962 /nfs/dbraw/zinc/68/19/62/1077681962.db2.gz ZXVURKMXPDTCLS-UONOGXRCSA-N -1 0 352.431 2.526 20 30 FFEDRM C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573366947 1077684180 /nfs/dbraw/zinc/68/41/80/1077684180.db2.gz QFZKLCBYFTUMGW-OAHLLOKOSA-N -1 0 363.462 2.676 20 30 FFEDRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CC1 ZINC001573376717 1077686652 /nfs/dbraw/zinc/68/66/52/1077686652.db2.gz YTZODDCLPGTSQM-LBPRGKRZSA-N -1 0 354.362 2.808 20 30 FFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001573377806 1077687178 /nfs/dbraw/zinc/68/71/78/1077687178.db2.gz AFEIPYHKCVGNSY-UHFFFAOYSA-N -1 0 369.299 2.954 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C#N 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2.611 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC001588407471 1080011977 /nfs/dbraw/zinc/01/19/77/1080011977.db2.gz OQOURDRHSDCFFN-UHFFFAOYSA-N -1 0 351.402 2.663 20 30 FFEDRM C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001588434278 1080026332 /nfs/dbraw/zinc/02/63/32/1080026332.db2.gz ISRMLMUJQJBCRD-CQSZACIVSA-N -1 0 357.431 2.962 20 30 FFEDRM C#Cc1cccc(N(CC)C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC001588439427 1080028208 /nfs/dbraw/zinc/02/82/08/1080028208.db2.gz VGEPBVZVSPKDBP-LJQANCHMSA-N -1 0 361.401 2.740 20 30 FFEDRM C#CCCOc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001588458598 1080034140 /nfs/dbraw/zinc/03/41/40/1080034140.db2.gz PWAFTRRRAPXBID-CYBMUJFWSA-N -1 0 370.430 2.987 20 30 FFEDRM C#CCN(CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001588465849 1080037195 /nfs/dbraw/zinc/03/71/95/1080037195.db2.gz KNRQXKXJJYZVSL-ZDUSSCGKSA-N -1 0 360.410 2.684 20 30 FFEDRM C=CCO[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001588465136 1080037277 /nfs/dbraw/zinc/03/72/77/1080037277.db2.gz KVRNCMFSCUKXEQ-LLVKDONJSA-N -1 0 369.215 2.956 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001588478353 1080044267 /nfs/dbraw/zinc/04/42/67/1080044267.db2.gz IBCCAGDQJQNNGT-PWSUYJOCSA-N -1 0 355.188 2.612 20 30 FFEDRM C#CCOc1ccc(NC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588498080 1080060238 /nfs/dbraw/zinc/06/02/38/1080060238.db2.gz UUTZNAFCEKUPJI-UHFFFAOYSA-N -1 0 368.389 2.826 20 30 FFEDRM C#CCOc1ccc(F)cc1NC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001588497892 1080060428 /nfs/dbraw/zinc/06/04/28/1080060428.db2.gz IZGADFLZWFUYRA-UHFFFAOYSA-N -1 0 361.329 2.581 20 30 FFEDRM C#CCOc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588504966 1080061580 /nfs/dbraw/zinc/06/15/80/1080061580.db2.gz PWUIWMSDLQKYEB-UHFFFAOYSA-N -1 0 364.350 2.612 20 30 FFEDRM C#Cc1cccc(N(CC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c1 ZINC001588522221 1080075682 /nfs/dbraw/zinc/07/56/82/1080075682.db2.gz JPQFWRNVBGRSRS-MRXNPFEDSA-N -1 0 374.437 2.779 20 30 FFEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)Cn2ccc(C(=O)[O-])n2)c1 ZINC001588523510 1080076292 /nfs/dbraw/zinc/07/62/92/1080076292.db2.gz MSNCLDGCJRPBCN-UHFFFAOYSA-N -1 0 359.385 2.796 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC001588538853 1080086991 /nfs/dbraw/zinc/08/69/91/1080086991.db2.gz OPCXKZHWLOFTBH-HZMBPMFUSA-N -1 0 369.240 2.717 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC001588541649 1080087311 /nfs/dbraw/zinc/08/73/11/1080087311.db2.gz JAJLSKAQLLYWFG-AWEZNQCLSA-N -1 0 352.188 2.665 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)[O-] ZINC001588546675 1080089420 /nfs/dbraw/zinc/08/94/20/1080089420.db2.gz PITWFKGBQHGHNM-KRWDZBQOSA-N -1 0 350.374 2.831 20 30 FFEDRM C=C(C)C[C@H](NC(=O)Cc1sc(CC(F)(F)F)nc1C)C(=O)[O-] ZINC001588543756 1080089509 /nfs/dbraw/zinc/08/95/09/1080089509.db2.gz NIGITFXIOZQANG-VIFPVBQESA-N -1 0 350.362 2.634 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)C(=O)[O-] ZINC001588555569 1080092960 /nfs/dbraw/zinc/09/29/60/1080092960.db2.gz MJCYMQKRPWURFR-CQSZACIVSA-N -1 0 355.456 2.825 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001588557202 1080094198 /nfs/dbraw/zinc/09/41/98/1080094198.db2.gz GOGLMYSREPJVNV-QAPCUYQASA-N -1 0 364.829 2.928 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cc(Cl)cc(Br)c1 ZINC001588558511 1080097064 /nfs/dbraw/zinc/09/70/64/1080097064.db2.gz XNBIHAONYQYJAV-CQSZACIVSA-N -1 0 373.634 2.766 20 30 FFEDRM C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588563517 1080099579 /nfs/dbraw/zinc/09/95/79/1080099579.db2.gz YTRXTWNFEJFADR-UHFFFAOYSA-N -1 0 358.316 2.767 20 30 FFEDRM C=CCCC(=O)N[C@H](C)CCCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588570730 1080102608 /nfs/dbraw/zinc/10/26/08/1080102608.db2.gz CLYGTJXMDUUUCT-SECBINFHSA-N -1 0 369.882 2.640 20 30 FFEDRM C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588578734 1080106135 /nfs/dbraw/zinc/10/61/35/1080106135.db2.gz OXMBYHSQOKHMCS-DJJJIMSYSA-N -1 0 374.416 2.578 20 30 FFEDRM C=CCCC1(CNC(=O)NCc2ccc(-c3nn[nH]n3)cn2)CCCC1 ZINC001588578780 1080106630 /nfs/dbraw/zinc/10/66/30/1080106630.db2.gz FLSVRRCJDCKIAR-UHFFFAOYSA-N -1 0 355.446 2.588 20 30 FFEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001588581881 1080107564 /nfs/dbraw/zinc/10/75/64/1080107564.db2.gz CCJWATRMFLQSHC-NSHDSACASA-N -1 0 367.862 2.639 20 30 FFEDRM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588585970 1080110231 /nfs/dbraw/zinc/11/02/31/1080110231.db2.gz AKIBUZNBEZCZRO-DTWKUNHWSA-N -1 0 369.882 2.638 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)C(C)C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588589306 1080113679 /nfs/dbraw/zinc/11/36/79/1080113679.db2.gz MAYMRBQQUGUUOR-INIZCTEOSA-N -1 0 350.463 2.625 20 30 FFEDRM C=C(C)Cn1c(Cc2ccnc(C)c2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588598635 1080119445 /nfs/dbraw/zinc/11/94/45/1080119445.db2.gz JLNDXIDMIGVQND-HXUWFJFHSA-N -1 0 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ZINC001588714215 1080166390 /nfs/dbraw/zinc/16/63/90/1080166390.db2.gz CEKZBASZFJXNMN-UHFFFAOYSA-N -1 0 354.447 2.511 20 30 FFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001588744515 1080178804 /nfs/dbraw/zinc/17/88/04/1080178804.db2.gz NUJHIONRHUWOOE-ZDUSSCGKSA-N -1 0 351.449 2.912 20 30 FFEDRM C=CC[C@@H](OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588751285 1080180936 /nfs/dbraw/zinc/18/09/36/1080180936.db2.gz KOYZKZFFGWVYAQ-LDYMZIIASA-N -1 0 360.193 2.684 20 30 FFEDRM C=CC[C@@H](OC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C(=O)[O-] ZINC001588755614 1080180968 /nfs/dbraw/zinc/18/09/68/1080180968.db2.gz BKAHHXNKJCZXCE-SNVBAGLBSA-N -1 0 356.256 2.942 20 30 FFEDRM C=CC[C@]1(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC001588762046 1080184118 /nfs/dbraw/zinc/18/41/18/1080184118.db2.gz FXLXOIBYNKFQMG-PJIJBLCYSA-N -1 0 366.458 2.654 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588771683 1080187842 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CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000124984609 728676834 /nfs/dbraw/zinc/67/68/34/728676834.db2.gz LAEUBMLNYZNYAX-OAHLLOKOSA-N -1 0 364.448 2.528 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000125063522 728678074 /nfs/dbraw/zinc/67/80/74/728678074.db2.gz WHPHLTJEAGJWPX-GFCCVEGCSA-N -1 0 360.357 2.774 20 30 FFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000127814402 728707380 /nfs/dbraw/zinc/70/73/80/728707380.db2.gz HCMZNGKCLQXOCZ-ZIAGYGMSSA-N -1 0 355.419 2.633 20 30 FFEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OC ZINC000129195583 728710562 /nfs/dbraw/zinc/71/05/62/728710562.db2.gz HDDHLXIIGMOAFK-GFCCVEGCSA-N -1 0 350.802 2.738 20 30 FFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000131999255 728723462 /nfs/dbraw/zinc/72/34/62/728723462.db2.gz JZDOTKMASPPXFI-LLVKDONJSA-N -1 0 372.837 2.882 20 30 FFEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000151894839 728747167 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CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000192984487 729464713 /nfs/dbraw/zinc/46/47/13/729464713.db2.gz HMNCFZXKEZQKRW-UHFFFAOYSA-N -1 0 364.810 2.731 20 30 FFEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000194596244 729515067 /nfs/dbraw/zinc/51/50/67/729515067.db2.gz FJOVOJHUUZVQPE-UHFFFAOYSA-N -1 0 358.419 2.605 20 30 FFEDRM C/C(=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000195497062 729540074 /nfs/dbraw/zinc/54/00/74/729540074.db2.gz FNUGRNRTNMZMFK-UKTHLTGXSA-N -1 0 358.394 2.747 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)N1CC[C@@H](C2(C(=O)[O-])CC2)c2ccccc21 ZINC000905999640 736434904 /nfs/dbraw/zinc/43/49/04/736434904.db2.gz MHRBOSYCCWKFNS-CQSZACIVSA-N -1 0 362.451 2.725 20 30 FFEDRM Cc1csc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1C#N ZINC000906071517 736452158 /nfs/dbraw/zinc/45/21/58/736452158.db2.gz CIJMOCIDQCPFLU-UHFFFAOYSA-N -1 0 373.459 2.564 20 30 FFEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000255514774 729641972 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FFEDRM CCCCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861015857 730567619 /nfs/dbraw/zinc/56/76/19/730567619.db2.gz OVKPPJGJWKKZRC-ZDUSSCGKSA-N -1 0 370.446 2.629 20 30 FFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2CCC(C3CC3)CC2)c(F)c1 ZINC000861015116 730567730 /nfs/dbraw/zinc/56/77/30/730567730.db2.gz CSGTTZRIIICVBM-UHFFFAOYSA-N -1 0 364.442 2.860 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000779848052 738489981 /nfs/dbraw/zinc/48/99/81/738489981.db2.gz JRSYWSHHDREFDA-JTQLQIEISA-N -1 0 359.363 2.625 20 30 FFEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cs1 ZINC000647378621 730739690 /nfs/dbraw/zinc/73/96/90/730739690.db2.gz MBSKYXISLRPPKU-SNVBAGLBSA-N -1 0 352.462 2.976 20 30 FFEDRM CN(C)c1cc(F)c(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1F ZINC000863068537 730749146 /nfs/dbraw/zinc/74/91/46/730749146.db2.gz GVUNKGOWRRTTTG-UHFFFAOYSA-N -1 0 351.304 2.812 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)C(=O)[O-] ZINC000864185079 730829129 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C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592834655 979578333 /nfs/dbraw/zinc/57/83/33/979578333.db2.gz UDJAQFKVYQKYPF-WFASDCNBSA-N -1 0 369.446 2.908 20 30 FFEDRM CC[C@](CNC(=O)Nc1cccc(CC#N)n1)(C(=O)[O-])c1ccccc1 ZINC001595153223 979651025 /nfs/dbraw/zinc/65/10/25/979651025.db2.gz APYZOIXLIJERAZ-LJQANCHMSA-N -1 0 352.394 2.702 20 30 FFEDRM COCC[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000841641763 980552107 /nfs/dbraw/zinc/55/21/07/980552107.db2.gz VIIKVOQUAHZLGK-GFCCVEGCSA-N -1 0 369.393 2.851 20 30 FFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666563444 980975020 /nfs/dbraw/zinc/97/50/20/980975020.db2.gz DUWIQWMXHWSURJ-UHFFFAOYSA-N -1 0 358.394 2.758 20 30 FFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001595532969 981373925 /nfs/dbraw/zinc/37/39/25/981373925.db2.gz QJIXANUIBKWLSQ-YFHOEESVSA-N -1 0 350.440 2.925 20 30 FFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000908805514 981540021 /nfs/dbraw/zinc/54/00/21/981540021.db2.gz SYDKJFSUHCYNAC-UHFFFAOYSA-N -1 0 358.394 2.779 20 30 FFEDRM C#CCC1(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2)CCCCC1 ZINC000909743803 981702373 /nfs/dbraw/zinc/70/23/73/981702373.db2.gz JFDSDRLVDCGNHP-AWEZNQCLSA-N -1 0 356.422 2.802 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nnn(-c2ccccc2)c1C(F)F)C(=O)[O-] ZINC000910926916 982167378 /nfs/dbraw/zinc/16/73/78/982167378.db2.gz VXDHANILYNYHBK-GFCCVEGCSA-N -1 0 364.352 2.744 20 30 FFEDRM CC[C@H](C)C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001594940173 982612700 /nfs/dbraw/zinc/61/27/00/982612700.db2.gz YGIAPNCSKUDHSA-NOLJZWGESA-N -1 0 361.417 2.529 20 30 FFEDRM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(F)cc(Br)cc1F ZINC001212111301 982762740 /nfs/dbraw/zinc/76/27/40/982762740.db2.gz WTFKNBWTYNQKFM-UHFFFAOYSA-N -1 0 367.215 2.945 20 30 FFEDRM CCN(CC)C(=O)c1ccc(CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001596251863 983656790 /nfs/dbraw/zinc/65/67/90/983656790.db2.gz PQXIYGDLFVNCAI-UHFFFAOYSA-N -1 0 352.394 2.746 20 30 FFEDRM CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001596299560 983724740 /nfs/dbraw/zinc/72/47/40/983724740.db2.gz OXPIKHWZNDGZLS-UHFFFAOYSA-N -1 0 352.778 2.764 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588786048 984183049 /nfs/dbraw/zinc/18/30/49/984183049.db2.gz MATSFOXFQACDOJ-KBPBESRZSA-N -1 0 356.463 2.948 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588787065 984185450 /nfs/dbraw/zinc/18/54/50/984185450.db2.gz UAMOMYAXZCTCFJ-KBPBESRZSA-N -1 0 359.344 2.535 20 30 FFEDRM COC(=O)Nc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000913307171 984236892 /nfs/dbraw/zinc/23/68/92/984236892.db2.gz CHVWXDGPKLZQRT-ZDUSSCGKSA-N -1 0 373.390 2.663 20 30 FFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1NC(=O)c1ccccc1 ZINC000129516869 984252858 /nfs/dbraw/zinc/25/28/58/984252858.db2.gz XIMIOKIQRDLKAM-KRWDZBQOSA-N -1 0 361.401 2.848 20 30 FFEDRM CCCn1c2ccc(S(=O)(=O)[N-]C(=O)c3cccc(C)c3)cc2[nH]c1=O ZINC000045100493 984396171 /nfs/dbraw/zinc/39/61/71/984396171.db2.gz MPFHXUXGVIYDOG-UHFFFAOYSA-N -1 0 373.434 2.742 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2csc(C(C)C)n2)cc1 ZINC000171146369 985226029 /nfs/dbraw/zinc/22/60/29/985226029.db2.gz URJHMSIYPKKUIQ-OAHLLOKOSA-N -1 0 371.462 2.956 20 30 FFEDRM CC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000171565617 985312721 /nfs/dbraw/zinc/31/27/21/985312721.db2.gz YRCOVAVZXOWIBE-GDBMZVCRSA-N -1 0 351.406 2.626 20 30 FFEDRM CC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000171565620 985314190 /nfs/dbraw/zinc/31/41/90/985314190.db2.gz YRCOVAVZXOWIBE-HOCLYGCPSA-N -1 0 351.406 2.626 20 30 FFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001596907996 985900862 /nfs/dbraw/zinc/90/08/62/985900862.db2.gz HZTVOAHARLRGAK-YHRBYZFPSA-N -1 0 350.459 2.682 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173997924 986031541 /nfs/dbraw/zinc/03/15/41/986031541.db2.gz PELPAGCNMKUNKM-MRXNPFEDSA-N -1 0 364.405 2.995 20 30 FFEDRM Cc1c2ccccc2sc1C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O ZINC001599975014 986075956 /nfs/dbraw/zinc/07/59/56/986075956.db2.gz OVGCHTZOVAQUMA-UHFFFAOYSA-N -1 0 352.371 2.824 20 30 FFEDRM CCOc1cc(C(=O)[C@H](C#N)c2cccc(F)n2)ccc1OCC(=O)[O-] ZINC001596993776 986288464 /nfs/dbraw/zinc/28/84/64/986288464.db2.gz YDZCXCRTMQQKPS-GFCCVEGCSA-N -1 0 358.325 2.573 20 30 FFEDRM C[C@H]1c2sccc2CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594674610 986998066 /nfs/dbraw/zinc/99/80/66/986998066.db2.gz UBIVQXFGVRCEBB-JTQLQIEISA-N -1 0 362.432 2.626 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001594724744 987222840 /nfs/dbraw/zinc/22/28/40/987222840.db2.gz CEWXNYCACUZEHF-RYQLBKOJSA-N -1 0 371.437 2.620 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc([C@H]3CCOC3)c2)n1 ZINC000761544672 987299198 /nfs/dbraw/zinc/29/91/98/987299198.db2.gz JBAUOEHQCSHYTE-JKSUJKDBSA-N -1 0 370.430 2.989 20 30 FFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001597424897 987749363 /nfs/dbraw/zinc/74/93/63/987749363.db2.gz ZHVYTOBMKLTADW-UXBLZVDNSA-N -1 0 357.387 2.986 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)Oc2ccccc2C#N)n1 ZINC000914679614 987854572 /nfs/dbraw/zinc/85/45/72/987854572.db2.gz GAUIIIBONNDJLC-TZMCWYRMSA-N -1 0 369.402 2.510 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(C(C)C)n2)cc1 ZINC000762069336 988098576 /nfs/dbraw/zinc/09/85/76/988098576.db2.gz QBORDKFJJXOSBJ-KRWDZBQOSA-N -1 0 365.433 2.895 20 30 FFEDRM COc1ccc(-n2c(C)cc(C([O-])=C(C#N)C(=O)NC3CC3)c2C)cc1 ZINC000193463201 988414398 /nfs/dbraw/zinc/41/43/98/988414398.db2.gz DSJTXJXKJCDSFM-SFHVURJKSA-N -1 0 351.406 2.704 20 30 FFEDRM CCc1cccc(F)c1[C@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)c1ccco1 ZINC001597593796 988431269 /nfs/dbraw/zinc/43/12/69/988431269.db2.gz YFIAMLVJMSBIOE-CQSZACIVSA-N -1 0 374.393 2.722 20 30 FFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1 ZINC000762745393 988612619 /nfs/dbraw/zinc/61/26/19/988612619.db2.gz BARLFFYCQJLFAM-UHFFFAOYSA-N -1 0 374.462 2.745 20 30 FFEDRM CCc1nnc(NCCc2ccc(C(=O)[O-])cc2OC)c(C#N)c1CC ZINC001597734788 989071707 /nfs/dbraw/zinc/07/17/07/989071707.db2.gz HIEAQEVFLCRVST-UHFFFAOYSA-N -1 0 354.410 2.834 20 30 FFEDRM CCn1c(N(C)Cc2ccc(C(=O)[O-])cc2)nnc1C1(C#N)CCCC1 ZINC001597859076 989624270 /nfs/dbraw/zinc/62/42/70/989624270.db2.gz NDQXGQVUNZGNOY-UHFFFAOYSA-N -1 0 353.426 2.968 20 30 FFEDRM COc1cc(C=NNc2nnc(-c3ccccc3)n2C)cc([N+](=O)[O-])c1[O-] ZINC000915969402 989717492 /nfs/dbraw/zinc/71/74/92/989717492.db2.gz RUGMRKMPOWCMBS-UHFFFAOYSA-N -1 0 368.353 2.551 20 30 FFEDRM Cc1ccnn1-c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916893492 990012852 /nfs/dbraw/zinc/01/28/52/990012852.db2.gz AILQKNGGPJJLBX-SFHVURJKSA-N -1 0 350.422 2.952 20 30 FFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000916931139 990034628 /nfs/dbraw/zinc/03/46/28/990034628.db2.gz NSLYOBSFSVJEKE-QGZVFWFLSA-N -1 0 365.364 2.679 20 30 FFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccc1OCc1cscn1 ZINC000916947292 990057912 /nfs/dbraw/zinc/05/79/12/990057912.db2.gz ZTHBUMFQOWMUFP-AWEZNQCLSA-N -1 0 373.434 2.578 20 30 FFEDRM CC(C)(C)c1csc(NC(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1C#N ZINC001590536531 990148531 /nfs/dbraw/zinc/14/85/31/990148531.db2.gz DLCUFOZVNUKIHX-ZYHUDNBSSA-N -1 0 365.455 2.776 20 30 FFEDRM CC(C)(CC#N)CNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001590615012 990285680 /nfs/dbraw/zinc/28/56/80/990285680.db2.gz FHEHSNYFMNCVOP-UHFFFAOYSA-N -1 0 364.471 2.745 20 30 FFEDRM CC(C)(CC#N)CS(=O)(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001590616547 990292960 /nfs/dbraw/zinc/29/29/60/990292960.db2.gz GZKYBIFEXYICLI-UHFFFAOYSA-N -1 0 366.464 2.959 20 30 FFEDRM CC(C)(CC#N)CS(=O)(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001590617052 990295353 /nfs/dbraw/zinc/29/53/53/990295353.db2.gz XOHSNTINBCWXPS-MRXNPFEDSA-N -1 0 372.874 2.585 20 30 FFEDRM CN([C@@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001598103879 990477969 /nfs/dbraw/zinc/47/79/69/990477969.db2.gz XYTZDQDXNNPJNK-QGZVFWFLSA-N -1 0 372.446 2.934 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)cc3nccnc32)n1 ZINC000919593094 990685469 /nfs/dbraw/zinc/68/54/69/990685469.db2.gz MIMQPUSHHYEJAE-LBPRGKRZSA-N -1 0 370.365 2.567 20 30 FFEDRM CC(C)(NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001590875404 990788081 /nfs/dbraw/zinc/78/80/81/990788081.db2.gz YUNUVXDELCRCDW-UHFFFAOYSA-N -1 0 358.419 2.611 20 30 FFEDRM CC(C)(NS(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccc(C#N)c1 ZINC001590879004 990789301 /nfs/dbraw/zinc/78/93/01/990789301.db2.gz DVENZGVLYRVXQS-UHFFFAOYSA-N -1 0 350.421 2.532 20 30 FFEDRM CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001590960940 991055414 /nfs/dbraw/zinc/05/54/14/991055414.db2.gz KSINTGFKSVWCSX-QUCCMNQESA-N -1 0 353.422 2.610 20 30 FFEDRM COCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000175103693 991160573 /nfs/dbraw/zinc/16/05/73/991160573.db2.gz MWTWASPMZRXKHZ-GOSISDBHSA-N -1 0 358.438 2.873 20 30 FFEDRM COc1ccccc1C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-] ZINC001599708023 991322844 /nfs/dbraw/zinc/32/28/44/991322844.db2.gz TZABPSVITOXCCZ-CQSZACIVSA-N -1 0 355.350 2.830 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001591052531 991460222 /nfs/dbraw/zinc/46/02/22/991460222.db2.gz SZWOKSAVZIBVCC-AWEZNQCLSA-N -1 0 359.407 2.779 20 30 FFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1(c2ccccc2)CC1 ZINC000069641293 991835795 /nfs/dbraw/zinc/83/57/95/991835795.db2.gz WYICQHYGSMZFHS-UHFFFAOYSA-N -1 0 370.430 2.948 20 30 FFEDRM CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001591240604 992132064 /nfs/dbraw/zinc/13/20/64/992132064.db2.gz YKSRAYPCMUWXBB-UHFFFAOYSA-N -1 0 370.409 2.593 20 30 FFEDRM CS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(=O)CC1(C#N)CCCCC1 ZINC001599765927 992182934 /nfs/dbraw/zinc/18/29/34/992182934.db2.gz RHBQHGNFRCSVKI-UHFFFAOYSA-N -1 0 364.423 2.591 20 30 FFEDRM CS(=O)(=O)c1ccc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)o1 ZINC001599769866 992230838 /nfs/dbraw/zinc/23/08/38/992230838.db2.gz FHWAXXKWCVNHLP-ZRDIBKRKSA-N -1 0 360.387 2.984 20 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997251143 /nfs/dbraw/zinc/25/11/43/997251143.db2.gz YIQCJPLSIWFFAN-JTQLQIEISA-N -1 0 359.407 2.677 20 30 FFEDRM C=CCc1cc(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc(OC)c1OC ZINC000679555991 1016107195 /nfs/dbraw/zinc/10/71/95/1016107195.db2.gz HHUWNSQWGMCRFU-IBGZPJMESA-N -1 0 362.426 2.581 20 30 FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc(C#N)c2)cc1OC ZINC001599513710 997344958 /nfs/dbraw/zinc/34/49/58/997344958.db2.gz MINJHEVQUGAZKC-CYBMUJFWSA-N -1 0 360.391 2.583 20 30 FFEDRM COCC[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC001599217011 997599770 /nfs/dbraw/zinc/59/97/70/997599770.db2.gz AQYAXZYRORSRCL-MRXNPFEDSA-N -1 0 372.352 2.709 20 30 FFEDRM COCC[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC001599217010 997600329 /nfs/dbraw/zinc/60/03/29/997600329.db2.gz AQYAXZYRORSRCL-INIZCTEOSA-N -1 0 372.352 2.709 20 30 FFEDRM CC1(NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)COC1 ZINC001594058131 997818020 /nfs/dbraw/zinc/81/80/20/997818020.db2.gz YDPATBKLRPGTBH-UHFFFAOYSA-N -1 0 350.374 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C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836499 998670197 /nfs/dbraw/zinc/67/01/97/998670197.db2.gz DJCDFHOWUBAPSE-FZMZJTMJSA-N -1 0 370.430 2.930 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(OCc2cccnc2)c(C)c1 ZINC000733678588 999045104 /nfs/dbraw/zinc/04/51/04/999045104.db2.gz DRXTYMWGGUSFJP-SFHVURJKSA-N -1 0 363.417 2.902 20 30 FFEDRM C[C@@H]1CC[C@@](NC(=O)COc2ccccc2C#N)(C(=O)[O-])c2ccccc21 ZINC001594313770 999207298 /nfs/dbraw/zinc/20/72/98/999207298.db2.gz MMFDQYBGVDUOKP-SZNDQCEHSA-N -1 0 364.401 2.931 20 30 FFEDRM C#CCOc1ccccc1CNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000734176670 999222090 /nfs/dbraw/zinc/22/20/90/999222090.db2.gz GXAOCQSTYSYMAT-UHFFFAOYSA-N -1 0 365.364 2.659 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1ccccc1OC1CCC1 ZINC000735772948 999486987 /nfs/dbraw/zinc/48/69/87/999486987.db2.gz VINBTIGANCEKGZ-UHFFFAOYSA-N -1 0 370.430 2.917 20 30 FFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000742030007 999753970 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FFEDRM Cc1oc2ccccc2c1CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000767955381 1000166530 /nfs/dbraw/zinc/16/65/30/1000166530.db2.gz VTOLMZLTOUAPGY-UHFFFAOYSA-N -1 0 368.414 2.802 20 30 FFEDRM CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccn1 ZINC000768320500 1000206184 /nfs/dbraw/zinc/20/61/84/1000206184.db2.gz HXCJQOIRFXRWSM-UHFFFAOYSA-N -1 0 368.393 2.936 20 30 FFEDRM C=CCCCCCCCCC(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001144798207 1000286581 /nfs/dbraw/zinc/28/65/81/1000286581.db2.gz GJYFJJUQGIKELX-UHFFFAOYSA-N -1 0 350.506 2.965 20 30 FFEDRM CC1(C)c2cc(C([O-])=C(C#N)C(=O)NC3CCCCC3)ccc2NC1=O ZINC000768761984 1000331964 /nfs/dbraw/zinc/33/19/64/1000331964.db2.gz BMYHTLNRONUCQE-AWEZNQCLSA-N -1 0 353.422 2.688 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C ZINC000846553387 1000353653 /nfs/dbraw/zinc/35/36/53/1000353653.db2.gz BZNMTUHTSKTWQO-WFTHSTBKSA-N -1 0 368.474 2.707 20 30 FFEDRM N#Cc1ccc(NC(=O)c2cc([O-])c(Br)c(O)c2)c(C#N)c1 ZINC001148990236 1001249367 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ZINC000558024675 516555131 /nfs/dbraw/zinc/55/51/31/516555131.db2.gz GULJWPHYSJBCFX-UHFFFAOYSA-N -1 0 356.787 2.631 20 30 FFEDRM CCOC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000554662092 516574652 /nfs/dbraw/zinc/57/46/52/516574652.db2.gz GUSZOJOSJWCLIX-UHFFFAOYSA-N -1 0 359.407 2.813 20 30 FFEDRM N#Cc1ccc(CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C2CC2)cc1 ZINC000544109504 516589803 /nfs/dbraw/zinc/58/98/03/516589803.db2.gz UYHGIIJXTWQLAP-UHFFFAOYSA-N -1 0 366.446 2.545 20 30 FFEDRM N#CC1(CS(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])CCCCC1 ZINC000547865906 516607465 /nfs/dbraw/zinc/60/74/65/516607465.db2.gz FOYNEHZWLFJHLH-UHFFFAOYSA-N -1 0 358.366 2.879 20 30 FFEDRM C[C@H]1CC[C@@](CNS(=O)(=O)c2ccc(Cl)cc2C#N)(CC(=O)[O-])C1 ZINC000547886139 516617702 /nfs/dbraw/zinc/61/77/02/516617702.db2.gz PCAZIBOKFQKKOV-ZBEGNZNMSA-N -1 0 370.858 2.771 20 30 FFEDRM C=CCOc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000531743325 516619364 /nfs/dbraw/zinc/61/93/64/516619364.db2.gz VYJVZLKEBSKMSG-UHFFFAOYSA-N -1 0 355.390 2.931 20 30 FFEDRM Cc1cc([C@H](NS(=O)(=O)CC2(C#N)CCCC2)C(=O)[O-])ccc1Cl ZINC000547933132 516639457 /nfs/dbraw/zinc/63/94/57/516639457.db2.gz ORFNXAQQMZMDQM-AWEZNQCLSA-N -1 0 370.858 2.778 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)cc1C#N ZINC000544261592 516667588 /nfs/dbraw/zinc/66/75/88/516667588.db2.gz WFBDBZDKOSNXIX-SNVBAGLBSA-N -1 0 357.439 2.531 20 30 FFEDRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000518816224 516787810 /nfs/dbraw/zinc/78/78/10/516787810.db2.gz BAOFWVHDDZPKMO-UHFFFAOYSA-N -1 0 373.434 2.993 20 30 FFEDRM COCCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000528932639 516808401 /nfs/dbraw/zinc/80/84/01/516808401.db2.gz HUWDYRHRCQJLPF-OAHLLOKOSA-N -1 0 367.434 2.928 20 30 FFEDRM Cc1cccc(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1C#N ZINC000548201811 516821808 /nfs/dbraw/zinc/82/18/08/516821808.db2.gz UKVIRKWSRJYYCO-MRXNPFEDSA-N -1 0 358.419 2.751 20 30 FFEDRM Cc1cccc([C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1 ZINC000548205321 516824443 /nfs/dbraw/zinc/82/44/43/516824443.db2.gz SQWAVXWLPOOAGC-HNNXBMFYSA-N -1 0 364.810 2.624 20 30 FFEDRM Cc1cc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)C(=O)[O-])ccc1Cl ZINC000548214515 516830816 /nfs/dbraw/zinc/83/08/16/516830816.db2.gz ODVPVOUEFZRLML-OAHLLOKOSA-N -1 0 364.810 2.624 20 30 FFEDRM Cc1cccc(CC(=O)C(C#N)=C([O-])c2nccn2C)c1Br ZINC000528970041 516831762 /nfs/dbraw/zinc/83/17/62/516831762.db2.gz VDXWOXSKZMDIEC-LBPRGKRZSA-N -1 0 360.211 2.625 20 30 FFEDRM CN([C@@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000548234054 516841215 /nfs/dbraw/zinc/84/12/15/516841215.db2.gz NMLTUWMINNBAFT-OAHLLOKOSA-N -1 0 364.810 2.658 20 30 FFEDRM Cc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)n(C2CCOCC2)n1 ZINC000529000235 516853404 /nfs/dbraw/zinc/85/34/04/516853404.db2.gz RNIIRZGTBFUQGO-OAHLLOKOSA-N -1 0 361.405 2.976 20 30 FFEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000519097234 516883068 /nfs/dbraw/zinc/88/30/68/516883068.db2.gz YQXKHHXKENWPOS-AWEZNQCLSA-N -1 0 355.456 2.809 20 30 FFEDRM CC(C)c1nc(C([O-])=C(C#N)c2ccncn2)nn1-c1ccccc1F ZINC000544816103 516941560 /nfs/dbraw/zinc/94/15/60/516941560.db2.gz WHKAOLHQCPJAJC-GFCCVEGCSA-N -1 0 350.357 2.810 20 30 FFEDRM N#CC(=C([O-])c1cnn(-c2ccccn2)c1C(F)(F)F)c1ccncn1 ZINC000544817666 516942339 /nfs/dbraw/zinc/94/23/39/516942339.db2.gz XJEYXQMHIGCUTE-JTQLQIEISA-N -1 0 358.283 2.566 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccsc1 ZINC000548524796 517034363 /nfs/dbraw/zinc/03/43/63/517034363.db2.gz AVZQQKMEIQSPGL-GFCCVEGCSA-N -1 0 370.839 2.767 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])cc1F ZINC000562353492 517050359 /nfs/dbraw/zinc/05/03/59/517050359.db2.gz PKFVBQHVGDMWLL-UHFFFAOYSA-N -1 0 354.746 2.850 20 30 FFEDRM CC(C)[C@@H](C(=O)[O-])N(Cc1cccc(Cl)c1)S(=O)(=O)CCCC#N ZINC000548562011 517054428 /nfs/dbraw/zinc/05/44/28/517054428.db2.gz FSHAJPCFPBWCAX-HNNXBMFYSA-N -1 0 372.874 2.885 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000548590931 517070103 /nfs/dbraw/zinc/07/01/03/517070103.db2.gz GNCBPQONTLNHLY-DYVFJYSZSA-N -1 0 358.419 2.607 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000548591615 517071986 /nfs/dbraw/zinc/07/19/86/517071986.db2.gz HFDLOJHXRSGECQ-OAHLLOKOSA-N -1 0 364.810 2.624 20 30 FFEDRM CCN(C[C@H](C)C#N)S(=O)(=O)Nc1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000519652677 517107371 /nfs/dbraw/zinc/10/73/71/517107371.db2.gz RDNQPDCZPOHPJR-GFCCVEGCSA-N -1 0 367.471 2.821 20 30 FFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000537364556 517156301 /nfs/dbraw/zinc/15/63/01/517156301.db2.gz WSEUYEWCLNYCLN-ZBEGNZNMSA-N -1 0 358.781 2.921 20 30 FFEDRM CC(C)[C@H]1C[C@](NS(=O)(=O)c2ccc(C#N)o2)(C(=O)[O-])c2ccccc21 ZINC000548769555 517203465 /nfs/dbraw/zinc/20/34/65/517203465.db2.gz BDRXMXVLXDERJP-RDTXWAMCSA-N -1 0 374.418 2.553 20 30 FFEDRM CSc1nc(O)c(C(=O)Nc2ccccc2-n2ccnc2)cc1C#N ZINC000537582373 517241845 /nfs/dbraw/zinc/24/18/45/517241845.db2.gz HKVALLKGHJULQQ-UHFFFAOYSA-N -1 0 351.391 2.819 20 30 FFEDRM CC1CCC(NS(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])CC1 ZINC000548837451 517245861 /nfs/dbraw/zinc/24/58/61/517245861.db2.gz VPUSFJJNOYPGKQ-UHFFFAOYSA-N -1 0 356.831 2.523 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCc1ccccc1-n1nc(C)cc1C)C(=O)[O-] ZINC000562648539 517267825 /nfs/dbraw/zinc/26/78/25/517267825.db2.gz RNSOPZQCDMJSSI-MRXNPFEDSA-N -1 0 356.426 2.708 20 30 FFEDRM Cc1cccc(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1C#N ZINC000548868151 517268350 /nfs/dbraw/zinc/26/83/50/517268350.db2.gz VWSMFHAOYAXNQD-OAHLLOKOSA-N -1 0 350.440 2.569 20 30 FFEDRM C=CCn1c(COc2cccc(C)c2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000516119322 517573208 /nfs/dbraw/zinc/57/32/08/517573208.db2.gz PKKZCQSVENWDFS-UHFFFAOYSA-N -1 0 352.442 2.867 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000516177451 517604056 /nfs/dbraw/zinc/60/40/56/517604056.db2.gz OCQGKYHEMWEYEB-QWRGUYRKSA-N -1 0 350.469 2.710 20 30 FFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000546263102 517619045 /nfs/dbraw/zinc/61/90/45/517619045.db2.gz HHFAFTBACKKVQL-UHFFFAOYSA-N -1 0 362.245 2.734 20 30 FFEDRM C=CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000563070350 517631834 /nfs/dbraw/zinc/63/18/34/517631834.db2.gz XZENYPOKUVUCFG-LBPRGKRZSA-N -1 0 367.345 2.597 20 30 FFEDRM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000533885178 517653375 /nfs/dbraw/zinc/65/33/75/517653375.db2.gz YDWBXYDHXISVBH-NSHDSACASA-N -1 0 364.373 2.776 20 30 FFEDRM C=CCC[C@H](NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000516443368 517693941 /nfs/dbraw/zinc/69/39/41/517693941.db2.gz XDFBKPMIUUUZHN-WBVHZDCISA-N -1 0 358.438 2.523 20 30 FFEDRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)c2O1 ZINC000530487237 517805170 /nfs/dbraw/zinc/80/51/70/517805170.db2.gz SMNODJGNAXCRBY-UHFFFAOYSA-N -1 0 373.390 2.981 20 30 FFEDRM Cn1cc(-c2ccc(F)c(C(=O)N=c3[n-]n(C(C)(C)C)cc3C#N)c2)cn1 ZINC000542925568 517817649 /nfs/dbraw/zinc/81/76/49/517817649.db2.gz BGOIOFRNYHIRDQ-UHFFFAOYSA-N -1 0 366.400 2.724 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000557085295 517843715 /nfs/dbraw/zinc/84/37/15/517843715.db2.gz KZMRNWHJBGEYLH-UHFFFAOYSA-N -1 0 363.377 2.845 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc(Cl)c3c(c2)OCCCO3)[n-]1 ZINC000530624974 517887817 /nfs/dbraw/zinc/88/78/17/517887817.db2.gz IBAKGEVSKDPQLC-UHFFFAOYSA-N -1 0 360.801 2.825 20 30 FFEDRM N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000521917496 517899827 /nfs/dbraw/zinc/89/98/27/517899827.db2.gz LJYNHEOISYKCHN-UHFFFAOYSA-N -1 0 354.384 2.694 20 30 FFEDRM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3F)c2)n[nH]1 ZINC000530665700 517908980 /nfs/dbraw/zinc/90/89/80/517908980.db2.gz WFDGQJHSJGXERJ-UHFFFAOYSA-N -1 0 371.397 2.900 20 30 FFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000543164264 517941322 /nfs/dbraw/zinc/94/13/22/517941322.db2.gz KYLCDKBMBBKQFJ-UHFFFAOYSA-N -1 0 364.398 2.832 20 30 FFEDRM CS(=O)(=O)Nc1ccc(-c2noc(CCc3ccc(C#N)cc3)n2)cc1 ZINC000547004612 517953130 /nfs/dbraw/zinc/95/31/30/517953130.db2.gz UTRSTGOLGYHLDX-UHFFFAOYSA-N -1 0 368.418 2.765 20 30 FFEDRM CCOC(=O)c1cnc(/C=C\c2cnc3ccc(C#N)cn23)c(C(=O)[O-])c1 ZINC000539233308 517958536 /nfs/dbraw/zinc/95/85/36/517958536.db2.gz IXOQNEYJGYKKHF-PLNGDYQASA-N -1 0 362.345 2.646 20 30 FFEDRM C=CC[C@@H](CO)CNC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000539300709 517984301 /nfs/dbraw/zinc/98/43/01/517984301.db2.gz MTXGLGGJGJWDGB-CYBMUJFWSA-N -1 0 360.483 2.592 20 30 FFEDRM C=CCC[C@H](NC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000563602337 518014455 /nfs/dbraw/zinc/01/44/55/518014455.db2.gz GUUKSMULXDFWSV-JSGCOSHPSA-N -1 0 350.415 2.874 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)c1 ZINC000517268553 518100040 /nfs/dbraw/zinc/10/00/40/518100040.db2.gz XVTORSOVQKJONN-UHFFFAOYSA-N -1 0 364.430 2.934 20 30 FFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000547414325 518127098 /nfs/dbraw/zinc/12/70/98/518127098.db2.gz TVBAVPZTQZDRLY-UHFFFAOYSA-N -1 0 357.313 2.781 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000572536666 518236908 /nfs/dbraw/zinc/23/69/08/518236908.db2.gz VJAMQUZCJVWIBQ-UHFFFAOYSA-N -1 0 363.398 2.985 20 30 FFEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000566903658 518258373 /nfs/dbraw/zinc/25/83/73/518258373.db2.gz NWYXKRHLDHRGGN-VIFPVBQESA-N -1 0 351.428 2.682 20 30 FFEDRM CS(=O)(=O)CC[C@@H](Cc1cccc(-c2ccsc2C#N)c1)C(=O)[O-] ZINC000569988343 518389408 /nfs/dbraw/zinc/38/94/08/518389408.db2.gz INFJZPKSUXFXSN-AWEZNQCLSA-N -1 0 363.460 2.965 20 30 FFEDRM C=CCC[C@@H](NS(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000584695562 518432519 /nfs/dbraw/zinc/43/25/19/518432519.db2.gz QCBFANXSTBVLIB-GFCCVEGCSA-N -1 0 352.437 2.508 20 30 FFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000581922085 518503002 /nfs/dbraw/zinc/50/30/02/518503002.db2.gz ILBWOOXKHLIBPR-CYBMUJFWSA-N -1 0 361.423 2.951 20 30 FFEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000567601740 518608268 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20 30 FFEDRM C[C@H](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)NC(=O)[O-] ZINC000824606053 602830587 /nfs/dbraw/zinc/83/05/87/602830587.db2.gz NTOOIRHCBAFSMK-KDOFPFPSSA-N -1 0 367.405 2.993 20 30 FFEDRM CC(C)N(CCC(=O)N[C@@H](C#N)c1ccc(Br)cc1)C(=O)[O-] ZINC000738840134 602845008 /nfs/dbraw/zinc/84/50/08/602845008.db2.gz VDULVZPQRYJIQL-ZDUSSCGKSA-N -1 0 368.231 2.908 20 30 FFEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cccc(OCC#N)c1 ZINC000739970311 602894469 /nfs/dbraw/zinc/89/44/69/602894469.db2.gz WJMKEQOSNMTYHV-INIZCTEOSA-N -1 0 355.350 2.545 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739207285 603034786 /nfs/dbraw/zinc/03/47/86/603034786.db2.gz CVVGJWDMCXAHJG-FUHWJXTLSA-N -1 0 367.405 2.993 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000739208143 603037749 /nfs/dbraw/zinc/03/77/49/603037749.db2.gz JHKYKPMPKWODKP-GOEBONIOSA-N -1 0 374.441 2.557 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1 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Cc1csc(C(C#N)=C([O-])COC(=O)c2cnn(CC3CCCC3)c2)n1 ZINC000869740326 1011906870 /nfs/dbraw/zinc/90/68/70/1011906870.db2.gz VVDODVKGVWZOTL-HNNXBMFYSA-N -1 0 372.450 2.872 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1C ZINC000870137870 1012184068 /nfs/dbraw/zinc/18/40/68/1012184068.db2.gz DLZQQSQXXOURRQ-SFHVURJKSA-N -1 0 352.390 2.872 20 30 FFEDRM Cc1nc(CCC(=O)C(C#N)=C([O-])c2nccn2C)oc1-c1ccccc1 ZINC000123031560 1012287207 /nfs/dbraw/zinc/28/72/07/1012287207.db2.gz PUQTVNGFITXGRG-OAHLLOKOSA-N -1 0 362.389 2.908 20 30 FFEDRM N#CC(C(=O)NCc1ccc(F)c(F)c1)=C([O-])c1ccnn1CC1CCC1 ZINC000870308660 1012308068 /nfs/dbraw/zinc/30/80/68/1012308068.db2.gz OQGUKAYYHYDTFK-AWEZNQCLSA-N -1 0 372.375 2.600 20 30 FFEDRM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000748841491 1017700576 /nfs/dbraw/zinc/70/05/76/1017700576.db2.gz IOCBBLPBVUATMU-AWEZNQCLSA-N -1 0 369.446 2.683 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC000133532266 1019019418 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1022004516 /nfs/dbraw/zinc/00/45/16/1022004516.db2.gz BACJZQZBHRPVQQ-UHFFFAOYSA-N -1 0 369.446 2.975 20 30 FFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000155477981 1022258102 /nfs/dbraw/zinc/25/81/02/1022258102.db2.gz OMDNDYDHKKIQRA-LBPRGKRZSA-N -1 0 371.828 2.645 20 30 FFEDRM COc1ccc(C(=O)/C=C\c2cnc3c(c2)c(C)nn3C)cc1CC(=O)[O-] ZINC000750904919 1022723914 /nfs/dbraw/zinc/72/39/14/1022723914.db2.gz YZTLCXRCZUVWMY-XQRVVYSFSA-N -1 0 365.389 2.809 20 30 FFEDRM C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1sccc1Br ZINC001119419847 1022753644 /nfs/dbraw/zinc/75/36/44/1022753644.db2.gz KSUJNQAQHLTROR-UHFFFAOYSA-N -1 0 352.275 2.918 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)OCc2noc(-c3ccccc3)n2)cc1C#N ZINC001120936380 1023532526 /nfs/dbraw/zinc/53/25/26/1023532526.db2.gz MDTCVKKJJADULW-UHFFFAOYSA-N -1 0 368.374 2.788 20 30 FFEDRM COc1cc(C=NNc2cccc(F)c2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000755661869 1023620799 /nfs/dbraw/zinc/62/07/99/1023620799.db2.gz JRIUWTBHZZFLNY-UHFFFAOYSA-N -1 0 363.301 2.652 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ZINC000193379365 1024496979 /nfs/dbraw/zinc/49/69/79/1024496979.db2.gz OBTPKBHKYVSJRK-QZTJIDSGSA-N -1 0 358.438 2.873 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000193414762 1024505403 /nfs/dbraw/zinc/50/54/03/1024505403.db2.gz LSFKPIHARBNILT-NSHDSACASA-N -1 0 369.402 2.641 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1cncc(F)c1 ZINC000759242942 1024531431 /nfs/dbraw/zinc/53/14/31/1024531431.db2.gz QHNVBLPAWTXVIV-ZDUSSCGKSA-N -1 0 357.341 2.548 20 30 FFEDRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000759492812 1024632081 /nfs/dbraw/zinc/63/20/81/1024632081.db2.gz WWVNSAWQQMXXIY-UHFFFAOYSA-N -1 0 374.466 2.569 20 30 FFEDRM N#Cc1ccc(N2CC[C@H](OC(=O)c3cc(F)c([O-])c(F)c3)C2=O)cc1 ZINC000759545344 1024655277 /nfs/dbraw/zinc/65/52/77/1024655277.db2.gz JRIHODRGTQFYNH-HNNXBMFYSA-N -1 0 358.300 2.504 20 30 FFEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795297599 1025465663 /nfs/dbraw/zinc/46/56/63/1025465663.db2.gz 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N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1c[n-]c2cccnc2c1=O ZINC001153852206 1028024235 /nfs/dbraw/zinc/02/42/35/1028024235.db2.gz ZIKBKFWKNTTWQN-UHFFFAOYSA-N -1 0 368.356 2.504 20 30 FFEDRM N#Cc1cnc(NC(=O)c2c([O-])cnc3ccc(Br)cc32)cn1 ZINC001154535370 1028342307 /nfs/dbraw/zinc/34/23/07/1028342307.db2.gz RSACLIXKWJBHIX-UHFFFAOYSA-N -1 0 370.166 2.617 20 30 FFEDRM O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC001154597940 1028369732 /nfs/dbraw/zinc/36/97/32/1028369732.db2.gz SCGLGWZFJUFXOW-UTCJRWHESA-N -1 0 365.158 2.910 20 30 FFEDRM COc1ccc2cc([O-])c(C(=O)N=C(NO)c3ccc(C)cn3)cc2c1 ZINC001154756703 1028440550 /nfs/dbraw/zinc/44/05/50/1028440550.db2.gz NVWJUGAUNLWLDA-UHFFFAOYSA-N -1 0 351.362 2.823 20 30 FFEDRM N#Cc1nc(NC(=O)c2cnc(-c3c(F)cccc3F)s2)[n-]c1C#N ZINC001163738567 1029045232 /nfs/dbraw/zinc/04/52/32/1029045232.db2.gz UZLWOULQUVZPKC-UHFFFAOYSA-N -1 0 356.317 2.807 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C2(c3ccc(C#N)cc3)CC2)n1 ZINC000781398590 1029190229 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Cc1c2c(cccc2F)sc1S(=O)(=O)[N-]c1nn(C)cc1C#N ZINC001322474105 1046099105 /nfs/dbraw/zinc/09/91/05/1046099105.db2.gz DEMUEOPJXZFYHX-UHFFFAOYSA-N -1 0 350.400 2.755 20 30 FFEDRM C=CC[C@H](NC(=O)NCCOCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001324653142 1046148611 /nfs/dbraw/zinc/14/86/11/1046148611.db2.gz VWHQVUWQTFFJMM-ZDUSSCGKSA-N -1 0 361.225 2.839 20 30 FFEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(F)c1 ZINC001325757323 1046632029 /nfs/dbraw/zinc/63/20/29/1046632029.db2.gz CHRPHHZUOCQTCZ-UHFFFAOYSA-N -1 0 354.334 2.677 20 30 FFEDRM C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC001326176382 1046795665 /nfs/dbraw/zinc/79/56/65/1046795665.db2.gz HNVKHEOGWMQRDF-UHFFFAOYSA-N -1 0 361.467 2.896 20 30 FFEDRM CCCOc1ccc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1OC ZINC001290416839 1048101203 /nfs/dbraw/zinc/10/12/03/1048101203.db2.gz ZPHHDFIYOURFMR-UHFFFAOYSA-N -1 0 355.394 2.695 20 30 FFEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 ZINC001328726080 1048437857 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C=C(C)CCC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001345783194 1052611426 /nfs/dbraw/zinc/61/14/26/1052611426.db2.gz PMWUQHBCZIMSNX-KRWDZBQOSA-N -1 0 350.846 2.966 20 30 FFEDRM C#CCCCCC(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001344550646 1052829782 /nfs/dbraw/zinc/82/97/82/1052829782.db2.gz JUARAPSCCDGJBA-CQSZACIVSA-N -1 0 352.228 2.755 20 30 FFEDRM CCOC(=O)c1cc(C([O-])=C(C#N)c2cccc(F)n2)cc([N+](=O)[O-])c1 ZINC001344594747 1052851380 /nfs/dbraw/zinc/85/13/80/1052851380.db2.gz HFEJRRNQJXJUBR-ZDUSSCGKSA-N -1 0 357.297 2.796 20 30 FFEDRM CC(C)CN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C[C@@H]1CCCCO1 ZINC001344606814 1052857205 /nfs/dbraw/zinc/85/72/05/1052857205.db2.gz JYTPOWUHSSKWRD-INIZCTEOSA-N -1 0 370.457 2.579 20 30 FFEDRM C=CC[C@@H](NC(=O)N[C@@H]1CCOc2ccc(Br)cc21)C(=O)[O-] ZINC001335324858 1053297145 /nfs/dbraw/zinc/29/71/45/1053297145.db2.gz PSUMHUGPNBENBV-VXGBXAGGSA-N -1 0 369.215 2.601 20 30 FFEDRM C[C@@H]1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)C[C@@H]1C ZINC001346925320 1053449541 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ZINC001454242855 1059465633 /nfs/dbraw/zinc/46/56/33/1059465633.db2.gz TYAFSGGRMDAQDU-UHFFFAOYSA-N -1 0 366.377 2.889 20 30 FFEDRM N#Cc1cccc(O[N-]C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)c1 ZINC001454683704 1059606612 /nfs/dbraw/zinc/60/66/12/1059606612.db2.gz RAFFRMBIEXFPPS-OAHLLOKOSA-N -1 0 359.744 2.954 20 30 FFEDRM C=CCn1c(CC(F)F)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001520356488 1059636758 /nfs/dbraw/zinc/63/67/58/1059636758.db2.gz ZULABPBRWRZKRT-UHFFFAOYSA-N -1 0 366.397 2.618 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(CC)CCSC ZINC001516045806 1059938751 /nfs/dbraw/zinc/93/87/51/1059938751.db2.gz CXYXJIMPDJIECT-UHFFFAOYSA-N -1 0 350.492 2.633 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)CCCSC ZINC001516047520 1059942259 /nfs/dbraw/zinc/94/22/59/1059942259.db2.gz PZLRGLMVQUAYNM-UHFFFAOYSA-N -1 0 350.492 2.633 20 30 FFEDRM COC(=O)c1scc(C)c1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001516540092 1060133959 /nfs/dbraw/zinc/13/39/59/1060133959.db2.gz ROFVMRSFGLEBRB-UHFFFAOYSA-N -1 0 363.420 2.790 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C=C(C)C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)C(=O)[O-] ZINC001588542606 1080088110 /nfs/dbraw/zinc/08/81/10/1080088110.db2.gz NIDVJQOHOOMYCV-INIZCTEOSA-N -1 0 356.378 2.788 20 30 FFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001588547749 1080090544 /nfs/dbraw/zinc/09/05/44/1080090544.db2.gz MLPYCVVGWPYQHO-AWEZNQCLSA-N -1 0 360.435 2.687 20 30 FFEDRM C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001588567564 1080101807 /nfs/dbraw/zinc/10/18/07/1080101807.db2.gz NAKYTJBAHZECNZ-UHFFFAOYSA-N -1 0 366.417 2.857 20 30 FFEDRM C=C(C)COCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588569530 1080103173 /nfs/dbraw/zinc/10/31/73/1080103173.db2.gz FILVSJXMFAJGKV-JKSUJKDBSA-N -1 0 366.845 2.742 20 30 FFEDRM C=C(C)COc1cccc(NC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c1 ZINC001588573600 1080104432 /nfs/dbraw/zinc/10/44/32/1080104432.db2.gz QMDFKJGYKZQZJE-UHFFFAOYSA-N -1 0 356.382 2.694 20 30 FFEDRM C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588578930 1080107320 /nfs/dbraw/zinc/10/73/20/1080107320.db2.gz RPTLVRDIAZJSNQ-HNNXBMFYSA-N -1 0 363.421 2.980 20 30 FFEDRM C=CCCCC(=O)N(C)CCCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588582576 1080108467 /nfs/dbraw/zinc/10/84/67/1080108467.db2.gz MJCSICHNRYLPHU-UHFFFAOYSA-N -1 0 369.882 2.593 20 30 FFEDRM C=C(C)Cn1c(-c2oc(C3CC3)nc2C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588589473 1080113335 /nfs/dbraw/zinc/11/33/35/1080113335.db2.gz OFTOKPFLKMBXCZ-IBGZPJMESA-N -1 0 371.441 2.996 20 30 FFEDRM C=C(C)Cn1c([C@H](C)c2ccccn2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588589507 1080113436 /nfs/dbraw/zinc/11/34/36/1080113436.db2.gz PJZMSYWHVXTVMC-BZUAXINKSA-N -1 0 369.469 2.948 20 30 FFEDRM C=C(C)Cn1c(CC[C@@H]2CCCO2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588597281 1080118487 /nfs/dbraw/zinc/11/84/87/1080118487.db2.gz CLZNRNQBLZLQEV-OAGGEKHMSA-N -1 0 362.474 2.513 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001588607033 1080121381 /nfs/dbraw/zinc/12/13/81/1080121381.db2.gz PSCWIPPKJUDUIP-CQSZACIVSA-N -1 0 356.463 2.805 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC001588614467 1080122942 /nfs/dbraw/zinc/12/29/42/1080122942.db2.gz WENUEBCJPLTOQO-UHFFFAOYSA-N -1 0 365.401 2.912 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC001588614735 1080122986 /nfs/dbraw/zinc/12/29/86/1080122986.db2.gz AQFSDQHWRPJBBZ-FQEVSTJZSA-N -1 0 359.422 2.574 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001588615508 1080123764 /nfs/dbraw/zinc/12/37/64/1080123764.db2.gz WYASRCPLSGESOE-GDBMZVCRSA-N -1 0 366.458 2.657 20 30 FFEDRM CC(C)(C)CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-] ZINC001588653181 1080143140 /nfs/dbraw/zinc/14/31/40/1080143140.db2.gz RUWBVVRMNCUJJG-LLVKDONJSA-N -1 0 358.847 2.769 20 30 FFEDRM C=C[C@H](C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588661960 1080145266 /nfs/dbraw/zinc/14/52/66/1080145266.db2.gz VADQNZWBNZNHPT-GBESFXJTSA-N -1 0 351.402 2.989 20 30 FFEDRM C=C[C@@H](C)ONC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588687244 1080153622 /nfs/dbraw/zinc/15/36/22/1080153622.db2.gz MARYAKAEIIYZHR-GFCCVEGCSA-N -1 0 357.410 2.742 20 30 FFEDRM C=C[C@H](COC)NC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588692983 1080158064 /nfs/dbraw/zinc/15/80/64/1080158064.db2.gz OKHHILIXNRZMRW-SSDOTTSWSA-N -1 0 361.167 2.609 20 30 FFEDRM C=C[C@H](COC)NC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588693411 1080158307 /nfs/dbraw/zinc/15/83/07/1080158307.db2.gz XYVDQTTUDYGDAM-CYBMUJFWSA-N -1 0 361.423 2.509 20 30 FFEDRM C=CCn1c([C@@H](C)Cc2ccc(-c3nn[nH]n3)cc2)nnc1N1CCCC1 ZINC001588703407 1080161805 /nfs/dbraw/zinc/16/18/05/1080161805.db2.gz BCUKIAHINFQNDR-AWEZNQCLSA-N -1 0 364.457 2.591 20 30 FFEDRM C=CCn1c(-c2cncc(-c3nn[nH]n3)c2)nnc1N(CC(C)C)C(C)C ZINC001588704777 1080162502 /nfs/dbraw/zinc/16/25/02/1080162502.db2.gz PCZSBGACWHTIST-UHFFFAOYSA-N -1 0 367.461 2.577 20 30 FFEDRM C=CC[C@H](OC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C(=O)[O-] ZINC001588755612 1080180891 /nfs/dbraw/zinc/18/08/91/1080180891.db2.gz BKAHHXNKJCZXCE-JTQLQIEISA-N -1 0 356.256 2.942 20 30 FFEDRM C=CC[C@H](OC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588759497 1080182184 /nfs/dbraw/zinc/18/21/84/1080182184.db2.gz VGQCWLLGHIXYFW-ZDUSSCGKSA-N -1 0 361.785 2.984 20 30 FFEDRM C=CCCC(C)(C)NC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588778038 1080191799 /nfs/dbraw/zinc/19/17/99/1080191799.db2.gz QVGHCTQISSXRJT-UHFFFAOYSA-N -1 0 354.428 2.655 20 30 FFEDRM C=CCC[C@H](CO)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588777695 1080192067 /nfs/dbraw/zinc/19/20/67/1080192067.db2.gz GDIHSJCVSOGVGW-LLVKDONJSA-N -1 0 371.231 2.904 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001588789835 1080196341 /nfs/dbraw/zinc/19/63/41/1080196341.db2.gz KSEKRFZPFVBFEC-WFASDCNBSA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ccccc1 ZINC001588788759 1080196418 /nfs/dbraw/zinc/19/64/18/1080196418.db2.gz MWTBNGXUHCSSGB-IRXDYDNUSA-N -1 0 358.438 2.523 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)C(=O)[O-] ZINC001588790077 1080197870 /nfs/dbraw/zinc/19/78/70/1080197870.db2.gz PSGVITNUQUHGIZ-SJORKVTESA-N -1 0 368.437 2.524 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cccc(CNc2ccncn2)c1)C(=O)[O-] ZINC001588793616 1080198839 /nfs/dbraw/zinc/19/88/39/1080198839.db2.gz UTDXXKFETCHXCU-MRXNPFEDSA-N -1 0 354.410 2.628 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)[O-] ZINC001588793673 1080198866 /nfs/dbraw/zinc/19/88/66/1080198866.db2.gz WOOKMALJBPAUDY-LLVKDONJSA-N -1 0 355.316 2.892 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)C(=O)[O-] ZINC001588792876 1080198964 /nfs/dbraw/zinc/19/89/64/1080198964.db2.gz ORFCCFLLHSQLTO-AXAPSJFSSA-N -1 0 362.401 2.960 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001588794298 1080199738 /nfs/dbraw/zinc/19/97/38/1080199738.db2.gz QIHMDFPCJCVGGF-KBPBESRZSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1C)C(=O)[O-] ZINC001588797905 1080201048 /nfs/dbraw/zinc/20/10/48/1080201048.db2.gz NEINWRDNULVCTJ-CQSZACIVSA-N -1 0 362.817 2.768 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588798445 1080202081 /nfs/dbraw/zinc/20/20/81/1080202081.db2.gz FQNWXYGXYSIWLF-GFCCVEGCSA-N -1 0 369.336 2.932 20 30 FFEDRM C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588800082 1080202095 /nfs/dbraw/zinc/20/20/95/1080202095.db2.gz ZVMGUFNPQYDIAS-OAHLLOKOSA-N -1 0 352.475 2.541 20 30 FFEDRM CC(=O)N(Cc1ccc(Nc2c(C#N)cccc2-c2nn[nH]n2)cc1)C1CC1 ZINC001588802817 1080202742 /nfs/dbraw/zinc/20/27/42/1080202742.db2.gz YVOMAWWGLPJNSR-UHFFFAOYSA-N -1 0 373.420 2.993 20 30 FFEDRM C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588802726 1080203347 /nfs/dbraw/zinc/20/33/47/1080203347.db2.gz VVTVMOOHRXSELX-MRXNPFEDSA-N -1 0 362.474 2.829 20 30 FFEDRM C=CCN(C(C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588820581 1080207368 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FFEDRM C=CCOc1ccc(CC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC001588873585 1080223208 /nfs/dbraw/zinc/22/32/08/1080223208.db2.gz DGMDHCBHJJVAPP-KRWDZBQOSA-N -1 0 369.417 2.559 20 30 FFEDRM C=CCOc1ccc(CNC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588873979 1080224867 /nfs/dbraw/zinc/22/48/67/1080224867.db2.gz QCXURESNVMSNMY-LLVKDONJSA-N -1 0 361.423 2.967 20 30 FFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)cc1 ZINC001588874160 1080225430 /nfs/dbraw/zinc/22/54/30/1080225430.db2.gz YTNRBNFCKZWHJZ-SUMDDJOVSA-N -1 0 361.438 2.569 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1OC ZINC001588874831 1080226342 /nfs/dbraw/zinc/22/63/42/1080226342.db2.gz IARLMCUZHURQTB-UVMHCMFPSA-N -1 0 359.422 2.985 20 30 FFEDRM C=CCOc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC ZINC001588875146 1080227205 /nfs/dbraw/zinc/22/72/05/1080227205.db2.gz YAPWWHYWYCXFRC-INIZCTEOSA-N -1 0 373.380 2.825 20 30 FFEDRM C=CC[S@](=O)(=NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001588879047 1080230133 /nfs/dbraw/zinc/23/01/33/1080230133.db2.gz SBSZERZGHZJPDZ-DXMRWRAPSA-N -1 0 351.424 2.639 20 30 FFEDRM C=CCn1c(-c2ncc(C)o2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588891503 1080239396 /nfs/dbraw/zinc/23/93/96/1080239396.db2.gz MVLWISCDRFSCHI-UHFFFAOYSA-N -1 0 357.370 2.664 20 30 FFEDRM C=CCn1c([C@@H]2CCCC[C@@H]2O)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588896067 1080245221 /nfs/dbraw/zinc/24/52/21/1080245221.db2.gz FHUURBYMQRMQDO-CVEARBPZSA-N -1 0 362.474 2.564 20 30 FFEDRM C=CCn1c([C@@H](O)CC(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588895466 1080245407 /nfs/dbraw/zinc/24/54/07/1080245407.db2.gz GPODHYCMQTYOQX-CABCVRRESA-N -1 0 350.463 2.625 20 30 FFEDRM C=CCn1c([C@H](C)Cc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588896202 1080245497 /nfs/dbraw/zinc/24/54/97/1080245497.db2.gz QNBAUWALTQZLHI-PBHICJAKSA-N -1 0 365.437 2.593 20 30 FFEDRM C=CCn1c([C@H](C)C(C)(C)O)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588895494 1080245568 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CCOc1ccccc1N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737217179 600561368 /nfs/dbraw/zinc/56/13/68/600561368.db2.gz FXYKQKWGNUCNNI-FQEVSTJZSA-N -1 0 365.433 2.905 20 30 FFEDRM CCCS(=O)(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737038669 600598905 /nfs/dbraw/zinc/59/89/05/600598905.db2.gz AEQXPQGCKYDRED-KRWDZBQOSA-N -1 0 373.434 2.948 20 30 FFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc2c1O[C@H](C)C2 ZINC000737863130 600606690 /nfs/dbraw/zinc/60/66/90/600606690.db2.gz MLJIMURBQNPZME-ZMZPIMSZSA-N -1 0 367.357 2.873 20 30 FFEDRM C=CCn1c(-c2ccncc2)nn(CN(CCC(=O)[O-])C(C)C)c1=S ZINC000736117713 600609906 /nfs/dbraw/zinc/60/99/06/600609906.db2.gz MEAZORZXWVSCIM-UHFFFAOYSA-N -1 0 361.471 2.805 20 30 FFEDRM CC(=O)Nc1cc(F)ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736158556 600612586 /nfs/dbraw/zinc/61/25/86/600612586.db2.gz UAYSXYYKUXWGIU-MRXNPFEDSA-N -1 0 356.309 2.638 20 30 FFEDRM N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)c1 ZINC000739140662 600615821 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20 30 FFEDRM N#Cc1ccc(OS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000833070961 600743724 /nfs/dbraw/zinc/74/37/24/600743724.db2.gz DLYHJHXHVSRCMX-UHFFFAOYSA-N -1 0 355.730 2.817 20 30 FFEDRM CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737505999 600890542 /nfs/dbraw/zinc/89/05/42/600890542.db2.gz HQKSHRGFDLAKQI-UHFFFAOYSA-N -1 0 350.783 2.735 20 30 FFEDRM C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827609817 600935982 /nfs/dbraw/zinc/93/59/82/600935982.db2.gz VOJZMRGWIGWAIC-SNVBAGLBSA-N -1 0 371.780 2.726 20 30 FFEDRM N#Cc1ccc(-c2nnc(CN3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000833070705 600987969 /nfs/dbraw/zinc/98/79/69/600987969.db2.gz SEXHOJXDFJVGGN-JYJNAYRXSA-N -1 0 352.394 2.826 20 30 FFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000739078684 601020474 /nfs/dbraw/zinc/02/04/74/601020474.db2.gz KQFXBRBSKJEBDE-UHFFFAOYSA-N -1 0 360.373 2.590 20 30 FFEDRM C#CCN(CC#CC)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000825614704 601020907 /nfs/dbraw/zinc/02/09/07/601020907.db2.gz VTACEQKIWNTPKG-UHFFFAOYSA-N -1 0 353.205 2.589 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736706267 601036869 /nfs/dbraw/zinc/03/68/69/601036869.db2.gz AGCGQYDWLGIYJH-SNVBAGLBSA-N -1 0 357.391 2.676 20 30 FFEDRM Cc1nn(-c2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000833012594 601240821 /nfs/dbraw/zinc/24/08/21/601240821.db2.gz NBXTYFOROIMEEM-SFHVURJKSA-N -1 0 367.405 2.965 20 30 FFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000237681379 601297126 /nfs/dbraw/zinc/29/71/26/601297126.db2.gz LQHCVAOIRRVTFC-QWQRMKEZSA-N -1 0 352.390 2.904 20 30 FFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000825631551 601331522 /nfs/dbraw/zinc/33/15/22/601331522.db2.gz FSOMZXXHOPDZKJ-LFYBBSHMSA-N -1 0 357.387 2.597 20 30 FFEDRM COc1ccc(/C=C\C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832281941 601343971 /nfs/dbraw/zinc/34/39/71/601343971.db2.gz PLUWYFIWTQEOHX-FUKPKEADSA-N -1 0 367.357 2.958 20 30 FFEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833077501 601347189 /nfs/dbraw/zinc/34/71/89/601347189.db2.gz UUJIFQNLFAZVKJ-SFHVURJKSA-N -1 0 364.357 2.668 20 30 FFEDRM COc1cccc(CO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832554893 601349276 /nfs/dbraw/zinc/34/92/76/601349276.db2.gz YNEYFYORWAFPJY-UGSOOPFHSA-N -1 0 369.373 2.841 20 30 FFEDRM CCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828570830 601349930 /nfs/dbraw/zinc/34/99/30/601349930.db2.gz ZPGDLGWFCDHZKN-KRWDZBQOSA-N -1 0 352.346 2.889 20 30 FFEDRM C=CC[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccncc1 ZINC000825664749 601362626 /nfs/dbraw/zinc/36/26/26/601362626.db2.gz KGDAZJVKGNPSNJ-HNNXBMFYSA-N -1 0 373.796 2.805 20 30 FFEDRM N#Cc1c[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000833067823 601435532 /nfs/dbraw/zinc/43/55/32/601435532.db2.gz HJOOGBFXUKSKTO-LBPRGKRZSA-N -1 0 362.183 2.595 20 30 FFEDRM N#Cc1c[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC000833068371 601437376 /nfs/dbraw/zinc/43/73/76/601437376.db2.gz VIHPSSVXVDJQFB-LBPRGKRZSA-N -1 0 367.283 2.731 20 30 FFEDRM CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccc(C(=O)[O-])[nH]2)C1=O ZINC000829833280 601445034 /nfs/dbraw/zinc/44/50/34/601445034.db2.gz ZNZSOQPWIOTRHP-GXDHUFHOSA-N -1 0 368.345 2.540 20 30 FFEDRM Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833059392 601445479 /nfs/dbraw/zinc/44/54/79/601445479.db2.gz ZMXUKBDYFGKWFA-WEVVVXLNSA-N -1 0 351.362 2.922 20 30 FFEDRM N#Cc1ccc(Oc2ccc(OS(=O)(=O)CCCC(=O)[O-])cc2)cc1 ZINC000833071364 601478104 /nfs/dbraw/zinc/47/81/04/601478104.db2.gz IRXZYJFSZUEUIW-UHFFFAOYSA-N -1 0 361.375 2.924 20 30 FFEDRM N#Cc1ccccc1COc1cccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC000833074810 601593918 /nfs/dbraw/zinc/59/39/18/601593918.db2.gz DRNKCHGLJLBGDQ-GOSISDBHSA-N -1 0 350.374 2.730 20 30 FFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000832859541 601679095 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0 371.437 2.685 20 30 FFEDRM COC(=O)c1cc(/C=C2/CSC/C(=C\c3c[nH]c(C(=O)[O-])c3)C2=O)c[nH]1 ZINC000831247230 601791766 /nfs/dbraw/zinc/79/17/66/601791766.db2.gz AHHCLZDDFNGIBY-ZVOISHJUSA-N -1 0 372.402 2.611 20 30 FFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(S(=O)(=O)CC(F)F)cc2)c[nH]1 ZINC000833092813 601794068 /nfs/dbraw/zinc/79/40/68/601794068.db2.gz NYWBQJUWEBATEG-LZCJLJQNSA-N -1 0 369.345 2.648 20 30 FFEDRM Cc1nc(NC(=O)C2CCC(NC(=O)[O-])CC2)sc1SCC#N ZINC000740223892 601953448 /nfs/dbraw/zinc/95/34/48/601953448.db2.gz UIUFTBAFCUNSHX-UHFFFAOYSA-N -1 0 354.457 2.832 20 30 FFEDRM C[C@@H](NC(=O)NCc1ccc(CCNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000738981983 602020794 /nfs/dbraw/zinc/02/07/94/602020794.db2.gz RDXMLMRYUHDAGD-CQSZACIVSA-N -1 0 366.421 2.929 20 30 FFEDRM C[C@@H](Oc1ccc(C=NN(C)C(=S)NCc2ccccc2)cc1)C(=O)[O-] ZINC000794871068 602068158 /nfs/dbraw/zinc/06/81/58/602068158.db2.gz DQKVVHVJGAKKQD-CQSZACIVSA-N -1 0 371.462 2.879 20 30 FFEDRM N#Cc1ccc(CN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])C2CC2)cc1 ZINC000740313225 602077053 /nfs/dbraw/zinc/07/70/53/602077053.db2.gz RKRXSBSVUGRIAA-QGZVFWFLSA-N -1 0 356.426 2.765 20 30 FFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000740313970 602083375 /nfs/dbraw/zinc/08/33/75/602083375.db2.gz BOAFVSPQGDMZBX-DLBZAZTESA-N -1 0 356.426 2.622 20 30 FFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000740313984 602083421 /nfs/dbraw/zinc/08/34/21/602083421.db2.gz BOAFVSPQGDMZBX-SJORKVTESA-N -1 0 356.426 2.622 20 30 FFEDRM C=CCCCCCN(C)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000825671415 602214902 /nfs/dbraw/zinc/21/49/02/602214902.db2.gz PAIXMGNPHDZKOW-UHFFFAOYSA-N -1 0 368.455 2.998 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000738433542 602236048 /nfs/dbraw/zinc/23/60/48/602236048.db2.gz HVTSWMASJXRDKX-HNNXBMFYSA-N -1 0 369.377 2.602 20 30 FFEDRM O=C([O-])C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000833265363 602392077 /nfs/dbraw/zinc/39/20/77/602392077.db2.gz YCQPXEBVTLKLHX-HNNXBMFYSA-N -1 0 371.776 2.752 20 30 FFEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000738800733 602407268 /nfs/dbraw/zinc/40/72/68/602407268.db2.gz PPMMDBATUZVAKO-RDTXWAMCSA-N -1 0 373.453 2.856 20 30 FFEDRM COc1cc(C#N)ccc1OCc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000739853655 602409678 /nfs/dbraw/zinc/40/96/78/602409678.db2.gz WAPJAKREPDWWRZ-LBPRGKRZSA-N -1 0 360.370 2.884 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740253899 602412854 /nfs/dbraw/zinc/41/28/54/602412854.db2.gz RPBVHZBFURHXAD-UHFFFAOYSA-N -1 0 372.429 2.619 20 30 FFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000739057783 602429949 /nfs/dbraw/zinc/42/99/49/602429949.db2.gz WFKLTRLIBZGHDU-BIENJYKASA-N -1 0 359.426 2.658 20 30 FFEDRM C[C@H](NC(=O)[O-])C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000739022696 602446908 /nfs/dbraw/zinc/44/69/08/602446908.db2.gz DTBGJHKBWNAGPP-NSHDSACASA-N -1 0 364.833 2.518 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN2CCC(N(C)C(=O)[O-])CC2)c1=S ZINC000737537974 602527878 /nfs/dbraw/zinc/52/78/78/602527878.db2.gz WSSFLNQLWQQFAI-UHFFFAOYSA-N -1 0 351.476 2.509 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737532486 602529543 /nfs/dbraw/zinc/52/95/43/602529543.db2.gz PDVWNIMHZRULRA-CQSZACIVSA-N -1 0 365.499 2.725 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000738221990 602534504 /nfs/dbraw/zinc/53/45/04/602534504.db2.gz KJVRKYZANWYLNR-UHFFFAOYSA-N -1 0 372.469 2.624 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)COCCNC(=O)[O-])cc2)cc1 ZINC000740321332 602663445 /nfs/dbraw/zinc/66/34/45/602663445.db2.gz HKAXRCAZQQENCU-UHFFFAOYSA-N -1 0 355.350 2.573 20 30 FFEDRM N#C[C@H](C(=O)c1csc(CNC(=O)[O-])n1)c1ccc2ccccc2n1 ZINC000740304691 602728204 /nfs/dbraw/zinc/72/82/04/602728204.db2.gz WXLDGMVHOZFEHW-NSHDSACASA-N -1 0 352.375 2.949 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000740028196 602728415 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C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC)C(=O)[O-] ZINC000864185726 730829165 /nfs/dbraw/zinc/82/91/65/730829165.db2.gz AHQIDAZUJJIZBI-YUTCNCBUSA-N -1 0 353.802 2.519 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C(=O)[O-] ZINC000864185046 730829170 /nfs/dbraw/zinc/82/91/70/730829170.db2.gz VKYLTKIHNIUOIE-KCJUWKMLSA-N -1 0 350.173 2.958 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)C(=O)[O-] ZINC000864521137 730856260 /nfs/dbraw/zinc/85/62/60/730856260.db2.gz LDKIBXJBTTZXHB-IUODEOHRSA-N -1 0 369.824 2.547 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864524025 730856554 /nfs/dbraw/zinc/85/65/54/730856554.db2.gz AQPXILCIOHCNBD-JTQLQIEISA-N -1 0 359.879 2.878 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCCOc2cc(F)ccc21)C(=O)[O-] ZINC000864526901 730857190 /nfs/dbraw/zinc/85/71/90/730857190.db2.gz SKPUAMSIBDPCFS-CHWSQXEVSA-N -1 0 356.781 2.934 20 30 FFEDRM N#Cc1cccc([C@H]([N-]S(=O)(=O)C[C@@H]2CCCCO2)C(F)(F)F)c1 ZINC000867898140 731239823 /nfs/dbraw/zinc/23/98/23/731239823.db2.gz BDPXCWGXUNARLL-KBPBESRZSA-N -1 0 362.373 2.650 20 30 FFEDRM COC(C)(C)CS(=O)(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867899414 731240153 /nfs/dbraw/zinc/24/01/53/731240153.db2.gz ZZSHJYOJTFWAAM-GFCCVEGCSA-N -1 0 350.362 2.506 20 30 FFEDRM C=CCCOCC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000653670248 731283111 /nfs/dbraw/zinc/28/31/11/731283111.db2.gz SCRRPIKBTODMHY-UHFFFAOYSA-N -1 0 370.243 2.845 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)[C@@H]2CCCCO2)n1 ZINC000869715141 731431285 /nfs/dbraw/zinc/43/12/85/731431285.db2.gz MSVDFUPDPALRPR-OCCSQVGLSA-N -1 0 350.440 2.766 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)OCC ZINC000870032395 731464857 /nfs/dbraw/zinc/46/48/57/731464857.db2.gz JEWMXFYMTIRLLK-LLVKDONJSA-N -1 0 350.173 2.989 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(Cl)cccc2nc1C ZINC000870135074 731473489 /nfs/dbraw/zinc/47/34/89/731473489.db2.gz YDKUKMZIMOYSNA-CQSZACIVSA-N -1 0 359.813 2.672 20 30 FFEDRM 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Cc1cccc(C#N)c1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000872353998 731754939 /nfs/dbraw/zinc/75/49/39/731754939.db2.gz TWFMDLOVCHHGDO-KRWDZBQOSA-N -1 0 358.419 2.835 20 30 FFEDRM C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(C(C)C)c1 ZINC000873583576 731938800 /nfs/dbraw/zinc/93/88/00/731938800.db2.gz SOMJJIGMWYNAMP-UHFFFAOYSA-N -1 0 355.456 2.606 20 30 FFEDRM C[C@H]1CCN(Cc2cc(C#N)cnc2Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000877533745 732382956 /nfs/dbraw/zinc/38/29/56/732382956.db2.gz RJVOGYVHZNNQFL-KWBADKCTSA-N -1 0 374.794 2.884 20 30 FFEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(OCCC)c(C(C)C)c1)C(=O)[O-] ZINC000663284951 732408767 /nfs/dbraw/zinc/40/87/67/732408767.db2.gz AGJDYVKDIFLTAO-OAHLLOKOSA-N -1 0 355.456 2.906 20 30 FFEDRM CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000882723348 733279387 /nfs/dbraw/zinc/27/93/87/733279387.db2.gz WZBWTZUJQXIOGS-UHFFFAOYSA-N -1 0 374.344 2.554 20 30 FFEDRM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000882845819 733302874 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C=CCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1)c1ccccc1 ZINC000893121698 734654619 /nfs/dbraw/zinc/65/46/19/734654619.db2.gz QKQOJTCWWNYKCZ-KRWDZBQOSA-N -1 0 361.467 2.506 20 30 FFEDRM Cc1nnc(N=NC(C)Cc2ccc(Br)cc2F)[n-]c1=O ZINC000730946458 734658441 /nfs/dbraw/zinc/65/84/41/734658441.db2.gz XCWWDIMTHVPOLR-UHFFFAOYSA-N -1 0 354.183 2.818 20 30 FFEDRM CC(C)NC(=O)CNC(=S)[N-]c1ccccc1SC[C@H](C)C#N ZINC000730954667 734658845 /nfs/dbraw/zinc/65/88/45/734658845.db2.gz GXYAOQTUZFLNNN-GFCCVEGCSA-N -1 0 350.513 2.749 20 30 FFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)cc1 ZINC000730996698 734661987 /nfs/dbraw/zinc/66/19/87/734661987.db2.gz YWSVFYWAXQYOJT-UHFFFAOYSA-N -1 0 359.403 2.594 20 30 FFEDRM CC(C)NC(=O)CNC(=S)[N-]c1ccccc1S[C@H](C)CC#N ZINC000731320740 734674667 /nfs/dbraw/zinc/67/46/67/734674667.db2.gz LVRHEJDBVCXBAP-GFCCVEGCSA-N -1 0 350.513 2.892 20 30 FFEDRM O=C([O-])COc1ccc(CN=Nc2ncccc2Cl)cc1[N+](=O)[O-] ZINC000731558022 734684887 /nfs/dbraw/zinc/68/48/87/734684887.db2.gz 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FFEDRM COc1cccc(Nc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc2)c1 ZINC001594131581 958677430 /nfs/dbraw/zinc/67/74/30/958677430.db2.gz DOXWAWLIKMDHEZ-GOSISDBHSA-N -1 0 354.366 2.777 20 30 FFEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCc3ccccc31)C2 ZINC000873001259 1013341605 /nfs/dbraw/zinc/34/16/05/1013341605.db2.gz IRFYTGLEQMNYKF-AVRDEDQJSA-N -1 0 360.413 2.501 20 30 FFEDRM COc1ccccc1/C(C)=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000255294728 963668993 /nfs/dbraw/zinc/66/89/93/963668993.db2.gz DDONGDYENXEQMC-UVTDQMKNSA-N -1 0 370.430 2.616 20 30 FFEDRM Cc1cc(C(F)(F)F)nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000873499385 1013538279 /nfs/dbraw/zinc/53/82/79/1013538279.db2.gz RJLKXMXOBBTKDM-JTQLQIEISA-N -1 0 364.331 2.612 20 30 FFEDRM CCn1ccc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)c1C ZINC000873498555 1013539004 /nfs/dbraw/zinc/53/90/04/1013539004.db2.gz QIKIIBNGVUQYFP-GOSISDBHSA-N -1 0 353.422 2.506 20 30 FFEDRM CC(C)(C)c1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)co1 ZINC000873523663 1013544743 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FFEDRM COCCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000393042503 972557936 /nfs/dbraw/zinc/55/79/36/972557936.db2.gz XZRFWTNXCBGIOP-UHFFFAOYSA-N -1 0 359.304 2.798 20 30 FFEDRM CC[C@@H](C#N)C(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001603488670 973419584 /nfs/dbraw/zinc/41/95/84/973419584.db2.gz PALUZRKDUWVZFL-GXSJLCMTSA-N -1 0 351.200 2.904 20 30 FFEDRM COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ccc1C#N ZINC001604686524 973883690 /nfs/dbraw/zinc/88/36/90/973883690.db2.gz IJAMVZBXUSCGHL-DLBZAZTESA-N -1 0 350.374 2.507 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000663094715 975040631 /nfs/dbraw/zinc/04/06/31/975040631.db2.gz QRNZUPVPYRRTKS-FQEVSTJZSA-N -1 0 356.422 2.940 20 30 FFEDRM CC(C)Oc1cc(Br)cc(C(=O)N(CC#N)CCC(=O)[O-])c1 ZINC001591751775 975809140 /nfs/dbraw/zinc/80/91/40/975809140.db2.gz FRKQYQIDNVYYCV-UHFFFAOYSA-N -1 0 369.215 2.677 20 30 FFEDRM CC(C)c1sc(NC(=O)C#Cc2ccc3c(c2)OCO3)nc1C(=O)[O-] ZINC001592107664 976886704 /nfs/dbraw/zinc/88/67/04/976886704.db2.gz BDKYDANNAATIGB-UHFFFAOYSA-N -1 0 358.375 2.684 20 30 FFEDRM CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592149957 977020654 /nfs/dbraw/zinc/02/06/54/977020654.db2.gz RZWLMYOWDVEVGL-UHFFFAOYSA-N -1 0 371.397 2.946 20 30 FFEDRM Cc1cc(F)ncc1/C=C/C(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000899343022 977099732 /nfs/dbraw/zinc/09/97/32/977099732.db2.gz MIQATXWKQODMRZ-HWKANZROSA-N -1 0 356.397 2.963 20 30 FFEDRM COc1cc2c(cc1OC)C(=O)/C(=C/c1cc(C(=O)[O-])nn1C)CCC2 ZINC000899389301 977127456 /nfs/dbraw/zinc/12/74/56/977127456.db2.gz GFBXYUMZRHDAGN-KPKJPENVSA-N -1 0 356.378 2.738 20 30 FFEDRM COc1cc(/C=C/C(=O)c2cnn(C3CCC3)c2)ccc1OCC(=O)[O-] ZINC000899406221 977134877 /nfs/dbraw/zinc/13/48/77/977134877.db2.gz JNEALXRBZKSAFR-FNORWQNLSA-N -1 0 356.378 2.976 20 30 FFEDRM C[C@](CC(=O)[O-])(NS(=O)(=O)c1c(C#N)sc2ccccc21)C1CC1 ZINC001592334100 977777223 /nfs/dbraw/zinc/77/72/23/977777223.db2.gz MDKDYRVWODRDNG-MRXNPFEDSA-N -1 0 364.448 2.695 20 30 FFEDRM C[C@@H](CN(C1CC1)S(=O)(=O)c1c(C#N)sc2ccccc21)C(=O)[O-] ZINC001592594222 978529746 /nfs/dbraw/zinc/52/97/46/978529746.db2.gz XWRUQFJNBHZZAZ-JTQLQIEISA-N -1 0 364.448 2.647 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000263132203 980483392 /nfs/dbraw/zinc/48/33/92/980483392.db2.gz WARTUUIQEHVXDZ-GFCCVEGCSA-N -1 0 370.327 2.583 20 30 FFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1 ZINC001595362963 980776900 /nfs/dbraw/zinc/77/69/00/980776900.db2.gz UPUQPZYDEATBGR-OAHLLOKOSA-N -1 0 350.440 2.548 20 30 FFEDRM COc1ccc(NC(=S)NN=C2CCCc3oc(C(=O)[O-])c(C)c32)cn1 ZINC000729640701 981222119 /nfs/dbraw/zinc/22/21/19/981222119.db2.gz IGVOOYNXOLLUSF-UHFFFAOYSA-N -1 0 374.422 2.717 20 30 FFEDRM CC[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001595492158 981253242 /nfs/dbraw/zinc/25/32/42/981253242.db2.gz IZJRCLYQQWOWFA-OLZOCXBDSA-N -1 0 374.441 2.781 20 30 FFEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1 ZINC000067743552 981620662 /nfs/dbraw/zinc/62/06/62/981620662.db2.gz MERWPSPQAABMEZ-QBFSEMIESA-N -1 0 373.434 2.604 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)NCc1cccc(COCC(F)(F)F)c1)C(=O)[O-] ZINC000909130315 981630712 /nfs/dbraw/zinc/63/07/12/981630712.db2.gz LMWYBKIAYIDXQR-CQSZACIVSA-N -1 0 374.359 2.984 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)NCc1cccc(OCC)c1OC(F)F)C(=O)[O-] ZINC000909137933 981637872 /nfs/dbraw/zinc/63/78/72/981637872.db2.gz GDLVJEZSTCMSPC-GFCCVEGCSA-N -1 0 372.368 2.905 20 30 FFEDRM O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCCN(O)C1=O ZINC000877893007 1014756430 /nfs/dbraw/zinc/75/64/30/1014756430.db2.gz ILBWYWBYTUAJLK-QGZVFWFLSA-N -1 0 355.394 2.767 20 30 FFEDRM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)C(=O)NC3CC3)c12 ZINC000129312290 981931823 /nfs/dbraw/zinc/93/18/23/981931823.db2.gz KCCZTSIOEJKLRB-MRXNPFEDSA-N -1 0 373.416 2.545 20 30 FFEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001594823425 981975883 /nfs/dbraw/zinc/97/58/83/981975883.db2.gz BPJOJHOZQRGNDY-FQEVSTJZSA-N -1 0 366.421 2.939 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-] ZINC000910916542 982163315 /nfs/dbraw/zinc/16/33/15/982163315.db2.gz XOLTZUQSGLNXNC-MDZRGWNJSA-N -1 0 374.481 2.835 20 30 FFEDRM CC[C@H](C)C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001594940172 982612876 /nfs/dbraw/zinc/61/28/76/982612876.db2.gz YGIAPNCSKUDHSA-JGGQBBKZSA-N -1 0 361.417 2.529 20 30 FFEDRM CCCc1c(NC(=O)N[C@H](C)CC(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001596050827 983349799 /nfs/dbraw/zinc/34/97/99/983349799.db2.gz OMGMFWSGLKYRRZ-GFCCVEGCSA-N -1 0 355.398 2.681 20 30 FFEDRM C=CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1OC ZINC000911618238 983854649 /nfs/dbraw/zinc/85/46/49/983854649.db2.gz QFNTXVYACFGFFS-FQEVSTJZSA-N -1 0 370.405 2.775 20 30 FFEDRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H](C)N1CC#N ZINC000911696153 983877012 /nfs/dbraw/zinc/87/70/12/983877012.db2.gz BQWPOLFVPKSSBZ-OKILXGFUSA-N -1 0 367.405 2.523 20 30 FFEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1NC(=O)c1ccccc1 ZINC000129516672 984252981 /nfs/dbraw/zinc/25/29/81/984252981.db2.gz XIMIOKIQRDLKAM-QGZVFWFLSA-N -1 0 361.401 2.848 20 30 FFEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cnn(Cc2ccccc2)c1 ZINC000045100239 984396163 /nfs/dbraw/zinc/39/61/63/984396163.db2.gz GORBEJWXJDBAHR-UHFFFAOYSA-N -1 0 373.409 2.905 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCOC(C)(C)[C@H]3C)cc2[n-]c1=S ZINC000764337892 984435721 /nfs/dbraw/zinc/43/57/21/984435721.db2.gz NYYLIBSABWVSJJ-GFCCVEGCSA-N -1 0 373.478 2.511 20 30 FFEDRM COc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000171400899 985281682 /nfs/dbraw/zinc/28/16/82/985281682.db2.gz SMUYUMDFEKIXCU-CQSZACIVSA-N -1 0 372.446 2.707 20 30 FFEDRM Cc1[nH]c(C#N)cc1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001599942179 985468328 /nfs/dbraw/zinc/46/83/28/985468328.db2.gz CPVDOJPTZFTSPE-UHFFFAOYSA-N -1 0 352.394 2.610 20 30 FFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(CC#N)c2)c(C)c1C(=O)[O-] ZINC001599948004 985561542 /nfs/dbraw/zinc/56/15/42/985561542.db2.gz ITNBBEBUNJYMPR-LBPRGKRZSA-N -1 0 354.362 2.824 20 30 FFEDRM Cc1c(C)n(Cc2ccco2)c(NC(=O)CCSCC(=O)[O-])c1C#N ZINC001599974143 986061438 /nfs/dbraw/zinc/06/14/38/986061438.db2.gz MPBMGPSZPMIQMS-UHFFFAOYSA-N -1 0 361.423 2.764 20 30 FFEDRM C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000174147752 986106924 /nfs/dbraw/zinc/10/69/24/986106924.db2.gz BKSRVXCWMGNIRI-CQSZACIVSA-N -1 0 374.437 2.912 20 30 FFEDRM C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)Cn3cc(C(=O)[O-])cn3)sc21 ZINC001594612887 986614896 /nfs/dbraw/zinc/61/48/96/986614896.db2.gz XPJQCGBTUNYPKP-VHSXEESVSA-N -1 0 358.423 2.839 20 30 FFEDRM CC(C)(C)C(=O)Cn1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1 ZINC000682995373 987921378 /nfs/dbraw/zinc/92/13/78/987921378.db2.gz UDYJDOUXXPCFFU-OAHLLOKOSA-N -1 0 361.405 2.932 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000193368132 988239192 /nfs/dbraw/zinc/23/91/92/988239192.db2.gz IXAAXYAJEIMSSE-HNNXBMFYSA-N -1 0 372.425 2.824 20 30 FFEDRM COc1ccc(-n2c(C)cc(C([O-])=C(C#N)C(=O)NC3CC3)c2C)cc1 ZINC000193463185 988414500 /nfs/dbraw/zinc/41/45/00/988414500.db2.gz DSJTXJXKJCDSFM-GOSISDBHSA-N -1 0 351.406 2.704 20 30 FFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1C ZINC000762614714 988522847 /nfs/dbraw/zinc/52/28/47/988522847.db2.gz DLLOXYBBCRBSNR-UHFFFAOYSA-N -1 0 373.434 2.520 20 30 FFEDRM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000193597573 988698889 /nfs/dbraw/zinc/69/88/89/988698889.db2.gz DDCHERKSFUAXJV-UHFFFAOYSA-N -1 0 370.430 2.586 20 30 FFEDRM CCc1nnc(NC[C@H](Cc2ccccc2OC)C(=O)[O-])c(C#N)c1CC ZINC001597734700 989070744 /nfs/dbraw/zinc/07/07/44/989070744.db2.gz FDELTWSRKTWYDA-AWEZNQCLSA-N -1 0 368.437 2.837 20 30 FFEDRM C[C@@H]1C[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)O[C@H]1C(=O)[O-] ZINC001599874089 989395287 /nfs/dbraw/zinc/39/52/87/989395287.db2.gz URFIHBUZPKYJBE-DRBGRCKSSA-N -1 0 357.193 2.552 20 30 FFEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC001599877139 989433630 /nfs/dbraw/zinc/43/36/30/989433630.db2.gz AMXBIBKCAVMOCW-CZUORRHYSA-N -1 0 373.428 2.625 20 30 FFEDRM CCn1c(-c2cncc(C#N)c2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597827344 989484705 /nfs/dbraw/zinc/48/47/05/989484705.db2.gz NSQBABQNNGCNMF-UHFFFAOYSA-N -1 0 362.393 2.566 20 30 FFEDRM CCn1c([C@H](C)CCC#N)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001597840308 989536794 /nfs/dbraw/zinc/53/67/94/989536794.db2.gz OREYPADDVNMZGI-CYBMUJFWSA-N -1 0 353.426 2.966 20 30 FFEDRM CCn1c(N2CCc3ccc(C(=O)[O-])nc3C2)nnc1C(C#N)(CC)CC ZINC001597858748 989622129 /nfs/dbraw/zinc/62/21/29/989622129.db2.gz IMGIUIRNQCOBEH-UHFFFAOYSA-N -1 0 368.441 2.535 20 30 FFEDRM COc1ccc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)cc1CC(=O)[O-] ZINC000915986185 989722079 /nfs/dbraw/zinc/72/20/79/989722079.db2.gz YYTCNCCHGGTWHF-XQRVVYSFSA-N -1 0 367.405 2.609 20 30 FFEDRM CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C12CCC2 ZINC001590374062 989865302 /nfs/dbraw/zinc/86/53/02/989865302.db2.gz DJQDECZSFQKKQQ-KBPBESRZSA-N -1 0 363.458 2.513 20 30 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990627146 /nfs/dbraw/zinc/62/71/46/990627146.db2.gz UVGWTIFROYGPKK-IBGZPJMESA-N -1 0 350.418 2.993 20 30 FFEDRM COCc1ccc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000154987905 990649243 /nfs/dbraw/zinc/64/92/43/990649243.db2.gz RCPCITKSLOHEOH-LJQANCHMSA-N -1 0 366.417 2.523 20 30 FFEDRM CC(C)(NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cc(C(=O)[O-])on1 ZINC001590858453 990746399 /nfs/dbraw/zinc/74/63/99/990746399.db2.gz BPXYLIJSFBJVDS-UHFFFAOYSA-N -1 0 366.333 2.565 20 30 FFEDRM COc1ccccc1C[C@@H](CNC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-] ZINC000923072179 990838841 /nfs/dbraw/zinc/83/88/41/990838841.db2.gz FLJNMODIAQNUOR-QQLBRLPFSA-N -1 0 370.449 2.775 20 30 FFEDRM COc1cccc2c1C/C(=C/c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C2=O ZINC001599689705 991047837 /nfs/dbraw/zinc/04/78/37/991047837.db2.gz LMRJYGRVQNMZLZ-GHXNOFRVSA-N -1 0 369.329 2.889 20 30 FFEDRM CC[C@@H](C)Oc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000175142737 991167377 /nfs/dbraw/zinc/16/73/77/991167377.db2.gz YYYSHIVARZYLBH-CQSZACIVSA-N -1 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360.292 2.615 20 30 FFEDRM O=C([N-][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(F)(F)C(F)F ZINC000855536050 1007410711 /nfs/dbraw/zinc/41/07/11/1007410711.db2.gz MIPZHUUAYCUNQW-QMMMGPOBSA-N -1 0 372.240 2.523 20 30 FFEDRM C=C(C)Cc1ccc(C(=O)Nc2c(C(=O)OC)c[nH]c2C(=O)OC)cc1 ZINC001190216368 1007529093 /nfs/dbraw/zinc/52/90/93/1007529093.db2.gz IEKQDSJNFITMLV-UHFFFAOYSA-N -1 0 356.378 2.959 20 30 FFEDRM C=CCN1CCC2(CCN(C(=O)C=C([O-])c3ccccc3Cl)CC2)C1=O ZINC001273599160 1007584949 /nfs/dbraw/zinc/58/49/49/1007584949.db2.gz CMOPUUFOOQVPTF-UHFFFAOYSA-N -1 0 374.868 2.940 20 30 FFEDRM N#Cc1cc2cccnc2nc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190353660 1007597875 /nfs/dbraw/zinc/59/78/75/1007597875.db2.gz PPLXRNOXJOIRNA-UHFFFAOYSA-N -1 0 364.308 2.720 20 30 FFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnccc2N2CCCCC2)c1 ZINC001190619189 1007704432 /nfs/dbraw/zinc/70/44/32/1007704432.db2.gz ASDOLPLQGMCOJD-UHFFFAOYSA-N -1 0 360.414 2.883 20 30 FFEDRM C#C[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001190594825 1007713941 /nfs/dbraw/zinc/71/39/41/1007713941.db2.gz MKYXISWNSXLIRU-LBPRGKRZSA-N -1 0 354.384 2.757 20 30 FFEDRM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)ccc2O)c1 ZINC001190648355 1007733206 /nfs/dbraw/zinc/73/32/06/1007733206.db2.gz MJLLWZCRYVIIPB-UHFFFAOYSA-N -1 0 371.187 2.966 20 30 FFEDRM Cc1cc2ncc(C)c([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)n2n1 ZINC001190932369 1007836740 /nfs/dbraw/zinc/83/67/40/1007836740.db2.gz GJSMOEBQOHEPDW-UHFFFAOYSA-N -1 0 361.814 2.672 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@]2(c3ccccc3)CCCO2)cc1C#N ZINC000885961603 1007853779 /nfs/dbraw/zinc/85/37/79/1007853779.db2.gz WLCPOWDIUUDZGE-LJQANCHMSA-N -1 0 369.446 2.816 20 30 FFEDRM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccc2n1 ZINC000136405163 1007855754 /nfs/dbraw/zinc/85/57/54/1007855754.db2.gz NGCRCBIRQUUCSH-QGZVFWFLSA-N -1 0 353.422 2.797 20 30 FFEDRM Cc1[nH]nc(C(=O)Nc2[nH]c(=S)[nH]c(=O)c2N=Cc2ccccc2)c1C ZINC001191115893 1007894563 /nfs/dbraw/zinc/89/45/63/1007894563.db2.gz QUPDTJRXLQDVLY-QGMBQPNBSA-N -1 0 368.422 2.814 20 30 FFEDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114848183 1008055889 /nfs/dbraw/zinc/05/58/89/1008055889.db2.gz JBLKIYHBICLXLN-UHFFFAOYSA-N -1 0 372.446 2.853 20 30 FFEDRM C=CCCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000857331353 1008122908 /nfs/dbraw/zinc/12/29/08/1008122908.db2.gz VILMRPDWVQZOIM-KRWDZBQOSA-N -1 0 354.406 2.774 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000819842904 1008238533 /nfs/dbraw/zinc/23/85/33/1008238533.db2.gz WOYWOZJJVGIXAH-FQEVSTJZSA-N -1 0 352.390 2.886 20 30 FFEDRM CC(=O)c1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c(C)nc1C ZINC000777112305 1008530080 /nfs/dbraw/zinc/53/00/80/1008530080.db2.gz NPNCEKHFCSBJDC-HNNXBMFYSA-N -1 0 371.418 2.699 20 30 FFEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000116813766 1008557060 /nfs/dbraw/zinc/55/70/60/1008557060.db2.gz UQOWSSDLCXUJRL-BFUOFWGJSA-N -1 0 370.478 2.664 20 30 FFEDRM CCC(CC)CN(CCC#N)C(=O)c1nc[n-]c(=O)c1Br ZINC001136679350 1008923844 /nfs/dbraw/zinc/92/38/44/1008923844.db2.gz JTBVDNLSNBGMLE-UHFFFAOYSA-N -1 0 355.236 2.737 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c(C)n1C[C@@H]1CCCOC1 ZINC000860478653 1009024310 /nfs/dbraw/zinc/02/43/10/1009024310.db2.gz ZCWVSWJOGOZCMV-LPHOPBHVSA-N -1 0 371.481 2.913 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccc3cnccc32)CCCCC1 ZINC000860657142 1009099937 /nfs/dbraw/zinc/09/99/37/1009099937.db2.gz WQTIFSLNZCKGNB-UHFFFAOYSA-N -1 0 371.462 2.697 20 30 FFEDRM N#Cc1cc(NC(=O)[C@@]2(F)C[C@H]2C(=O)OCc2ccccc2)c([O-])cc1F ZINC001178874094 1009161110 /nfs/dbraw/zinc/16/11/10/1009161110.db2.gz OVZRCYWRGDXNOC-ORAYPTAESA-N -1 0 372.327 2.813 20 30 FFEDRM C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1nn(C)cc1[O-] ZINC001179921978 1009491143 /nfs/dbraw/zinc/49/11/43/1009491143.db2.gz ZSNVYXRGIKXPPV-GFCCVEGCSA-N -1 0 366.377 2.660 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001179926831 1009495328 /nfs/dbraw/zinc/49/53/28/1009495328.db2.gz 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FFEDRM C#CCN1CCC(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC001561939798 1076449844 /nfs/dbraw/zinc/44/98/44/1076449844.db2.gz BZWAANXCAXLBHA-UHFFFAOYSA-N -1 0 361.294 2.678 20 30 FFEDRM C#C[C@@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])[C@H]1CCCO1 ZINC001567814818 1077054244 /nfs/dbraw/zinc/05/42/44/1077054244.db2.gz TYGKZLOFDRXCDA-SJLPKXTDSA-N -1 0 353.422 2.612 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1c(C)c(Br)ccc1O ZINC001569637617 1077156558 /nfs/dbraw/zinc/15/65/58/1077156558.db2.gz ZESXTLYMPLYLCQ-UHFFFAOYSA-N -1 0 362.183 2.996 20 30 FFEDRM C#CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001573312294 1077667314 /nfs/dbraw/zinc/66/73/14/1077667314.db2.gz RCCUJWVDLVGINQ-KRWDZBQOSA-N -1 0 352.390 2.906 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001573320469 1077669725 /nfs/dbraw/zinc/66/97/25/1077669725.db2.gz LMZTYFLUAODFAN-UHFFFAOYSA-N -1 0 369.396 2.576 20 30 FFEDRM C=CCOCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001573337910 1077673518 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0 366.421 2.794 20 30 FFEDRM CC(C)(NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(C#N)c1 ZINC001573919367 1077846970 /nfs/dbraw/zinc/84/69/70/1077846970.db2.gz ANCIPYYLZGDFRU-UHFFFAOYSA-N -1 0 350.357 2.543 20 30 FFEDRM CC(C)c1c(Nc2cnc(C#N)c(-c3nnn[n-]3)n2)cnn1-c1ccccc1 ZINC001574403034 1077980397 /nfs/dbraw/zinc/98/03/97/1077980397.db2.gz OTAWALLVQRGFKB-UHFFFAOYSA-N -1 0 372.396 2.581 20 30 FFEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(C(=O)[O-])nc2)nc1 ZINC001574488189 1078000943 /nfs/dbraw/zinc/00/09/43/1078000943.db2.gz MLYJBXLQWOGHHX-UHFFFAOYSA-N -1 0 358.357 2.893 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1(C)C ZINC001587208922 1079754763 /nfs/dbraw/zinc/75/47/63/1079754763.db2.gz SSFUXDIVIMYVNI-GJZGRUSLSA-N -1 0 359.426 2.908 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC001587953971 1079899115 /nfs/dbraw/zinc/89/91/15/1079899115.db2.gz JHDBUXXEAMWKJO-ZDUSSCGKSA-N -1 0 353.403 2.645 20 30 FFEDRM C#C[C@H](CCC)NC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588369732 1079995045 /nfs/dbraw/zinc/99/50/45/1079995045.db2.gz UTRPZQAZTKZZNZ-GFCCVEGCSA-N -1 0 353.216 2.748 20 30 FFEDRM C#C[C@@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001588372915 1079996570 /nfs/dbraw/zinc/99/65/70/1079996570.db2.gz VRGOZLAMGLJOGB-HZSPNIEDSA-N -1 0 354.328 2.656 20 30 FFEDRM C#C[C@H](NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1)c1ccc(F)cc1 ZINC001588376751 1079997695 /nfs/dbraw/zinc/99/76/95/1079997695.db2.gz GMUUKOWZHGTEEZ-INIZCTEOSA-N -1 0 371.364 2.792 20 30 FFEDRM C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001588375960 1079997756 /nfs/dbraw/zinc/99/77/56/1079997756.db2.gz AHHBCQYSQBBDIE-AWEZNQCLSA-N -1 0 367.785 2.830 20 30 FFEDRM C#CCC(C)(C)c1nnc(N2CCOc3c(cccc3C(=O)[O-])C2)n1CC ZINC001588390030 1080001219 /nfs/dbraw/zinc/00/12/19/1080001219.db2.gz IXJYTGCSKNZDRE-UHFFFAOYSA-N -1 0 368.437 2.696 20 30 FFEDRM C#C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccc(Cl)cc1F ZINC001588388093 1080001517 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FFEDRM C=C(C)C(C)(C)C(=O)Nc1ccc(Br)c(-c2nn[nH]n2)n1 ZINC001588402481 1080010354 /nfs/dbraw/zinc/01/03/54/1080010354.db2.gz HEWGSCKZLNLSCB-UHFFFAOYSA-N -1 0 351.208 2.565 20 30 FFEDRM C#CC[C@@H](NC(=O)CN(Cc1ccco1)c1cccc(Cl)c1)C(=O)[O-] ZINC001588405831 1080011728 /nfs/dbraw/zinc/01/17/28/1080011728.db2.gz UHHOBYFJHVYOMB-MRXNPFEDSA-N -1 0 360.797 2.532 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC001588408234 1080012186 /nfs/dbraw/zinc/01/21/86/1080012186.db2.gz BZPKUONCAJBGCU-UHFFFAOYSA-N -1 0 350.365 2.506 20 30 FFEDRM C#CC[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588405209 1080012294 /nfs/dbraw/zinc/01/22/94/1080012294.db2.gz DWWPYMVWDAGTKI-ZFWWWQNUSA-N -1 0 372.421 2.508 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 ZINC001588411169 1080013897 /nfs/dbraw/zinc/01/38/97/1080013897.db2.gz OKKZQKBTUPBCLS-UKRRQHHQSA-N -1 0 352.394 2.547 20 30 FFEDRM C#CC[C@H](NC(=O)c1csc(-c2ccc(OCCC)cc2)n1)C(=O)[O-] ZINC001588422166 1080021808 /nfs/dbraw/zinc/02/18/08/1080021808.db2.gz SHKMJWYIBMHNMU-AWEZNQCLSA-N -1 0 358.419 2.805 20 30 FFEDRM C#CC[C@H](NS(=O)(=O)c1cccc(Sc2ccccc2)c1)C(=O)[O-] ZINC001588428185 1080022911 /nfs/dbraw/zinc/02/29/11/1080022911.db2.gz FNJFISPFOIZJOX-INIZCTEOSA-N -1 0 361.444 2.593 20 30 FFEDRM C#CC[C@@H](NS(=O)(=O)c1cccc(Sc2ccccc2)c1)C(=O)[O-] ZINC001588428186 1080023459 /nfs/dbraw/zinc/02/34/59/1080023459.db2.gz FNJFISPFOIZJOX-MRXNPFEDSA-N -1 0 361.444 2.593 20 30 FFEDRM C#CCCCCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588446255 1080029625 /nfs/dbraw/zinc/02/96/25/1080029625.db2.gz FGRKBRBKSQWZHK-CQSZACIVSA-N -1 0 356.401 2.799 20 30 FFEDRM C=CC[C@H]1CCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001588457336 1080033989 /nfs/dbraw/zinc/03/39/89/1080033989.db2.gz VOMCSSSIQPKHCG-NSHDSACASA-N -1 0 366.439 2.520 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001588458101 1080034405 /nfs/dbraw/zinc/03/44/05/1080034405.db2.gz KDMGUPCBKVCOGS-CYBMUJFWSA-N -1 0 354.447 2.607 20 30 FFEDRM C#CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H]1CCCc2ccccc21 ZINC001588460186 1080035270 /nfs/dbraw/zinc/03/52/70/1080035270.db2.gz UGRZESGYINYVJY-SCTDSRPQSA-N -1 0 355.434 2.796 20 30 FFEDRM C#CCN(C(=O)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CCCC1 ZINC001588459889 1080036134 /nfs/dbraw/zinc/03/61/34/1080036134.db2.gz NGSXCRUWDCSROX-UHFFFAOYSA-N -1 0 374.462 2.596 20 30 FFEDRM C#CCN(CC)C(=O)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001588468301 1080038964 /nfs/dbraw/zinc/03/89/64/1080038964.db2.gz UMZTZWDTJBUDDP-UHFFFAOYSA-N -1 0 370.430 2.842 20 30 FFEDRM C#CCN(Cc1ccc(F)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588469872 1080039160 /nfs/dbraw/zinc/03/91/60/1080039160.db2.gz QYPNZLZEDDBHMG-MRXNPFEDSA-N -1 0 372.421 2.826 20 30 FFEDRM C#CCOc1ccc(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001588497516 1080060383 /nfs/dbraw/zinc/06/03/83/1080060383.db2.gz KVTIBJVSFKCHQY-UHFFFAOYSA-N -1 0 364.401 2.665 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC001588535546 1080085066 /nfs/dbraw/zinc/08/50/66/1080085066.db2.gz PQVQLOZMQLYXQF-SFHVURJKSA-N -1 0 350.365 2.750 20 30 FFEDRM C=C(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)c(F)c1 ZINC001588535832 1080085094 /nfs/dbraw/zinc/08/50/94/1080085094.db2.gz RKDAGPRFLGJRBC-CQSZACIVSA-N -1 0 357.334 2.852 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588536874 1080085111 /nfs/dbraw/zinc/08/51/11/1080085111.db2.gz VCLLLJHLOLTUCR-MKBNYLNASA-N -1 0 366.389 2.780 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC001588539931 1080086932 /nfs/dbraw/zinc/08/69/32/1080086932.db2.gz GOQQIVWJDQPXRP-CQSZACIVSA-N -1 0 350.787 2.802 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC001588542260 1080088159 /nfs/dbraw/zinc/08/81/59/1080088159.db2.gz UPPRXKLFMXOYQC-MRXNPFEDSA-N -1 0 360.757 2.865 20 30 FFEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001588547855 1080090157 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2.649 20 30 FFEDRM C=CCCC1(CNC(=O)COc2ccccc2-c2nn[nH]n2)CCCC1 ZINC001588578581 1080106573 /nfs/dbraw/zinc/10/65/73/1080106573.db2.gz BQIDQBSIUHKSIP-UHFFFAOYSA-N -1 0 355.442 2.888 20 30 FFEDRM C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588579378 1080107246 /nfs/dbraw/zinc/10/72/46/1080107246.db2.gz ZYIRQFFWAMSWRH-KXBFYZLASA-N -1 0 353.426 2.607 20 30 FFEDRM C=CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001588581804 1080107366 /nfs/dbraw/zinc/10/73/66/1080107366.db2.gz ATEHMWIXKVFCSQ-CABCVRRESA-N -1 0 369.473 2.575 20 30 FFEDRM C[C@@H](C(=O)[O-])N(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)C1CC1 ZINC001588585030 1080110272 /nfs/dbraw/zinc/11/02/72/1080110272.db2.gz UPKBVKNZFIQOAK-ZANVPECISA-N -1 0 355.316 2.809 20 30 FFEDRM C=C(C)Cn1c(-c2nnc(C(C)(C)C)o2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588589273 1080112730 /nfs/dbraw/zinc/11/27/30/1080112730.db2.gz LEPOSVIATMCRHA-GOSISDBHSA-N -1 0 374.445 2.503 20 30 FFEDRM 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C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588597778 1080118371 /nfs/dbraw/zinc/11/83/71/1080118371.db2.gz LPUHLUHHAYNSFO-GFCCVEGCSA-N -1 0 356.417 2.989 20 30 FFEDRM C=C(C)Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001588598902 1080119248 /nfs/dbraw/zinc/11/92/48/1080119248.db2.gz RSEWQRZFZLCCAY-QUCCMNQESA-N -1 0 369.469 2.881 20 30 FFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001588607367 1080121582 /nfs/dbraw/zinc/12/15/82/1080121582.db2.gz BLTITFLACRVCCL-INIZCTEOSA-N -1 0 358.419 2.592 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001588614988 1080122953 /nfs/dbraw/zinc/12/29/53/1080122953.db2.gz GRGRGAOULCHYRT-HNAYVOBHSA-N -1 0 373.497 2.870 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCOc2cc(Br)ccc2C1 ZINC001588618899 1080123832 /nfs/dbraw/zinc/12/38/32/1080123832.db2.gz DUUFYKBZFXZXHH-UHFFFAOYSA-N -1 0 354.200 2.591 20 30 FFEDRM C=CCCc1ccccc1NC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C ZINC001588620808 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C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)[O-])C1 ZINC000629334245 522148902 /nfs/dbraw/zinc/14/89/02/522148902.db2.gz MITQDWNAFBSCEK-SNVBAGLBSA-N -1 0 374.256 2.734 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)cc1C#N ZINC000633168112 522571125 /nfs/dbraw/zinc/57/11/25/522571125.db2.gz GMQJNRDVJMRRRD-INIZCTEOSA-N -1 0 367.430 2.927 20 30 FFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000630302373 522778891 /nfs/dbraw/zinc/77/88/91/522778891.db2.gz CIBKVFNAFIZOKT-QMTHXVAHSA-N -1 0 368.227 2.858 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)C(=O)[O-] ZINC000630322861 522789898 /nfs/dbraw/zinc/78/98/98/522789898.db2.gz XHOVOZOPYUQUIJ-HNNXBMFYSA-N -1 0 371.412 2.958 20 30 FFEDRM O=C([O-])[C@@]1(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)CCCOC1 ZINC000630341996 522803530 /nfs/dbraw/zinc/80/35/30/522803530.db2.gz UMTSXIDSXRCHDV-JOCHJYFZSA-N -1 0 363.413 2.698 20 30 FFEDRM C=CCOc1c(Cl)cc(CNCc2nocc2C(=O)[O-])cc1OC ZINC000630461754 522864069 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COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832623954 601309439 /nfs/dbraw/zinc/30/94/39/601309439.db2.gz XGIXRABPHMDJFY-LJQANCHMSA-N -1 0 351.406 2.515 20 30 FFEDRM COc1ccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832425380 601345847 /nfs/dbraw/zinc/34/58/47/601345847.db2.gz XFAXBXMYQLCPBI-YVEFUNNKSA-N -1 0 355.346 2.703 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(C(F)(F)F)nc2)C(=O)[O-])c1 ZINC000833077344 601347308 /nfs/dbraw/zinc/34/73/08/601347308.db2.gz PVAGJTQRRJYBDF-CYBMUJFWSA-N -1 0 350.252 2.955 20 30 FFEDRM COc1ccc2[nH]cc(CC(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2c1 ZINC000832481762 601349464 /nfs/dbraw/zinc/34/94/64/601349464.db2.gz PUPZIJRJBKGGIS-LJQANCHMSA-N -1 0 364.357 2.960 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)C(=O)[O-])c1 ZINC000833077585 601350512 /nfs/dbraw/zinc/35/05/12/601350512.db2.gz WYJLKPZTHVKAJK-MRXNPFEDSA-N -1 0 365.301 2.930 20 30 FFEDRM COC(=O)[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000831084414 601352942 /nfs/dbraw/zinc/35/29/42/601352942.db2.gz KGHVGXSXYRQAGC-GOSISDBHSA-N -1 0 367.357 2.647 20 30 FFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000830375287 601415843 /nfs/dbraw/zinc/41/58/43/601415843.db2.gz LDQHLLOZLVGFGB-UHFFFAOYSA-N -1 0 357.385 2.873 20 30 FFEDRM CC(C)c1sc(NC(=O)CN(CC#N)CC(=O)[O-])nc1-c1ccccc1 ZINC000827180461 601641830 /nfs/dbraw/zinc/64/18/30/601641830.db2.gz SLCQMSYZEYBTLJ-UHFFFAOYSA-N -1 0 372.450 2.782 20 30 FFEDRM CCOC(=O)c1sc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc1C ZINC000829895209 601644103 /nfs/dbraw/zinc/64/41/03/601644103.db2.gz KEEPGFGUDUZWIQ-BXUZGUMPSA-N -1 0 373.434 2.976 20 30 FFEDRM Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)cc(C)c1OCC(=O)[O-] ZINC000832860269 601684407 /nfs/dbraw/zinc/68/44/07/601684407.db2.gz MCZHIMYEKSCGOR-UHFFFAOYSA-N -1 0 367.405 2.718 20 30 FFEDRM COC[C@](C)(NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(=O)[O-] ZINC000831623837 601692999 /nfs/dbraw/zinc/69/29/99/601692999.db2.gz VNZZCUDUGAGJDL-FQEVSTJZSA-N -1 0 368.389 2.879 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832842731 601905887 /nfs/dbraw/zinc/90/58/87/601905887.db2.gz GXYIANFPYDULRM-RDJZCZTQSA-N -1 0 373.453 2.748 20 30 FFEDRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000739312537 601945471 /nfs/dbraw/zinc/94/54/71/601945471.db2.gz OMGVZAJSZXJUSU-NWDGAFQWSA-N -1 0 354.204 2.566 20 30 FFEDRM CCc1nnc(NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(C#N)c1CC ZINC000830335908 602116050 /nfs/dbraw/zinc/11/60/50/602116050.db2.gz ZSXYXYPUZLJRPR-CYBMUJFWSA-N -1 0 356.401 2.968 20 30 FFEDRM C=CCc1ccccc1OC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C ZINC000738504105 602211835 /nfs/dbraw/zinc/21/18/35/602211835.db2.gz YEQYQUCEGSEYDL-UHFFFAOYSA-N -1 0 370.409 2.849 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832910368 602218387 /nfs/dbraw/zinc/21/83/87/602218387.db2.gz DHUZYZKRXWCQHC-KRWDZBQOSA-N -1 0 372.446 2.997 20 30 FFEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1 ZINC000739295531 602219154 /nfs/dbraw/zinc/21/91/54/602219154.db2.gz IOACJWYNLGCCLQ-LJQANCHMSA-N -1 0 370.409 2.922 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739706153 602230533 /nfs/dbraw/zinc/23/05/33/602230533.db2.gz WJAZMCKDSMCDFO-UHFFFAOYSA-N -1 0 366.421 2.947 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cnc(C(C)C)s1 ZINC000825813338 602233203 /nfs/dbraw/zinc/23/32/03/602233203.db2.gz JWMILDMKDZWSDT-CYBMUJFWSA-N -1 0 363.439 2.671 20 30 FFEDRM Cc1nnc(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)o1 ZINC000833021731 602267774 /nfs/dbraw/zinc/26/77/74/602267774.db2.gz QEPHPHZBPWUDLD-MRXNPFEDSA-N -1 0 363.329 2.899 20 30 FFEDRM Cc1nnc(-c2cccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2)o1 ZINC000833018005 602267871 /nfs/dbraw/zinc/26/78/71/602267871.db2.gz YHFTWHBBCQBPIP-INIZCTEOSA-N -1 0 363.329 2.899 20 30 FFEDRM Cc1cc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC000738200745 602277079 /nfs/dbraw/zinc/27/70/79/602277079.db2.gz BBGBRXMWVOJEQH-INIZCTEOSA-N -1 0 366.421 2.838 20 30 FFEDRM N#CCOc1cc(F)ccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000833068116 602282988 /nfs/dbraw/zinc/28/29/88/602282988.db2.gz PUMHMEJZCXVJDT-AWEZNQCLSA-N -1 0 357.341 2.718 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000740028351 602410723 /nfs/dbraw/zinc/41/07/23/602410723.db2.gz OXJWAMFSHKBEPD-CQSZACIVSA-N -1 0 373.413 2.799 20 30 FFEDRM C[C@H](NC(=O)[O-])C1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000739020453 602445338 /nfs/dbraw/zinc/44/53/38/602445338.db2.gz AAMXJAHYKSKBJB-NSHDSACASA-N -1 0 364.833 2.518 20 30 FFEDRM C=CCOc1ccc(C(=O)N(CCC)[C@@H]2CCN(C(=O)[O-])C2)cc1OC ZINC000738491038 602513725 /nfs/dbraw/zinc/51/37/25/602513725.db2.gz HNCHHAHGXNJNFU-OAHLLOKOSA-N -1 0 362.426 2.865 20 30 FFEDRM CCCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739351646 602517048 /nfs/dbraw/zinc/51/70/48/602517048.db2.gz SYSZXVLQTSVOPL-INIZCTEOSA-N -1 0 361.467 2.782 20 30 FFEDRM COc1cccc([C@@H](C#N)NC(=O)c2cccc(NC(=O)[O-])c2)c1OC ZINC000738091389 602519346 /nfs/dbraw/zinc/51/93/46/602519346.db2.gz YVCSVSPCENZJLF-CQSZACIVSA-N -1 0 355.350 2.788 20 30 FFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NCCCN(C(=O)[O-])C2CC2)c1 ZINC000740318724 602596887 /nfs/dbraw/zinc/59/68/87/602596887.db2.gz DCVHMJWXDKESHZ-UHFFFAOYSA-N -1 0 368.340 2.814 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000739706089 602638391 /nfs/dbraw/zinc/63/83/91/602638391.db2.gz UUJCSZPMDHODJT-KRWDZBQOSA-N -1 0 358.442 2.916 20 30 FFEDRM CC(C)(CCC(=O)N[C@H](C#N)c1ccc(Br)cc1)NC(=O)[O-] ZINC000738743180 602822258 /nfs/dbraw/zinc/82/22/58/602822258.db2.gz LOGHFYRTFOIDBC-GFCCVEGCSA-N -1 0 368.231 2.956 20 30 FFEDRM CC(C)(CCC(=O)N[C@H](C#N)c1cccc(Br)c1)NC(=O)[O-] ZINC000738743329 602827842 /nfs/dbraw/zinc/82/78/42/602827842.db2.gz MKXGBEMBFZUHDJ-GFCCVEGCSA-N -1 0 368.231 2.956 20 30 FFEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])cc1 ZINC000740309735 602845445 /nfs/dbraw/zinc/84/54/45/602845445.db2.gz NBTNRPIAWVNEFU-MSOLQXFVSA-N -1 0 365.389 2.659 20 30 FFEDRM N#C[C@@H](NC(=O)c1csc(CNC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000740303945 602849266 /nfs/dbraw/zinc/84/92/66/602849266.db2.gz NWBDRNQSRZYNLQ-SNVBAGLBSA-N -1 0 350.787 2.559 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(CNC(=O)[O-])CC2)c1 ZINC000739208888 603039037 /nfs/dbraw/zinc/03/90/37/603039037.db2.gz LZVGMTZRVFVNPZ-MRXNPFEDSA-N -1 0 374.441 2.557 20 30 FFEDRM N#C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000739068212 603104324 /nfs/dbraw/zinc/10/43/24/603104324.db2.gz BSHLYDIBRQRMEG-SFHVURJKSA-N -1 0 364.405 2.627 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740102671 603182414 /nfs/dbraw/zinc/18/24/14/603182414.db2.gz FBUUYIADZGWQNF-UHFFFAOYSA-N -1 0 357.391 2.708 20 30 FFEDRM N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738435745 603183545 /nfs/dbraw/zinc/18/35/45/603183545.db2.gz SMJODWBSJRBBEE-UHFFFAOYSA-N -1 0 365.389 2.573 20 30 FFEDRM N#Cc1cccc(NC(=O)CNc2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000740323012 603234493 /nfs/dbraw/zinc/23/44/93/603234493.db2.gz JJLPNSUZUHNONM-UHFFFAOYSA-N -1 0 350.378 2.645 20 30 FFEDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000738931871 603390460 /nfs/dbraw/zinc/39/04/60/603390460.db2.gz FSJCYQYOKZGKBZ-AWEZNQCLSA-N -1 0 367.405 2.865 20 30 FFEDRM N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)c2)c1 ZINC000740323521 603391502 /nfs/dbraw/zinc/39/15/02/603391502.db2.gz QHKSWPQJGMFXHM-QGZVFWFLSA-N -1 0 365.389 2.619 20 30 FFEDRM N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCN(C(=O)[O-])C3)c2)c1 ZINC000740323517 603391541 /nfs/dbraw/zinc/39/15/41/603391541.db2.gz QHKSWPQJGMFXHM-KRWDZBQOSA-N -1 0 365.389 2.619 20 30 FFEDRM C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000823455873 603418690 /nfs/dbraw/zinc/41/86/90/603418690.db2.gz HPTUPALIWRMQQG-UHFFFAOYSA-N -1 0 351.362 2.700 20 30 FFEDRM CN(Cc1cccc(C#N)c1)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000828365710 603462209 /nfs/dbraw/zinc/46/22/09/603462209.db2.gz DDKJOLJPTRQPSB-SFHVURJKSA-N -1 0 351.406 2.786 20 30 FFEDRM O=C([O-])Nc1ccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cn1 ZINC000832840612 603486112 /nfs/dbraw/zinc/48/61/12/603486112.db2.gz KMQHRMDDKINGDK-UHFFFAOYSA-N -1 0 369.406 2.704 20 30 FFEDRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000827870844 603520432 /nfs/dbraw/zinc/52/04/32/603520432.db2.gz GCZDXOUZKNUDAB-CQSZACIVSA-N -1 0 369.377 2.555 20 30 FFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000830128585 603563052 /nfs/dbraw/zinc/56/30/52/603563052.db2.gz DTRYHYFBSAJSCN-UHFFFAOYSA-N -1 0 366.377 2.992 20 30 FFEDRM CCN(CC1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1)C(=O)[O-] ZINC000827055269 603747230 /nfs/dbraw/zinc/74/72/30/603747230.db2.gz LAYGMZHLJJUWGO-AWEZNQCLSA-N -1 0 359.426 2.564 20 30 FFEDRM CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000824029486 603771535 /nfs/dbraw/zinc/77/15/35/603771535.db2.gz HFMJRQPKDLYIKH-UHFFFAOYSA-N -1 0 372.381 2.724 20 30 FFEDRM N#CCOc1ccc(COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000831109828 603805756 /nfs/dbraw/zinc/80/57/56/603805756.db2.gz WLNRIDQJFBGMFD-MQVJKMGUSA-N -1 0 358.394 2.943 20 30 FFEDRM N#CCOc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000831102361 603876446 /nfs/dbraw/zinc/87/64/46/603876446.db2.gz HUDBLMWUTILDSG-MQVJKMGUSA-N -1 0 357.410 2.516 20 30 FFEDRM N#Cc1ccc(F)c(CNC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000831132334 603901996 /nfs/dbraw/zinc/90/19/96/603901996.db2.gz UXFAISAAXISGCP-KRWDZBQOSA-N -1 0 374.416 2.761 20 30 FFEDRM N#C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(OC(F)(F)F)cc1 ZINC000831070478 603975903 /nfs/dbraw/zinc/97/59/03/603975903.db2.gz LPAOAGUEOZJIFH-WZRBSPASSA-N -1 0 371.315 2.702 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2 ZINC000825609571 604000456 /nfs/dbraw/zinc/00/04/56/604000456.db2.gz ARUIKFRVAAROIO-SNVBAGLBSA-N -1 0 369.333 2.783 20 30 FFEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000829604963 604011233 /nfs/dbraw/zinc/01/12/33/604011233.db2.gz UHLMKELTDZCIQE-PXAZEXFGSA-N -1 0 353.378 2.753 20 30 FFEDRM COc1ccc2sc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)c(C)c2c1 ZINC000829525758 604070796 /nfs/dbraw/zinc/07/07/96/604070796.db2.gz CEZQCVUYSQMRGR-LLVKDONJSA-N -1 0 359.407 2.546 20 30 FFEDRM CCn1c(=O)c2ccccc2nc1N=NC(C)[C@H]1CCCCN1C(=O)[O-] ZINC000827693713 604088610 /nfs/dbraw/zinc/08/86/10/604088610.db2.gz JMMGVTILGILOAP-OAHLLOKOSA-N -1 0 357.414 2.737 20 30 FFEDRM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823711514 604226979 /nfs/dbraw/zinc/22/69/79/604226979.db2.gz CTRMQASDUWJPFX-AWEZNQCLSA-N -1 0 370.453 2.740 20 30 FFEDRM CCN(CC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1)C(=O)[O-] ZINC000827080158 604229051 /nfs/dbraw/zinc/22/90/51/604229051.db2.gz QBLUFRWDGXEZQF-UHFFFAOYSA-N -1 0 351.353 2.689 20 30 FFEDRM C=CCNC(=O)c1ccccc1NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000823511339 604297529 /nfs/dbraw/zinc/29/75/29/604297529.db2.gz 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982161646 /nfs/dbraw/zinc/16/16/46/982161646.db2.gz UHTCCBCAOVKAHB-QGZVFWFLSA-N -1 0 360.454 2.840 20 30 FFEDRM C=CCOc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccnc2)cc1OC ZINC000911276792 982186605 /nfs/dbraw/zinc/18/66/05/982186605.db2.gz MLIWPECHJGHXGA-UHFFFAOYSA-N -1 0 370.405 2.772 20 30 FFEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1C ZINC000760337487 982366026 /nfs/dbraw/zinc/36/60/26/982366026.db2.gz HXKYKRILRPRJON-UHFFFAOYSA-N -1 0 374.378 2.534 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCc2ccccc23)CCCCC1 ZINC000760402694 982394203 /nfs/dbraw/zinc/39/42/03/982394203.db2.gz WIZQUIYIYSCVCP-PXNSSMCTSA-N -1 0 372.490 2.811 20 30 FFEDRM CCN(C(C)=O)c1nc(C=NNc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC001596177031 983544796 /nfs/dbraw/zinc/54/47/96/983544796.db2.gz QUPQBBAFRRRQDD-UHFFFAOYSA-N -1 0 350.375 2.799 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588786049 984182975 /nfs/dbraw/zinc/18/29/75/984182975.db2.gz MATSFOXFQACDOJ-KGLIPLIRSA-N -1 0 356.463 2.948 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1 ZINC000151135577 984192366 /nfs/dbraw/zinc/19/23/66/984192366.db2.gz JOWXSBQKMWBJJH-UHFFFAOYSA-N -1 0 363.295 2.651 20 30 FFEDRM CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001596582790 984499587 /nfs/dbraw/zinc/49/95/87/984499587.db2.gz IEJAPMKKNPBFJM-KRWDZBQOSA-N -1 0 354.362 2.512 20 30 FFEDRM COc1cc(C(C)=NNC(=S)NCc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000764659989 984617566 /nfs/dbraw/zinc/61/75/66/984617566.db2.gz RNUXCDAWDCHNPK-UHFFFAOYSA-N -1 0 374.422 2.697 20 30 FFEDRM C[C@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1 ZINC000171535620 985304762 /nfs/dbraw/zinc/30/47/62/985304762.db2.gz CGHQFVVSQDZYKX-AWEZNQCLSA-N -1 0 369.446 2.569 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C#N)c2)c1 ZINC000171796419 985404704 /nfs/dbraw/zinc/40/47/04/985404704.db2.gz FQJMGVVKLUJULK-UHFFFAOYSA-N -1 0 372.446 2.921 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 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ZINC000770589145 1000848227 /nfs/dbraw/zinc/84/82/27/1000848227.db2.gz NGBXCBWPSQOZGR-MRXNPFEDSA-N -1 0 365.389 2.861 20 30 FFEDRM COc1ccc(SCCC(=O)C(C#N)=C([O-])c2nccn2C)cc1OC ZINC000770868052 1000932356 /nfs/dbraw/zinc/93/23/56/1000932356.db2.gz BXGCNAURCYGVNM-CYBMUJFWSA-N -1 0 373.434 2.511 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C3(OC)CCC3)cc2[n-]c1=S ZINC000839875959 1001137100 /nfs/dbraw/zinc/13/71/00/1001137100.db2.gz QCEZXLIORRUJET-LBPRGKRZSA-N -1 0 373.478 2.559 20 30 FFEDRM N#Cc1cccc2[nH]nc(NC(=O)c3cc([O-])c(Br)c(O)c3)c21 ZINC001148981278 1001247562 /nfs/dbraw/zinc/24/75/62/1001247562.db2.gz GHPAUNBPFQJNLX-UHFFFAOYSA-N -1 0 373.166 2.861 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1nc(-c2cccc(C)c2)[nH]c1C ZINC000772645210 1001440307 /nfs/dbraw/zinc/44/03/07/1001440307.db2.gz XQDPLYLLQJKCJH-INIZCTEOSA-N -1 0 368.437 2.559 20 30 FFEDRM CC(=O)N(C)c1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cc1 ZINC000786519408 1001596591 /nfs/dbraw/zinc/59/65/91/1001596591.db2.gz MQAKZIHIRBNNOQ-IBGZPJMESA-N -1 0 363.417 2.617 20 30 FFEDRM CC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786532144 1001597645 /nfs/dbraw/zinc/59/76/45/1001597645.db2.gz YWBXYZLKLWKBLY-KRWDZBQOSA-N -1 0 369.808 2.937 20 30 FFEDRM COC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)c1 ZINC000786539709 1001598293 /nfs/dbraw/zinc/59/82/93/1001598293.db2.gz WXLFCTJATLGJFQ-MRXNPFEDSA-N -1 0 370.792 2.765 20 30 FFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)cnn1CC(C)C ZINC000786540080 1001598487 /nfs/dbraw/zinc/59/84/87/1001598487.db2.gz GPROYCKBMBHKCV-KRWDZBQOSA-N -1 0 352.438 2.795 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccc(OCC(F)F)n2)c1 ZINC000786544156 1001601806 /nfs/dbraw/zinc/60/18/06/1001601806.db2.gz VBBMBHANIIPGAC-AWEZNQCLSA-N -1 0 373.359 2.673 20 30 FFEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c1 ZINC000786543122 1001602037 /nfs/dbraw/zinc/60/20/37/1001602037.db2.gz WQRMOYMSXHUDAL-SFHVURJKSA-N -1 0 363.417 2.982 20 30 FFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)ccc1C ZINC000786563969 1001607925 /nfs/dbraw/zinc/60/79/25/1001607925.db2.gz LDBBUKKZCWXQPU-CQSZACIVSA-N -1 0 358.344 2.921 20 30 FFEDRM CC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)c1C ZINC000787075377 1001659205 /nfs/dbraw/zinc/65/92/05/1001659205.db2.gz YOUHRWRMILBXPC-SFHVURJKSA-N -1 0 363.417 2.935 20 30 FFEDRM N#CC(C(=O)NCc1ccc([N+](=O)[O-])cc1)=C([O-])c1ccc2ncccc2c1 ZINC000787056020 1001660714 /nfs/dbraw/zinc/66/07/14/1001660714.db2.gz JGJXCPLWGGITLN-KRWDZBQOSA-N -1 0 374.356 2.782 20 30 FFEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cnc([C@H]2CCCO2)s1 ZINC000787061270 1001661888 /nfs/dbraw/zinc/66/18/88/1001661888.db2.gz RGFAWRWYCFBMMT-LSDHHAIUSA-N -1 0 369.446 2.976 20 30 FFEDRM O=C([O-])COc1ccc(/C=C2\COc3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000788357674 1001793877 /nfs/dbraw/zinc/79/38/77/1001793877.db2.gz AVSSYXVLJNDMQB-KPKJPENVSA-N -1 0 355.302 2.717 20 30 FFEDRM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc([S-])cc1 ZINC001183188323 1002189193 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C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231259461 1037514086 /nfs/dbraw/zinc/51/40/86/1037514086.db2.gz LXQJEUBYYKWWOM-ZDUSSCGKSA-N -1 0 365.386 2.948 20 30 FFEDRM COC(=O)[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC001537168871 1070136092 /nfs/dbraw/zinc/13/60/92/1070136092.db2.gz CHFCWANUNBWTKA-QMMMGPOBSA-N -1 0 361.213 2.936 20 30 FFEDRM C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256410873 1038501849 /nfs/dbraw/zinc/50/18/49/1038501849.db2.gz IIXSUYSONBVAKG-UHFFFAOYSA-N -1 0 355.832 2.528 20 30 FFEDRM C=CC[C@H](NC(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1)C(=O)[O-] ZINC001256441012 1038514728 /nfs/dbraw/zinc/51/47/28/1038514728.db2.gz NBRFSESZNOXDDJ-JTQLQIEISA-N -1 0 362.304 2.787 20 30 FFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2cccc(C)c2)c(C#N)c1C ZINC001256864386 1038639688 /nfs/dbraw/zinc/63/96/88/1038639688.db2.gz MKOPCHYCEHOREJ-UHFFFAOYSA-N -1 0 350.421 2.824 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2C#N)cc1OC ZINC001257104396 1038713089 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N#C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC001543032001 1071362417 /nfs/dbraw/zinc/36/24/17/1071362417.db2.gz PJVPHCKHIOHMRN-MWLCHTKSSA-N -1 0 365.411 2.786 20 30 FFEDRM COc1ccc(-c2nc(SC[C@@H]3COC(C)(C)O3)[n-]c(=O)c2C#N)cc1 ZINC001346803795 1053325964 /nfs/dbraw/zinc/32/59/64/1053325964.db2.gz JQMPTNXPFMUUGF-ZDUSSCGKSA-N -1 0 373.434 2.973 20 30 FFEDRM Cc1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1CC(C)(C)C(C)C ZINC001543248810 1071426378 /nfs/dbraw/zinc/42/63/78/1071426378.db2.gz BIQVGJSMBZKRGJ-UHFFFAOYSA-N -1 0 354.458 2.804 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N=c2cc(C)[nH]c3ccccc32)cc1C#N ZINC001336905258 1054330067 /nfs/dbraw/zinc/33/00/67/1054330067.db2.gz MCYOCPYPIPCVQB-UHFFFAOYSA-N -1 0 350.403 2.912 20 30 FFEDRM C[C@@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1C#N ZINC001337514393 1054808626 /nfs/dbraw/zinc/80/86/26/1054808626.db2.gz LHQQTYQVTYZWDN-CYBMUJFWSA-N -1 0 360.460 2.685 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC001544213996 1071612071 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20 30 FFEDRM C#C[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C(C)C ZINC001448618899 1058798094 /nfs/dbraw/zinc/79/80/94/1058798094.db2.gz DWVYTIUMDCDGIO-GFCCVEGCSA-N -1 0 351.328 2.984 20 30 FFEDRM C=CC(C)(C)Cc1nnc(N(C)Cc2nc(=O)c3sccc3[n-]2)n1C ZINC001519574156 1058842303 /nfs/dbraw/zinc/84/23/03/1058842303.db2.gz USRYAEDBILDODH-UHFFFAOYSA-N -1 0 358.471 2.917 20 30 FFEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC001514691074 1059057098 /nfs/dbraw/zinc/05/70/98/1059057098.db2.gz DIHVVKUXBIGBNM-HNNXBMFYSA-N -1 0 366.808 2.866 20 30 FFEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC001451304247 1059100946 /nfs/dbraw/zinc/10/09/46/1059100946.db2.gz PIGFOGNGLVTWTA-INIZCTEOSA-N -1 0 358.463 2.975 20 30 FFEDRM CC[C@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC001514948652 1059162094 /nfs/dbraw/zinc/16/20/94/1059162094.db2.gz VNVSVPZAFWTARP-AAEUAGOBSA-N -1 0 360.364 2.771 20 30 FFEDRM N#Cc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)nc1 ZINC001453776432 1059409085 /nfs/dbraw/zinc/40/90/85/1059409085.db2.gz SUNNSYBEVBISJO-UHFFFAOYSA-N -1 0 352.350 2.587 20 30 FFEDRM Cc1cc(F)c(C#N)cc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC001455444944 1059787187 /nfs/dbraw/zinc/78/71/87/1059787187.db2.gz NUMREGGRGGKFOE-UHFFFAOYSA-N -1 0 368.393 2.794 20 30 FFEDRM CC(=[NH+][N-]c1ccc(CC(=O)[O-])cc1)c1cccc(N2CCOCC2)c1 ZINC000848415764 1059972868 /nfs/dbraw/zinc/97/28/68/1059972868.db2.gz PPZHTIBMPSIUJJ-UHFFFAOYSA-N -1 0 353.422 2.986 20 30 FFEDRM C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000848465948 1060075633 /nfs/dbraw/zinc/07/56/33/1060075633.db2.gz ITQHVPIKTNAIEL-CHWSQXEVSA-N -1 0 373.423 2.698 20 30 FFEDRM C=CCC[C@H]1CCCN1c1nnc(-c2cc(=O)n(C)[n-]2)n1CCCOCC ZINC001516459910 1060090622 /nfs/dbraw/zinc/09/06/22/1060090622.db2.gz QYPHZZWRHLCHIH-HNNXBMFYSA-N -1 0 374.489 2.746 20 30 FFEDRM Cc1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](C)C1 ZINC001511855934 1060444321 /nfs/dbraw/zinc/44/43/21/1060444321.db2.gz 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C=C(C)CN(C)c1nnc(-c2c[n-]n(CC)c2=O)n1Cc1cccs1 ZINC001525751309 1063404957 /nfs/dbraw/zinc/40/49/57/1063404957.db2.gz NERSLZITMFWDDC-UHFFFAOYSA-N -1 0 358.471 2.989 20 30 FFEDRM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC001556905099 1075787745 /nfs/dbraw/zinc/78/77/45/1075787745.db2.gz LLROADPJSAWOEF-UHFFFAOYSA-N -1 0 362.374 2.821 20 30 FFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC(F)(F)C(F)(F)F ZINC001557251963 1075827719 /nfs/dbraw/zinc/82/77/19/1075827719.db2.gz PFIYIATVXCLFHI-BQBZGAKWSA-N -1 0 370.240 2.632 20 30 FFEDRM C=CCn1cc(CNS(=O)(=O)c2c(Cl)ccc(C)c2Cl)nn1 ZINC001561675100 1076405764 /nfs/dbraw/zinc/40/57/64/1076405764.db2.gz BPVWKSGJZCSHGH-UHFFFAOYSA-N -1 0 361.254 2.558 20 30 FFEDRM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1F ZINC001561680319 1076406354 /nfs/dbraw/zinc/40/63/54/1076406354.db2.gz CJHOTPOENNQLIH-MRXNPFEDSA-N -1 0 366.801 2.959 20 30 FFEDRM Cc1ccccc1[C@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)[C@H](C)CO1 ZINC001565792335 1076766439 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C[C@@](CNC(=O)NCc1cc(C#N)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001573599863 1077751779 /nfs/dbraw/zinc/75/17/79/1077751779.db2.gz SVFGKPDLVODHSK-IBGZPJMESA-N -1 0 355.369 2.539 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1C#N ZINC001573900134 1077840804 /nfs/dbraw/zinc/84/08/04/1077840804.db2.gz MWAFCFCEGRCHKW-HNNXBMFYSA-N -1 0 359.382 2.956 20 30 FFEDRM CO[C@H](C(=O)[O-])C(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC001574101997 1077900373 /nfs/dbraw/zinc/90/03/73/1077900373.db2.gz PBVZLLUSGMPHRP-INIZCTEOSA-N -1 0 358.781 2.844 20 30 FFEDRM N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001574488780 1078001387 /nfs/dbraw/zinc/00/13/87/1078001387.db2.gz FJKIUPKTXKTHOD-CALCHBBNSA-N -1 0 350.374 2.730 20 30 FFEDRM C#C[C@H](NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588370980 1079995314 /nfs/dbraw/zinc/99/53/14/1079995314.db2.gz SMOURPIUYWUEQT-HNNXBMFYSA-N -1 0 370.792 2.776 20 30 FFEDRM C#C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001588375630 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C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1Cl ZINC001588582053 1080107698 /nfs/dbraw/zinc/10/76/98/1080107698.db2.gz FZFURUYBSPHRKM-LBPRGKRZSA-N -1 0 367.862 2.639 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCCCN2C)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588590805 1080114240 /nfs/dbraw/zinc/11/42/40/1080114240.db2.gz BYPBAHAKASOVFZ-BZUAXINKSA-N -1 0 361.490 2.558 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588592025 1080114309 /nfs/dbraw/zinc/11/43/09/1080114309.db2.gz QBZAMFBMOJZVNQ-ZNMIVQPWSA-N -1 0 364.490 2.871 20 30 FFEDRM C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588599326 1080119226 /nfs/dbraw/zinc/11/92/26/1080119226.db2.gz YLKQMTGUGKBBAO-MRXNPFEDSA-N -1 0 365.437 2.768 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588599049 1080119603 /nfs/dbraw/zinc/11/96/03/1080119603.db2.gz GHNAKGSLLKGPIF-STXHMFSFSA-N -1 0 367.453 2.821 20 30 FFEDRM 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ZINC001588779415 1080192311 /nfs/dbraw/zinc/19/23/11/1080192311.db2.gz XORGRPSCUOREJO-HZPDHXFCSA-N -1 0 369.425 2.640 20 30 FFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccccc2Br)o1 ZINC001588781967 1080193371 /nfs/dbraw/zinc/19/33/71/1080193371.db2.gz OINCMLXLGQYDGA-UHFFFAOYSA-N -1 0 362.191 2.762 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC001588793815 1080198817 /nfs/dbraw/zinc/19/88/17/1080198817.db2.gz BYHALXCTRYSJDP-FZKQIMNGSA-N -1 0 356.463 2.996 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)C(=O)[O-] ZINC001588798225 1080200833 /nfs/dbraw/zinc/20/08/33/1080200833.db2.gz YHNQBHZHFOJXPI-YUSALJHKSA-N -1 0 374.363 2.730 20 30 FFEDRM C=CCCn1cc(CNc2ccc(Br)c(C(=O)[O-])c2)nn1 ZINC001588820165 1080207671 /nfs/dbraw/zinc/20/76/71/1080207671.db2.gz UMHQRGSGVQQURA-UHFFFAOYSA-N -1 0 351.204 2.927 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001588832262 1080211998 /nfs/dbraw/zinc/21/19/98/1080211998.db2.gz 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C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000172197194 510593512 /nfs/dbraw/zinc/59/35/12/510593512.db2.gz LPGXIUZTSXSLPD-UHFFFAOYSA-N -1 0 367.430 2.951 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1C#N ZINC000178600046 510681187 /nfs/dbraw/zinc/68/11/87/510681187.db2.gz VBAGBDXPAHHVIZ-UHFFFAOYSA-N -1 0 352.419 2.912 20 30 FFEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cnc21 ZINC000191508101 510694450 /nfs/dbraw/zinc/69/44/50/510694450.db2.gz CUGFIRCHPGZRDX-ZDUSSCGKSA-N -1 0 360.402 2.977 20 30 FFEDRM Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)s[n-]1 ZINC000329911246 510875954 /nfs/dbraw/zinc/87/59/54/510875954.db2.gz AKGIWONULLWPPG-GHMZBOCLSA-N -1 0 350.469 2.890 20 30 FFEDRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000276964392 510951035 /nfs/dbraw/zinc/95/10/35/510951035.db2.gz DSYZFKIBICTHBV-UHFFFAOYSA-N -1 0 374.256 2.918 20 30 FFEDRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000330889236 511025897 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C=CCC[C@@H](NC(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2)C(=O)[O-] ZINC000425258598 513479891 /nfs/dbraw/zinc/47/98/91/513479891.db2.gz RGRXQBAHXIQZTE-MRXNPFEDSA-N -1 0 371.412 2.958 20 30 FFEDRM COc1cc(NC(C)=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000435134125 513519097 /nfs/dbraw/zinc/51/90/97/513519097.db2.gz VHLKKDDLJJXELY-UHFFFAOYSA-N -1 0 359.407 2.635 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(F)c1 ZINC000435217119 513534468 /nfs/dbraw/zinc/53/44/68/513534468.db2.gz NQKHRWKIMZFIFG-IAOVAPTHSA-N -1 0 360.385 2.843 20 30 FFEDRM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441371226 513554823 /nfs/dbraw/zinc/55/48/23/513554823.db2.gz KDPBSTDNARUNPW-UHFFFAOYSA-N -1 0 359.407 2.635 20 30 FFEDRM COC(=O)COc1c(C)cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1C ZINC000435337440 513560534 /nfs/dbraw/zinc/56/05/34/513560534.db2.gz WCSPJFXVEVUIBV-JYRVWZFOSA-N -1 0 367.405 2.679 20 30 FFEDRM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C2CC2)no1 ZINC000435430259 513582402 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FFEDRM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(F)cc3[O-])C2)c(F)c1 ZINC000436560039 513896573 /nfs/dbraw/zinc/89/65/73/513896573.db2.gz ZUIUFESKQDMWHZ-CQSZACIVSA-N -1 0 357.360 2.941 20 30 FFEDRM N#Cc1ccc(-n2ccc(NC(=O)c3cc(Cl)ccc3[O-])n2)c(F)c1 ZINC000436742040 513963930 /nfs/dbraw/zinc/96/39/30/513963930.db2.gz WOSMXBFFYCVEKE-UHFFFAOYSA-N -1 0 356.744 2.916 20 30 FFEDRM Cc1cn(C)nc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000420232060 514055937 /nfs/dbraw/zinc/05/59/37/514055937.db2.gz LDNINJAQAHADDW-NSHDSACASA-N -1 0 367.434 2.808 20 30 FFEDRM C=CCOc1ccc(Br)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC000414388980 514086286 /nfs/dbraw/zinc/08/62/86/514086286.db2.gz NTKQNTQPSZDVNU-SNVBAGLBSA-N -1 0 364.261 2.791 20 30 FFEDRM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000437399778 514154907 /nfs/dbraw/zinc/15/49/07/514154907.db2.gz ZFEXAUFAOTUFHS-UHFFFAOYSA-N -1 0 366.240 2.555 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc1F ZINC000427279985 514170425 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20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(Cl)nn(C)c2Cl)n1 ZINC000860008684 730472597 /nfs/dbraw/zinc/47/25/97/730472597.db2.gz FDJRLFKTFACRNO-SSDOTTSWSA-N -1 0 373.221 2.525 20 30 FFEDRM N#CC(C(=O)c1cn2c(n1)COCC2)=C([O-])c1cc2c(s1)CCCC2 ZINC000860853153 730553930 /nfs/dbraw/zinc/55/39/30/730553930.db2.gz FAONBQNZNHTWHH-GFCCVEGCSA-N -1 0 355.419 2.559 20 30 FFEDRM C[C@@H]1CC(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000861014489 730567448 /nfs/dbraw/zinc/56/74/48/730567448.db2.gz MHGNPZIBISIDAR-RYUDHWBXSA-N -1 0 352.431 2.716 20 30 FFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](F)CC2CCCCC2)c(F)c1 ZINC000861014335 730567467 /nfs/dbraw/zinc/56/74/67/730567467.db2.gz HTXFPKKRUUNUTD-INIZCTEOSA-N -1 0 370.421 2.952 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000779843774 738488619 /nfs/dbraw/zinc/48/86/19/738488619.db2.gz DCIOJFOHNSNMNR-JTQLQIEISA-N -1 0 365.342 2.826 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000863406434 730777515 /nfs/dbraw/zinc/77/75/15/730777515.db2.gz DBVYKHHXJOOJBB-VIFPVBQESA-N -1 0 374.344 2.531 20 30 FFEDRM C=CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000864136434 730824978 /nfs/dbraw/zinc/82/49/78/730824978.db2.gz ZBICMFQENTULPU-CJNGLKHVSA-N -1 0 352.228 2.826 20 30 FFEDRM C=CCC[C@H](NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)C(=O)[O-] ZINC000864142813 730825407 /nfs/dbraw/zinc/82/54/07/730825407.db2.gz RDVPKLDMBUAFCE-BYNSBNAKSA-N -1 0 364.239 2.870 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000864184836 730829006 /nfs/dbraw/zinc/82/90/06/730829006.db2.gz RYONPBZRWNPYGE-JOYOIKCWSA-N -1 0 358.803 2.787 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000864188640 730829520 /nfs/dbraw/zinc/82/95/20/730829520.db2.gz JBONFVKTMYOAIV-ZENOOKHLSA-N -1 0 366.845 2.626 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)Cc1csc(CCC(F)(F)F)n1)C(=O)[O-] ZINC000864188394 730829554 /nfs/dbraw/zinc/82/95/54/730829554.db2.gz IDYXMIZISZHZNE-VIFPVBQESA-N -1 0 370.780 2.893 20 30 FFEDRM C=CCOCCCC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225587 730834065 /nfs/dbraw/zinc/83/40/65/730834065.db2.gz XLLJXQLZKBPYAW-UHFFFAOYSA-N -1 0 352.456 2.839 20 30 FFEDRM O=c1[nH]c(CN=Cc2cc(Cl)cc(Cl)c2[O-])nc2c1COCC2 ZINC000864349005 730840681 /nfs/dbraw/zinc/84/06/81/730840681.db2.gz RORNGYVKDRGYGY-DVZOWYKESA-N -1 0 354.193 2.886 20 30 FFEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000864348806 730840822 /nfs/dbraw/zinc/84/08/22/730840822.db2.gz PQUATSORPGOTKE-KURMNSRBSA-N -1 0 354.790 2.958 20 30 FFEDRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000864608826 730864611 /nfs/dbraw/zinc/86/46/11/730864611.db2.gz UXQRPMCPOVCXNZ-WFASDCNBSA-N -1 0 355.316 2.668 20 30 FFEDRM N#Cc1c(Cl)cccc1SCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000865362912 730946432 /nfs/dbraw/zinc/94/64/32/730946432.db2.gz JDZOVWVHRXINKN-UHFFFAOYSA-N -1 0 350.749 2.941 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000867353455 731174367 /nfs/dbraw/zinc/17/43/67/731174367.db2.gz YKNSTPSVLSATMO-MNOVXSKESA-N -1 0 372.240 2.817 20 30 FFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000654787550 731394360 /nfs/dbraw/zinc/39/43/60/731394360.db2.gz FIRNGIMMIQGKOI-SSDOTTSWSA-N -1 0 356.202 2.830 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]23C[C@H]2CCCC3)c(C(F)(F)F)c1 ZINC000870170402 731479097 /nfs/dbraw/zinc/47/90/97/731479097.db2.gz WXEORLYAQMXSDM-IAQYHMDHSA-N -1 0 372.368 2.962 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000870830779 731563367 /nfs/dbraw/zinc/56/33/67/731563367.db2.gz FENDMEUNKSTJDQ-UHFFFAOYSA-N -1 0 360.435 2.747 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2cnc(Cc3ccc(F)cc3)s2)CC1 ZINC000870832514 731563710 /nfs/dbraw/zinc/56/37/10/731563710.db2.gz JYWTYUGFQANAFA-UHFFFAOYSA-N -1 0 366.439 2.651 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000870837412 731564109 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/nfs/dbraw/zinc/11/95/50/1080119550.db2.gz FFFUGBFATUXTMY-MRXNPFEDSA-N -1 0 356.426 2.559 20 30 FFEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC001588605919 1080121904 /nfs/dbraw/zinc/12/19/04/1080121904.db2.gz RGZRZVKZUGRAEZ-IUODEOHRSA-N -1 0 354.786 2.941 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001588615136 1080122937 /nfs/dbraw/zinc/12/29/37/1080122937.db2.gz LEDZEYYQEJEMMZ-HNNXBMFYSA-N -1 0 360.458 2.979 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001588619633 1080123730 /nfs/dbraw/zinc/12/37/30/1080123730.db2.gz ZXOGTBLIBLWSOC-SFHVURJKSA-N -1 0 356.463 2.853 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001588629510 1080128300 /nfs/dbraw/zinc/12/83/00/1080128300.db2.gz LOEJTBZTYRCYBZ-UHFFFAOYSA-N -1 0 372.343 2.902 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCOC[C@@H]2C)c(Cl)c1 ZINC001588629404 1080128523 /nfs/dbraw/zinc/12/85/23/1080128523.db2.gz JYCIJULTIWFDJS-LBPRGKRZSA-N -1 0 352.818 2.925 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC001588633619 1080129273 /nfs/dbraw/zinc/12/92/73/1080129273.db2.gz KMYMFLDIRUIHSQ-UHFFFAOYSA-N -1 0 358.316 2.567 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCCOC)c(Br)c1 ZINC001588634386 1080129374 /nfs/dbraw/zinc/12/93/74/1080129374.db2.gz VDIHQTHFRGBGCT-UHFFFAOYSA-N -1 0 372.215 2.834 20 30 FFEDRM CC(C)(C)CC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001588647445 1080137218 /nfs/dbraw/zinc/13/72/18/1080137218.db2.gz GYIYUIAYALDAGX-LLVKDONJSA-N -1 0 357.332 2.981 20 30 FFEDRM CC(C)(C)CC[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)[O-] ZINC001588650185 1080140929 /nfs/dbraw/zinc/14/09/29/1080140929.db2.gz BOCKQMQCKRTYMU-AWEZNQCLSA-N -1 0 370.413 2.540 20 30 FFEDRM C=CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC001588681243 1080152170 /nfs/dbraw/zinc/15/21/70/1080152170.db2.gz SFBRDRFMQZFQBH-UHFFFAOYSA-N -1 0 366.208 2.529 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(CC)CCSC ZINC001588696362 1080159101 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2.990 20 30 FFEDRM C=CC[C@@H](OC(=O)Cc1csc(NC(=O)c2cccs2)n1)C(=O)[O-] ZINC001588754032 1080181370 /nfs/dbraw/zinc/18/13/70/1080181370.db2.gz RMNUIUPBKNRKJM-SNVBAGLBSA-N -1 0 366.420 2.572 20 30 FFEDRM C=CC[C@H](c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCOC)c1ccccc1 ZINC001588762621 1080183848 /nfs/dbraw/zinc/18/38/48/1080183848.db2.gz KXPFZPWQAGRPNA-IRXDYDNUSA-N -1 0 370.453 2.543 20 30 FFEDRM C=CC[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2Br)C1 ZINC001588772628 1080189873 /nfs/dbraw/zinc/18/98/73/1080189873.db2.gz KGYWLZWFCATSHL-SNVBAGLBSA-N -1 0 374.256 2.734 20 30 FFEDRM C=CCCC[C@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588788974 1080196563 /nfs/dbraw/zinc/19/65/63/1080196563.db2.gz TXENVZBTDPMPTP-ZNMIVQPWSA-N -1 0 368.474 2.996 20 30 FFEDRM C=CCCC[C@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588788501 1080196640 /nfs/dbraw/zinc/19/66/40/1080196640.db2.gz DWXMEJYMNVSDAY-CABCVRRESA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCCN(CC)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588801307 1080201725 /nfs/dbraw/zinc/20/17/25/1080201725.db2.gz HMKHVSPORKNODB-UHFFFAOYSA-N -1 0 354.428 2.608 20 30 FFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001588828953 1080209561 /nfs/dbraw/zinc/20/95/61/1080209561.db2.gz VCYDLYHNEWSUTD-UHFFFAOYSA-N -1 0 351.468 2.692 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588828986 1080209643 /nfs/dbraw/zinc/20/96/43/1080209643.db2.gz WYVUEUUICUKVCL-INIZCTEOSA-N -1 0 368.437 2.857 20 30 FFEDRM C=CCN(Cc1cncc(C(=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588831876 1080211857 /nfs/dbraw/zinc/21/18/57/1080211857.db2.gz VEOPIYJQGKQQKB-IBGZPJMESA-N -1 0 368.433 2.942 20 30 FFEDRM C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1=O ZINC001588836762 1080212971 /nfs/dbraw/zinc/21/29/71/1080212971.db2.gz HCAXGBNCWDFJNN-KRWDZBQOSA-N -1 0 367.405 2.789 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001588844413 1080215124 /nfs/dbraw/zinc/21/51/24/1080215124.db2.gz 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C=CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588889406 1080237886 /nfs/dbraw/zinc/23/78/86/1080237886.db2.gz TXANORXMMWFJQK-DLBZAZTESA-N -1 0 368.437 2.687 20 30 FFEDRM C=CCn1c([C@@H](C)[C@H](O)CC)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588895395 1080243769 /nfs/dbraw/zinc/24/37/69/1080243769.db2.gz FBPOKFNRZKCCKL-SUMWQHHRSA-N -1 0 370.453 2.599 20 30 FFEDRM C=CCn1c([C@H](C)[C@@H](O)CC)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588895393 1080244003 /nfs/dbraw/zinc/24/40/03/1080244003.db2.gz FBPOKFNRZKCCKL-DYVFJYSZSA-N -1 0 370.453 2.599 20 30 FFEDRM C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588897454 1080247341 /nfs/dbraw/zinc/24/73/41/1080247341.db2.gz ZEGJZGDTVNDICH-UNEWFSDZSA-N -1 0 362.474 2.889 20 30 FFEDRM C=CCn1c(C2CCC(OC(C)C)CC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588897580 1080247388 /nfs/dbraw/zinc/24/73/88/1080247388.db2.gz ROWHNXLYJFKWLK-PCKAHOCUSA-N -1 0 362.474 2.826 20 30 FFEDRM C=CCn1c([C@@H]2CCCN2C)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588897398 1080247663 /nfs/dbraw/zinc/24/76/63/1080247663.db2.gz QNZNQHRWSIISAU-GJZGRUSLSA-N -1 0 361.490 2.558 20 30 FFEDRM C=CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1[C@@]12CCC=C1OCC2 ZINC001588904402 1080253406 /nfs/dbraw/zinc/25/34/06/1080253406.db2.gz QSIZXQXGRPLALY-HXUWFJFHSA-N -1 0 372.469 2.881 20 30 FFEDRM C=CCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C(C)(C)COC(C)(C)C ZINC001588904571 1080253899 /nfs/dbraw/zinc/25/38/99/1080253899.db2.gz WILGYSDVCLMGEA-SFHVURJKSA-N -1 0 368.453 2.560 20 30 FFEDRM C=CCn1c(Sc2cnc(C(=O)[O-])cn2)nnc1-c1ccc(F)cc1 ZINC001588907187 1080256829 /nfs/dbraw/zinc/25/68/29/1080256829.db2.gz GMLSBBPVGAWPIY-UHFFFAOYSA-N -1 0 357.370 2.910 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588920411 1080266644 /nfs/dbraw/zinc/26/66/44/1080266644.db2.gz ZJNTZLJEFFQQNS-CABCVRRESA-N -1 0 350.440 2.860 20 30 FFEDRM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001588925164 1080270090 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CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442906362 513810839 /nfs/dbraw/zinc/81/08/39/513810839.db2.gz XMAURJBBRKBLLS-UHFFFAOYSA-N -1 0 373.434 2.595 20 30 FFEDRM COC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(OC(F)F)c1 ZINC000442979438 513834127 /nfs/dbraw/zinc/83/41/27/513834127.db2.gz OMOJCBYMLZFTGW-UHFFFAOYSA-N -1 0 362.288 2.904 20 30 FFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)s1 ZINC000431135715 513836246 /nfs/dbraw/zinc/83/62/46/513836246.db2.gz CGKLNEFLRQPAKB-UHFFFAOYSA-N -1 0 359.436 2.618 20 30 FFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000436364412 513838150 /nfs/dbraw/zinc/83/81/50/513838150.db2.gz SLCOBYMTQORPSU-DOTOQJQBSA-N -1 0 372.494 2.962 20 30 FFEDRM COc1cc(CN=c2[n-]nc(CCOc3ccccc3)o2)ccc1C#N ZINC000443060681 513859500 /nfs/dbraw/zinc/85/95/00/513859500.db2.gz POPMVOCZRVDVOZ-UHFFFAOYSA-N -1 0 350.378 2.605 20 30 FFEDRM CC(C)(C)CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(=O)[O-] ZINC000422680412 513900526 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CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000416933347 514053080 /nfs/dbraw/zinc/05/30/80/514053080.db2.gz ARNZEETUIHCJOG-QMMMGPOBSA-N -1 0 356.297 2.933 20 30 FFEDRM CN(CC(C)(C)C#N)C(=O)c1cccc(C(=O)N(C)CC(C)(C)C#N)c1[O-] ZINC000436984428 514062401 /nfs/dbraw/zinc/06/24/01/514062401.db2.gz AYKHXFRYUSYKRO-UHFFFAOYSA-N -1 0 370.453 2.636 20 30 FFEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427208858 514149784 /nfs/dbraw/zinc/14/97/84/514149784.db2.gz JMHULJRXHFYHQS-UHFFFAOYSA-N -1 0 353.350 2.972 20 30 FFEDRM CC(C)CCN(C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N)C1CCCC1 ZINC000437425062 514159250 /nfs/dbraw/zinc/15/92/50/514159250.db2.gz FXQWYXZHMBHSHI-UHFFFAOYSA-N -1 0 359.474 2.513 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1C#N ZINC000427242650 514159626 /nfs/dbraw/zinc/15/96/26/514159626.db2.gz OLCGPWVAWXTLGL-UHFFFAOYSA-N -1 0 356.407 2.721 20 30 FFEDRM CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000427331777 514185028 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CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000507985507 514631865 /nfs/dbraw/zinc/63/18/65/514631865.db2.gz KHZQDKHIQRHYAY-UHFFFAOYSA-N -1 0 361.471 2.870 20 30 FFEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000507984755 514632083 /nfs/dbraw/zinc/63/20/83/514632083.db2.gz MDHUPEBPJBNZMY-UHFFFAOYSA-N -1 0 365.418 2.858 20 30 FFEDRM COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000508058216 514649163 /nfs/dbraw/zinc/64/91/63/514649163.db2.gz SFNMBWQQYSFYSS-UHFFFAOYSA-N -1 0 365.798 2.503 20 30 FFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cn1 ZINC000508130184 514682474 /nfs/dbraw/zinc/68/24/74/514682474.db2.gz YFDADGUONZMBEN-UHFFFAOYSA-N -1 0 354.391 2.701 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccnc(OC(F)F)c2)n1 ZINC000453630086 514738275 /nfs/dbraw/zinc/73/82/75/514738275.db2.gz QFKVYWJKXDNQNI-VIFPVBQESA-N -1 0 367.333 2.806 20 30 FFEDRM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)[nH]1 ZINC000489206010 514752917 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FFEDRM C=CCOc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc1C#N ZINC001167933699 978171271 /nfs/dbraw/zinc/17/12/71/978171271.db2.gz BKKHDQQRWYBOPQ-UHFFFAOYSA-N -1 0 371.333 2.603 20 30 FFEDRM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c(F)cc([O-])cc1F ZINC001271917803 979279583 /nfs/dbraw/zinc/27/95/83/979279583.db2.gz SZNABUQSALTOOT-LJQANCHMSA-N -1 0 364.392 2.844 20 30 FFEDRM CCC(CC)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC001595064550 979326543 /nfs/dbraw/zinc/32/65/43/979326543.db2.gz OJVMBCKEVBDBIR-UHFFFAOYSA-N -1 0 359.426 2.674 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592834268 979574777 /nfs/dbraw/zinc/57/47/77/979574777.db2.gz OKZBPYWXOTTYCB-CYBMUJFWSA-N -1 0 367.405 2.829 20 30 FFEDRM C=CCC[C@@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000262770413 979890961 /nfs/dbraw/zinc/89/09/61/979890961.db2.gz AHSMQMPWBCURLM-CYBMUJFWSA-N -1 0 374.418 2.617 20 30 FFEDRM CC[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595212337 979999155 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FFEDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001597773126 989245089 /nfs/dbraw/zinc/24/50/89/989245089.db2.gz QKMGWXDZJLYOSK-NSHDSACASA-N -1 0 362.407 2.794 20 30 FFEDRM CCn1c(Cc2ccc(C#N)cc2C)nnc1N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001597855444 989607772 /nfs/dbraw/zinc/60/77/72/989607772.db2.gz FDDPTUOIDYFSKF-JLTOFOAXSA-N -1 0 367.453 2.616 20 30 FFEDRM COc1ccc(-n2c(C)cc(C=Nn3c(=O)c(C)n[n-]c3=S)c2C)cc1 ZINC000916303890 989773989 /nfs/dbraw/zinc/77/39/89/989773989.db2.gz SWWSJPRPTGIZNR-UHFFFAOYSA-N -1 0 369.450 2.534 20 30 FFEDRM O=C([O-])c1ccc(N=NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000763368400 989781840 /nfs/dbraw/zinc/78/18/40/989781840.db2.gz MZXZSFJGJFFSCL-UHFFFAOYSA-N -1 0 355.354 2.756 20 30 FFEDRM O=C([O-])c1ccc(N=NCc2cccn2-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000763369893 989783730 /nfs/dbraw/zinc/78/37/30/989783730.db2.gz YQKTXAUKIJNFKS-UHFFFAOYSA-N -1 0 351.322 2.925 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)NC(=O)CCS2 ZINC000916893952 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C#C[C@@H](NS(=O)(=O)c1cccc2c(C(=O)[O-])nccc21)c1ccccc1 ZINC001588376230 1079998034 /nfs/dbraw/zinc/99/80/34/1079998034.db2.gz RABZFYNLBATNCC-MRXNPFEDSA-N -1 0 366.398 2.586 20 30 FFEDRM C#C[C@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588382699 1080000892 /nfs/dbraw/zinc/00/08/92/1080000892.db2.gz SZLRUIUUPKHYMT-ZDUSSCGKSA-N -1 0 353.378 2.718 20 30 FFEDRM C#CC[C@@H](NC(=O)Cc1csc2ccc(Br)cc12)C(=O)[O-] ZINC001588407402 1080012153 /nfs/dbraw/zinc/01/21/53/1080012153.db2.gz HIOFIEBXEAKNAN-GFCCVEGCSA-N -1 0 366.236 2.799 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC001588418408 1080021490 /nfs/dbraw/zinc/02/14/90/1080021490.db2.gz FDMIBPSWDOTVFK-UHFFFAOYSA-N -1 0 350.346 2.908 20 30 FFEDRM C#CC[C@@H](NC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1)C(=O)[O-] ZINC001588421702 1080022305 /nfs/dbraw/zinc/02/23/05/1080022305.db2.gz MZRYMSYNVNDKLY-CYBMUJFWSA-N -1 0 367.430 2.910 20 30 FFEDRM C#CC[C@]1(C(=O)N[C@H](CCCC)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588428701 1080023867 /nfs/dbraw/zinc/02/38/67/1080023867.db2.gz YKKKRLCASVITAF-AUUYWEPGSA-N -1 0 366.458 2.539 20 30 FFEDRM C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)C1 ZINC001588432047 1080025709 /nfs/dbraw/zinc/02/57/09/1080025709.db2.gz WBTBNKIXJGAXER-GBRKPNRJSA-N -1 0 350.484 2.560 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001588445819 1080030198 /nfs/dbraw/zinc/03/01/98/1080030198.db2.gz TWVNMXDFXCKHJD-NSHDSACASA-N -1 0 369.805 2.754 20 30 FFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588456387 1080031921 /nfs/dbraw/zinc/03/19/21/1080031921.db2.gz MPQXDVRMLCHYPB-OCAPTIKFSA-N -1 0 351.823 2.692 20 30 FFEDRM C#CCCOc1ccc(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001588455992 1080032391 /nfs/dbraw/zinc/03/23/91/1080032391.db2.gz YBLPXSQLFZSCNS-UHFFFAOYSA-N -1 0 358.781 2.765 20 30 FFEDRM C=CC[C@]1(C(=O)N(C)C[C@H](C)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588458385 1080033892 /nfs/dbraw/zinc/03/38/92/1080033892.db2.gz UAJJWLZTAZYHFH-SCLBCKFNSA-N -1 0 354.447 2.511 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001588458880 1080034074 /nfs/dbraw/zinc/03/40/74/1080034074.db2.gz WLLHGZBITDKWTC-KKUMJFAQSA-N -1 0 368.474 2.948 20 30 FFEDRM C#CCN(Cc1ccccc1)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588469724 1080038518 /nfs/dbraw/zinc/03/85/18/1080038518.db2.gz OTJWFHOBMUZDBA-UHFFFAOYSA-N -1 0 352.390 2.738 20 30 FFEDRM C#CCNC(=O)c1cccc(-c2noc(-c3ccc(C(=O)[O-])s3)n2)c1 ZINC001588485519 1080051015 /nfs/dbraw/zinc/05/10/15/1080051015.db2.gz UVIDPNUCMZTSSX-UHFFFAOYSA-N -1 0 353.359 2.526 20 30 FFEDRM C#CCOc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001588504529 1080061548 /nfs/dbraw/zinc/06/15/48/1080061548.db2.gz ZOKAFWDEWHWHJM-LJQANCHMSA-N -1 0 353.378 2.605 20 30 FFEDRM C#Cc1cccc(NC(=O)C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001588523226 1080077139 /nfs/dbraw/zinc/07/71/39/1080077139.db2.gz BOVLKAGNILTOSH-UHFFFAOYSA-N -1 0 360.728 2.736 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)[O-] ZINC001588540516 1080087325 /nfs/dbraw/zinc/08/73/25/1080087325.db2.gz IDCYTECURXJPHU-OLZOCXBDSA-N -1 0 356.463 2.852 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CCOc1ccccc1Br)C(=O)[O-] ZINC001588540521 1080087856 /nfs/dbraw/zinc/08/78/56/1080087856.db2.gz IEMNKCRMRNHHIJ-LBPRGKRZSA-N -1 0 356.216 2.754 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CSc1nccn1Cc1ccccc1)C(=O)[O-] ZINC001588543140 1080089166 /nfs/dbraw/zinc/08/91/66/1080089166.db2.gz WTUVOBRMKOHOFQ-OAHLLOKOSA-N -1 0 359.451 2.559 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O)C(=O)[O-] ZINC001588543027 1080089274 /nfs/dbraw/zinc/08/92/74/1080089274.db2.gz CAWAYGYXLYOVOE-IAGOWNOFSA-N -1 0 358.438 2.593 20 30 FFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001588543519 1080089352 /nfs/dbraw/zinc/08/93/52/1080089352.db2.gz NFWCLVCCCAIIQV-UMVBOHGHSA-N -1 0 361.467 2.814 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCCC[C@H]2O)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588591142 1080114548 /nfs/dbraw/zinc/11/45/48/1080114548.db2.gz GKWPACVCKCRGSX-MFCZKXCZSA-N -1 0 374.485 2.564 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588591918 1080114591 /nfs/dbraw/zinc/11/45/91/1080114591.db2.gz OGUMJWRRBLXLKF-HBUWYVDXSA-N -1 0 366.437 2.530 20 30 FFEDRM C=C(C)Cn1c(C[C@@H](C)SCC)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588598325 1080118275 /nfs/dbraw/zinc/11/82/75/1080118275.db2.gz YXLDDGOBGBGTQV-CXAGYDPISA-N -1 0 352.504 2.839 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC001588615328 1080122713 /nfs/dbraw/zinc/12/27/13/1080122713.db2.gz QIXYDSRICNQOPV-CQSZACIVSA-N -1 0 373.478 2.923 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001588614911 1080122989 /nfs/dbraw/zinc/12/29/89/1080122989.db2.gz DRXKWBLPAXDBQI-HNNXBMFYSA-N -1 0 370.405 2.575 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC001588623350 1080125103 /nfs/dbraw/zinc/12/51/03/1080125103.db2.gz OYMCPWSGIKYGHN-GOSISDBHSA-N -1 0 372.465 2.708 20 30 FFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC001588643675 1080135703 /nfs/dbraw/zinc/13/57/03/1080135703.db2.gz QWUPLIQAODTAMG-SNVBAGLBSA-N -1 0 360.888 2.914 20 30 FFEDRM C=CCn1c(CC2CC2)nnc1N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001588703782 1080161978 /nfs/dbraw/zinc/16/19/78/1080161978.db2.gz UNKUTXCJIMGRHQ-ZDUSSCGKSA-N -1 0 364.457 2.794 20 30 FFEDRM C=C[C@@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)[O-] ZINC001588701991 1080162456 /nfs/dbraw/zinc/16/24/56/1080162456.db2.gz FMUYTSQOYUJJHN-CQSZACIVSA-N -1 0 350.419 2.506 20 30 FFEDRM C=CC[C@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC001588729263 1080174088 /nfs/dbraw/zinc/17/40/88/1080174088.db2.gz IQAXJECJGYCANE-DOTOQJQBSA-N -1 0 370.453 2.753 20 30 FFEDRM C=CCC(F)(F)C(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588742335 1080178726 /nfs/dbraw/zinc/17/87/26/1080178726.db2.gz AYFIHHOVESKJOY-VIFPVBQESA-N -1 0 351.271 2.817 20 30 FFEDRM C=CCC(F)(F)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001588742333 1080178737 /nfs/dbraw/zinc/17/87/37/1080178737.db2.gz AYFIHHOVESKJOY-SECBINFHSA-N -1 0 351.271 2.817 20 30 FFEDRM C=CC[C@@H](CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588744511 1080178761 /nfs/dbraw/zinc/17/87/61/1080178761.db2.gz NTCTXTNLNYVLAJ-IBGZPJMESA-N -1 0 364.401 2.843 20 30 FFEDRM C=CC[C@H](OC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588751284 1080181066 /nfs/dbraw/zinc/18/10/66/1080181066.db2.gz KOYZKZFFGWVYAQ-KWQFWETISA-N -1 0 360.193 2.684 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(C#N)cc2)o1 ZINC001588781439 1080193706 /nfs/dbraw/zinc/19/37/06/1080193706.db2.gz BVUXKUAVMVOWMH-UHFFFAOYSA-N -1 0 350.386 2.761 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCN1c1ncnc2sccc21)C(=O)[O-] ZINC001588789343 1080196404 /nfs/dbraw/zinc/19/64/04/1080196404.db2.gz BHMYADBPSCOAHR-KBPBESRZSA-N -1 0 374.466 2.586 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)[O-] ZINC001588792236 1080197743 /nfs/dbraw/zinc/19/77/43/1080197743.db2.gz AIZRHPARSTZOEX-OAHLLOKOSA-N -1 0 354.410 2.888 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001588790342 1080197831 /nfs/dbraw/zinc/19/78/31/1080197831.db2.gz VOKMAZSGRIXAMH-HUUCEWRRSA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)C(=O)[O-] ZINC001588793541 1080199012 /nfs/dbraw/zinc/19/90/12/1080199012.db2.gz ZFSYRDWBIMKENU-CQSZACIVSA-N -1 0 373.409 2.633 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1C)C(=O)[O-] ZINC001588797282 1080200719 /nfs/dbraw/zinc/20/07/19/1080200719.db2.gz AZCCVQWDCYVJAT-CYBMUJFWSA-N -1 0 362.817 2.768 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc2onc(Cl)c2c1)C(=O)[O-] ZINC001588798942 1080202007 /nfs/dbraw/zinc/20/20/07/1080202007.db2.gz VTCXKMNSZOYIOR-NSHDSACASA-N -1 0 358.803 2.569 20 30 FFEDRM C=CCN(CCOC)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588829011 1080209804 /nfs/dbraw/zinc/20/98/04/1080209804.db2.gz YIXHPJKXTPEJER-UHFFFAOYSA-N -1 0 368.238 2.515 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588832829 1080211548 /nfs/dbraw/zinc/21/15/48/1080211548.db2.gz SBJOGZSFMFBZFV-SJORKVTESA-N -1 0 367.467 2.656 20 30 FFEDRM C=CCN1C(=O)N[C@H](c2ccc(OC(F)F)c(OC)c2)C(C(=O)[O-])=C1C ZINC001588832265 1080211570 /nfs/dbraw/zinc/21/15/70/1080211570.db2.gz KHFILSIMKQAKLI-CQSZACIVSA-N -1 0 368.336 2.908 20 30 FFEDRM C=C(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC001588845128 1080214996 /nfs/dbraw/zinc/21/49/96/1080214996.db2.gz UTWOTPDTZCCAHC-ZDUSSCGKSA-N -1 0 350.415 2.796 20 30 FFEDRM CC(C)C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001588859097 1080219982 /nfs/dbraw/zinc/21/99/82/1080219982.db2.gz WNROTUXPPHKGSH-INIZCTEOSA-N -1 0 368.437 2.940 20 30 FFEDRM C=CCOCCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588866262 1080221249 /nfs/dbraw/zinc/22/12/49/1080221249.db2.gz CTWZBXOIYFGMMZ-JKSUJKDBSA-N -1 0 366.845 2.742 20 30 FFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O ZINC001588869636 1080222340 /nfs/dbraw/zinc/22/23/40/1080222340.db2.gz RWSQUZSOFKNQFH-UHFFFAOYSA-N -1 0 373.361 2.925 20 30 FFEDRM C=CCOc1ccc(CNS(=O)(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001588872921 1080224253 /nfs/dbraw/zinc/22/42/53/1080224253.db2.gz SSKZEJKYJSYZDU-UHFFFAOYSA-N -1 0 361.419 2.569 20 30 FFEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001588873789 1080224755 /nfs/dbraw/zinc/22/47/55/1080224755.db2.gz LUPBVQYHPMBPIE-HXUWFJFHSA-N -1 0 367.401 2.671 20 30 FFEDRM C=CCOc1ccc(CNC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001588874146 1080225042 /nfs/dbraw/zinc/22/50/42/1080225042.db2.gz YKVBDVWTRWUXIF-UHFFFAOYSA-N -1 0 354.406 2.878 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C=C\c1cnc(OC)nc1 ZINC001588881981 1080231090 /nfs/dbraw/zinc/23/10/90/1080231090.db2.gz JYFCFZYTFNIZLN-SREVYHEPSA-N -1 0 370.361 2.539 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC001588882420 1080231457 /nfs/dbraw/zinc/23/14/57/1080231457.db2.gz RZONDMZMYKVXOA-DOMZBBRYSA-N -1 0 364.394 2.611 20 30 FFEDRM C=CCn1c(-c2cc3occc3[nH]2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588888814 1080235875 /nfs/dbraw/zinc/23/58/75/1080235875.db2.gz FFQJCVWKEICUQS-VXGBXAGGSA-N -1 0 355.398 2.752 20 30 FFEDRM C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588888825 1080236248 /nfs/dbraw/zinc/23/62/48/1080236248.db2.gz FNISSRKMXCQYPV-SFHVURJKSA-N -1 0 371.397 2.730 20 30 FFEDRM C=CCn1c([C@@H](O)C2CCCC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588895488 1080245140 /nfs/dbraw/zinc/24/51/40/1080245140.db2.gz HDUXIEGNUGBNNX-INIZCTEOSA-N -1 0 374.441 2.924 20 30 FFEDRM C=CCn1c([C@H](C)c2ccsc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588896840 1080246713 /nfs/dbraw/zinc/24/67/13/1080246713.db2.gz UUKOFXLGNMRMET-BDJLRTHQSA-N -1 0 350.419 2.680 20 30 FFEDRM C=CCn1c(CC)nnc1N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588897519 1080247470 /nfs/dbraw/zinc/24/74/70/1080247470.db2.gz LEUBOKLILOLKJH-UHFFFAOYSA-N -1 0 361.471 2.640 20 30 FFEDRM C=CCn1c(CC[C@@H]2CCCO2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588898119 1080247629 /nfs/dbraw/zinc/24/76/29/1080247629.db2.gz RPKDTAPEYFQTHH-AWEZNQCLSA-N -1 0 374.441 2.812 20 30 FFEDRM C=CCn1c(N2CCC(c3cc(C(=O)[O-])on3)CC2)nnc1C(C)(C)F ZINC001588904340 1080253225 /nfs/dbraw/zinc/25/32/25/1080253225.db2.gz OVQOPKZYHLAOSP-UHFFFAOYSA-N -1 0 363.393 2.739 20 30 FFEDRM C=CCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C(F)(F)c1ccccc1 ZINC001588904573 1080253631 /nfs/dbraw/zinc/25/36/31/1080253631.db2.gz WJYLAUSBZOWMOP-INIZCTEOSA-N -1 0 366.343 2.607 20 30 FFEDRM C=CCn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001588905140 1080254894 /nfs/dbraw/zinc/25/48/94/1080254894.db2.gz QXDIHNBTZRITFW-SXGZJXTBSA-N -1 0 369.469 2.737 20 30 FFEDRM C=CCn1nc(C)c(-c2cc(C(=O)N(CCC(=O)[O-])CC(C)C)[nH]n2)c1C ZINC001588913108 1080262090 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FFEDRM C=CCOC[C@H](NC(=O)Cc1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC000262861665 510446781 /nfs/dbraw/zinc/44/67/81/510446781.db2.gz ARNLCCZSHUSBKR-INIZCTEOSA-N -1 0 374.462 2.687 20 30 FFEDRM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)ccc1Br ZINC000178183665 510476360 /nfs/dbraw/zinc/47/63/60/510476360.db2.gz HHCNZFNMQHOIFD-UHFFFAOYSA-N -1 0 368.212 2.525 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@H](Oc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000262925262 510478888 /nfs/dbraw/zinc/47/88/88/510478888.db2.gz GNMYTWWPZJEYFF-LSDHHAIUSA-N -1 0 355.818 2.515 20 30 FFEDRM C=CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262951064 510490659 /nfs/dbraw/zinc/49/06/59/510490659.db2.gz QPRUSUWFSNFQEB-JOYOIKCWSA-N -1 0 373.236 2.647 20 30 FFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184771913 510510971 /nfs/dbraw/zinc/51/09/71/510510971.db2.gz FLOJDMRJGZZNAF-UHFFFAOYSA-N -1 0 354.347 2.815 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000184823469 510531758 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Cc1cccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1C#N ZINC000551477396 516724765 /nfs/dbraw/zinc/72/47/65/516724765.db2.gz KBDADWYGXFLULH-UHFFFAOYSA-N -1 0 356.403 2.706 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000513816949 516766391 /nfs/dbraw/zinc/76/63/91/516766391.db2.gz XLWQZWAOOVDMGF-UHFFFAOYSA-N -1 0 374.418 2.853 20 30 FFEDRM C=C(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000548120925 516775975 /nfs/dbraw/zinc/77/59/75/516775975.db2.gz GCULEVDVSQCZGQ-CQSZACIVSA-N -1 0 369.349 2.864 20 30 FFEDRM CC#CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc21)C(=O)[O-] ZINC000541003068 516824475 /nfs/dbraw/zinc/82/44/75/516824475.db2.gz BZUVBAKIWUMCAA-CQSZACIVSA-N -1 0 351.811 2.638 20 30 FFEDRM CC(C)(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)CC(=O)[O-] ZINC000548204042 516825302 /nfs/dbraw/zinc/82/53/02/516825302.db2.gz PLUDBFOOQKMHAF-NSHDSACASA-N -1 0 358.847 2.627 20 30 FFEDRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cn1 ZINC000544641188 516850627 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C=CC[C@H](CO)CNC(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000537105201 517037914 /nfs/dbraw/zinc/03/79/14/517037914.db2.gz SUILCXGTDJBXNL-ZFWWWQNUSA-N -1 0 360.483 2.808 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c(F)c1 ZINC000552036214 517043374 /nfs/dbraw/zinc/04/33/74/517043374.db2.gz CLGPIYGBJJXXGG-UHFFFAOYSA-N -1 0 352.350 2.918 20 30 FFEDRM C[C@@H]1CC[C@](CNS(=O)(=O)c2cccc(Cl)c2C#N)(CC(=O)[O-])C1 ZINC000548545877 517047465 /nfs/dbraw/zinc/04/74/65/517047465.db2.gz WWUCZKJZGHXCQO-BDJLRTHQSA-N -1 0 370.858 2.771 20 30 FFEDRM CC[C@H](C)[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000548570247 517059606 /nfs/dbraw/zinc/05/96/06/517059606.db2.gz SCJVMUNAWBGHHD-MJBXVCDLSA-N -1 0 374.528 2.664 20 30 FFEDRM C[C@@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C#N ZINC000555694767 517070194 /nfs/dbraw/zinc/07/01/94/517070194.db2.gz RFXZZOGQQQTZJP-LBPRGKRZSA-N -1 0 368.430 2.741 20 30 FFEDRM C[C@@H](Cc1ccc(NS(=O)(=O)Cc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000548594450 517073852 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359.422 2.760 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001588623198 1080124971 /nfs/dbraw/zinc/12/49/71/1080124971.db2.gz LLUNRMYVOMIHGT-CQSZACIVSA-N -1 0 365.735 2.627 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001588622066 1080125048 /nfs/dbraw/zinc/12/50/48/1080125048.db2.gz OGQUSRNBRXUVRL-QLFBSQMISA-N -1 0 366.458 2.559 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC001588622268 1080125111 /nfs/dbraw/zinc/12/51/11/1080125111.db2.gz SUJNXAHXAPTTRG-NVXWUHKLSA-N -1 0 359.422 2.575 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001588629212 1080128415 /nfs/dbraw/zinc/12/84/15/1080128415.db2.gz BKSPSGGAYKKSFW-BETUJISGSA-N -1 0 350.390 2.799 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 ZINC001588629305 1080128702 /nfs/dbraw/zinc/12/87/02/1080128702.db2.gz FXBLFUJODSFKKQ-UHFFFAOYSA-N -1 0 373.453 2.779 20 30 FFEDRM CC(C)(C)CC[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC001588647449 1080137327 /nfs/dbraw/zinc/13/73/27/1080137327.db2.gz GYIYUIAYALDAGX-NSHDSACASA-N -1 0 357.332 2.981 20 30 FFEDRM C=C1CCC(CNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CC1 ZINC001588649800 1080140025 /nfs/dbraw/zinc/14/00/25/1080140025.db2.gz FAHWXIRTIHJKKT-CQSZACIVSA-N -1 0 354.447 2.607 20 30 FFEDRM C=C[C@H](CC)CC(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001588690838 1080157432 /nfs/dbraw/zinc/15/74/32/1080157432.db2.gz MNGBLTSPKFXWHP-KGLIPLIRSA-N -1 0 354.447 2.511 20 30 FFEDRM C=CCn1c(-c2coc(-c3nn[nH]n3)c2)nnc1N(CC)C1CCCC1 ZINC001588704807 1080161640 /nfs/dbraw/zinc/16/16/40/1080161640.db2.gz PJDIYFNVIIFKGC-UHFFFAOYSA-N -1 0 354.418 2.673 20 30 FFEDRM C=CCn1c(-c2coc(-c3nn[nH]n3)c2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001588703950 1080162461 /nfs/dbraw/zinc/16/24/61/1080162461.db2.gz HDDWCBQGRSCBNK-WCQYABFASA-N -1 0 354.418 2.529 20 30 FFEDRM C=C[C@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)[O-] ZINC001588715576 1080167201 /nfs/dbraw/zinc/16/72/01/1080167201.db2.gz ZKTDFKXFMFLAJF-ZDUSSCGKSA-N -1 0 354.391 2.519 20 30 FFEDRM C=CCC(F)(F)C(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001588743067 1080178771 /nfs/dbraw/zinc/17/87/71/1080178771.db2.gz QSWNECBYBFMTIF-LLVKDONJSA-N -1 0 362.170 2.772 20 30 FFEDRM C=CC[C@H](OC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)C(=O)[O-] ZINC001588756767 1080181680 /nfs/dbraw/zinc/18/16/80/1080181680.db2.gz OTQVBCWIDNCGGL-RRQGHBQHSA-N -1 0 374.368 2.662 20 30 FFEDRM C=CC[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2Br)C1 ZINC001588772627 1080189339 /nfs/dbraw/zinc/18/93/39/1080189339.db2.gz KGYWLZWFCATSHL-JTQLQIEISA-N -1 0 374.256 2.734 20 30 FFEDRM C=CC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001588772617 1080189825 /nfs/dbraw/zinc/18/98/25/1080189825.db2.gz JWFHAGQQGCVXKU-CYBMUJFWSA-N -1 0 362.451 2.617 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1)C(=O)[O-] ZINC001588790123 1080197786 /nfs/dbraw/zinc/19/77/86/1080197786.db2.gz QWBXNYZMCGEBHE-CQSZACIVSA-N -1 0 368.474 2.997 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001588792328 1080197852 /nfs/dbraw/zinc/19/78/52/1080197852.db2.gz DBXZVJVLKAGFQD-MRXNPFEDSA-N -1 0 357.410 2.729 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)[O-] ZINC001588793481 1080198672 /nfs/dbraw/zinc/19/86/72/1080198672.db2.gz YDDKYJRUHKAYHM-INIZCTEOSA-N -1 0 358.369 2.516 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cn(C)nc1-c1cc(F)ccc1F)C(=O)[O-] ZINC001588793650 1080198878 /nfs/dbraw/zinc/19/88/78/1080198878.db2.gz VWISTCXVZNEXOC-OAHLLOKOSA-N -1 0 363.364 2.905 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cn1nc(C(F)F)cc1C(F)F)C(=O)[O-] ZINC001588793884 1080199815 /nfs/dbraw/zinc/19/98/15/1080199815.db2.gz FDSAXTASXOLLLO-MRVPVSSYSA-N -1 0 351.300 2.684 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588793963 1080199848 /nfs/dbraw/zinc/19/98/48/1080199848.db2.gz HAFWOHFXSIZADI-ZNMIVQPWSA-N -1 0 368.474 2.805 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001588793909 1080199889 /nfs/dbraw/zinc/19/98/89/1080199889.db2.gz FNIOJZJBSXHCLJ-ZNMIVQPWSA-N -1 0 368.474 2.996 20 30 FFEDRM C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588814671 1080206579 /nfs/dbraw/zinc/20/65/79/1080206579.db2.gz KTGMBAKWTFBOJY-UHFFFAOYSA-N -1 0 368.389 2.846 20 30 FFEDRM C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588822422 1080208811 /nfs/dbraw/zinc/20/88/11/1080208811.db2.gz KZNXKMWVOAAYBR-ZDUSSCGKSA-N -1 0 363.435 2.750 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1c2c(sc1-n1cccc1)CCCC2)C(=O)[O-] ZINC001588856130 1080219379 /nfs/dbraw/zinc/21/93/79/1080219379.db2.gz CTTQHERCCNGLCJ-CQSZACIVSA-N -1 0 374.462 2.803 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc(C)ccc1-n1c(C)ccc1C)C(=O)[O-] ZINC001588859333 1080220195 /nfs/dbraw/zinc/22/01/95/1080220195.db2.gz IHUGTPPVNCDESC-KRWDZBQOSA-N -1 0 356.422 2.788 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1OCC=C)C(=O)[O-] ZINC001588859533 1080220474 /nfs/dbraw/zinc/22/04/74/1080220474.db2.gz OSRJDHGJOZYRPI-CYBMUJFWSA-N -1 0 373.327 2.656 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588861981 1080221231 /nfs/dbraw/zinc/22/12/31/1080221231.db2.gz OVVBGAXNMXMMHY-NSHDSACASA-N -1 0 351.708 2.744 20 30 FFEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001588869463 1080222764 /nfs/dbraw/zinc/22/27/64/1080222764.db2.gz BVDHNZIHVHDLGE-UHFFFAOYSA-N -1 0 362.407 2.986 20 30 FFEDRM C=CCSCCNC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588879743 1080230055 /nfs/dbraw/zinc/23/00/55/1080230055.db2.gz MCHUBSAFMHWIOM-LLVKDONJSA-N -1 0 355.485 2.650 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(C(F)F)c1 ZINC001588885027 1080232222 /nfs/dbraw/zinc/23/22/22/1080232222.db2.gz JMJXLESCOSNWDI-UHFFFAOYSA-N -1 0 352.293 2.933 20 30 FFEDRM C=CCc1ccc(OCC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c(OC)c1 ZINC001588885658 1080233983 /nfs/dbraw/zinc/23/39/83/1080233983.db2.gz QXIIVZPALOFNIT-UHFFFAOYSA-N -1 0 359.422 2.801 20 30 FFEDRM C=CCc1ccccc1OS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001588886986 1080235075 /nfs/dbraw/zinc/23/50/75/1080235075.db2.gz WKCBICVYTHALEA-UHFFFAOYSA-N -1 0 350.367 2.949 20 30 FFEDRM C=CCc1ccc(OCC(=O)Nc2nc(C)c(C(=O)[O-])s2)c(OC)c1 ZINC001588886985 1080235081 /nfs/dbraw/zinc/23/50/81/1080235081.db2.gz WJJVRYAGZUGVRI-UHFFFAOYSA-N -1 0 362.407 2.904 20 30 FFEDRM C=CCn1c(-c2ccc([C@H](C)O)cc2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588889645 1080237808 /nfs/dbraw/zinc/23/78/08/1080237808.db2.gz ZQWWTOKCKXRARI-YRVVQQKDSA-N -1 0 370.453 2.731 20 30 FFEDRM C=CCn1c(-c2cc(OC)ccn2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588889558 1080238223 /nfs/dbraw/zinc/23/82/23/1080238223.db2.gz XKRBIDSWSKLCMC-AWEZNQCLSA-N -1 0 371.441 2.616 20 30 FFEDRM C=CCn1c2nnc(S[C@H](C(=O)[O-])[C@@H](C)CC)n2c2ccccc2c1=O ZINC001588891210 1080239210 /nfs/dbraw/zinc/23/92/10/1080239210.db2.gz FXEHIMYZBIUACE-FZMZJTMJSA-N -1 0 372.450 2.822 20 30 FFEDRM C=CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588890140 1080239325 /nfs/dbraw/zinc/23/93/25/1080239325.db2.gz PVORIFBRXYVWBG-UHFFFAOYSA-N -1 0 351.410 2.804 20 30 FFEDRM C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588895414 1080243851 /nfs/dbraw/zinc/24/38/51/1080243851.db2.gz FPJRPOFNVSQIQW-VWTAQGJOSA-N -1 0 368.437 2.725 20 30 FFEDRM C=CCn1c([C@H](C)C(C)(C)O)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895492 1080244903 /nfs/dbraw/zinc/24/49/03/1080244903.db2.gz HEANIMOKODFGAA-KBPBESRZSA-N -1 0 364.490 2.666 20 30 FFEDRM C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588896508 1080246410 /nfs/dbraw/zinc/24/64/10/1080246410.db2.gz RRBOCTWIADFFNX-BBWFWOEESA-N -1 0 374.485 2.889 20 30 FFEDRM C=CCn1c([C@@H](O)/C=C\CC)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588896530 1080246609 /nfs/dbraw/zinc/24/66/09/1080246609.db2.gz RZWZSCIHGFEMAI-OSJSJHBBSA-N -1 0 368.437 2.725 20 30 FFEDRM C=CCn1c(Cc2ccc(Cl)s2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588904105 1080252995 /nfs/dbraw/zinc/25/29/95/1080252995.db2.gz HPHMDNFQCVVTPL-JTQLQIEISA-N -1 0 352.847 2.681 20 30 FFEDRM C=CCn1c(Cc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588904095 1080253839 /nfs/dbraw/zinc/25/38/39/1080253839.db2.gz HCNQVKQOCALDIY-HXUWFJFHSA-N -1 0 365.437 2.618 20 30 FFEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1[C@@H]1COc2ccccc2O1 ZINC001588907425 1080256464 /nfs/dbraw/zinc/25/64/64/1080256464.db2.gz MJGOFKGQWRXLKP-AWEZNQCLSA-N -1 0 373.434 2.934 20 30 FFEDRM C=CCn1c(Sc2cc(C(=O)[O-])ncn2)nnc1-c1ccc(F)cc1 ZINC001588907656 1080257326 /nfs/dbraw/zinc/25/73/26/1080257326.db2.gz RXKYGBDYAYYZLY-UHFFFAOYSA-N -1 0 357.370 2.910 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)cc1 ZINC001589035938 1080317319 /nfs/dbraw/zinc/31/73/19/1080317319.db2.gz DGOMBZWDHYUBKY-GOSISDBHSA-N -1 0 372.432 2.565 20 30 FFEDRM C[C@@](NCC(=O)Nc1cc(Cl)ccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001589123054 1080373992 /nfs/dbraw/zinc/37/39/92/1080373992.db2.gz OMCHOKOITFKADM-SFHVURJKSA-N -1 0 357.797 2.740 20 30 FFEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589132124 1080380250 /nfs/dbraw/zinc/38/02/50/1080380250.db2.gz NUJGFJSKOSQZJH-ADEWGFFLSA-N -1 0 370.858 2.625 20 30 FFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001589175274 1080397262 /nfs/dbraw/zinc/39/72/62/1080397262.db2.gz WRTVJVJZGJRSQQ-LBPRGKRZSA-N -1 0 355.398 2.799 20 30 FFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC001589212617 1080422100 /nfs/dbraw/zinc/42/21/00/1080422100.db2.gz JTEMDDNBWAYHGU-NHYWBVRUSA-N -1 0 356.300 2.767 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)NC(C)(C)c2cccc(C#N)c2)c(C(=O)[O-])c1C ZINC001589238798 1080440240 /nfs/dbraw/zinc/44/02/40/1080440240.db2.gz ZXAXVVKGWJJRFN-UHFFFAOYSA-N -1 0 367.405 2.690 20 30 FFEDRM C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CC1 ZINC001589330083 1080485646 /nfs/dbraw/zinc/48/56/46/1080485646.db2.gz YCTIIJZLDNNVOI-LBPRGKRZSA-N -1 0 365.389 2.627 20 30 FFEDRM C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@H]1C(=O)[O-] ZINC001589393823 1080513505 /nfs/dbraw/zinc/51/35/05/1080513505.db2.gz WKYUJIHQLFLMGY-GXSJLCMTSA-N -1 0 351.200 2.504 20 30 FFEDRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589406778 1080517281 /nfs/dbraw/zinc/51/72/81/1080517281.db2.gz KVLXJYNPOJEAFJ-HYSWKAIVSA-N -1 0 350.802 2.633 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001589426959 1080525699 /nfs/dbraw/zinc/52/56/99/1080525699.db2.gz UXDZNQYPSUIDSI-ZDUSSCGKSA-N -1 0 354.366 2.782 20 30 FFEDRM CC(C)[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC001589476233 1080553235 /nfs/dbraw/zinc/55/32/35/1080553235.db2.gz PGMYRAAWQHVSKQ-AWEZNQCLSA-N -1 0 354.805 2.991 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001589557854 1080604533 /nfs/dbraw/zinc/60/45/33/1080604533.db2.gz IQXYYDZTWQZRTF-GOSISDBHSA-N -1 0 364.401 2.978 20 30 FFEDRM CC(C)(C(=O)N(CC#N)CCC(=O)[O-])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001589560478 1080605989 /nfs/dbraw/zinc/60/59/89/1080605989.db2.gz DXRIQMNOAJIGLH-CQSZACIVSA-N -1 0 373.236 2.880 20 30 FFEDRM CC(C)(C(=O)[O-])c1cccc(OS(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001589649566 1080651334 /nfs/dbraw/zinc/65/13/34/1080651334.db2.gz VIJPEPDPRBJPJL-UHFFFAOYSA-N -1 0 359.403 2.883 20 30 FFEDRM CCCOc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(OC(F)F)c1 ZINC001589679811 1080666682 /nfs/dbraw/zinc/66/66/82/1080666682.db2.gz JEFNKYVSJFFVNX-QGZVFWFLSA-N -1 0 370.352 2.698 20 30 FFEDRM CCCOc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(OC(F)F)c1 ZINC001589679810 1080666864 /nfs/dbraw/zinc/66/68/64/1080666864.db2.gz JEFNKYVSJFFVNX-KRWDZBQOSA-N -1 0 370.352 2.698 20 30 FFEDRM CC(C)c1ccc(CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001589768781 1080723320 /nfs/dbraw/zinc/72/33/20/1080723320.db2.gz DSTSXEBVWWCPHY-UHFFFAOYSA-N -1 0 360.425 2.821 20 30 FFEDRM CC(C)(C)OC(=O)N1CC(C)(C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1 ZINC001589919384 1080859788 /nfs/dbraw/zinc/85/97/88/1080859788.db2.gz AHDJIAPCMWERHQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/99/72/25/514997225.db2.gz KIDRVMMUNIWATH-UHFFFAOYSA-N -1 0 357.863 2.771 20 30 FFEDRM O=S(=O)([N-]CCSCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000509202971 515072606 /nfs/dbraw/zinc/07/26/06/515072606.db2.gz NGIADWSXWVCHAI-UHFFFAOYSA-N -1 0 371.299 2.817 20 30 FFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000472014348 515084241 /nfs/dbraw/zinc/08/42/41/515084241.db2.gz VICKGKSQUNXHAA-UHFFFAOYSA-N -1 0 354.362 2.899 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1F ZINC000509262623 515099004 /nfs/dbraw/zinc/09/90/04/515099004.db2.gz HYEHKURRJIBHIH-UHFFFAOYSA-N -1 0 364.402 2.818 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000499178080 515227725 /nfs/dbraw/zinc/22/77/25/515227725.db2.gz VLPIUHDOQMQBNX-UHFFFAOYSA-N -1 0 364.379 2.974 20 30 FFEDRM C=CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000486265964 515408265 /nfs/dbraw/zinc/40/82/65/515408265.db2.gz AGFBZQJDJHRNOU-INIZCTEOSA-N -1 0 355.390 2.858 20 30 FFEDRM N#CCCN(Cc1ccco1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000468614470 515436099 /nfs/dbraw/zinc/43/60/99/515436099.db2.gz ANELLDKYGGJYCM-UHFFFAOYSA-N -1 0 354.341 2.866 20 30 FFEDRM N#CC(=C([O-])c1sccc1-n1cnnn1)c1cc(C(F)(F)F)ccn1 ZINC000464402591 515811749 /nfs/dbraw/zinc/81/17/49/515811749.db2.gz ABBCTPLFEGDHKP-VIFPVBQESA-N -1 0 364.312 2.628 20 30 FFEDRM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC000457350961 515822651 /nfs/dbraw/zinc/82/26/51/515822651.db2.gz WAXNKDMRVXNUML-ZDUSSCGKSA-N -1 0 372.874 2.964 20 30 FFEDRM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)c(OC)c(C)c1OC ZINC000478674706 515919335 /nfs/dbraw/zinc/91/93/35/515919335.db2.gz HWNZMHBUHZJLNJ-UHFFFAOYSA-N -1 0 362.407 2.693 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2COc3c2ccc(C)c3C)cc1C#N ZINC000478706775 515935291 /nfs/dbraw/zinc/93/52/91/515935291.db2.gz UOSLMTOMANSJCU-AWEZNQCLSA-N -1 0 355.419 2.861 20 30 FFEDRM CCOC(=O)c1cn(C)[n-]c1=NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455084680 515949736 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Cn1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1[N+](=O)[O-] ZINC000512943308 516420752 /nfs/dbraw/zinc/42/07/52/516420752.db2.gz NNLRLMNPNPTFQR-NSHDSACASA-N -1 0 353.363 2.942 20 30 FFEDRM Cn1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1[N+](=O)[O-] ZINC000512943307 516421105 /nfs/dbraw/zinc/42/11/05/516421105.db2.gz NNLRLMNPNPTFQR-LLVKDONJSA-N -1 0 353.363 2.942 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2csc(-c3ncccc3F)n2)[n-]1 ZINC000513154520 516495687 /nfs/dbraw/zinc/49/56/87/516495687.db2.gz PNWGBHGDGNHOSB-UHFFFAOYSA-N -1 0 356.386 2.667 20 30 FFEDRM COc1ccc(CN=c2[n-]nc(Sc3cccc(C#N)n3)s2)cc1 ZINC000535887332 516543796 /nfs/dbraw/zinc/54/37/96/516543796.db2.gz FZOKZDUGRGYCIV-UHFFFAOYSA-N -1 0 355.448 2.999 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)C[C@H]2OCCc3ccccc32)cc1C#N ZINC000513337517 516574783 /nfs/dbraw/zinc/57/47/83/516574783.db2.gz BXVSTTZEPSSABU-MRXNPFEDSA-N -1 0 369.446 2.767 20 30 FFEDRM Cc1cccc([C@H](NS(=O)(=O)c2cc(C#N)ccc2C)C(=O)[O-])c1C ZINC000547964798 516660644 /nfs/dbraw/zinc/66/06/44/516660644.db2.gz NROPNZHZIVDSEP-KRWDZBQOSA-N -1 0 358.419 2.588 20 30 FFEDRM CC1([C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])CCCCC1 ZINC000548029683 516716552 /nfs/dbraw/zinc/71/65/52/516716552.db2.gz ARZCCOPWSGKBBZ-AWEZNQCLSA-N -1 0 370.858 2.914 20 30 FFEDRM CC#CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000541000913 516822187 /nfs/dbraw/zinc/82/21/87/516822187.db2.gz RFLQNSWUDRYYSA-SNVBAGLBSA-N -1 0 369.748 2.504 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548219600 516833581 /nfs/dbraw/zinc/83/35/81/516833581.db2.gz PCYKVKISLJAFKN-UKRRQHHQSA-N -1 0 356.831 2.523 20 30 FFEDRM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000548251345 516851643 /nfs/dbraw/zinc/85/16/43/516851643.db2.gz OTYRGQCZAXDSCG-GJZGRUSLSA-N -1 0 356.488 2.613 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C1CCOCC1 ZINC000529001653 516854979 /nfs/dbraw/zinc/85/49/79/516854979.db2.gz XNZMQDYIEOJLNG-HNNXBMFYSA-N -1 0 361.405 2.976 20 30 FFEDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000548260973 516855449 /nfs/dbraw/zinc/85/54/49/516855449.db2.gz ZMOYYDQHGOERAC-HZMBPMFUSA-N -1 0 358.847 2.769 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1 ZINC000525174387 516944089 /nfs/dbraw/zinc/94/40/89/516944089.db2.gz ZUAMMGYNNNQSBI-UHFFFAOYSA-N -1 0 353.197 2.827 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCO[C@@H](c3ccccc3C)C2)cc1C#N ZINC000525253304 516980581 /nfs/dbraw/zinc/98/05/81/516980581.db2.gz JBXZDPOBVOTVPU-MRXNPFEDSA-N -1 0 369.446 2.903 20 30 FFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000532467461 516992474 /nfs/dbraw/zinc/99/24/74/516992474.db2.gz NBBVRBYIZSUQOZ-UHFFFAOYSA-N -1 0 370.356 2.839 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000548554348 517052078 /nfs/dbraw/zinc/05/20/78/517052078.db2.gz HZCNMEFRTIPFOW-AWEZNQCLSA-N -1 0 358.419 2.531 20 30 FFEDRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000548573837 517060086 /nfs/dbraw/zinc/06/00/86/517060086.db2.gz HEGNELPJTFOPLM-VXGBXAGGSA-N -1 0 370.858 2.723 20 30 FFEDRM N#CC1(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)CCOCC1 ZINC000532612544 517060301 /nfs/dbraw/zinc/06/03/01/517060301.db2.gz ZNISNHHQDFNWEQ-UHFFFAOYSA-N -1 0 350.421 2.598 20 30 FFEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1Cc1ccncc1 ZINC000552070553 517061316 /nfs/dbraw/zinc/06/13/16/517061316.db2.gz WAVRSCQOAZNUDY-AWEZNQCLSA-N -1 0 358.361 2.661 20 30 FFEDRM N#Cc1ccc(OC2CCN(C(=O)N=c3ccc(C4CC4)n[n-]3)CC2)cc1 ZINC000562405266 517085311 /nfs/dbraw/zinc/08/53/11/517085311.db2.gz BUUXVXLCMFNHGJ-UHFFFAOYSA-N -1 0 363.421 2.723 20 30 FFEDRM C=CCOC[C@H](NC(=O)NCC(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC000514917317 517121499 /nfs/dbraw/zinc/12/14/99/517121499.db2.gz VIAKIPRBPDWRTD-ZDUSSCGKSA-N -1 0 372.824 2.712 20 30 FFEDRM C=CCOC[C@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC000562464102 517124276 /nfs/dbraw/zinc/12/42/76/517124276.db2.gz RUNCUQJTXBBVKU-HNNXBMFYSA-N -1 0 357.366 2.651 20 30 FFEDRM C=CCOC[C@H](NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC000555846986 517151616 /nfs/dbraw/zinc/15/16/16/517151616.db2.gz YUGKNTOQOGYRDP-KGLIPLIRSA-N -1 0 368.817 2.509 20 30 FFEDRM Cn1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000519768177 517172372 /nfs/dbraw/zinc/17/23/72/517172372.db2.gz IBGPLJYHCSYXPP-UHFFFAOYSA-N -1 0 368.418 2.672 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000556248959 517337635 /nfs/dbraw/zinc/33/76/35/517337635.db2.gz INMVTUYOZFKREQ-UHFFFAOYSA-N -1 0 367.448 2.832 20 30 FFEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1Cc1ccc(F)cc1 ZINC000520499784 517412447 /nfs/dbraw/zinc/41/24/47/517412447.db2.gz DWRBBWQTZLDVEB-MRXNPFEDSA-N -1 0 364.384 2.671 20 30 FFEDRM C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000527053144 517474103 /nfs/dbraw/zinc/47/41/03/517474103.db2.gz WTCIJJSWNPVMEA-UHFFFAOYSA-N -1 0 373.858 2.780 20 30 FFEDRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000546087810 517535509 /nfs/dbraw/zinc/53/55/09/517535509.db2.gz KESBYONZYWTYEY-UHFFFAOYSA-N -1 0 362.382 2.902 20 30 FFEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000546152889 517571529 /nfs/dbraw/zinc/57/15/29/517571529.db2.gz HBONRCROBGNFHM-CQSZACIVSA-N -1 0 354.435 2.583 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000533730080 517589658 /nfs/dbraw/zinc/58/96/58/517589658.db2.gz BFKNBTNNBRDLLK-UHFFFAOYSA-N -1 0 365.418 2.690 20 30 FFEDRM N#Cc1ccc(CC(=O)N=c2nc(Cc3ccc(F)cc3F)[n-]s2)cc1 ZINC000542579691 517639554 /nfs/dbraw/zinc/63/95/54/517639554.db2.gz KTOMCAAWFNZJSW-UHFFFAOYSA-N -1 0 370.384 2.882 20 30 FFEDRM CC(C)(C)c1nnc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000563135466 517685264 /nfs/dbraw/zinc/68/52/64/517685264.db2.gz LVDJXYJPDGGIEL-UHFFFAOYSA-N -1 0 350.469 2.844 20 30 FFEDRM N#CC(=C([O-])c1noc2c1COCC2)c1nc2ccccc2n1C(F)F ZINC000527594636 517781042 /nfs/dbraw/zinc/78/10/42/517781042.db2.gz MYWLONGXJADETK-VIFPVBQESA-N -1 0 358.304 2.982 20 30 FFEDRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)c1cccc(C)c1 ZINC000521749164 517844520 /nfs/dbraw/zinc/84/45/20/517844520.db2.gz LQNHHROGELYSJX-UHFFFAOYSA-N -1 0 374.418 2.811 20 30 FFEDRM C=CCN(CC=C)S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000546971463 517940614 /nfs/dbraw/zinc/94/06/14/517940614.db2.gz LFBDKCLKZHTGCW-UHFFFAOYSA-N -1 0 373.858 2.946 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2(C)CCCCC2)ccc1C#N ZINC000517068755 518009561 /nfs/dbraw/zinc/00/95/61/518009561.db2.gz DQXWTQQPVFKDDC-HNNXBMFYSA-N -1 0 350.440 2.569 20 30 FFEDRM C=CCCC[C@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000539428717 518042748 /nfs/dbraw/zinc/04/27/48/518042748.db2.gz ILRYAUGLEIYFHJ-LBPRGKRZSA-N -1 0 370.471 2.550 20 30 FFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3ccc(C#N)cc3)n2)c1 ZINC000539438185 518049017 /nfs/dbraw/zinc/04/90/17/518049017.db2.gz XMSJBBSIJBWXEI-UHFFFAOYSA-N -1 0 350.353 2.827 20 30 FFEDRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000531082858 518131070 /nfs/dbraw/zinc/13/10/70/518131070.db2.gz OXSBBXBLEGNOGM-UHFFFAOYSA-N -1 0 359.407 2.635 20 30 FFEDRM Cn1nc(-c2cc(F)cc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000584195926 518222971 /nfs/dbraw/zinc/22/29/71/518222971.db2.gz XIYZSPOSPTXECV-UHFFFAOYSA-N -1 0 364.333 2.631 20 30 FFEDRM CC(C)CNS(=O)(=O)c1ccc(-c2ccc(C#N)s2)c(C(=O)[O-])c1 ZINC000566984948 518298489 /nfs/dbraw/zinc/29/84/89/518298489.db2.gz XPEFVJTYEPXNEH-UHFFFAOYSA-N -1 0 364.448 2.919 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)o1 ZINC000572726678 518332956 /nfs/dbraw/zinc/33/29/56/518332956.db2.gz BLKSSSRZIOWFMU-UHFFFAOYSA-N -1 0 355.375 2.926 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CCC(=O)[O-])ccc1C#N ZINC000581592384 518362166 /nfs/dbraw/zinc/36/21/66/518362166.db2.gz SSWHCOQWGBOYKQ-CJNGLKHVSA-N -1 0 350.440 2.569 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCCOc1cccc(Br)c1)C(=O)[O-] ZINC000578841167 518397291 /nfs/dbraw/zinc/39/72/91/518397291.db2.gz ZLAKXZUPUOLMGD-CYBMUJFWSA-N -1 0 371.231 2.547 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)o1 ZINC000584676820 518424269 /nfs/dbraw/zinc/42/42/69/518424269.db2.gz ZOMOFQZISDOYCV-UHFFFAOYSA-N -1 0 363.139 2.993 20 30 FFEDRM COCc1ccccc1CS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000581847561 518466016 /nfs/dbraw/zinc/46/60/16/518466016.db2.gz PQMGTQYMQLJXPG-UHFFFAOYSA-N -1 0 362.455 2.598 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3c2CC(=O)CC3)n1 ZINC000564503479 518476963 /nfs/dbraw/zinc/47/69/63/518476963.db2.gz GICFDEBXJHFOHG-HNNXBMFYSA-N -1 0 368.414 2.868 20 30 FFEDRM Cc1cc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n2c3ccccc3nc2c1C#N ZINC000585702029 518566178 /nfs/dbraw/zinc/56/61/78/518566178.db2.gz SNIBPMIWZYGKHB-ZDUSSCGKSA-N -1 0 373.420 2.875 20 30 FFEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn2c1OCCC2 ZINC000579201083 518568349 /nfs/dbraw/zinc/56/83/49/518568349.db2.gz AGUXCZCIDFIRCF-LLVKDONJSA-N -1 0 350.300 2.878 20 30 FFEDRM Cn1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(-c2ccc(Cl)s2)n1 ZINC000576572515 518657461 /nfs/dbraw/zinc/65/74/61/518657461.db2.gz BCMTZYQZABOEBO-UHFFFAOYSA-N -1 0 372.841 2.948 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(CCc3ccccc3)o2)c(F)c1 ZINC000570589288 518682451 /nfs/dbraw/zinc/68/24/51/518682451.db2.gz UQUFUSDJHJVZNR-UHFFFAOYSA-N -1 0 372.381 2.666 20 30 FFEDRM Cc1cc([C@H](NS(=O)(=O)c2ccc(C#N)s2)C(=O)[O-])ccc1Cl ZINC000582338862 518703220 /nfs/dbraw/zinc/70/32/20/518703220.db2.gz USCFYTZHLDJBIO-ZDUSSCGKSA-N -1 0 370.839 2.686 20 30 FFEDRM C=CCOC[C@H](NC(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000567852363 518747089 /nfs/dbraw/zinc/74/70/89/518747089.db2.gz OQXTZEZEELMBGP-FZMZJTMJSA-N -1 0 374.359 2.591 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[n-]1 ZINC000588259895 518765394 /nfs/dbraw/zinc/76/53/94/518765394.db2.gz PNSMXVRDXXEARA-UHFFFAOYSA-N -1 0 366.400 2.746 20 30 FFEDRM C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC000567884849 518766475 /nfs/dbraw/zinc/76/64/75/518766475.db2.gz OJHQVBUZKRWFND-ONGXEEELSA-N -1 0 353.325 2.734 20 30 FFEDRM COc1ccccc1-c1nc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cs1 ZINC000588766779 518824905 /nfs/dbraw/zinc/82/49/05/518824905.db2.gz OFISBVBAYWCZNJ-UHFFFAOYSA-N -1 0 365.418 2.965 20 30 FFEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(CCC#N)CC1 ZINC000582786089 518921650 /nfs/dbraw/zinc/92/16/50/518921650.db2.gz TYTUXJZDZPISSP-UHFFFAOYSA-N -1 0 350.440 2.652 20 30 FFEDRM C[C@H](C#N)CNC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000580147973 519027239 /nfs/dbraw/zinc/02/72/39/519027239.db2.gz SSBZTXRPZILVGI-OAHLLOKOSA-N -1 0 360.417 2.911 20 30 FFEDRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000589557188 519031422 /nfs/dbraw/zinc/03/14/22/519031422.db2.gz VIAAWJOHXRQWGA-UHFFFAOYSA-N -1 0 369.305 2.554 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)n(-c2cccc(Cl)c2)n1 ZINC000589586018 519035581 /nfs/dbraw/zinc/03/55/81/519035581.db2.gz YDLOKTKANVTTIM-UHFFFAOYSA-N -1 0 373.825 2.902 20 30 FFEDRM Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000589588989 519036138 /nfs/dbraw/zinc/03/61/38/519036138.db2.gz TYPOBMPLYALQHM-UHFFFAOYSA-N -1 0 354.391 2.912 20 30 FFEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000589594288 519037574 /nfs/dbraw/zinc/03/75/74/519037574.db2.gz FCVUQAXZJNUMEG-UHFFFAOYSA-N -1 0 374.422 2.950 20 30 FFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000589594314 519038113 /nfs/dbraw/zinc/03/81/13/519038113.db2.gz OJNWNKDJIOSVIN-UHFFFAOYSA-N -1 0 373.434 2.520 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1noc(-c2ccccc2F)n1 ZINC000580257228 519081315 /nfs/dbraw/zinc/08/13/15/519081315.db2.gz WVGXVGXSOOTPAH-UHFFFAOYSA-N -1 0 358.354 2.857 20 30 FFEDRM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000589961913 519113471 /nfs/dbraw/zinc/11/34/71/519113471.db2.gz MWENZEIVKGVASF-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM CC(C)Oc1ccc(=NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[n-]n1 ZINC000565958446 519217367 /nfs/dbraw/zinc/21/73/67/519217367.db2.gz ZVMRTBUEOQRCMV-UHFFFAOYSA-N -1 0 351.410 2.754 20 30 FFEDRM C=CCC[C@H](NC(=O)NCc1ccc(OC(F)F)c(OC)c1)C(=O)[O-] ZINC000577937322 519330373 /nfs/dbraw/zinc/33/03/73/519330373.db2.gz KQMMXRFYVGQLIY-NSHDSACASA-N -1 0 358.341 2.515 20 30 FFEDRM Cc1nc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)c(C#N)c(C)c1C ZINC000580740188 519331743 /nfs/dbraw/zinc/33/17/43/519331743.db2.gz HDALDISOBMSMEI-UHFFFAOYSA-N -1 0 369.446 2.985 20 30 FFEDRM C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000583634678 519352493 /nfs/dbraw/zinc/35/24/93/519352493.db2.gz DAURHFYNHXGIQD-UHFFFAOYSA-N -1 0 356.469 2.834 20 30 FFEDRM N#CC1CN(C(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])C1 ZINC000590766354 519358974 /nfs/dbraw/zinc/35/89/74/519358974.db2.gz ZJZZPHUXGDWCAQ-UHFFFAOYSA-N -1 0 370.718 2.846 20 30 FFEDRM Cc1nc([C@H]2CCCOC2)sc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N ZINC000583798375 519437883 /nfs/dbraw/zinc/43/78/83/519437883.db2.gz OLBIRZCABRSUPL-LBPRGKRZSA-N -1 0 373.482 2.843 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)[n-]1 ZINC000602885566 519949284 /nfs/dbraw/zinc/94/92/84/519949284.db2.gz GAADBZGESJMYEY-UHFFFAOYSA-N -1 0 350.209 2.611 20 30 FFEDRM COc1cccc(-c2nc(=NC(=O)N3CCC[C@@](C)(C#N)C3)s[n-]2)c1 ZINC000612591433 520039440 /nfs/dbraw/zinc/03/94/40/520039440.db2.gz XKRHZYMKIZBFSA-KRWDZBQOSA-N -1 0 357.439 2.793 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000594671426 520076778 /nfs/dbraw/zinc/07/67/78/520076778.db2.gz PNRLOGAQCILGQS-LBPRGKRZSA-N -1 0 364.448 2.709 20 30 FFEDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594671290 520077409 /nfs/dbraw/zinc/07/74/09/520077409.db2.gz LBSTVEHJWFLRQE-JTQLQIEISA-N -1 0 366.464 2.955 20 30 FFEDRM COc1cccc([C@@H](CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)OC)c1 ZINC000600164525 520094990 /nfs/dbraw/zinc/09/49/90/520094990.db2.gz MEQMGVBJHHIGDD-OAHLLOKOSA-N -1 0 373.434 2.507 20 30 FFEDRM CCOc1cc(C#N)cc(-c2cc(C(F)(F)F)nn2C)c1OCC(=O)[O-] ZINC000594872104 520202625 /nfs/dbraw/zinc/20/26/25/520202625.db2.gz OGRSUKQVZYAGAS-UHFFFAOYSA-N -1 0 369.299 2.840 20 30 FFEDRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)s2)cc1)C(=O)[O-] ZINC000594873973 520203385 /nfs/dbraw/zinc/20/33/85/520203385.db2.gz CFOIIXHLUKUKKE-OAHLLOKOSA-N -1 0 364.448 2.674 20 30 FFEDRM CCOc1cc(C#N)cc(-c2cc(OC)ccc2CO)c1OCC(=O)[O-] ZINC000594874485 520203570 /nfs/dbraw/zinc/20/35/70/520203570.db2.gz SGZUWGNSFWSIGR-UHFFFAOYSA-N -1 0 357.362 2.588 20 30 FFEDRM N#Cc1cccc(C2(NCc3cc([O-])ccc3[N+](=O)[O-])CCOCC2)c1 ZINC000594983251 520244593 /nfs/dbraw/zinc/24/45/93/520244593.db2.gz JQHXPNAOTRNEMB-UHFFFAOYSA-N -1 0 353.378 2.968 20 30 FFEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1 ZINC000609511740 520337717 /nfs/dbraw/zinc/33/77/17/520337717.db2.gz NYMZODUZKLHXDG-UHFFFAOYSA-N -1 0 355.379 2.578 20 30 FFEDRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000592382250 520359198 /nfs/dbraw/zinc/35/91/98/520359198.db2.gz JDAGOUJDOCJXDC-UHFFFAOYSA-N -1 0 351.453 2.544 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)cc1C#N ZINC000600665734 520383622 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C=C(Cl)C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)OCC ZINC000870033412 731464867 /nfs/dbraw/zinc/46/48/67/731464867.db2.gz TVFXSLXHVHZSTB-VIFPVBQESA-N -1 0 351.708 2.614 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1nc(C(C)(C)C)cs1 ZINC000870134642 731473232 /nfs/dbraw/zinc/47/32/32/731473232.db2.gz RDAZTNRNEPQCRB-GFCCVEGCSA-N -1 0 351.472 2.694 20 30 FFEDRM CC(C)(C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)[C@H]1CCCCO1 ZINC000870288513 731492236 /nfs/dbraw/zinc/49/22/36/731492236.db2.gz SRHLTPMAMAFKIN-CQSZACIVSA-N -1 0 356.488 2.502 20 30 FFEDRM CO[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000870340874 731499683 /nfs/dbraw/zinc/49/96/83/731499683.db2.gz ZIIZYVNQCFLWNQ-GWCFXTLKSA-N -1 0 352.456 2.974 20 30 FFEDRM Cc1nn(-c2cccnc2)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000870443833 731515388 /nfs/dbraw/zinc/51/53/88/731515388.db2.gz BIVKGESCAIVVEJ-CYBMUJFWSA-N -1 0 350.407 2.795 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2scc(C)c2Br)CC1 ZINC000870836233 731564065 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ZINC000127638584 966492542 /nfs/dbraw/zinc/49/25/42/966492542.db2.gz MMWHPVXCLRPNHB-ZDUSSCGKSA-N -1 0 370.390 2.663 20 30 FFEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CCCC2 ZINC000873934626 1013698811 /nfs/dbraw/zinc/69/88/11/1013698811.db2.gz PFHJDINHOIMVNJ-CQSZACIVSA-N -1 0 368.437 2.620 20 30 FFEDRM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc2occc2c1[O-] ZINC001271020461 967969675 /nfs/dbraw/zinc/96/96/75/967969675.db2.gz ZLWKXKJCFBJQHC-FQEVSTJZSA-N -1 0 354.406 2.922 20 30 FFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892484452 969098012 /nfs/dbraw/zinc/09/80/12/969098012.db2.gz JWNVDCPPJFIRPE-OAHLLOKOSA-N -1 0 368.462 2.772 20 30 FFEDRM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647491523 969224564 /nfs/dbraw/zinc/22/45/64/969224564.db2.gz YJHQRFZJLBJERS-LSDHHAIUSA-N -1 0 358.438 2.847 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000659064917 969674168 /nfs/dbraw/zinc/67/41/68/969674168.db2.gz QRKGBIKQQMMQJF-WBVHZDCISA-N -1 0 358.438 2.893 20 30 FFEDRM CCNc1nc([N-]N=C2c3ccc(C)c(C)c3NC2=O)nc(NCC)n1 ZINC000024037864 970389441 /nfs/dbraw/zinc/38/94/41/970389441.db2.gz LATJSBJRXJOIKZ-UHFFFAOYSA-N -1 0 354.418 2.770 20 30 FFEDRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC001604999849 972601229 /nfs/dbraw/zinc/60/12/29/972601229.db2.gz YIMJJWSFFIFABX-NVXWUHKLSA-N -1 0 371.437 2.568 20 30 FFEDRM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001604196181 972637486 /nfs/dbraw/zinc/63/74/86/972637486.db2.gz IYKLMFQLAUSOFR-RTRPANQVSA-N -1 0 365.389 2.600 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000125011045 972751925 /nfs/dbraw/zinc/75/19/25/972751925.db2.gz OWXYKOOSEZADRF-MRXNPFEDSA-N -1 0 368.458 2.989 20 30 FFEDRM Cc1cccc([C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C(=O)[O-])c1 ZINC001605328605 973185533 /nfs/dbraw/zinc/18/55/33/973185533.db2.gz PBQJEQIHOGFMFK-SFHVURJKSA-N -1 0 360.373 2.608 20 30 FFEDRM CO[C@](C)(C(=O)[O-])C(=O)OCc1ccccc1Oc1ccccc1C#N ZINC001604461371 973305086 /nfs/dbraw/zinc/30/50/86/973305086.db2.gz IJFBVTVEOQPZPL-LJQANCHMSA-N -1 0 355.346 2.883 20 30 FFEDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc(C#N)nc3)sc2[C@H](C)O1 ZINC001603476898 973372654 /nfs/dbraw/zinc/37/26/54/973372654.db2.gz ZXRVEXYKXJYDKB-BDAKNGLRSA-N -1 0 357.391 2.987 20 30 FFEDRM CC[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001603575431 973721471 /nfs/dbraw/zinc/72/14/71/973721471.db2.gz MQRKRIXEROTOFH-CZUORRHYSA-N -1 0 367.243 2.891 20 30 FFEDRM N#Cc1ccc(CCC(=O)Nc2sc3c(c2C(=O)[O-])COCC3)cc1 ZINC001605601947 973909339 /nfs/dbraw/zinc/90/93/39/973909339.db2.gz GVCPYCSDZSWQEV-UHFFFAOYSA-N -1 0 356.403 2.962 20 30 FFEDRM N#Cc1ccc(Cl)cc1NC(=O)CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001605611102 973914160 /nfs/dbraw/zinc/91/41/60/973914160.db2.gz FCKRRDZICFQOEJ-SFHVURJKSA-N -1 0 369.808 2.834 20 30 FFEDRM COc1cc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c(F)cc1C#N ZINC001604732607 973941237 /nfs/dbraw/zinc/94/12/37/973941237.db2.gz HZCHZOSWMAYUSV-INIZCTEOSA-N -1 0 357.341 2.962 20 30 FFEDRM CC(C)Oc1c(NC(=O)NCC#C[C@H]2CCCCO2)cccc1C(=O)[O-] ZINC001591746471 975784776 /nfs/dbraw/zinc/78/47/76/975784776.db2.gz HWAHKVFICIQCFV-CQSZACIVSA-N -1 0 360.410 2.866 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000105261952 975788311 /nfs/dbraw/zinc/78/83/11/975788311.db2.gz CUQLFHZFMGTLAB-CYBMUJFWSA-N -1 0 369.343 2.794 20 30 FFEDRM CC(C)[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001591852271 976133389 /nfs/dbraw/zinc/13/33/89/976133389.db2.gz HCMIYHJZMGETCU-JTQLQIEISA-N -1 0 351.211 2.518 20 30 FFEDRM CCOc1cccc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)c1 ZINC000125972106 976504107 /nfs/dbraw/zinc/50/41/07/976504107.db2.gz XXUMWEFPEWQUNX-IBGZPJMESA-N -1 0 366.417 2.775 20 30 FFEDRM CC(C)c1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c(C(=O)[O-])c1 ZINC001591960181 976539876 /nfs/dbraw/zinc/53/98/76/976539876.db2.gz QPANKGDHQKMNAT-UHFFFAOYSA-N -1 0 357.410 2.599 20 30 FFEDRM CC(C)n1ncc2cc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)cnc21 ZINC001592163561 977055784 /nfs/dbraw/zinc/05/57/84/977055784.db2.gz SDGVTUSMMUXLAA-UHFFFAOYSA-N -1 0 364.361 2.939 20 30 FFEDRM Cc1cc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cnc1F ZINC000899343413 977102217 /nfs/dbraw/zinc/10/22/17/977102217.db2.gz WNXGURFGBALZCJ-DUXPYHPUSA-N -1 0 356.397 2.963 20 30 FFEDRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001592205601 977239757 /nfs/dbraw/zinc/23/97/57/977239757.db2.gz PXRUDUDJXPIIKV-XTXQVDMPSA-N -1 0 350.374 2.896 20 30 FFEDRM C[C@@](CC(=O)[O-])(NC(=O)C(F)(F)c1ccccc1C#N)c1cccnc1 ZINC001592277928 977557214 /nfs/dbraw/zinc/55/72/14/977557214.db2.gz JTMWMOHPVBRESJ-KRWDZBQOSA-N -1 0 359.332 2.551 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000653659051 1014417164 /nfs/dbraw/zinc/41/71/64/1014417164.db2.gz DUAKAGKJNYJDQM-SFHVURJKSA-N -1 0 356.422 2.822 20 30 FFEDRM C[C@@H](CC(=O)[O-])C(=O)OC[C@H](C#N)Cc1cc(Br)ccc1F ZINC001592365432 977864657 /nfs/dbraw/zinc/86/46/57/977864657.db2.gz UKSKIAGRHMJPNC-UWVGGRQHSA-N -1 0 372.190 2.924 20 30 FFEDRM N#CCCCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccccc1[S-] ZINC001271857949 979160629 /nfs/dbraw/zinc/16/06/29/979160629.db2.gz FPKVJGNQGCUNPX-LJQANCHMSA-N -1 0 357.479 2.876 20 30 FFEDRM N#CCCCN1CCC2(CCN(C(=O)c3ccccc3[S-])CC2)C1=O ZINC001271858425 979163080 /nfs/dbraw/zinc/16/30/80/979163080.db2.gz JJIKLRYIWPDNEQ-UHFFFAOYSA-N -1 0 357.479 2.734 20 30 FFEDRM C=CCN1CC[C@]2(CCCN(C(=O)c3c(F)cc([O-])cc3F)CC2)C1=O ZINC001271914241 979267336 /nfs/dbraw/zinc/26/73/36/979267336.db2.gz BSRQUVDWBUEKMO-LJQANCHMSA-N -1 0 364.392 2.701 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592833316 979569731 /nfs/dbraw/zinc/56/97/31/979569731.db2.gz FKKIFYNBBNRETA-CYBMUJFWSA-N -1 0 362.389 2.810 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001592833611 979571866 /nfs/dbraw/zinc/57/18/66/979571866.db2.gz HQQISZBYRDQBHE-XOBRGWDASA-N -1 0 351.406 2.638 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001592834274 979575363 /nfs/dbraw/zinc/57/53/63/979575363.db2.gz OORNVJJCKSYQDB-LLVKDONJSA-N -1 0 357.797 2.800 20 30 FFEDRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)[O-] ZINC001592847792 979627715 /nfs/dbraw/zinc/62/77/15/979627715.db2.gz JRHINXNMFSYPEB-QGZVFWFLSA-N -1 0 361.760 2.562 20 30 FFEDRM O=c1c2c3c(sc2ncn1N=Cc1cc([N+](=O)[O-])ccc1[O-])CCCC3 ZINC000254827263 1014592229 /nfs/dbraw/zinc/59/22/29/1014592229.db2.gz NTXKASMSOQNOKF-UHFFFAOYSA-N -1 0 370.390 2.833 20 30 FFEDRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(C#N)c1 ZINC001592986924 980163646 /nfs/dbraw/zinc/16/36/46/980163646.db2.gz IQDIAMKBJXOBHU-JTQLQIEISA-N -1 0 371.780 2.726 20 30 FFEDRM C=CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C)C(=O)[O-] ZINC000262935792 980171976 /nfs/dbraw/zinc/17/19/76/980171976.db2.gz PKBPYQSMLDPLDC-IRXDYDNUSA-N -1 0 360.454 2.675 20 30 FFEDRM COc1cc(CNCc2ccc(N3CCC(C(=O)[O-])CC3)o2)ccc1C#N ZINC000904240097 980225162 /nfs/dbraw/zinc/22/51/62/980225162.db2.gz FXONODQUHPBCOU-UHFFFAOYSA-N -1 0 369.421 2.751 20 30 FFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000796613328 1014649487 /nfs/dbraw/zinc/64/94/87/1014649487.db2.gz SASPPCPMERYUHJ-QGZVFWFLSA-N -1 0 370.430 2.782 20 30 FFEDRM C[C@@H](NC(=O)Cc1ccccc1CC#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593045220 980334731 /nfs/dbraw/zinc/33/47/31/980334731.db2.gz XSUVGNIMYGREAB-CQSZACIVSA-N -1 0 352.390 2.636 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000263132204 980483761 /nfs/dbraw/zinc/48/37/61/980483761.db2.gz WARTUUIQEHVXDZ-LBPRGKRZSA-N -1 0 370.327 2.583 20 30 FFEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000263373186 980722884 /nfs/dbraw/zinc/72/28/84/980722884.db2.gz VZJRIZTWKSOXOI-OCCSQVGLSA-N -1 0 368.355 2.809 20 30 FFEDRM CCC1CCC(NS(=O)(=O)c2ccc(CCC#N)cc2)(C(=O)[O-])CC1 ZINC001595431421 981053214 /nfs/dbraw/zinc/05/32/14/981053214.db2.gz TXTFSGAVRWLUJB-UHFFFAOYSA-N -1 0 364.467 2.845 20 30 FFEDRM C=CCN(CC(=O)[O-])C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000909054746 981608565 /nfs/dbraw/zinc/60/85/65/981608565.db2.gz BXWDVMKWEDZMJD-UHFFFAOYSA-N -1 0 371.437 2.694 20 30 FFEDRM CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595619654 981680024 /nfs/dbraw/zinc/68/00/24/981680024.db2.gz LCZPQEAIJDRLJT-IUODEOHRSA-N -1 0 350.440 2.846 20 30 FFEDRM CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595622516 981711120 /nfs/dbraw/zinc/71/11/20/981711120.db2.gz RRIHSTAAIFVAHL-UKRRQHHQSA-N -1 0 350.440 2.894 20 30 FFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC001594785673 981805085 /nfs/dbraw/zinc/80/50/85/981805085.db2.gz MRYKGLZUNSKIDW-QGZVFWFLSA-N -1 0 368.430 2.660 20 30 FFEDRM C=C1CCC(C(=O)N2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)CC1 ZINC000910292174 981901986 /nfs/dbraw/zinc/90/19/86/981901986.db2.gz HEUMNZUQUMJXMN-UHFFFAOYSA-N -1 0 368.384 2.824 20 30 FFEDRM CCCCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001595676066 982146312 /nfs/dbraw/zinc/14/63/12/982146312.db2.gz HDHPWPXLIZFURB-MRXNPFEDSA-N -1 0 354.410 2.816 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccccc2OC)c1C)C(=O)[O-] ZINC000910917215 982163469 /nfs/dbraw/zinc/16/34/69/982163469.db2.gz NZKWIUWRZFIOJM-HNNXBMFYSA-N -1 0 357.410 2.729 20 30 FFEDRM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001595885709 982908371 /nfs/dbraw/zinc/90/83/71/982908371.db2.gz CFSOFYANTCDQTH-UHFFFAOYSA-N -1 0 364.467 2.743 20 30 FFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000129429265 984050246 /nfs/dbraw/zinc/05/02/46/984050246.db2.gz OVAJHCTZXAUSFC-OALUTQOASA-N -1 0 374.396 2.742 20 30 FFEDRM CCOC(=O)[C@H](Cc1ccccc1)NCc1cccc(C(=O)[O-])c1C#N ZINC001596535255 984367010 /nfs/dbraw/zinc/36/70/10/984367010.db2.gz KBLLLBWVXIQKGI-SFHVURJKSA-N -1 0 352.390 2.520 20 30 FFEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058116399 984546844 /nfs/dbraw/zinc/54/68/44/984546844.db2.gz POUJILOJAPDEDQ-UHFFFAOYSA-N -1 0 371.418 2.712 20 30 FFEDRM CCOC(=O)c1c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C#N)cn1CC ZINC001596700888 984872509 /nfs/dbraw/zinc/87/25/09/984872509.db2.gz QGNMDICKPIGVIG-UHFFFAOYSA-N -1 0 373.340 2.646 20 30 FFEDRM CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000761264431 985025933 /nfs/dbraw/zinc/02/59/33/985025933.db2.gz INTQDDAHEVHRAY-GFCCVEGCSA-N -1 0 374.418 2.695 20 30 FFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2)c1ccccc1 ZINC000761288853 985112584 /nfs/dbraw/zinc/11/25/84/985112584.db2.gz JANIPIVIQVAOSB-GOSISDBHSA-N -1 0 369.442 2.916 20 30 FFEDRM C[C@H]1CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC[C@H]1C(=O)[O-] ZINC001599927594 985232172 /nfs/dbraw/zinc/23/21/72/985232172.db2.gz FNPBNWGVAYIRFJ-YNEHKIRRSA-N -1 0 357.435 2.515 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2C)n1 ZINC000171363397 985275031 /nfs/dbraw/zinc/27/50/31/985275031.db2.gz OGSYJTVLZGXXLG-OAHLLOKOSA-N -1 0 371.462 2.984 20 30 FFEDRM COc1ccccc1/C(C)=C/C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000171373873 985276342 /nfs/dbraw/zinc/27/63/42/985276342.db2.gz DDONGDYENXEQMC-GXDHUFHOSA-N -1 0 370.430 2.616 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)n1C ZINC000173934377 986015122 /nfs/dbraw/zinc/01/51/22/986015122.db2.gz NHMQFGXPGXGTIU-MRXNPFEDSA-N -1 0 353.422 2.557 20 30 FFEDRM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000174147738 986106596 /nfs/dbraw/zinc/10/65/96/986106596.db2.gz BKSRVXCWMGNIRI-AWEZNQCLSA-N -1 0 374.437 2.912 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001599977589 986115878 /nfs/dbraw/zinc/11/58/78/986115878.db2.gz TXMBONBWDIZLRE-GOSISDBHSA-N -1 0 369.402 2.527 20 30 FFEDRM CCOCc1nc(Cl)cc(N=NCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001596952460 986123549 /nfs/dbraw/zinc/12/35/49/986123549.db2.gz QIENPMNXSYHNPK-UHFFFAOYSA-N -1 0 352.753 2.950 20 30 FFEDRM C[C@@H]1COC[C@@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594593131 986500591 /nfs/dbraw/zinc/50/05/91/986500591.db2.gz PRWFBMUWTUHNRX-KUHUBIRLSA-N -1 0 364.401 2.941 20 30 FFEDRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1cc(C#N)ccc1C ZINC001597076892 986611999 /nfs/dbraw/zinc/61/19/99/986611999.db2.gz VDHXFTAMKREKRQ-UHFFFAOYSA-N -1 0 361.375 2.731 20 30 FFEDRM CCC(C#N)(CC)C(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001594722642 987214671 /nfs/dbraw/zinc/21/46/71/987214671.db2.gz RVEAZQDAPDBZMI-LLVKDONJSA-N -1 0 356.344 2.936 20 30 FFEDRM C=C(C)CN1CCC2(CCN(C(=O)Cc3ccc([S-])cc3)CC2)C1=O ZINC001272548901 987257707 /nfs/dbraw/zinc/25/77/07/987257707.db2.gz JYIQEUIKWINOLY-UHFFFAOYSA-N -1 0 358.507 2.935 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)cc1C#N ZINC001128189352 987373245 /nfs/dbraw/zinc/37/32/45/987373245.db2.gz IJWOEWLJXHOZQH-UHFFFAOYSA-N -1 0 374.378 2.658 20 30 FFEDRM CCc1[nH]c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1C(=O)[O-] ZINC001597362016 987525301 /nfs/dbraw/zinc/52/53/01/987525301.db2.gz ZLFAGZUGKVUNRP-FQEVSTJZSA-N -1 0 366.421 2.676 20 30 FFEDRM CCc1[nH]c(C(=O)OCc2cccc(C(=O)OC)c2C#N)c(C)c1C(=O)[O-] ZINC001597377741 987564743 /nfs/dbraw/zinc/56/47/43/987564743.db2.gz CJMTZWQLOLUDJK-UHFFFAOYSA-N -1 0 370.361 2.599 20 30 FFEDRM CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000761743554 987762024 /nfs/dbraw/zinc/76/20/24/987762024.db2.gz CHCIXVLOASLFIJ-UHFFFAOYSA-N -1 0 372.812 2.897 20 30 FFEDRM CCc1ccc(-c2cc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)no2)cc1 ZINC001597489207 988007821 /nfs/dbraw/zinc/00/78/21/988007821.db2.gz CSHKPQJRBCFCKG-UHFFFAOYSA-N -1 0 353.378 2.735 20 30 FFEDRM CCc1ccc(-c2nc(=S)n(CN3CCC(C#N)(C(=O)[O-])CC3)[nH]2)cc1 ZINC001597492948 988034841 /nfs/dbraw/zinc/03/48/41/988034841.db2.gz ZQIJVVTYQGZCBP-UHFFFAOYSA-N -1 0 371.466 2.818 20 30 FFEDRM CCc1ccc(C#CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001597495104 988041487 /nfs/dbraw/zinc/04/14/87/988041487.db2.gz RBGDVROBAYQPGB-HXUWFJFHSA-N -1 0 366.373 2.625 20 30 FFEDRM CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001597511518 988090250 /nfs/dbraw/zinc/09/02/50/988090250.db2.gz AJTPMOMDDLYTRO-GJZGRUSLSA-N -1 0 357.454 2.505 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)NC(C)C)cc1 ZINC000193382901 988255339 /nfs/dbraw/zinc/25/53/39/988255339.db2.gz FBVDYBSEOSEPNH-MRXNPFEDSA-N -1 0 358.442 2.845 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1oc2c(ccc3ccccc23)c1C ZINC000193413859 988314670 /nfs/dbraw/zinc/31/46/70/988314670.db2.gz QSYFODPWZUUSJV-MRXNPFEDSA-N -1 0 350.374 2.980 20 30 FFEDRM C[C@@H](Cn1ncc2ccccc2c1=O)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000763274951 989448191 /nfs/dbraw/zinc/44/81/91/989448191.db2.gz AHJIINUZVRSBOS-AOPUEWEHSA-N -1 0 352.350 2.518 20 30 FFEDRM COc1cccc(NC(=S)NN=Cc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000915945210 989711045 /nfs/dbraw/zinc/71/10/45/989711045.db2.gz XCDQNJAGBZQORV-UHFFFAOYSA-N -1 0 373.434 2.869 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000916869656 990005138 /nfs/dbraw/zinc/00/51/38/990005138.db2.gz YSXRZPXWZGTHMU-OAQYLSRUSA-N -1 0 374.440 2.952 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000916875570 990007209 /nfs/dbraw/zinc/00/72/09/990007209.db2.gz DDUGIKPONOZARJ-MRXNPFEDSA-N -1 0 371.416 2.734 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000916916800 990026588 /nfs/dbraw/zinc/02/65/88/990026588.db2.gz CAEOEWHOUPDXTJ-MRXNPFEDSA-N -1 0 362.433 2.901 20 30 FFEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000916911491 990032397 /nfs/dbraw/zinc/03/23/97/990032397.db2.gz UPBUBKBVVGSQCU-LBPRGKRZSA-N -1 0 372.812 2.822 20 30 FFEDRM CC(C)(C)c1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)s1 ZINC001590479657 990055380 /nfs/dbraw/zinc/05/53/80/990055380.db2.gz FRWYAUOSFGHLIZ-GFCCVEGCSA-N -1 0 364.492 2.882 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000917003028 990090622 /nfs/dbraw/zinc/09/06/22/990090622.db2.gz XCNBKRGHETWBAP-CQSZACIVSA-N -1 0 372.808 2.996 20 30 FFEDRM CN(C(=O)c1coc(C#N)c1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598097682 990457269 /nfs/dbraw/zinc/45/72/69/990457269.db2.gz IAOFCSSYAUOVTO-CYBMUJFWSA-N -1 0 363.167 2.812 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000155048630 990704565 /nfs/dbraw/zinc/70/45/65/990704565.db2.gz WDFDUGSJCJAXNS-MRXNPFEDSA-N -1 0 367.361 2.551 20 30 FFEDRM N#C[C@@]1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CC2CCC1CC2 ZINC000923064073 990829647 /nfs/dbraw/zinc/82/96/47/990829647.db2.gz FXIROMZRGLWMLE-SDRVACKXSA-N -1 0 358.413 2.905 20 30 FFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@@]1(C#N)CC13CCCC3)CC2 ZINC000923102423 990857801 /nfs/dbraw/zinc/85/78/01/990857801.db2.gz KKTNHBOMEXWSCC-FQEVSTJZSA-N -1 0 354.406 2.752 20 30 FFEDRM CC(C)C#CC(=O)N[C@@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001590927551 990933427 /nfs/dbraw/zinc/93/34/27/990933427.db2.gz AKWVMADYCYBSDS-KRWDZBQOSA-N -1 0 364.239 2.537 20 30 FFEDRM CC(C)C(=O)Nc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccn1 ZINC001590944741 990989981 /nfs/dbraw/zinc/98/99/81/990989981.db2.gz HQVARBMRJZDDAP-MRXNPFEDSA-N -1 0 367.361 2.530 20 30 FFEDRM COc1ccccc1-c1nnc(CON=Cc2ccc(C(=O)[O-])cc2)o1 ZINC001599694930 991134132 /nfs/dbraw/zinc/13/41/32/991134132.db2.gz QZIFDWXNQUIXHH-UHFFFAOYSA-N -1 0 353.334 2.994 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000175104101 991160494 /nfs/dbraw/zinc/16/04/94/991160494.db2.gz UZUJARGXCYHGDC-ZDUSSCGKSA-N -1 0 372.375 2.922 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cscc2C)cc1OC ZINC000175109876 991161428 /nfs/dbraw/zinc/16/14/28/991161428.db2.gz SNMJKFJJCNKXQH-CQSZACIVSA-N -1 0 372.446 2.755 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1OC ZINC000175109955 991161949 /nfs/dbraw/zinc/16/19/49/991161949.db2.gz AAKNVGYBOMOLPW-OAHLLOKOSA-N -1 0 370.405 2.595 20 30 FFEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001598288397 991194886 /nfs/dbraw/zinc/19/48/86/991194886.db2.gz SSPFQOYMYJFTPC-HXUWFJFHSA-N -1 0 369.396 2.579 20 30 FFEDRM Cc1ccccc1COc1ccccc1C(=O)[N-]S(=O)(=O)CCCC#N ZINC000181282371 991705750 /nfs/dbraw/zinc/70/57/50/991705750.db2.gz YKVLLDVRJWWLAT-UHFFFAOYSA-N -1 0 372.446 2.937 20 30 FFEDRM CN(CC(C)(C)C#N)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001598420436 991757489 /nfs/dbraw/zinc/75/74/89/991757489.db2.gz XNFNQCPEEBZPPC-UHFFFAOYSA-N -1 0 352.437 2.770 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000069546383 991777799 /nfs/dbraw/zinc/77/77/99/991777799.db2.gz XENBYDRBQJACJL-UHFFFAOYSA-N -1 0 366.402 2.632 20 30 FFEDRM CC(C)C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001591207673 992044258 /nfs/dbraw/zinc/04/42/58/992044258.db2.gz VSFBHHBJORPORR-AWEZNQCLSA-N -1 0 350.440 2.703 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001598509514 992552379 /nfs/dbraw/zinc/55/23/79/992552379.db2.gz XJLPISZOGGTORS-KOHRHEQBSA-N -1 0 373.478 2.829 20 30 FFEDRM CN1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC001598578217 993307763 /nfs/dbraw/zinc/30/77/63/993307763.db2.gz NTKYENAULXZWLL-AEFFLSMTSA-N -1 0 350.374 2.851 20 30 FFEDRM COc1ccc(N(C)CCN(C)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001599583999 993588347 /nfs/dbraw/zinc/58/83/47/993588347.db2.gz KVJTXWZKDZCHRA-UHFFFAOYSA-N -1 0 353.422 2.833 20 30 FFEDRM COc1ccc(NC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1C#N ZINC001599591728 993693281 /nfs/dbraw/zinc/69/32/81/993693281.db2.gz JSUQYIIPIQTECQ-FQEVSTJZSA-N -1 0 365.389 2.827 20 30 FFEDRM C[C@H](NC(=O)Nc1cc(C#N)c(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593109384 993773386 /nfs/dbraw/zinc/77/33/86/993773386.db2.gz MJEWDYQJNKFKER-LURJTMIESA-N -1 0 352.322 2.874 20 30 FFEDRM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1 ZINC001593130746 993874630 /nfs/dbraw/zinc/87/46/30/993874630.db2.gz GOQFMTZHBGOZQC-OLZOCXBDSA-N -1 0 374.441 2.781 20 30 FFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(F)c(C#N)c(F)c2)c1 ZINC001599654263 994553119 /nfs/dbraw/zinc/55/31/19/994553119.db2.gz WBKNRTSBLGOALG-IBGZPJMESA-N -1 0 374.343 2.965 20 30 FFEDRM COc1cccc([C@H](OC(=O)c2cc(C#N)cc(N(C)C)c2)C(=O)[O-])c1 ZINC001599662782 994681226 /nfs/dbraw/zinc/68/12/26/994681226.db2.gz SJNPOYMEQJTLQN-KRWDZBQOSA-N -1 0 354.362 2.616 20 30 FFEDRM C[C@](NCc1nnc(-c2cccc(C#N)c2)o1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593317240 994816950 /nfs/dbraw/zinc/81/69/50/994816950.db2.gz NDSDIKBGPVAPNS-LJQANCHMSA-N -1 0 366.352 2.837 20 30 FFEDRM C#CCCS(=O)(=O)[N-]C(=O)/C(=C/c1ccccc1OC)c1ccccc1 ZINC000810786488 994910819 /nfs/dbraw/zinc/91/08/19/994910819.db2.gz KUQDWBSDRIDVDN-OBGWFSINSA-N -1 0 369.442 2.705 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000810985786 994994955 /nfs/dbraw/zinc/99/49/55/994994955.db2.gz UABRJHLJIXXYPJ-UHFFFAOYSA-N -1 0 371.462 2.918 20 30 FFEDRM COC(=O)[C@H](N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1cccc(C#N)c1 ZINC001598706135 995289157 /nfs/dbraw/zinc/28/91/57/995289157.db2.gz OGLGFBRXKPOGFN-ZOCIIQOWSA-N -1 0 366.417 2.694 20 30 FFEDRM C[C@@H](OC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)NC1(C#N)CCCCC1 ZINC001593512921 995519591 /nfs/dbraw/zinc/51/95/91/995519591.db2.gz APDBGAIZOSXMRA-CQSZACIVSA-N -1 0 364.442 2.686 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001593612050 995813029 /nfs/dbraw/zinc/81/30/29/995813029.db2.gz JQVBFEFCNFGBEE-JQWIXIFHSA-N -1 0 371.418 2.610 20 30 FFEDRM C[C@@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001593680178 996106914 /nfs/dbraw/zinc/10/69/14/996106914.db2.gz VZRVRNDWANBJBW-SSDOTTSWSA-N -1 0 350.787 2.752 20 30 FFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001593736520 996326820 /nfs/dbraw/zinc/32/68/20/996326820.db2.gz BIBDRJUAEDOBLU-DZGCQCFKSA-N -1 0 356.451 2.785 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC001593777535 996485383 /nfs/dbraw/zinc/48/53/83/996485383.db2.gz ZEEDGEMWQJAQEC-KZULUSFZSA-N -1 0 357.435 2.659 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCCN(c2nnc(C3(C#N)CCCC3)n2CC2CC2)C1 ZINC001593783965 996499651 /nfs/dbraw/zinc/49/96/51/996499651.db2.gz ULNOSXCIFGDXTJ-GOSISDBHSA-N -1 0 357.458 2.715 20 30 FFEDRM CC1(C)CCC[C@](NS(=O)(=O)c2ccc(C#N)cc2Cl)(C(=O)[O-])C1 ZINC001593899473 996764066 /nfs/dbraw/zinc/76/40/66/996764066.db2.gz LLGIRTNFXCBBBH-MRXNPFEDSA-N -1 0 370.858 2.914 20 30 FFEDRM CC1(C)CCCN(C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)[C@@H]1C#N ZINC001593904061 996780258 /nfs/dbraw/zinc/78/02/58/996780258.db2.gz YADDBVUBDWTBPH-MRXNPFEDSA-N -1 0 352.394 2.725 20 30 FFEDRM COCc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC001599285132 996962834 /nfs/dbraw/zinc/96/28/34/996962834.db2.gz UEQAYGUSAZSZNH-QGZVFWFLSA-N -1 0 363.373 2.724 20 30 FFEDRM CCC(CC)[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1 ZINC001136903800 997005048 /nfs/dbraw/zinc/00/50/48/997005048.db2.gz MJKDWTGEGYCOQZ-GOSISDBHSA-N -1 0 368.437 2.504 20 30 FFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccccc1OCC#N ZINC001599398701 997175550 /nfs/dbraw/zinc/17/55/50/997175550.db2.gz LDDUJCJSVLMGRT-CLFYSBASSA-N -1 0 353.330 2.915 20 30 FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC001599508774 997258998 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FFEDRM CN1CCN(c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])c(F)c3)cc2F)CC1 ZINC001344437436 1052770112 /nfs/dbraw/zinc/77/01/12/1052770112.db2.gz FPRGWSAORDMHSX-UHFFFAOYSA-N -1 0 374.391 2.861 20 30 FFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1C)c1ccccc1 ZINC001344580483 1052844370 /nfs/dbraw/zinc/84/43/70/1052844370.db2.gz QZIXMNAPPDGPKW-HOTGVXAUSA-N -1 0 350.422 2.887 20 30 FFEDRM N#CC1(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC001347090946 1053611422 /nfs/dbraw/zinc/61/14/22/1053611422.db2.gz NIMFXQHDPVMMLP-UHFFFAOYSA-N -1 0 358.225 2.819 20 30 FFEDRM CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNC(=S)NC(C)C ZINC001347622942 1054166855 /nfs/dbraw/zinc/16/68/55/1054166855.db2.gz SILFYMMCWBSKDS-ZDUSSCGKSA-N -1 0 351.472 2.720 20 30 FFEDRM CC[C@H](C)CN(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C[C@H]1CCCO1 ZINC001347858430 1054388898 /nfs/dbraw/zinc/38/88/98/1054388898.db2.gz RBOVSQHEMPYJEI-XJKSGUPXSA-N -1 0 370.457 2.579 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)O[C@H]([C@@H]2CCCO2)C(F)(F)F)cc1C#N ZINC001337316330 1054644718 /nfs/dbraw/zinc/64/47/18/1054644718.db2.gz DFTSPDZVZDZRKK-VHSXEESVSA-N -1 0 362.329 2.647 20 30 FFEDRM C=CC(C)(C)CCn1nnnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001337622132 1054899724 /nfs/dbraw/zinc/89/97/24/1054899724.db2.gz ZQKXMXTWBCYXEG-UHFFFAOYSA-N -1 0 359.459 2.622 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2=O)c(C#N)c1 ZINC001352106622 1055196282 /nfs/dbraw/zinc/19/62/82/1055196282.db2.gz KUGJPDOUIQOJRV-UHFFFAOYSA-N -1 0 369.446 2.790 20 30 FFEDRM CCOc1ccc(Nc2ncccc2C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC001300044349 1055567499 /nfs/dbraw/zinc/56/74/99/1055567499.db2.gz WXRBZDUZABPJBR-UHFFFAOYSA-N -1 0 373.376 2.943 20 30 FFEDRM C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](C(C)(C)C)CC1 ZINC001356546873 1055571410 /nfs/dbraw/zinc/57/14/10/1055571410.db2.gz GNVNMYIHZQAHPS-AWEZNQCLSA-N -1 0 358.490 2.731 20 30 FFEDRM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)c1 ZINC000847690751 1056374220 /nfs/dbraw/zinc/37/42/20/1056374220.db2.gz OHEHACFVYXRRPP-HNNXBMFYSA-N -1 0 370.840 2.748 20 30 FFEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CCC#N)CCC#N)n2)cc1 ZINC001545080717 1071730631 /nfs/dbraw/zinc/73/06/31/1071730631.db2.gz IKCFHFMELCGMAP-UHFFFAOYSA-N -1 0 351.410 2.971 20 30 FFEDRM CCCCCCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001513180982 1058246599 /nfs/dbraw/zinc/24/65/99/1058246599.db2.gz VCIVXWDDZBHSIA-UKRRQHHQSA-N -1 0 364.490 2.751 20 30 FFEDRM C=CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC001200550581 1058543536 /nfs/dbraw/zinc/54/35/36/1058543536.db2.gz AKGNHLOWNNSQNW-UHFFFAOYSA-N -1 0 365.382 2.978 20 30 FFEDRM CNC(=O)c1cccc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)n1 ZINC001519202818 1058671930 /nfs/dbraw/zinc/67/19/30/1058671930.db2.gz UHQYFRHNTBEHNM-GFCCVEGCSA-N -1 0 367.430 2.587 20 30 FFEDRM C=CCC[C@H](NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)OCC ZINC001449728345 1058935265 /nfs/dbraw/zinc/93/52/65/1058935265.db2.gz QWTRYCUIRMPOLK-LBPRGKRZSA-N -1 0 374.206 2.922 20 30 FFEDRM C=CCCCCCCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC001450781523 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WQFPIHSGZYKISJ-LRDDRELGSA-N -1 0 362.336 2.565 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC001463286029 1062033720 /nfs/dbraw/zinc/03/37/20/1062033720.db2.gz IJKWNYOECLCOAO-UHFFFAOYSA-N -1 0 367.409 2.541 20 30 FFEDRM C=CCCCCCCCNS(=O)(=O)c1cn(C)nc1Br ZINC001463821721 1062280927 /nfs/dbraw/zinc/28/09/27/1062280927.db2.gz TYMQSADSUKDEAQ-UHFFFAOYSA-N -1 0 364.309 2.988 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)cc1C#N ZINC001435226259 1062420783 /nfs/dbraw/zinc/42/07/83/1062420783.db2.gz UVEIPXYSXQJGGF-UHFFFAOYSA-N -1 0 370.434 2.643 20 30 FFEDRM N#Cc1cccc2ncc(OS(=O)(=O)c3cn[n-]c3C(F)(F)F)cc12 ZINC001464639525 1062732943 /nfs/dbraw/zinc/73/29/43/1062732943.db2.gz MDTRNHRLPPQECC-UHFFFAOYSA-N -1 0 368.296 2.616 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccn2)o1 ZINC001464730337 1062786838 /nfs/dbraw/zinc/78/68/38/1062786838.db2.gz FGNMKNVNBISWEQ-QGZVFWFLSA-N -1 0 353.403 2.809 20 30 FFEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1cccc2c1COCC2 ZINC001525423098 1063289297 /nfs/dbraw/zinc/28/92/97/1063289297.db2.gz HIIUTOYLSRWFBJ-INIZCTEOSA-N -1 0 370.355 2.676 20 30 FFEDRM O=C(CSc1n[nH]c(=O)[n-]1)Nc1cccc(C#Cc2cccs2)c1 ZINC001440981862 1063381954 /nfs/dbraw/zinc/38/19/54/1063381954.db2.gz IBRJGAUHMIYELR-UHFFFAOYSA-N -1 0 356.432 2.702 20 30 FFEDRM Cc1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1-c1cccc(F)c1 ZINC001466441203 1063436250 /nfs/dbraw/zinc/43/62/50/1063436250.db2.gz IPZSAKLJIKBHTJ-UHFFFAOYSA-N -1 0 351.341 2.853 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1c(F)cccc1OC(F)F ZINC001467718203 1063828834 /nfs/dbraw/zinc/82/88/34/1063828834.db2.gz ZIJCQJIPYXKMTO-UHFFFAOYSA-N -1 0 351.284 2.638 20 30 FFEDRM N#CCCC[C@H](NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC001470322381 1064305968 /nfs/dbraw/zinc/30/59/68/1064305968.db2.gz FYHPSVZKSJTKOS-HOTGVXAUSA-N -1 0 368.441 2.834 20 30 FFEDRM N#Cc1ccccc1COc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC001574797132 1078082911 /nfs/dbraw/zinc/08/29/11/1078082911.db2.gz CRYDFXKKIBQOEE-UHFFFAOYSA-N -1 0 350.374 2.874 20 30 FFEDRM Cn1c(=O)c2ccc(C(=O)Nc3ccc(CCC#N)cc3)cc2[n-]c1=S ZINC001471939131 1064861710 /nfs/dbraw/zinc/86/17/10/1064861710.db2.gz BASXWFJARSLDTE-UHFFFAOYSA-N -1 0 364.430 2.931 20 30 FFEDRM N#Cc1ncc(NCCCCc2ccc(Cl)s2)nc1-c1nnn[n-]1 ZINC001581884021 1079011850 /nfs/dbraw/zinc/01/18/50/1079011850.db2.gz HKMAUSUIIWXOKN-UHFFFAOYSA-N -1 0 360.834 2.678 20 30 FFEDRM C=CCC[C@H](NC(=O)N=c1nn[n-]n1CC)c1ccc(C(F)(F)F)cc1 ZINC001562802030 1073496186 /nfs/dbraw/zinc/49/61/86/1073496186.db2.gz OLPRCKRLOMLYPY-ZDUSSCGKSA-N -1 0 368.363 2.963 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001557093891 1075807450 /nfs/dbraw/zinc/80/74/50/1075807450.db2.gz VTYBYEXCKCXESJ-STQMWFEESA-N -1 0 359.426 2.550 20 30 FFEDRM N#Cc1nc(NC(=O)Cc2cc(Br)ccc2Cl)[n-]c1C#N ZINC001557255764 1075828272 /nfs/dbraw/zinc/82/82/72/1075828272.db2.gz MNNFIWMNGSHXCW-UHFFFAOYSA-N -1 0 364.590 2.750 20 30 FFEDRM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(CC#N)n3)ccc21 ZINC001561966595 1076456003 /nfs/dbraw/zinc/45/60/03/1076456003.db2.gz OPJFKBHFYWDFCL-UHFFFAOYSA-N -1 0 355.423 2.879 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)[N-]OCC(F)(F)F ZINC001566281343 1076941649 /nfs/dbraw/zinc/94/16/49/1076941649.db2.gz FNACBXGLEIAYCY-JTQLQIEISA-N -1 0 353.341 2.574 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC001568880951 1077116026 /nfs/dbraw/zinc/11/60/26/1077116026.db2.gz JZHQZGVWUOVDRH-UHFFFAOYSA-N -1 0 361.348 2.833 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001570775421 1077230301 /nfs/dbraw/zinc/23/03/01/1077230301.db2.gz KMVUGACSOYCQAJ-ROUUACIJSA-N -1 0 365.433 2.566 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccoc1C(=O)[O-] ZINC001573338657 1077243681 /nfs/dbraw/zinc/24/36/81/1077243681.db2.gz FUOOFFRKJJHJLX-LLVKDONJSA-N -1 0 372.805 2.630 20 30 FFEDRM C#CC[C@@H](NC(=O)c1cc(C(=O)c2cccc3ccccc32)cn1C)C(=O)[O-] ZINC001573303727 1077664352 /nfs/dbraw/zinc/66/43/52/1077664352.db2.gz RCSRWDSUESAUCF-GOSISDBHSA-N -1 0 374.396 2.616 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001573319527 1077669667 /nfs/dbraw/zinc/66/96/67/1077669667.db2.gz DIUBEFAYQNHQRO-UHFFFAOYSA-N -1 0 370.386 2.906 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001573325835 1077670832 /nfs/dbraw/zinc/67/08/32/1077670832.db2.gz PBTULKQQVXBZDM-DZGCQCFKSA-N -1 0 358.221 2.831 20 30 FFEDRM C=C(C)C[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C(=O)OCC ZINC001573327764 1077670920 /nfs/dbraw/zinc/67/09/20/1077670920.db2.gz WFXTUKZCBXSMLG-GDBMZVCRSA-N -1 0 364.442 2.568 20 30 FFEDRM C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])[nH]n2)c1C ZINC001573337487 1077673647 /nfs/dbraw/zinc/67/36/47/1077673647.db2.gz OXBLLCLKSWKBII-AWEZNQCLSA-N -1 0 373.457 2.553 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC001573362530 1077683223 /nfs/dbraw/zinc/68/32/23/1077683223.db2.gz DALAGQJZOMYTAP-OUMXJLHTSA-N -1 0 365.227 2.973 20 30 FFEDRM C=CCOC[C@@H](NC(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573368905 1077684337 /nfs/dbraw/zinc/68/43/37/1077684337.db2.gz LABKMXCMHMHUEB-SJORKVTESA-N -1 0 363.454 2.570 20 30 FFEDRM CC(C)(C)OC(=O)Nc1cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001573454838 1077706632 /nfs/dbraw/zinc/70/66/32/1077706632.db2.gz MKOBFCRAMJHDHH-SFHVURJKSA-N -1 0 361.398 2.654 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573608669 1077754688 /nfs/dbraw/zinc/75/46/88/1077754688.db2.gz VVXWQACUZIEZCQ-YCRPNKLZSA-N -1 0 350.418 2.896 20 30 FFEDRM C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001573689685 1077764490 /nfs/dbraw/zinc/76/44/90/1077764490.db2.gz DVSMSCHIYMHEAF-MFCZKXCZSA-N -1 0 357.454 2.501 20 30 FFEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001573709309 1077769005 /nfs/dbraw/zinc/76/90/05/1077769005.db2.gz AEVNZLHSIUDYGD-VXGBXAGGSA-N -1 0 371.372 2.600 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C#N ZINC001573900059 1077840824 /nfs/dbraw/zinc/84/08/24/1077840824.db2.gz JYRWDTKBVDOWKB-NEPJUHHUSA-N -1 0 374.397 2.844 20 30 FFEDRM N#Cc1c(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)n[nH]c1C1CC1 ZINC001574479207 1077999096 /nfs/dbraw/zinc/99/90/96/1077999096.db2.gz GJCMGVNHRORGSL-GFCCVEGCSA-N -1 0 355.398 2.665 20 30 FFEDRM N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c2)s1 ZINC001574486137 1078000587 /nfs/dbraw/zinc/00/05/87/1078000587.db2.gz RCRUCMQIRJOPJO-OKILXGFUSA-N -1 0 355.419 2.949 20 30 FFEDRM C#C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001588377274 1079999208 /nfs/dbraw/zinc/99/92/08/1079999208.db2.gz KLDHXESTEJMZTO-GFCCVEGCSA-N -1 0 359.179 2.647 20 30 FFEDRM C#C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(Br)cc1 ZINC001588387169 1080001940 /nfs/dbraw/zinc/00/19/40/1080001940.db2.gz GOPQQFLJYBEJJO-QWHCGFSZSA-N -1 0 352.228 2.987 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001588397361 1080008988 /nfs/dbraw/zinc/00/89/88/1080008988.db2.gz GASCBVQZELJTDK-CQSZACIVSA-N -1 0 358.221 2.599 20 30 FFEDRM C#CC[C@@H](NC(=O)[C@H](CC)Cc1ccccc1Br)C(=O)[O-] ZINC001588398864 1080009220 /nfs/dbraw/zinc/00/92/20/1080009220.db2.gz NWHQLBBNTCZLGN-BXUZGUMPSA-N -1 0 352.228 2.611 20 30 FFEDRM C#CC[C@H](NC(=O)CCSc1ccc(Br)cc1)C(=O)[O-] ZINC001588404634 1080012019 /nfs/dbraw/zinc/01/20/19/1080012019.db2.gz DGKRSOIDRSQVSE-LBPRGKRZSA-N -1 0 356.241 2.524 20 30 FFEDRM C#CC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001588408042 1080012534 /nfs/dbraw/zinc/01/25/34/1080012534.db2.gz VVNRKEBUSXNEDA-SECBINFHSA-N -1 0 354.840 2.660 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC001588410050 1080013044 /nfs/dbraw/zinc/01/30/44/1080013044.db2.gz OKBUQVWDAZEVOR-AWEZNQCLSA-N -1 0 362.426 2.520 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001588410990 1080013288 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2.858 20 30 FFEDRM C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588464423 1080037719 /nfs/dbraw/zinc/03/77/19/1080037719.db2.gz QABJSHPMLBHADP-OHTSDLOESA-N -1 0 358.438 2.797 20 30 FFEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001588471543 1080040421 /nfs/dbraw/zinc/04/04/21/1080040421.db2.gz SSTPVZLVQYVLBS-UHFFFAOYSA-N -1 0 361.394 2.656 20 30 FFEDRM C#CCOc1ccc(CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)cc1 ZINC001588497684 1080059856 /nfs/dbraw/zinc/05/98/56/1080059856.db2.gz VEBNJSVFEKWNNY-UHFFFAOYSA-N -1 0 354.406 2.916 20 30 FFEDRM C#CCOc1cccc(NC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001588504052 1080061211 /nfs/dbraw/zinc/06/12/11/1080061211.db2.gz FJGGBPDYOXGITQ-OAQYLSRUSA-N -1 0 364.401 2.959 20 30 FFEDRM C#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001588518082 1080069490 /nfs/dbraw/zinc/06/94/90/1080069490.db2.gz PLJZIOLTLBPRRU-VLIAUNLRSA-N -1 0 369.442 2.824 20 30 FFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2ccnc3c(C(=O)[O-])cccc23)c1 ZINC001588523534 1080076628 /nfs/dbraw/zinc/07/66/28/1080076628.db2.gz NLSNXQDVORNPTA-UHFFFAOYSA-N -1 0 373.412 2.985 20 30 FFEDRM C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001588523556 1080076909 /nfs/dbraw/zinc/07/69/09/1080076909.db2.gz OHVUAEJLFYALCN-CYBMUJFWSA-N -1 0 365.389 2.616 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC001588536382 1080085334 /nfs/dbraw/zinc/08/53/34/1080085334.db2.gz XGRFWPMMKQHPCN-SFHVURJKSA-N -1 0 359.357 2.677 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001588535672 1080085380 /nfs/dbraw/zinc/08/53/80/1080085380.db2.gz QJUKSGAZUDYVMC-YJBOKZPZSA-N -1 0 372.421 2.954 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001588541495 1080087334 /nfs/dbraw/zinc/08/73/34/1080087334.db2.gz CTZHJNYSAXIUGK-GOSISDBHSA-N -1 0 350.334 2.689 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CCC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588540890 1080087894 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C=C(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588591646 1080114256 /nfs/dbraw/zinc/11/42/56/1080114256.db2.gz LDAZYFBWQAHSLH-DOTOQJQBSA-N -1 0 363.421 2.742 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588591919 1080114778 /nfs/dbraw/zinc/11/47/78/1080114778.db2.gz OGUMJWRRBLXLKF-LBTNJELSSA-N -1 0 366.437 2.530 20 30 FFEDRM C=C(C)Cn1c(CSC(F)(F)F)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588597657 1080118135 /nfs/dbraw/zinc/11/81/35/1080118135.db2.gz JHWZPNDXBPPWPI-LBPRGKRZSA-N -1 0 368.356 2.610 20 30 FFEDRM C=C(C)Cn1c(CCC)nnc1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588597907 1080118518 /nfs/dbraw/zinc/11/85/18/1080118518.db2.gz NCVTYGHPEMCRGB-UHFFFAOYSA-N -1 0 359.430 2.877 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC001588612807 1080122518 /nfs/dbraw/zinc/12/25/18/1080122518.db2.gz XJKDKDIQUBRZFX-OAHLLOKOSA-N -1 0 356.422 2.550 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](COC)c1cccc(Br)c1 ZINC001588622111 1080124912 /nfs/dbraw/zinc/12/49/12/1080124912.db2.gz OTHAVMGSELBESJ-ZDUSSCGKSA-N -1 0 356.216 2.674 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001588623861 1080126549 /nfs/dbraw/zinc/12/65/49/1080126549.db2.gz ZIVKMGABNPYVBJ-GOSISDBHSA-N -1 0 354.447 2.561 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001588634204 1080129313 /nfs/dbraw/zinc/12/93/13/1080129313.db2.gz YKIHRTPNQSXAGS-GOSISDBHSA-N -1 0 369.417 2.709 20 30 FFEDRM C=CCn1c(-c2coc(-c3nn[nH]n3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588704698 1080162062 /nfs/dbraw/zinc/16/20/62/1080162062.db2.gz OIZLFMRNBDSPCQ-LBPRGKRZSA-N -1 0 354.418 2.531 20 30 FFEDRM C=CC[C@H](CO)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588745323 1080178299 /nfs/dbraw/zinc/17/82/99/1080178299.db2.gz YBXGKWWHDIZETP-SECBINFHSA-N -1 0 357.204 2.514 20 30 FFEDRM C=CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccncc1 ZINC001588743064 1080178440 /nfs/dbraw/zinc/17/84/40/1080178440.db2.gz QQMTUEZFYYODNM-MRXNPFEDSA-N -1 0 355.394 2.905 20 30 FFEDRM C=CC[C@H](CO)NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001588745435 1080178840 /nfs/dbraw/zinc/17/88/40/1080178840.db2.gz ZHIRLGVCMRBEOP-CYBMUJFWSA-N -1 0 357.366 2.631 20 30 FFEDRM C=CC[C@@H](CO)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001588743759 1080178969 /nfs/dbraw/zinc/17/89/69/1080178969.db2.gz CNLCQRWEQYLKQX-ZDUSSCGKSA-N -1 0 370.361 2.873 20 30 FFEDRM C=CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)c1ccncc1 ZINC001588749006 1080180039 /nfs/dbraw/zinc/18/00/39/1080180039.db2.gz CMTVOTXQJNZLBV-AWEZNQCLSA-N -1 0 364.398 2.823 20 30 FFEDRM C=CC[C@H](Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)[O-] ZINC001588751912 1080180976 /nfs/dbraw/zinc/18/09/76/1080180976.db2.gz QSXBNBKEUCIVNP-HNNXBMFYSA-N -1 0 364.446 2.896 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588771291 1080187819 /nfs/dbraw/zinc/18/78/19/1080187819.db2.gz ROSICROHIBNFQF-PHYFXXPTSA-N -1 0 350.459 2.833 20 30 FFEDRM C=CCCC[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001588789049 1080196811 /nfs/dbraw/zinc/19/68/11/1080196811.db2.gz WHVMYFPDQOVDHZ-AWEZNQCLSA-N -1 0 365.227 2.789 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588792924 1080198952 /nfs/dbraw/zinc/19/89/52/1080198952.db2.gz QDCJUVGJSGIKOL-LBPRGKRZSA-N -1 0 371.187 2.897 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)C(=O)[O-] ZINC001588794038 1080199770 /nfs/dbraw/zinc/19/97/70/1080199770.db2.gz JUKRCGHVFANFFO-GFCCVEGCSA-N -1 0 369.343 2.981 20 30 FFEDRM C=CCCC[C@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC001588794297 1080199882 /nfs/dbraw/zinc/19/98/82/1080199882.db2.gz QHPDKRQUVVTXEP-ZWKOTPCHSA-N -1 0 360.454 2.951 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588798446 1080201438 /nfs/dbraw/zinc/20/14/38/1080201438.db2.gz FQNWXYGXYSIWLF-LBPRGKRZSA-N -1 0 369.336 2.932 20 30 FFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588799688 1080201475 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ZINC000825264209 604166688 /nfs/dbraw/zinc/16/66/88/604166688.db2.gz IZEKTXLFEVBLAJ-AAEUAGOBSA-N -1 0 364.833 2.518 20 30 FFEDRM C[C@@H](NC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccc(C#N)c1 ZINC000825054830 604205853 /nfs/dbraw/zinc/20/58/53/604205853.db2.gz HKRYOMNGZFECDP-SNVBAGLBSA-N -1 0 370.340 2.603 20 30 FFEDRM Cc1ccc(C(O)=C(C#N)c2nnc3n2CCCCC3)cc1NC(=O)[O-] ZINC000830177311 604226936 /nfs/dbraw/zinc/22/69/36/604226936.db2.gz YRLWITDAHOXQOQ-CYBMUJFWSA-N -1 0 353.382 2.893 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829904984 604335179 /nfs/dbraw/zinc/33/51/79/604335179.db2.gz YFRQRAUEHBKUAQ-CYBMUJFWSA-N -1 0 373.434 2.674 20 30 FFEDRM N#Cc1ccc([C@@H](O)CN2CCCc3cc(CNC(=O)[O-])ccc32)cc1 ZINC000831122974 604364168 /nfs/dbraw/zinc/36/41/68/604364168.db2.gz YDYSJJYHJRTTLD-IBGZPJMESA-N -1 0 351.406 2.812 20 30 FFEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000826090473 604386816 /nfs/dbraw/zinc/38/68/16/604386816.db2.gz 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C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cccc(F)c1F ZINC000833376370 604913596 /nfs/dbraw/zinc/91/35/96/604913596.db2.gz UGRBFCUSUZFFAB-UHFFFAOYSA-N -1 0 360.363 2.501 20 30 FFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(C(=O)[O-])s3)n2)c1 ZINC000833073514 604913624 /nfs/dbraw/zinc/91/36/24/604913624.db2.gz CXDYEGKEXFNZLO-UHFFFAOYSA-N -1 0 352.375 2.638 20 30 FFEDRM C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833378984 604914676 /nfs/dbraw/zinc/91/46/76/604914676.db2.gz SDBBLEJSUZOKEF-CQSZACIVSA-N -1 0 374.437 2.539 20 30 FFEDRM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833760400 604924986 /nfs/dbraw/zinc/92/49/86/604924986.db2.gz PZTUEYUERPSZMU-UHFFFAOYSA-N -1 0 364.365 2.604 20 30 FFEDRM CC(C)CCN(CCC#N)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833483081 605024662 /nfs/dbraw/zinc/02/46/62/605024662.db2.gz GNJBWPGWLNYTAW-UHFFFAOYSA-N -1 0 358.847 2.989 20 30 FFEDRM CC(C)N(CCC#N)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833496496 605025177 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CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000827730538 605163760 /nfs/dbraw/zinc/16/37/60/605163760.db2.gz KXQCDISZXYWBDY-UHFFFAOYSA-N -1 0 359.426 2.753 20 30 FFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1nc2ccccn2c1C#N ZINC000833634342 605181768 /nfs/dbraw/zinc/18/17/68/605181768.db2.gz GTYCHQXSLBZTPJ-AWEZNQCLSA-N -1 0 361.405 2.619 20 30 FFEDRM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833685488 605218738 /nfs/dbraw/zinc/21/87/38/605218738.db2.gz AFARNWPOPJCTDI-CYBMUJFWSA-N -1 0 362.183 2.547 20 30 FFEDRM N#C[C@H](COC(=O)C[C@H]1CSCCN1C(=O)[O-])Cc1ccc(F)cc1 ZINC000831065066 605350200 /nfs/dbraw/zinc/35/02/00/605350200.db2.gz OHBLLEYPWMVYND-HIFRSBDPSA-N -1 0 366.414 2.537 20 30 FFEDRM N#Cc1ccc(COC(=O)CC[C@H]2CCN(C(=O)[O-])C2)c(OC(F)F)c1 ZINC000833972306 605426758 /nfs/dbraw/zinc/42/67/58/605426758.db2.gz ZMFDUMNQEKHOAT-NSHDSACASA-N -1 0 368.336 2.983 20 30 FFEDRM N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC34CCN(C(=O)[O-])CC4)CC2)cc1 ZINC000833972943 605452344 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C=CCOC[C@@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668289964 733102889 /nfs/dbraw/zinc/10/28/89/733102889.db2.gz HTUWVBLXLJIMTM-CYBMUJFWSA-N -1 0 359.344 2.912 20 30 FFEDRM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000882845818 733302691 /nfs/dbraw/zinc/30/26/91/733302691.db2.gz XTLBJFYGFRAAAG-JTQLQIEISA-N -1 0 374.256 2.801 20 30 FFEDRM COC(=O)[C@H]([N-]C(=O)C(F)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000885509594 733669440 /nfs/dbraw/zinc/66/94/40/733669440.db2.gz XWAZOOCSATXMJB-BDAKNGLRSA-N -1 0 361.213 2.936 20 30 FFEDRM Cc1c(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)nn1C ZINC000886412315 733786515 /nfs/dbraw/zinc/78/65/15/733786515.db2.gz BLTZXLWTWNSMQV-UHFFFAOYSA-N -1 0 358.345 2.728 20 30 FFEDRM C=CC[C@H](NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000681558201 734003984 /nfs/dbraw/zinc/00/39/84/734003984.db2.gz OFPYOKWABGGNTM-NSHDSACASA-N -1 0 372.855 2.771 20 30 FFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000684741045 734265871 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2.815 20 30 FFEDRM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001540831603 1071012713 /nfs/dbraw/zinc/01/27/13/1071012713.db2.gz QDIZPMJAPFUCJH-OAHLLOKOSA-N -1 0 367.405 2.660 20 30 FFEDRM C=CCN(Cc1ccccc1F)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001291953976 1049016243 /nfs/dbraw/zinc/01/62/43/1049016243.db2.gz GFLMVTRNZPRNMJ-UHFFFAOYSA-N -1 0 353.353 2.997 20 30 FFEDRM CN(C(=O)C1CC1)c1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001334017766 1049203632 /nfs/dbraw/zinc/20/36/32/1049203632.db2.gz WNRNQWAVWQPEKB-UHFFFAOYSA-N -1 0 369.446 2.926 20 30 FFEDRM Cn1c(C=NNC[C@@H]2CCCC2(F)F)c(Br)cc1C(=O)[O-] ZINC001330730030 1049297453 /nfs/dbraw/zinc/29/74/53/1049297453.db2.gz YECWEAYHTOABEJ-QMMMGPOBSA-N -1 0 364.190 2.845 20 30 FFEDRM CC/C=C/Cn1c(C2CC2)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001293695254 1049608787 /nfs/dbraw/zinc/60/87/87/1049608787.db2.gz WRASFVAZQKYEDF-ONEGZZNKSA-N -1 0 350.426 2.657 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001294459845 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BUEHHIDFRKLLFH-AWEZNQCLSA-N -1 0 371.404 2.601 20 30 FFEDRM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001347337339 1053859167 /nfs/dbraw/zinc/85/91/67/1053859167.db2.gz HEEAMMDHFWZAJH-NXEZZACHSA-N -1 0 350.831 2.832 20 30 FFEDRM CCO[C@H]1CCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC(C)C)C1 ZINC001347599685 1054143688 /nfs/dbraw/zinc/14/36/88/1054143688.db2.gz KDSLRGBUERZPMK-INIZCTEOSA-N -1 0 370.457 2.579 20 30 FFEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccccc2C#N)ccc1C(C)C ZINC001337476321 1054783607 /nfs/dbraw/zinc/78/36/07/1054783607.db2.gz SFZQAAHSVKTXLG-UHFFFAOYSA-N -1 0 372.446 2.874 20 30 FFEDRM C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001338072256 1055208174 /nfs/dbraw/zinc/20/81/74/1055208174.db2.gz JMVGWDVXCLHDOZ-CXAGYDPISA-N -1 0 360.421 2.837 20 30 FFEDRM CCOc1cc(C#N)ccc1OC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC001350370591 1055744577 /nfs/dbraw/zinc/74/45/77/1055744577.db2.gz YBHFDHROPHOSOI-UHFFFAOYSA-N -1 0 355.375 2.870 20 30 FFEDRM C[C@@H]1[C@@H](c2ccccc2)CCN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001350597445 1055853335 /nfs/dbraw/zinc/85/33/35/1055853335.db2.gz BVGOCZVXJORJKZ-DYVFJYSZSA-N -1 0 360.421 2.837 20 30 FFEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001353156289 1056132034 /nfs/dbraw/zinc/13/20/34/1056132034.db2.gz QTGUYIIGZZTYSE-RBUKOAKNSA-N -1 0 361.401 2.939 20 30 FFEDRM Cc1cc(C(=O)N=c2cc(C)n3[n-]c(C(F)(F)F)nc3n2)cc(C)c1C#N ZINC001351282502 1056171277 /nfs/dbraw/zinc/17/12/77/1056171277.db2.gz WNSQJLKTINWNFT-UHFFFAOYSA-N -1 0 374.326 2.614 20 30 FFEDRM COc1cc(F)c([C@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1OC ZINC001443844768 1058248168 /nfs/dbraw/zinc/24/81/68/1058248168.db2.gz WFFFRRNCBVAWQC-JTQLQIEISA-N -1 0 359.357 2.615 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC001448857873 1058832198 /nfs/dbraw/zinc/83/21/98/1058832198.db2.gz LDKMKDWNVFASRS-UHFFFAOYSA-N -1 0 369.331 2.898 20 30 FFEDRM Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001519613955 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361.789 2.599 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)c1 ZINC001546332977 1060529987 /nfs/dbraw/zinc/52/99/87/1060529987.db2.gz RLBPNRNLZGMCGK-UHFFFAOYSA-N -1 0 356.403 2.842 20 30 FFEDRM CCOc1cc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)ccc1[N+](=O)[O-] ZINC001528242762 1061824383 /nfs/dbraw/zinc/82/43/83/1061824383.db2.gz RANGAXDFMYBZCT-UHFFFAOYSA-N -1 0 374.378 2.940 20 30 FFEDRM N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001528622562 1061980763 /nfs/dbraw/zinc/98/07/63/1061980763.db2.gz CSJCRFTYSGQXBT-UHFFFAOYSA-N -1 0 363.295 2.533 20 30 FFEDRM CC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccccc1F ZINC001463950336 1062346467 /nfs/dbraw/zinc/34/64/67/1062346467.db2.gz VLZCBKYVCGYRSA-INIZCTEOSA-N -1 0 364.373 2.754 20 30 FFEDRM COc1ccc(C[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)cc1C#N ZINC001464391985 1062585372 /nfs/dbraw/zinc/58/53/72/1062585372.db2.gz OUUITNXZYQEJJQ-UHFFFAOYSA-N -1 0 367.814 2.564 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2F)cc1C#N 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/nfs/dbraw/zinc/12/50/79/1080125079.db2.gz OTHAVMGSELBESJ-CYBMUJFWSA-N -1 0 356.216 2.674 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588633510 1080129281 /nfs/dbraw/zinc/12/92/81/1080129281.db2.gz NCFCDJIVIJVLSK-MRXNPFEDSA-N -1 0 374.220 2.919 20 30 FFEDRM C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588643713 1080135751 /nfs/dbraw/zinc/13/57/51/1080135751.db2.gz SVKVPKSZHOSOBH-ZDUSSCGKSA-N -1 0 366.874 2.984 20 30 FFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NOCCCC(=O)[O-])s1 ZINC001588643367 1080135806 /nfs/dbraw/zinc/13/58/06/1080135806.db2.gz HCIRRYIMUPGFQC-UHFFFAOYSA-N -1 0 364.876 2.751 20 30 FFEDRM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001588644430 1080137079 /nfs/dbraw/zinc/13/70/79/1080137079.db2.gz WCBGCVYMKTYYRS-XYPHTWIQSA-N -1 0 356.422 2.598 20 30 FFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2OC)CC1 ZINC001588649747 1080139597 /nfs/dbraw/zinc/13/95/97/1080139597.db2.gz APVDGQZFTMDEKL-UHFFFAOYSA-N -1 0 357.403 2.557 20 30 FFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001588676855 1080150485 /nfs/dbraw/zinc/15/04/85/1080150485.db2.gz GHZRAMGUVUDPRX-UHFFFAOYSA-N -1 0 355.456 2.802 20 30 FFEDRM C=C[C@H](COC)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588693246 1080158319 /nfs/dbraw/zinc/15/83/19/1080158319.db2.gz USIGWXYCLXVNLO-SNVBAGLBSA-N -1 0 357.204 2.778 20 30 FFEDRM C=CCn1c(C2CC=CC2)nnc1N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001588703712 1080162490 /nfs/dbraw/zinc/16/24/90/1080162490.db2.gz SKNXSESKKVIMDA-UHFFFAOYSA-N -1 0 360.425 2.598 20 30 FFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001588719741 1080169357 /nfs/dbraw/zinc/16/93/57/1080169357.db2.gz XJCGDKDCSDKGBC-NSHDSACASA-N -1 0 359.831 2.776 20 30 FFEDRM C=CCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588736524 1080176495 /nfs/dbraw/zinc/17/64/95/1080176495.db2.gz NAXNYZQSESXXQA-UHFFFAOYSA-N -1 0 354.428 2.512 20 30 FFEDRM C=CC[C@@H](OC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588751282 1080180771 /nfs/dbraw/zinc/18/07/71/1080180771.db2.gz KOYZKZFFGWVYAQ-GZMMTYOYSA-N -1 0 360.193 2.684 20 30 FFEDRM C=CC[C@@H](OC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)C(=O)[O-] ZINC001588757009 1080181624 /nfs/dbraw/zinc/18/16/24/1080181624.db2.gz RYSJZWYBQOJCIO-OAHLLOKOSA-N -1 0 370.398 2.728 20 30 FFEDRM C=CC[C@@H](Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)C(=O)[O-] ZINC001588759153 1080182677 /nfs/dbraw/zinc/18/26/77/1080182677.db2.gz QHUKCINHOKEPTJ-GFCCVEGCSA-N -1 0 366.395 2.884 20 30 FFEDRM C=CC[C@@]1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588762907 1080183963 /nfs/dbraw/zinc/18/39/63/1080183963.db2.gz NCEHZNBWVDSXEI-KUHUBIRLSA-N -1 0 364.442 2.622 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001588771195 1080187868 /nfs/dbraw/zinc/18/78/68/1080187868.db2.gz QNMLNBXVZBQRSR-BXUZGUMPSA-N -1 0 368.411 2.706 20 30 FFEDRM C=CCCC(C)(C)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588777125 1080190969 /nfs/dbraw/zinc/19/09/69/1080190969.db2.gz UNFCNYCGNBQJDA-UHFFFAOYSA-N -1 0 350.390 2.879 20 30 FFEDRM CC(C)(CCNS(=O)(=O)c1c(C#N)sc2ccccc21)C(=O)[O-] ZINC001588778373 1080192137 /nfs/dbraw/zinc/19/21/37/1080192137.db2.gz PWNGTEZWKYPOTH-UHFFFAOYSA-N -1 0 352.437 2.552 20 30 FFEDRM C=CCC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588779070 1080192235 /nfs/dbraw/zinc/19/22/35/1080192235.db2.gz SBZMKSOMZMZPDQ-CYBMUJFWSA-N -1 0 372.343 2.554 20 30 FFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cn2c(n1)CCCC2 ZINC001588781069 1080192940 /nfs/dbraw/zinc/19/29/40/1080192940.db2.gz BKRHBPGOLZHUIL-UHFFFAOYSA-N -1 0 369.433 2.521 20 30 FFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc(F)c(O)c1 ZINC001588781341 1080193835 /nfs/dbraw/zinc/19/38/35/1080193835.db2.gz VRWFPAINXHREGG-UHFFFAOYSA-N -1 0 359.365 2.833 20 30 FFEDRM C=CCCC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccccc1 ZINC001588788760 1080196569 /nfs/dbraw/zinc/19/65/69/1080196569.db2.gz MWTBNGXUHCSSGB-SJORKVTESA-N -1 0 358.438 2.523 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)C(=O)[O-] ZINC001588793087 1080198657 /nfs/dbraw/zinc/19/86/57/1080198657.db2.gz SDPNRGMWBPLJDQ-JTQLQIEISA-N -1 0 370.331 2.596 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)[O-] ZINC001588793483 1080198873 /nfs/dbraw/zinc/19/88/73/1080198873.db2.gz YDDKYJRUHKAYHM-MRXNPFEDSA-N -1 0 358.369 2.516 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588794209 1080199756 /nfs/dbraw/zinc/19/97/56/1080199756.db2.gz OJUGMFORNGZKPJ-SSHHRWTQSA-N -1 0 366.458 2.606 20 30 FFEDRM C=CCCC[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC001588794294 1080199979 /nfs/dbraw/zinc/19/99/79/1080199979.db2.gz QHPDKRQUVVTXEP-MSOLQXFVSA-N -1 0 360.454 2.951 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2c1CCCC2)C(=O)[O-] ZINC001588797459 1080200492 /nfs/dbraw/zinc/20/04/92/1080200492.db2.gz FEMHANUQKKPLJS-SNVBAGLBSA-N -1 0 359.348 2.778 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C(=O)[O-] ZINC001588797308 1080200568 /nfs/dbraw/zinc/20/05/68/1080200568.db2.gz CAIRGVLPOWPYOL-GFCCVEGCSA-N -1 0 366.215 2.865 20 30 FFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001588799869 1080201634 /nfs/dbraw/zinc/20/16/34/1080201634.db2.gz MQSYYABVLQLIOW-UHFFFAOYSA-N -1 0 350.390 2.976 20 30 FFEDRM C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001588829122 1080209532 /nfs/dbraw/zinc/20/95/32/1080209532.db2.gz CTRQXWOJUXAEJF-AWEZNQCLSA-N -1 0 370.405 2.664 20 30 FFEDRM C=CCNc1ncc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])s1 ZINC001588849482 1080217176 /nfs/dbraw/zinc/21/71/76/1080217176.db2.gz TVVCQNUTROQUBE-ZDUSSCGKSA-N -1 0 371.418 2.913 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(Nc2ccccc2OC)cc1)C(=O)[O-] ZINC001588862285 1080221258 /nfs/dbraw/zinc/22/12/58/1080221258.db2.gz VADIMKFBVXOIIJ-KRWDZBQOSA-N -1 0 370.405 2.824 20 30 FFEDRM C=CCOCc1nnc(N2CCc3ccc(C(=O)[O-])cc3C2)n1CC1CC1 ZINC001588868385 1080222307 /nfs/dbraw/zinc/22/23/07/1080222307.db2.gz BOTJXEGHVIYUKS-UHFFFAOYSA-N -1 0 368.437 2.652 20 30 FFEDRM C=CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC001588872802 1080223307 /nfs/dbraw/zinc/22/33/07/1080223307.db2.gz KYAPIGJKWAPRLC-UHFFFAOYSA-N -1 0 365.382 2.567 20 30 FFEDRM C=CCOc1ccc(CC(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC001588873663 1080225219 /nfs/dbraw/zinc/22/52/19/1080225219.db2.gz FRUGANKNAQNUOQ-LJQANCHMSA-N -1 0 367.401 2.538 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)Nc2cnn(CC(=O)[O-])c2C)cc1OC ZINC001588875020 1080226884 /nfs/dbraw/zinc/22/68/84/1080226884.db2.gz QDFGGTSAHUCROZ-SOFGYWHQSA-N -1 0 371.393 2.501 20 30 FFEDRM C=CCn1c(-c2ccncc2)nn(CN2CCC[C@](C)(C(=O)[O-])C2)c1=S ZINC001588889711 1080237468 /nfs/dbraw/zinc/23/74/68/1080237468.db2.gz BEDHCOMKXLDRHY-SFHVURJKSA-N -1 0 373.482 2.806 20 30 FFEDRM C=CCn1c(-c2ccncc2)nn(CN2CCC(CC(=O)[O-])CC2)c1=S ZINC001588890214 1080239230 /nfs/dbraw/zinc/23/92/30/1080239230.db2.gz SYRUXHFPHXEUAT-UHFFFAOYSA-N -1 0 373.482 2.806 20 30 FFEDRM C=CCn1c(-c2nc3ccccc3s2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588891970 1080239498 /nfs/dbraw/zinc/23/94/98/1080239498.db2.gz YJQHKQMAIBOJAD-QGZVFWFLSA-N -1 0 373.413 2.744 20 30 FFEDRM C=CCn1c([C@@H](O)C2CCCC2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588895230 1080243642 /nfs/dbraw/zinc/24/36/42/1080243642.db2.gz AOFBEKVTIZHKPU-PBHICJAKSA-N -1 0 362.474 2.769 20 30 FFEDRM C=CCn1c([C@H](CC)[C@H](O)c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588895509 1080245597 /nfs/dbraw/zinc/24/55/97/1080245597.db2.gz HMFIWUIUOHMYMY-BRWVUGGUSA-N -1 0 370.453 2.602 20 30 FFEDRM C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588898208 1080247190 /nfs/dbraw/zinc/24/71/90/1080247190.db2.gz SYXHCEDJVATGMV-GUYCJALGSA-N -1 0 368.437 2.617 20 30 FFEDRM C=CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588904371 1080253496 /nfs/dbraw/zinc/25/34/96/1080253496.db2.gz PSYRXZJPSVIKAF-UKRRQHHQSA-N -1 0 358.417 2.741 20 30 FFEDRM C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588904647 1080253526 /nfs/dbraw/zinc/25/35/26/1080253526.db2.gz YOHGLGMUYCZNBF-DOTOQJQBSA-N -1 0 354.454 2.910 20 30 FFEDRM C=CCn1c(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)nnc1C(C)(C)C#N ZINC001588905129 1080254557 /nfs/dbraw/zinc/25/45/57/1080254557.db2.gz QNZXIBBWCKDPOD-HZPDHXFCSA-N -1 0 365.437 2.570 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc2cnccc2c1 ZINC001589024656 1080310458 /nfs/dbraw/zinc/31/04/58/1080310458.db2.gz VCAAQIFMUIXHDX-QGZVFWFLSA-N -1 0 365.389 2.639 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(-c2ccccc2)s1 ZINC001589027849 1080312493 /nfs/dbraw/zinc/31/24/93/1080312493.db2.gz XHKWHVCNRKOSEO-AWEZNQCLSA-N -1 0 358.444 2.862 20 30 FFEDRM C[C@](NCC(=O)Nc1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001589122749 1080374589 /nfs/dbraw/zinc/37/45/89/1080374589.db2.gz MDWIIOPNZRZZHZ-GOSISDBHSA-N -1 0 357.797 2.740 20 30 FFEDRM CC(=O)Nc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1F ZINC001589187525 1080403911 /nfs/dbraw/zinc/40/39/11/1080403911.db2.gz IITZJXYPVOVWPQ-UHFFFAOYSA-N -1 0 356.309 2.711 20 30 FFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001589218177 1080425953 /nfs/dbraw/zinc/42/59/53/1080425953.db2.gz QCGPMVNCJPIXDI-KRWDZBQOSA-N -1 0 358.785 2.837 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)N2CCCc3cc(C#N)ccc32)c(C(=O)[O-])c1C ZINC001589236368 1080438818 /nfs/dbraw/zinc/43/88/18/1080438818.db2.gz FCKNVHBKGPXVCN-UHFFFAOYSA-N -1 0 365.389 2.618 20 30 FFEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnn(C3CCC3)c2)o1 ZINC001589238077 1080440141 /nfs/dbraw/zinc/44/01/41/1080440141.db2.gz ODBHJQMYHNWOMA-UHFFFAOYSA-N -1 0 355.406 2.520 20 30 FFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001589331943 1080485970 /nfs/dbraw/zinc/48/59/70/1080485970.db2.gz UNAZSTASTOXETO-PXAZEXFGSA-N -1 0 363.439 2.694 20 30 FFEDRM C[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001589392777 1080512906 /nfs/dbraw/zinc/51/29/06/1080512906.db2.gz MXRJWRVOXPJJAV-GDBMZVCRSA-N -1 0 366.421 2.647 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC001589558464 1080606140 /nfs/dbraw/zinc/60/61/40/1080606140.db2.gz QGUOLCPAYBNTTQ-UHFFFAOYSA-N -1 0 358.423 2.999 20 30 FFEDRM CCCc1c(NC(=O)N2CCC[C@H]2C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001589688702 1080670804 /nfs/dbraw/zinc/67/08/04/1080670804.db2.gz PNUROJVXFZQLQK-KRWDZBQOSA-N -1 0 367.409 2.777 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001590286346 1081141046 /nfs/dbraw/zinc/14/10/46/1081141046.db2.gz DSMVFAYVRNSCSS-ZNMIVQPWSA-N -1 0 374.393 2.530 20 30 FFEDRM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000288276037 257168833 /nfs/dbraw/zinc/16/88/33/257168833.db2.gz UVJNDSYGEBCRJZ-OAHLLOKOSA-N -1 0 362.407 2.513 20 30 FFEDRM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000288621728 257212354 /nfs/dbraw/zinc/21/23/54/257212354.db2.gz VSSHICWMDUZACN-HSZRJFAPSA-N -1 0 366.464 2.999 20 30 FFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n1 ZINC000290963126 257368583 /nfs/dbraw/zinc/36/85/83/257368583.db2.gz ORAZUPCBVUZKLW-UHFFFAOYSA-N -1 0 372.450 2.830 20 30 FFEDRM CC(C)c1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290502343 257336319 /nfs/dbraw/zinc/33/63/19/257336319.db2.gz HSVKAXJWBIFXGI-QGZVFWFLSA-N -1 0 373.434 2.571 20 30 FFEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000299590395 258007797 /nfs/dbraw/zinc/00/77/97/258007797.db2.gz KVZFWAOFZPXEFN-HNNXBMFYSA-N -1 0 373.434 2.620 20 30 FFEDRM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)no1 ZINC000331196029 258179510 /nfs/dbraw/zinc/17/95/10/258179510.db2.gz UJYCUCDJRDWBQV-UHFFFAOYSA-N -1 0 365.459 2.737 20 30 FFEDRM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000032096173 506229475 /nfs/dbraw/zinc/22/94/75/506229475.db2.gz OPGDUWYGLDPMLR-UHFFFAOYSA-N -1 0 353.407 2.637 20 30 FFEDRM N#C[C@H]1N(C(=O)c2nn(-c3ccccc3)cc2[O-])CCC[C@]12CCCCO2 ZINC000377276678 512197411 /nfs/dbraw/zinc/19/74/11/512197411.db2.gz HSBIUVZHCGKDCV-YLJYHZDGSA-N -1 0 366.421 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C=C(C)Cn1c(-c2cnoc2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588578460 1080106416 /nfs/dbraw/zinc/10/64/16/1080106416.db2.gz IBLDJHNVDRWNQS-UHFFFAOYSA-N -1 0 359.430 2.899 20 30 FFEDRM C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588579068 1080107212 /nfs/dbraw/zinc/10/72/12/1080107212.db2.gz SVOJHPFLEQLWHK-GOSISDBHSA-N -1 0 371.397 2.730 20 30 FFEDRM C=C(C)Cn1c([C@@H]2CC=NO2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588591448 1080114230 /nfs/dbraw/zinc/11/42/30/1080114230.db2.gz JJMRUZJZQILQJA-KGLIPLIRSA-N -1 0 361.446 2.629 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588591920 1080114742 /nfs/dbraw/zinc/11/47/42/1080114742.db2.gz OGUMJWRRBLXLKF-QWQRMKEZSA-N -1 0 366.437 2.530 20 30 FFEDRM C=C(C)Cn1c(CC(F)F)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588597779 1080118523 /nfs/dbraw/zinc/11/85/23/1080118523.db2.gz LPUHLUHHAYNSFO-LBPRGKRZSA-N -1 0 356.417 2.989 20 30 FFEDRM C=C(C)Cn1c(CC[C@H]2CCCO2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588597162 1080118654 /nfs/dbraw/zinc/11/86/54/1080118654.db2.gz APIYVLNBHQFLRW-DNVCBOLYSA-N -1 0 362.474 2.657 20 30 FFEDRM C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588598466 1080119579 /nfs/dbraw/zinc/11/95/79/1080119579.db2.gz CYMNZBFDBRJXGX-FQEVSTJZSA-N -1 0 370.453 2.755 20 30 FFEDRM C=C(C)c1cccc(NC(=O)C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001588605244 1080121716 /nfs/dbraw/zinc/12/17/16/1080121716.db2.gz FBVBGJPADILMIA-INIZCTEOSA-N -1 0 370.327 2.524 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001588614952 1080122690 /nfs/dbraw/zinc/12/26/90/1080122690.db2.gz FPHYRZPPCKQPKV-LIRRHRJNSA-N -1 0 366.458 2.703 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC001588622682 1080125207 /nfs/dbraw/zinc/12/52/07/1080125207.db2.gz CCUROECGEIQEPK-INIZCTEOSA-N -1 0 351.406 2.538 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588632947 1080129721 /nfs/dbraw/zinc/12/97/21/1080129721.db2.gz GBIBXBWUXPGDPP-DOTOQJQBSA-N -1 0 359.422 2.575 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001588634190 1080129898 /nfs/dbraw/zinc/12/98/98/1080129898.db2.gz YDZSMRGHBYMWTA-QGZVFWFLSA-N -1 0 369.417 2.709 20 30 FFEDRM C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588643583 1080135605 /nfs/dbraw/zinc/13/56/05/1080135605.db2.gz MOTWUEBJFQGMEL-UHFFFAOYSA-N -1 0 366.874 2.984 20 30 FFEDRM C=CC(C)(C)CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588676830 1080150630 /nfs/dbraw/zinc/15/06/30/1080150630.db2.gz DOHLWBXHWDFDFR-UHFFFAOYSA-N -1 0 354.428 2.512 20 30 FFEDRM C=CC(C)(C)Cc1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H]1CCCO1 ZINC001588680693 1080152070 /nfs/dbraw/zinc/15/20/70/1080152070.db2.gz FRWKKDPGCKDDDG-HNNXBMFYSA-N -1 0 362.474 2.513 20 30 FFEDRM C=CC(C)(C)Cc1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H]1CCCO1 ZINC001588680695 1080152264 /nfs/dbraw/zinc/15/22/64/1080152264.db2.gz FRWKKDPGCKDDDG-OAHLLOKOSA-N -1 0 362.474 2.513 20 30 FFEDRM C=CCOc1cccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC001588690294 1080157077 /nfs/dbraw/zinc/15/70/77/1080157077.db2.gz YCIFYFXHDAPEAC-UHFFFAOYSA-N -1 0 353.386 2.989 20 30 FFEDRM C=C[C@@H](O)c1nnc(N2CCC(CCC(=O)[O-])CC2)n1Cc1ccccc1 ZINC001588704229 1080162077 /nfs/dbraw/zinc/16/20/77/1080162077.db2.gz DAEKKOYSXFPNOS-QGZVFWFLSA-N -1 0 370.453 2.627 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588706350 1080163086 /nfs/dbraw/zinc/16/30/86/1080163086.db2.gz JQDRDXFHQGWNDP-CYBMUJFWSA-N -1 0 369.462 2.581 20 30 FFEDRM C=CC1(CC(=O)Nc2ccc(C(=O)[O-])nc2)CN(C(=O)OC(C)(C)C)C1 ZINC001588719594 1080169341 /nfs/dbraw/zinc/16/93/41/1080169341.db2.gz WGMHVDXPXFZVEE-UHFFFAOYSA-N -1 0 361.398 2.532 20 30 FFEDRM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588736332 1080176050 /nfs/dbraw/zinc/17/60/50/1080176050.db2.gz XNTYOAOAUTYSLG-SECBINFHSA-N -1 0 369.215 2.557 20 30 FFEDRM C=CCC(F)(F)C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001588742622 1080178775 /nfs/dbraw/zinc/17/87/75/1080178775.db2.gz HKIVWMUYZMPNSO-UHFFFAOYSA-N -1 0 359.350 2.628 20 30 FFEDRM C=CC[C@@H](NC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccncc1 ZINC001588742692 1080178811 /nfs/dbraw/zinc/17/88/11/1080178811.db2.gz IUSPZDIEQKOYHX-IUODEOHRSA-N -1 0 357.332 2.747 20 30 FFEDRM C=CCC[C@@H](CO)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588778181 1080192317 /nfs/dbraw/zinc/19/23/17/1080192317.db2.gz WSTLNTVVXMCWLU-JTQLQIEISA-N -1 0 371.231 2.904 20 30 FFEDRM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588782996 1080194699 /nfs/dbraw/zinc/19/46/99/1080194699.db2.gz SBSIDKFNPHQGJR-SECBINFHSA-N -1 0 356.781 2.977 20 30 FFEDRM C=CCCC[C@@H](NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588788504 1080196583 /nfs/dbraw/zinc/19/65/83/1080196583.db2.gz DWXMEJYMNVSDAY-LSDHHAIUSA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)[O-] ZINC001588792235 1080197692 /nfs/dbraw/zinc/19/76/92/1080197692.db2.gz AIZRHPARSTZOEX-HNNXBMFYSA-N -1 0 354.410 2.888 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCN1c1ncnc2ccccc21)C(=O)[O-] ZINC001588790076 1080197821 /nfs/dbraw/zinc/19/78/21/1080197821.db2.gz PSGVITNUQUHGIZ-IRXDYDNUSA-N -1 0 368.437 2.524 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)C(=O)[O-] ZINC001588792877 1080198886 /nfs/dbraw/zinc/19/88/86/1080198886.db2.gz ORFCCFLLHSQLTO-KFNAQCHYSA-N -1 0 362.401 2.960 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cn1c(CSC)nc2ccccc21)C(=O)[O-] ZINC001588794271 1080199905 /nfs/dbraw/zinc/19/99/05/1080199905.db2.gz PPUAINJVCUPMRI-CQSZACIVSA-N -1 0 361.467 2.825 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001588831783 1080211385 /nfs/dbraw/zinc/21/13/85/1080211385.db2.gz PUMJJOUPZIJPIA-UHFFFAOYSA-N -1 0 350.421 2.661 20 30 FFEDRM C=CCOC[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC001588855638 1080219618 /nfs/dbraw/zinc/21/96/18/1080219618.db2.gz NHOPYWMTEWJYEW-LBPRGKRZSA-N -1 0 358.221 2.797 20 30 FFEDRM C=CCOC[C@@H](NC(=O)C[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC001588853968 1080219636 /nfs/dbraw/zinc/21/96/36/1080219636.db2.gz MTNRIKRHYNYELU-BXUZGUMPSA-N -1 0 370.243 2.715 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001588860062 1080220624 /nfs/dbraw/zinc/22/06/24/1080220624.db2.gz HOXWKBKXFMUNSR-ZDUSSCGKSA-N -1 0 352.456 2.885 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(Oc2cc(C)ccn2)cc1)C(=O)[O-] ZINC001588862239 1080221722 /nfs/dbraw/zinc/22/17/22/1080221722.db2.gz SPOZNTCGESEIET-INIZCTEOSA-N -1 0 356.378 2.568 20 30 FFEDRM C=CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1 ZINC001588869478 1080222193 /nfs/dbraw/zinc/22/21/93/1080222193.db2.gz DFEPIRFTGCRICF-KRWDZBQOSA-N -1 0 357.362 2.521 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001588873007 1080223218 /nfs/dbraw/zinc/22/32/18/1080223218.db2.gz ZDBWVJFKZFSNCQ-KRWDZBQOSA-N -1 0 361.419 2.862 20 30 FFEDRM C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)cc1 ZINC001588874158 1080225561 /nfs/dbraw/zinc/22/55/61/1080225561.db2.gz YTNRBNFCKZWHJZ-AYBZRNKSSA-N -1 0 361.438 2.569 20 30 FFEDRM C=CCSCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588879489 1080230243 /nfs/dbraw/zinc/23/02/43/1080230243.db2.gz ADABLNOXADRMSY-UHFFFAOYSA-N -1 0 361.423 2.739 20 30 FFEDRM C=CCSc1ccccc1NC(=O)COC(=O)c1ccnc(C(=O)[O-])c1 ZINC001588882461 1080231371 /nfs/dbraw/zinc/23/13/71/1080231371.db2.gz UOTBYFUBZIDEQX-UHFFFAOYSA-N -1 0 372.402 2.853 20 30 FFEDRM C=CCn1c(-c2ccc(Cl)s2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001588889147 1080236870 /nfs/dbraw/zinc/23/68/70/1080236870.db2.gz NGQAJNPBDMXDJJ-HNNXBMFYSA-N -1 0 368.846 2.526 20 30 FFEDRM C=CCn1c(-c2ccc3cccnc3c2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588889508 1080237773 /nfs/dbraw/zinc/23/77/73/1080237773.db2.gz WVPBSYCLCUFDKX-IBGZPJMESA-N -1 0 367.384 2.682 20 30 FFEDRM C=CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588889956 1080237898 /nfs/dbraw/zinc/23/78/98/1080237898.db2.gz JBWKSJSEYLOTNF-ZDUSSCGKSA-N -1 0 355.398 2.677 20 30 FFEDRM C=CCn1c(-c2ccco2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588890185 1080238954 /nfs/dbraw/zinc/23/89/54/1080238954.db2.gz RUABZZGAQQDPFC-UHFFFAOYSA-N -1 0 350.378 2.985 20 30 FFEDRM C=CCn1c([C@H](O)C2CCCC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588895489 1080245082 /nfs/dbraw/zinc/24/50/82/1080245082.db2.gz HDUXIEGNUGBNNX-MRXNPFEDSA-N -1 0 374.441 2.924 20 30 FFEDRM C=CCn1c([C@H](O)CC(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588895468 1080245541 /nfs/dbraw/zinc/24/55/41/1080245541.db2.gz GPODHYCMQTYOQX-HUUCEWRRSA-N -1 0 350.463 2.625 20 30 FFEDRM C=CCn1c(CC2CCCC2)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588898475 1080247302 /nfs/dbraw/zinc/24/73/02/1080247302.db2.gz ZIPLUBUFJGPBMA-UHFFFAOYSA-N -1 0 367.453 2.853 20 30 FFEDRM C=CCn1c(N2CCC(CCC(=O)[O-])CC2)nnc1[C@]12CCC=C1OCC2 ZINC001588904401 1080253097 /nfs/dbraw/zinc/25/30/97/1080253097.db2.gz QSIZXQXGRPLALY-FQEVSTJZSA-N -1 0 372.469 2.881 20 30 FFEDRM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588925246 1080269453 /nfs/dbraw/zinc/26/94/53/1080269453.db2.gz NVEOYUYHWOKTBX-INIZCTEOSA-N -1 0 374.437 2.650 20 30 FFEDRM C[C@](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)(C(=O)[O-])c1ccccc1 ZINC001589122795 1080374915 /nfs/dbraw/zinc/37/49/15/1080374915.db2.gz IAUCXPOFRPRRLT-WIYYLYMNSA-N -1 0 363.417 2.643 20 30 FFEDRM CC(=O)Nc1cc(Cl)c(NC(=O)c2ncc(C#N)cc2C)cc1C(=O)[O-] ZINC001589179683 1080399673 /nfs/dbraw/zinc/39/96/73/1080399673.db2.gz VXBLNZNJBLMVPX-UHFFFAOYSA-N -1 0 372.768 2.824 20 30 FFEDRM CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC001589205976 1080418114 /nfs/dbraw/zinc/41/81/14/1080418114.db2.gz RVXMQLYOZCEYIF-KRWDZBQOSA-N -1 0 352.346 2.808 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001589334368 1080486858 /nfs/dbraw/zinc/48/68/58/1080486858.db2.gz CHJHAVSXRAPYMW-GWMLXNDSSA-N -1 0 373.409 2.511 20 30 FFEDRM C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C(=O)[O-] ZINC001589348072 1080494458 /nfs/dbraw/zinc/49/44/58/1080494458.db2.gz 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CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(C(=O)[O-])nc2C#N)C1 ZINC001590016380 1080943390 /nfs/dbraw/zinc/94/33/90/1080943390.db2.gz YPWLUMQCTMAFNK-LBPRGKRZSA-N -1 0 360.414 2.710 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC1(C)C ZINC001590148077 1081050977 /nfs/dbraw/zinc/05/09/77/1081050977.db2.gz UYMDXCYJFRHXKR-MRXNPFEDSA-N -1 0 373.453 2.992 20 30 FFEDRM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN(CC#N)CCC(=O)[O-])CC1 ZINC001590206679 1081091255 /nfs/dbraw/zinc/09/12/55/1081091255.db2.gz OPCDVJQUWNENSQ-SHTZXODSSA-N -1 0 353.463 2.618 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)C(=O)N2CCc3cccc(F)c3[C@H]2C)[n-]1 ZINC000536977796 540667085 /nfs/dbraw/zinc/66/70/85/540667085.db2.gz JUIRATWFWBQBOV-GFCCVEGCSA-N -1 0 369.400 2.559 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)C(=O)N2CCc3cccc(F)c3[C@@H]2C)[n-]1 ZINC000536977797 540667296 /nfs/dbraw/zinc/66/72/96/540667296.db2.gz JUIRATWFWBQBOV-LBPRGKRZSA-N -1 0 369.400 2.559 20 30 FFEDRM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000041521611 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FFEDRM N#Cc1c(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nc2cc(Cl)ccn21 ZINC000263556697 510747352 /nfs/dbraw/zinc/74/73/52/510747352.db2.gz OUOHKQUTGDDZLN-RKDXNWHRSA-N -1 0 358.707 2.559 20 30 FFEDRM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000195440634 510826798 /nfs/dbraw/zinc/82/67/98/510826798.db2.gz XMYNMAGKWJOJJU-UHFFFAOYSA-N -1 0 371.447 2.639 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cn1 ZINC000195442406 510827272 /nfs/dbraw/zinc/82/72/72/510827272.db2.gz QMWCKNQMKHOJED-UHFFFAOYSA-N -1 0 366.402 2.728 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cn1 ZINC000195444153 510828074 /nfs/dbraw/zinc/82/80/74/510828074.db2.gz YOWDRQVAFWHJJP-UHFFFAOYSA-N -1 0 359.798 2.593 20 30 FFEDRM C=CCCc1noc(-c2ccc3c(c2)[n-]c(=S)n(CCCOC)c3=O)n1 ZINC000297448761 510950312 /nfs/dbraw/zinc/95/03/12/510950312.db2.gz WTWIRBKURNESBA-UHFFFAOYSA-N -1 0 372.450 2.890 20 30 FFEDRM Cc1c(Br)cc(/C([O-])=N/[C@H](CO)CCC(C)(C)C)c(=O)n1C ZINC000331085698 511041110 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FFEDRM CCc1noc(C)c1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000292869063 511752256 /nfs/dbraw/zinc/75/22/56/511752256.db2.gz SEKWBCIIJJYPEQ-UHFFFAOYSA-N -1 0 373.356 2.914 20 30 FFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1F ZINC000307942197 511767119 /nfs/dbraw/zinc/76/71/19/511767119.db2.gz CVHIVKWXYFCBDY-UHFFFAOYSA-N -1 0 356.176 2.656 20 30 FFEDRM C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000322402021 511824258 /nfs/dbraw/zinc/82/42/58/511824258.db2.gz UGTULBCIDJXCFY-HIFRSBDPSA-N -1 0 356.831 2.523 20 30 FFEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000322996847 511828984 /nfs/dbraw/zinc/82/89/84/511828984.db2.gz BSWRDZHSJHBLEZ-UHFFFAOYSA-N -1 0 353.743 2.626 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(Cl)c1 ZINC000326640308 511861093 /nfs/dbraw/zinc/86/10/93/511861093.db2.gz VJXFDMSRLUOFBK-CQSZACIVSA-N -1 0 370.858 2.914 20 30 FFEDRM CC(C)[C@H](C(=O)[O-])N(Cc1cccc(F)c1)S(=O)(=O)CCCCC#N ZINC000275166880 512061691 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COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435719106 513666846 /nfs/dbraw/zinc/66/68/46/513666846.db2.gz INTZLRGHTUXEAU-UHFFFAOYSA-N -1 0 359.407 2.635 20 30 FFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2sccc2-n2cnnn2)s1 ZINC000430623371 513706162 /nfs/dbraw/zinc/70/61/62/513706162.db2.gz NCHHPLVMPKSWMQ-VIFPVBQESA-N -1 0 358.452 2.968 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(-c2ccc(F)cc2)o1 ZINC000430632702 513708507 /nfs/dbraw/zinc/70/85/07/513708507.db2.gz ZHSDEWXRUKRWOT-UHFFFAOYSA-N -1 0 374.353 2.557 20 30 FFEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416398106 513751087 /nfs/dbraw/zinc/75/10/87/513751087.db2.gz CWMAAYKEQRMSCA-CQSZACIVSA-N -1 0 360.391 2.514 20 30 FFEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2nn(-c3ccc(C#N)cn3)cc2C)s1 ZINC000431180919 513846411 /nfs/dbraw/zinc/84/64/11/513846411.db2.gz QVZRDNXVXLQTKV-UHFFFAOYSA-N -1 0 373.463 2.927 20 30 FFEDRM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000443057660 513855225 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FFEDRM Cc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(C#N)cc1N(C)C ZINC000584204797 518225148 /nfs/dbraw/zinc/22/51/48/518225148.db2.gz BLXMUXSIPPWACA-UHFFFAOYSA-N -1 0 373.434 2.505 20 30 FFEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000584255319 518249240 /nfs/dbraw/zinc/24/92/40/518249240.db2.gz DICBUHHAORHLEG-UHFFFAOYSA-N -1 0 373.482 2.810 20 30 FFEDRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1 ZINC000578543578 518260340 /nfs/dbraw/zinc/26/03/40/518260340.db2.gz BMWQQAVPPPNXIR-MAUKXSAKSA-N -1 0 350.422 2.996 20 30 FFEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000584408843 518327165 /nfs/dbraw/zinc/32/71/65/518327165.db2.gz JSCIWJDTGOWNGU-SNVBAGLBSA-N -1 0 356.400 2.625 20 30 FFEDRM N#Cc1cccc(COc2cccc(CN=c3[n-]nc(CO)s3)c2)c1 ZINC000567057736 518331578 /nfs/dbraw/zinc/33/15/78/518331578.db2.gz GCYGYMJDYHKLMI-UHFFFAOYSA-N -1 0 352.419 2.515 20 30 FFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C#N ZINC000578844579 518398512 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Cc1cc(Cn2nnc(C([O-])=C(C#N)c3nccc4ccccc43)c2C)no1 ZINC000579385592 518655573 /nfs/dbraw/zinc/65/55/73/518655573.db2.gz FESONOQHAYMNQR-QGZVFWFLSA-N -1 0 372.388 2.970 20 30 FFEDRM C=CCSCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000564923023 518697777 /nfs/dbraw/zinc/69/77/77/518697777.db2.gz AJSWZRPHMZITFC-UHFFFAOYSA-N -1 0 369.386 2.601 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000582362565 518718417 /nfs/dbraw/zinc/71/84/17/518718417.db2.gz LWLIZPPOICVUEM-QVKFZJNVSA-N -1 0 364.401 2.580 20 30 FFEDRM N#CCc1ccc(CS(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)cc1 ZINC000567870189 518759302 /nfs/dbraw/zinc/75/93/02/518759302.db2.gz VELNFNKHPXKAGX-UHFFFAOYSA-N -1 0 359.455 2.791 20 30 FFEDRM N#CCc1ccc(CS(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000567870288 518760085 /nfs/dbraw/zinc/76/00/85/518760085.db2.gz YIRVHILAJYALTL-UHFFFAOYSA-N -1 0 369.450 2.878 20 30 FFEDRM Cc1cc(C)c(S(=O)(=O)N2CCc3ccc(C#N)cc32)cc1C(=O)[O-] ZINC000576891918 518813721 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COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000589594388 519038231 /nfs/dbraw/zinc/03/82/31/519038231.db2.gz PEVLTHCYYILVCO-UHFFFAOYSA-N -1 0 366.345 2.732 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCc1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000580283678 519095953 /nfs/dbraw/zinc/09/59/53/519095953.db2.gz QTTCUIBKKLTCGL-MRXNPFEDSA-N -1 0 368.437 2.580 20 30 FFEDRM Cc1cccc(S(=O)(=O)N(CC(=O)[O-])[C@@H](C)Cc2ccccc2)c1C#N ZINC000583366229 519209249 /nfs/dbraw/zinc/20/92/49/519209249.db2.gz FLJWTEBZYAGXBK-HNNXBMFYSA-N -1 0 372.446 2.573 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(C#N)C2)ccc1F ZINC000590491812 519247655 /nfs/dbraw/zinc/24/76/55/519247655.db2.gz KNLQQQISNIJOMV-UHFFFAOYSA-N -1 0 373.409 2.531 20 30 FFEDRM C=CCC[C@H](NC(=O)NCCc1ccc(-n2nc(C)cc2C)cc1)C(=O)[O-] ZINC000571758588 519261771 /nfs/dbraw/zinc/26/17/71/519261771.db2.gz XNFRTBNMAVDPIL-SFHVURJKSA-N -1 0 370.453 2.750 20 30 FFEDRM N#CC1CN(C(=O)N=c2[n-]nc(-c3cccc(OC(F)(F)F)c3)s2)C1 ZINC000590835395 519392525 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C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000566545929 519543976 /nfs/dbraw/zinc/54/39/76/519543976.db2.gz WGOPSKVYLPPYKZ-OLZOCXBDSA-N -1 0 362.480 2.966 20 30 FFEDRM N#CC1(c2ccccn2)CCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000591270175 519566743 /nfs/dbraw/zinc/56/67/43/519566743.db2.gz VLWHLSSDRZDQMI-UHFFFAOYSA-N -1 0 364.405 2.547 20 30 FFEDRM N#CC1([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000569598742 519625477 /nfs/dbraw/zinc/62/54/77/519625477.db2.gz KKXDHFBTZCXCTN-UHFFFAOYSA-N -1 0 353.600 2.576 20 30 FFEDRM Cc1cc(Cl)ccc1C1=CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1 ZINC000602881918 519946841 /nfs/dbraw/zinc/94/68/41/519946841.db2.gz MLDHLRIGYOKLAV-UHFFFAOYSA-N -1 0 355.829 2.997 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)[n-]1 ZINC000602888536 519951054 /nfs/dbraw/zinc/95/10/54/519951054.db2.gz VFCBKMZSBWCZTF-UHFFFAOYSA-N -1 0 371.285 2.889 20 30 FFEDRM C[C@@H](CC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1)C(=O)[O-] ZINC000594572707 520032379 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Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)cn2)nc(C)n1 ZINC000592365695 520353434 /nfs/dbraw/zinc/35/34/34/520353434.db2.gz SHLUVEYJORBITI-CQSZACIVSA-N -1 0 352.394 2.934 20 30 FFEDRM C=CCCSCCNC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000597971949 520356038 /nfs/dbraw/zinc/35/60/38/520356038.db2.gz NCTXJRXWACGXQA-UHFFFAOYSA-N -1 0 353.394 2.895 20 30 FFEDRM COCCOCc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000600663318 520381783 /nfs/dbraw/zinc/38/17/83/520381783.db2.gz CHJULMOHEVCAOG-UHFFFAOYSA-N -1 0 360.435 2.831 20 30 FFEDRM N#Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000600676697 520391521 /nfs/dbraw/zinc/39/15/21/520391521.db2.gz ZXOXGOWDEQTNBR-QGZVFWFLSA-N -1 0 356.813 2.555 20 30 FFEDRM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc12 ZINC000603973966 520418076 /nfs/dbraw/zinc/41/80/76/520418076.db2.gz QPCWMUZSRHEAMT-UHFFFAOYSA-N -1 0 361.814 2.603 20 30 FFEDRM Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](C[C@@H](C)C(=O)[O-])C1 ZINC000600890955 520515326 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CC(C)N(CCC(=O)N[C@@H](C#N)c1cccc(Br)c1)C(=O)[O-] ZINC000738840617 601945352 /nfs/dbraw/zinc/94/53/52/601945352.db2.gz WZUKNUYNXJSOAX-ZDUSSCGKSA-N -1 0 368.231 2.908 20 30 FFEDRM C[C@H](Oc1ccc(C=NNc2nc3ccccc3c(=O)[nH]2)cc1)C(=O)[O-] ZINC000794918159 602076736 /nfs/dbraw/zinc/07/67/36/602076736.db2.gz BPEUVNCLVHQXIP-NSHDSACASA-N -1 0 352.350 2.633 20 30 FFEDRM Cc1nn(CC(F)(F)F)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833015730 602104807 /nfs/dbraw/zinc/10/48/07/602104807.db2.gz KXHIOXRDGFVRFT-ZDUSSCGKSA-N -1 0 367.283 2.608 20 30 FFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C[C@H]3COC(=O)C3)c2)c1 ZINC000833097370 602181191 /nfs/dbraw/zinc/18/11/91/602181191.db2.gz MBKDHUSIVUCGMG-MRXNPFEDSA-N -1 0 363.369 2.676 20 30 FFEDRM C#Cc1cccc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2OC)c1 ZINC000738471091 602232651 /nfs/dbraw/zinc/23/26/51/602232651.db2.gz PIEDRNQFMIMFHS-INIZCTEOSA-N -1 0 369.446 2.972 20 30 FFEDRM N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](NC(=O)[O-])C3)o2)cc1 ZINC000738431216 602240019 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20 30 FFEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000738730500 602896568 /nfs/dbraw/zinc/89/65/68/602896568.db2.gz MFCZLSGNDKHECH-DLBZAZTESA-N -1 0 373.453 2.824 20 30 FFEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])s2)cc1 ZINC000740315946 602946670 /nfs/dbraw/zinc/94/66/70/602946670.db2.gz SNDQGANGYZQLOY-HUUCEWRRSA-N -1 0 370.434 2.980 20 30 FFEDRM C[C@@H](C(=O)NCc1cc(C#N)ccc1F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823706160 603020121 /nfs/dbraw/zinc/02/01/21/603020121.db2.gz ZOTLUBGBMJLMRB-PXAZEXFGSA-N -1 0 355.369 2.959 20 30 FFEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738505347 603037413 /nfs/dbraw/zinc/03/74/13/603037413.db2.gz KOKORVXDBIGRMU-NSHDSACASA-N -1 0 372.343 3.000 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2CCN(C(=O)[O-])CC2)c1 ZINC000739209517 603039121 /nfs/dbraw/zinc/03/91/21/603039121.db2.gz PBSRSXNNKVOSNV-INIZCTEOSA-N -1 0 374.441 2.557 20 30 FFEDRM COC(=O)[C@@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccc(C#N)cc1 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/nfs/dbraw/zinc/04/92/50/605049250.db2.gz PLOAMMSGEHKYPB-MRXNPFEDSA-N -1 0 358.419 2.689 20 30 FFEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)C2CCC(C(=O)[O-])CC2)ccc1OC ZINC000833636385 605086656 /nfs/dbraw/zinc/08/66/56/605086656.db2.gz PYLPLNCUAYQXFI-GPANFISMSA-N -1 0 374.437 2.883 20 30 FFEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000829303566 605142800 /nfs/dbraw/zinc/14/28/00/605142800.db2.gz YDMUFPQPFMBOBT-GOSISDBHSA-N -1 0 369.442 2.846 20 30 FFEDRM C=CCOc1cccnc1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000262762941 605172448 /nfs/dbraw/zinc/17/24/48/605172448.db2.gz LAIIXZJDIDYZDK-MRXNPFEDSA-N -1 0 354.406 2.628 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000833636127 605177889 /nfs/dbraw/zinc/17/78/89/605177889.db2.gz ITMOQMPPEFYKAS-OAHLLOKOSA-N -1 0 354.366 2.782 20 30 FFEDRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])cc1C#N ZINC000824419257 605307407 /nfs/dbraw/zinc/30/74/07/605307407.db2.gz WFHCGPSAFMZEHK-HNNXBMFYSA-N -1 0 360.414 2.952 20 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ZINC000833972323 605722238 /nfs/dbraw/zinc/72/22/38/605722238.db2.gz AGMFLOMVPUCDCS-JYJNAYRXSA-N -1 0 356.378 2.595 20 30 FFEDRM N#Cc1ccc(C(=O)COC(=O)C[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000833972855 605725046 /nfs/dbraw/zinc/72/50/46/605725046.db2.gz IAIVSSUCOSOHEN-INIZCTEOSA-N -1 0 352.346 2.683 20 30 FFEDRM N#Cc1cccc(C(=O)COC(=O)[C@H]2c3ccccc3CCN2C(=O)[O-])c1 ZINC000833976432 605725089 /nfs/dbraw/zinc/72/50/89/605725089.db2.gz GAUHRFBNRWXWNP-GOSISDBHSA-N -1 0 364.357 2.562 20 30 FFEDRM Cn1c2ccccc2nc1N=NC1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-] ZINC000833942497 605739738 /nfs/dbraw/zinc/73/97/38/605739738.db2.gz VAWQCVTXNLEGHI-BLLLJJGKSA-N -1 0 357.414 2.520 20 30 FFEDRM C=CCc1cc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cc(OC)c1OC ZINC000823521957 605792332 /nfs/dbraw/zinc/79/23/32/605792332.db2.gz OEVDTXRYPVDPQB-MRXNPFEDSA-N -1 0 374.437 2.789 20 30 FFEDRM N#Cc1ccc(OCc2ccc(C(=O)NC[C@H](NC(=O)[O-])C3CC3)o2)cc1 ZINC000833977644 605874204 /nfs/dbraw/zinc/87/42/04/605874204.db2.gz QWUGVVRTEYYBSC-INIZCTEOSA-N -1 0 369.377 2.506 20 30 FFEDRM N#Cc1ccc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[O-])cc1 ZINC000833971282 605875335 /nfs/dbraw/zinc/87/53/35/605875335.db2.gz CRKFZVMVFYYNDA-SFHVURJKSA-N -1 0 363.373 2.962 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833375597 605891813 /nfs/dbraw/zinc/89/18/13/605891813.db2.gz ATJTUKQOSAUSLE-UHFFFAOYSA-N -1 0 358.419 2.908 20 30 FFEDRM N#C[C@H](C(=O)CCCCNC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961153 605909138 /nfs/dbraw/zinc/90/91/38/605909138.db2.gz OSXFBIKKJARIRM-SNVBAGLBSA-N -1 0 355.753 2.564 20 30 FFEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833940218 606084386 /nfs/dbraw/zinc/08/43/86/606084386.db2.gz HVLCZBZYMHMJFQ-AWEZNQCLSA-N -1 0 354.410 2.920 20 30 FFEDRM COc1cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)ccc1O ZINC000821708770 606856762 /nfs/dbraw/zinc/85/67/62/606856762.db2.gz ZJEHTHZEUWOPTQ-UHFFFAOYSA-N -1 0 371.401 2.604 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2c[nH]c3ccc(C#N)cc23)o1 ZINC000820198210 607148394 /nfs/dbraw/zinc/14/83/94/607148394.db2.gz SPMAUAXEGFNKGS-UHFFFAOYSA-N -1 0 361.369 2.777 20 30 FFEDRM Clc1cc(NN=Cc2cn(-c3ccccc3)nn2)ccc1-c1nn[nH]n1 ZINC000826351551 609471936 /nfs/dbraw/zinc/47/19/36/609471936.db2.gz QWERHTRLXVTWOB-UHFFFAOYSA-N -1 0 365.788 2.547 20 30 FFEDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000613647850 676138699 /nfs/dbraw/zinc/13/86/99/676138699.db2.gz DQQCZYHLAVEYOF-UHFFFAOYSA-N -1 0 358.242 2.887 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc3c(s2)CCC3)cc1 ZINC000155046235 728818853 /nfs/dbraw/zinc/81/88/53/728818853.db2.gz FUZZGRDJDQVMPD-OAHLLOKOSA-N -1 0 354.431 2.884 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(Cl)c(F)c2)c1 ZINC000162130601 728939526 /nfs/dbraw/zinc/93/95/26/728939526.db2.gz DXVNTHYOUJLDOE-UHFFFAOYSA-N -1 0 352.774 2.611 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000744034508 735329389 /nfs/dbraw/zinc/32/93/89/735329389.db2.gz DESFKGDMZUAKQE-QMMMGPOBSA-N -1 0 365.176 2.644 20 30 FFEDRM C=CCCC(=O)[N-]S(=O)(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000744261221 735343673 /nfs/dbraw/zinc/34/36/73/735343673.db2.gz UIZQKDRDWOWBJQ-UHFFFAOYSA-N -1 0 373.356 2.662 20 30 FFEDRM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1n[n-]c2ccccc2c1=O ZINC000899095463 735446015 /nfs/dbraw/zinc/44/60/15/735446015.db2.gz GCEOQXNXSKQWSD-UHFFFAOYSA-N -1 0 371.212 2.898 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(C)nn(C)c3s2)n1 ZINC000021697693 727835413 /nfs/dbraw/zinc/83/54/13/727835413.db2.gz BNAPVCUVQREDOE-NSHDSACASA-N -1 0 374.447 2.741 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)cc2)cc1C ZINC000042273870 727957010 /nfs/dbraw/zinc/95/70/10/727957010.db2.gz NBBZPKUPNSDUAZ-UHFFFAOYSA-N -1 0 356.407 2.578 20 30 FFEDRM Cc1ccc(-n2cc(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)nn2)cc1 ZINC000048422868 728047745 /nfs/dbraw/zinc/04/77/45/728047745.db2.gz ZMXIDHLTAUQSBZ-UHFFFAOYSA-N -1 0 356.407 2.578 20 30 FFEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000048530333 728052696 /nfs/dbraw/zinc/05/26/96/728052696.db2.gz IGDLWHWVHSJFIO-NKSUMMKUSA-N -1 0 362.451 2.735 20 30 FFEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000048530332 728052926 /nfs/dbraw/zinc/05/29/26/728052926.db2.gz IGDLWHWVHSJFIO-WOLCWHLNSA-N -1 0 362.451 2.735 20 30 FFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCOc1cc(C)cc(C)c1 ZINC000048535063 728053567 /nfs/dbraw/zinc/05/35/67/728053567.db2.gz XHVONRBMSYULST-UHFFFAOYSA-N -1 0 365.455 2.768 20 30 FFEDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2 ZINC000050206504 728061547 /nfs/dbraw/zinc/06/15/47/728061547.db2.gz YPGHBOJQDDHXLO-UHFFFAOYSA-N -1 0 362.363 2.627 20 30 FFEDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)s1 ZINC000058044048 728112791 /nfs/dbraw/zinc/11/27/91/728112791.db2.gz IYGIMNUFOUXJGM-UHFFFAOYSA-N -1 0 358.485 3.000 20 30 FFEDRM CC(C)COc1cccc(C(=O)[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000058050481 728113409 /nfs/dbraw/zinc/11/34/09/728113409.db2.gz DEOUQLDZCUFPIR-UHFFFAOYSA-N -1 0 371.846 2.802 20 30 FFEDRM COCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000066004193 728164879 /nfs/dbraw/zinc/16/48/79/728164879.db2.gz JNGHOLQJAZFWNS-UHFFFAOYSA-N -1 0 371.361 2.684 20 30 FFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)NC(=O)C1CCCC1 ZINC000066229967 728167567 /nfs/dbraw/zinc/16/75/67/728167567.db2.gz RXQLUPNDZYCPQL-GFCCVEGCSA-N -1 0 370.446 2.697 20 30 FFEDRM NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)cc1 ZINC000067743449 728184185 /nfs/dbraw/zinc/18/41/85/728184185.db2.gz MJWXNKFTMNAUSZ-UHFFFAOYSA-N -1 0 367.471 2.861 20 30 FFEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCC2=O)cc1 ZINC000073087228 728217596 /nfs/dbraw/zinc/21/75/96/728217596.db2.gz XTIIDVWDJNPOGC-KRWDZBQOSA-N -1 0 366.483 2.931 20 30 FFEDRM C[C@@H](Oc1cccc(C=NNC(=S)Nc2ccc(F)cc2)c1)C(=O)[O-] ZINC000746679698 735504682 /nfs/dbraw/zinc/50/46/82/735504682.db2.gz UJYASNFJBPVCNF-LLVKDONJSA-N -1 0 361.398 2.998 20 30 FFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000073838062 728227118 /nfs/dbraw/zinc/22/71/18/728227118.db2.gz CVTJNVQDHHJBAC-UHFFFAOYSA-N -1 0 354.350 2.846 20 30 FFEDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sc(-c2cccs2)nc1C ZINC000073838601 728227219 /nfs/dbraw/zinc/22/72/19/728227219.db2.gz BBBQSQLZZZAGDZ-MRVPVSSYSA-N -1 0 360.482 2.849 20 30 FFEDRM CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000075040400 728243114 /nfs/dbraw/zinc/24/31/14/728243114.db2.gz WIUIMVDRKKJACQ-ZDUSSCGKSA-N -1 0 370.446 2.818 20 30 FFEDRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000075799146 728251813 /nfs/dbraw/zinc/25/18/13/728251813.db2.gz FAKXRFFBNFBGHZ-HNNXBMFYSA-N -1 0 364.398 2.738 20 30 FFEDRM CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000076807557 728267044 /nfs/dbraw/zinc/26/70/44/728267044.db2.gz ACNZGIJAHJTTAC-UHFFFAOYSA-N -1 0 366.414 2.906 20 30 FFEDRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000076910144 728268537 /nfs/dbraw/zinc/26/85/37/728268537.db2.gz HIUCQKHXTHRDNP-ZDUSSCGKSA-N -1 0 363.483 2.745 20 30 FFEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)C1CCOCC1 ZINC000077943456 728289798 /nfs/dbraw/zinc/28/97/98/728289798.db2.gz RMFZSRUJJPQXDX-UHFFFAOYSA-N -1 0 362.245 2.829 20 30 FFEDRM CCc1ccccc1N1C[C@@H](C(=O)[N-]S(=O)(=O)C2CCCC2)CC1=O ZINC000086055385 728431191 /nfs/dbraw/zinc/43/11/91/728431191.db2.gz UHUFPQVJHTZFPH-AWEZNQCLSA-N -1 0 364.467 2.831 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(F)F)n2)cc1 ZINC000089963670 728447672 /nfs/dbraw/zinc/44/76/72/728447672.db2.gz PVIWSHLTTVMQEK-UHFFFAOYSA-N -1 0 356.350 2.727 20 30 FFEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC000089963737 728447679 /nfs/dbraw/zinc/44/76/79/728447679.db2.gz GIYNOYYFNNOGLC-UHFFFAOYSA-N -1 0 356.350 2.727 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)c(F)cc1F ZINC000092316790 728466368 /nfs/dbraw/zinc/46/63/68/728466368.db2.gz HMTLXJSWQHPYEI-UHFFFAOYSA-N -1 0 371.409 2.998 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccsc2)cc1Cl ZINC000107023542 728514728 /nfs/dbraw/zinc/51/47/28/728514728.db2.gz FFBMYGPHUUPWHX-UHFFFAOYSA-N -1 0 354.840 2.711 20 30 FFEDRM CC[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000111942669 728538872 /nfs/dbraw/zinc/53/88/72/728538872.db2.gz RMLPJHSKIWHIAF-MRXNPFEDSA-N -1 0 360.460 2.934 20 30 FFEDRM CC[C@@H](OC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000119003412 728586429 /nfs/dbraw/zinc/58/64/29/728586429.db2.gz HLBMUYHHYQAPHT-QGZVFWFLSA-N -1 0 364.467 2.632 20 30 FFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000119165537 728589122 /nfs/dbraw/zinc/58/91/22/728589122.db2.gz SMCMXRBBNCCOSZ-UHFFFAOYSA-N -1 0 352.393 2.778 20 30 FFEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1OC(F)F ZINC000119717436 728598988 /nfs/dbraw/zinc/59/89/88/728598988.db2.gz LRVXXTMSVYDQBA-LBPRGKRZSA-N -1 0 352.337 2.678 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000122705569 728650700 /nfs/dbraw/zinc/65/07/00/728650700.db2.gz QFZJLYCHMZJQLX-LLVKDONJSA-N -1 0 353.769 2.669 20 30 FFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)C2=CCCCC2)c1 ZINC000124692990 728673330 /nfs/dbraw/zinc/67/33/30/728673330.db2.gz CZRMQEKCUQZWMD-UHFFFAOYSA-N -1 0 369.240 2.626 20 30 FFEDRM CC(=O)CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000125642539 728685843 /nfs/dbraw/zinc/68/58/43/728685843.db2.gz OLKNFHZATRYBNL-UHFFFAOYSA-N -1 0 370.858 2.946 20 30 FFEDRM C#CCCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000126698463 728704509 /nfs/dbraw/zinc/70/45/09/728704509.db2.gz LBZHISFXLDIYTB-UHFFFAOYSA-N -1 0 351.211 2.983 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000127681607 728706973 /nfs/dbraw/zinc/70/69/73/728706973.db2.gz JTDICRLFNPXPIF-CYBMUJFWSA-N -1 0 356.813 2.907 20 30 FFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnc([C@@H]2CCCO2)s1 ZINC000127813922 728707328 /nfs/dbraw/zinc/70/73/28/728707328.db2.gz HCMZNGKCLQXOCZ-KGLIPLIRSA-N -1 0 355.419 2.633 20 30 FFEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)cc1F ZINC000129231993 728710664 /nfs/dbraw/zinc/71/06/64/728710664.db2.gz ZALSKIGWYQARNZ-UHFFFAOYSA-N -1 0 364.373 2.583 20 30 FFEDRM Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000129630654 728712429 /nfs/dbraw/zinc/71/24/29/728712429.db2.gz MCLSXNQSRMRBTQ-UHFFFAOYSA-N -1 0 352.415 2.914 20 30 FFEDRM CCN(CC)c1nc2sc(C([O-])=C(C#N)C(=O)NC3CC3)cc2s1 ZINC000129868347 728713742 /nfs/dbraw/zinc/71/37/42/728713742.db2.gz SWHGZPAYAXVINB-SNVBAGLBSA-N -1 0 362.480 2.805 20 30 FFEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)CCOc1ccccc1)c1ccccc1 ZINC000130152748 728715489 /nfs/dbraw/zinc/71/54/89/728715489.db2.gz JHNPSLMYDCTDDW-INIZCTEOSA-N -1 0 359.447 2.871 20 30 FFEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)C(=O)N3CCCC3)cs2)cc1 ZINC000131132597 728721569 /nfs/dbraw/zinc/72/15/69/728721569.db2.gz HGYFFYVRVHOGGI-OAHLLOKOSA-N -1 0 353.447 2.987 20 30 FFEDRM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3c[nH]cn3)c2)c1 ZINC000135299618 728737261 /nfs/dbraw/zinc/73/72/61/728737261.db2.gz NFFSQEINLYVRHX-UHFFFAOYSA-N -1 0 354.391 2.661 20 30 FFEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NC3CCCC3)cs2)n1C ZINC000136882133 728739927 /nfs/dbraw/zinc/73/99/27/728739927.db2.gz GVKLIHRCNQDXIW-ZDUSSCGKSA-N -1 0 356.451 2.838 20 30 FFEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000170709523 728986625 /nfs/dbraw/zinc/98/66/25/728986625.db2.gz OTPNIWYXLDAXFE-AWEZNQCLSA-N -1 0 357.410 2.818 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3nccs3)cc2[n-]c1=S ZINC000173851939 729055172 /nfs/dbraw/zinc/05/51/72/729055172.db2.gz UMRZEFSLGGTCDF-UHFFFAOYSA-N -1 0 372.475 2.974 20 30 FFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC000174218469 729066153 /nfs/dbraw/zinc/06/61/53/729066153.db2.gz FXYPNOHZCPVWIP-SNVBAGLBSA-N -1 0 366.801 2.959 20 30 FFEDRM COc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000175075896 729086436 /nfs/dbraw/zinc/08/64/36/729086436.db2.gz GKEJLOSZHOQFIC-ZDUSSCGKSA-N -1 0 358.419 2.566 20 30 FFEDRM C[C@@H](Cc1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000179218846 729180808 /nfs/dbraw/zinc/18/08/08/729180808.db2.gz PNFVVZRGNPUNJA-LBPRGKRZSA-N -1 0 362.838 2.895 20 30 FFEDRM C[C@@H]1CCc2[nH]c3ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc3c2C1 ZINC000181292860 729240486 /nfs/dbraw/zinc/24/04/86/729240486.db2.gz CQKQRZDCTBISLP-GFCCVEGCSA-N -1 0 359.451 2.656 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1F ZINC000183135161 729296510 /nfs/dbraw/zinc/29/65/10/729296510.db2.gz NAMOIOJRWMXVME-LLVKDONJSA-N -1 0 350.371 2.926 20 30 FFEDRM N#CCOc1ccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000193736071 729488383 /nfs/dbraw/zinc/48/83/83/729488383.db2.gz YUCPVWOOVXANOW-UHFFFAOYSA-N -1 0 374.315 2.624 20 30 FFEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c(C)c1 ZINC000195496355 729540086 /nfs/dbraw/zinc/54/00/86/729540086.db2.gz PVEPRZVKPPHUTO-UHFFFAOYSA-N -1 0 356.447 2.754 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)n2)ccc1C#N ZINC000235898245 729553487 /nfs/dbraw/zinc/55/34/87/729553487.db2.gz AXCSTVXCJBVTJC-UHFFFAOYSA-N -1 0 352.213 2.825 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)/C=C\c2ccccc2Cl)c1 ZINC000255417775 729639659 /nfs/dbraw/zinc/63/96/59/729639659.db2.gz BKVYAZBGVYXXHI-HJWRWDBZSA-N -1 0 360.822 2.871 20 30 FFEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)c1ccccc1 ZINC000759170463 736552764 /nfs/dbraw/zinc/55/27/64/736552764.db2.gz BDOOZTVSAAMDCB-OAHLLOKOSA-N -1 0 354.431 2.864 20 30 FFEDRM Cc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000779189549 738442003 /nfs/dbraw/zinc/44/20/03/738442003.db2.gz PXGNBXIGKGTULO-HNNXBMFYSA-N -1 0 356.447 2.692 20 30 FFEDRM CC[C@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315367 738454652 /nfs/dbraw/zinc/45/46/52/738454652.db2.gz SDIZWMRWTBRRAR-INIZCTEOSA-N -1 0 364.467 2.682 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCCOc2ccc(F)cc2)CCCC1 ZINC000779315397 738454744 /nfs/dbraw/zinc/45/47/44/738454744.db2.gz SGSBKFBIUUZAEQ-UHFFFAOYSA-N -1 0 368.430 2.515 20 30 FFEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)CC3(C#N)CCCC3)coc2c1 ZINC000779315487 738454750 /nfs/dbraw/zinc/45/47/50/738454750.db2.gz XGDHCGMJGAVTNU-UHFFFAOYSA-N -1 0 360.435 2.814 20 30 FFEDRM CCOCCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CCCC1 ZINC000779321783 738455808 /nfs/dbraw/zinc/45/58/08/738455808.db2.gz SNUCDKOQFWZIIO-UHFFFAOYSA-N -1 0 356.488 2.503 20 30 FFEDRM CC(F)(F)CC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000857704897 730407585 /nfs/dbraw/zinc/40/75/85/730407585.db2.gz TZOCBZYBOQMUEF-RNFRBKRXSA-N -1 0 370.240 2.632 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000860074154 730475303 /nfs/dbraw/zinc/47/53/03/730475303.db2.gz SQHWRDMCTUEJHA-RYUDHWBXSA-N -1 0 350.440 2.765 20 30 FFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(F)(F)F ZINC000861014888 730567414 /nfs/dbraw/zinc/56/74/14/730567414.db2.gz VLHUZWQALRGFTC-UHFFFAOYSA-N -1 0 366.336 2.622 20 30 FFEDRM CCC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861016163 730567965 /nfs/dbraw/zinc/56/79/65/730567965.db2.gz SWFLMIMKPGUVDY-HIFRSBDPSA-N -1 0 352.431 2.860 20 30 FFEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1)c1ccccc1 ZINC000861139692 730579588 /nfs/dbraw/zinc/57/95/88/730579588.db2.gz XVELTKUWJYHQQB-CVEARBPZSA-N -1 0 351.468 2.750 20 30 FFEDRM N#Cc1cc(F)c(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(F)c1 ZINC000779752584 738481720 /nfs/dbraw/zinc/48/17/20/738481720.db2.gz RHNHOYNHUUGIOI-SDQBBNPISA-N -1 0 368.386 2.902 20 30 FFEDRM COC(=O)c1csc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000779843795 738488826 /nfs/dbraw/zinc/48/88/26/738488826.db2.gz DFIWAOXUVDPMAK-JTQLQIEISA-N -1 0 366.420 2.626 20 30 FFEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000779848409 738489835 /nfs/dbraw/zinc/48/98/35/738489835.db2.gz NDGIXGYOVQUYNQ-GFCCVEGCSA-N -1 0 360.391 2.549 20 30 FFEDRM C=CC[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)C1 ZINC000862543147 730708144 /nfs/dbraw/zinc/70/81/44/730708144.db2.gz GHBPAVYYPVTUKR-LLVKDONJSA-N -1 0 362.373 2.986 20 30 FFEDRM C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1C)C(=O)[O-] ZINC000863419617 730778559 /nfs/dbraw/zinc/77/85/59/730778559.db2.gz DJJALLWCNFSSOZ-SNVBAGLBSA-N -1 0 368.238 2.531 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000864182468 730828673 /nfs/dbraw/zinc/82/86/73/730828673.db2.gz NKQAXMKHBOYVLU-QMTHXVAHSA-N -1 0 370.858 2.838 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000864183606 730828713 /nfs/dbraw/zinc/82/87/13/730828713.db2.gz SMXCHPRBCDCRAS-CQSZACIVSA-N -1 0 351.834 2.788 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)Cn1c(CSC)nc2ccccc21)C(=O)[O-] ZINC000864184106 730828917 /nfs/dbraw/zinc/82/89/17/730828917.db2.gz VWCIAMMHFHYCQC-GFCCVEGCSA-N -1 0 367.858 2.611 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000864188879 730829578 /nfs/dbraw/zinc/82/95/78/730829578.db2.gz WXSVOZDJEUQVIE-CQSZACIVSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCCCc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000864521709 730856178 /nfs/dbraw/zinc/85/61/78/730856178.db2.gz KJLYDZSUBWRVTI-GFCCVEGCSA-N -1 0 371.890 2.850 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCCOc2c(F)cccc21)C(=O)[O-] ZINC000864526537 730857211 /nfs/dbraw/zinc/85/72/11/730857211.db2.gz JXBUUFFDBGPTKJ-CHWSQXEVSA-N -1 0 356.781 2.934 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCCOc2c(F)cccc21)C(=O)[O-] ZINC000864526540 730857229 /nfs/dbraw/zinc/85/72/29/730857229.db2.gz JXBUUFFDBGPTKJ-STQMWFEESA-N -1 0 356.781 2.934 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000864528467 730857519 /nfs/dbraw/zinc/85/75/19/730857519.db2.gz PWLRYDXUUAVFKM-QLFBSQMISA-N -1 0 352.818 2.802 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NCc1ccc(OC(F)F)cc1F)C(=O)[O-] ZINC000864545966 730859051 /nfs/dbraw/zinc/85/90/51/730859051.db2.gz AWTWEYCSVQFKFG-NSHDSACASA-N -1 0 366.723 2.822 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)[O-] ZINC000864582974 730861757 /nfs/dbraw/zinc/86/17/57/730861757.db2.gz MHWUZSICUKHYAG-KBPBESRZSA-N -1 0 354.790 2.572 20 30 FFEDRM Oc1c(Br)cccc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000915954799 737667030 /nfs/dbraw/zinc/66/70/30/737667030.db2.gz MBWNQAPYGRNGPX-JTQLQIEISA-N -1 0 369.244 2.769 20 30 FFEDRM CC[C@H](CS(=O)(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F)OC ZINC000867898291 731239914 /nfs/dbraw/zinc/23/99/14/731239914.db2.gz DWAWDJDKMXPRDM-CHWSQXEVSA-N -1 0 350.362 2.506 20 30 FFEDRM C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000653546748 731272132 /nfs/dbraw/zinc/27/21/32/731272132.db2.gz PTXZXKSEFRSPBI-VIFPVBQESA-N -1 0 357.204 2.856 20 30 FFEDRM COCc1sccc1C([O-])=C(C#N)C(=O)NCc1ccc(OC)cc1 ZINC000870157573 731476030 /nfs/dbraw/zinc/47/60/30/731476030.db2.gz GRBIGTGSGCXXQB-OAHLLOKOSA-N -1 0 358.419 2.542 20 30 FFEDRM COc1ccc2cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)sc2c1 ZINC000870270900 731489320 /nfs/dbraw/zinc/48/93/20/731489320.db2.gz NUUGHALDWXMCNJ-UHFFFAOYSA-N -1 0 352.437 2.519 20 30 FFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2CN(C)C)CCCC1 ZINC000870642351 731538945 /nfs/dbraw/zinc/53/89/45/731538945.db2.gz RNGYPRPSBONKNX-UHFFFAOYSA-N -1 0 350.484 2.690 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc3ccccc3c2)CC1 ZINC000870830861 731563373 /nfs/dbraw/zinc/56/33/73/731563373.db2.gz JRRBMMWNODWQLJ-UHFFFAOYSA-N -1 0 357.431 2.967 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000870833017 731563673 /nfs/dbraw/zinc/56/36/73/731563673.db2.gz VEGNLHGCKOIYEI-UHFFFAOYSA-N -1 0 359.369 2.902 20 30 FFEDRM C=C(C)CS(=O)(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000656520725 731589715 /nfs/dbraw/zinc/58/97/15/731589715.db2.gz QXZUUWRUWWOMHY-CYBMUJFWSA-N -1 0 365.373 2.587 20 30 FFEDRM C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000871646842 731660056 /nfs/dbraw/zinc/66/00/56/731660056.db2.gz XTDKTRWBFVMFJD-CYBMUJFWSA-N -1 0 360.332 2.723 20 30 FFEDRM C[C@@](O)(CNc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)C(F)(F)F ZINC000872221588 731741837 /nfs/dbraw/zinc/74/18/37/731741837.db2.gz VIADROMNEUJJQK-LLVKDONJSA-N -1 0 362.245 2.729 20 30 FFEDRM C[C@@H]1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C[C@@H](C)N1CC#N ZINC000878772545 732591866 /nfs/dbraw/zinc/59/18/66/732591866.db2.gz ODFRSTCYTRGECL-VXGBXAGGSA-N -1 0 361.829 2.570 20 30 FFEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1 ZINC000781593551 738639108 /nfs/dbraw/zinc/63/91/08/738639108.db2.gz DHJHJFUYIQBGPK-WTKPLQERSA-N -1 0 358.394 2.996 20 30 FFEDRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000781593637 738639279 /nfs/dbraw/zinc/63/92/79/738639279.db2.gz HNUGTSGHRFPELB-AWEZNQCLSA-N -1 0 358.394 2.862 20 30 FFEDRM N#CC1(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)CCCC1 ZINC000782656637 738744264 /nfs/dbraw/zinc/74/42/64/738744264.db2.gz HRKMZJRKRPPIAJ-UHFFFAOYSA-N -1 0 361.345 2.514 20 30 FFEDRM O=C([N-]Cc1nc(C(F)(F)F)no1)C(F)(F)c1c(F)cccc1F ZINC000889894304 734239521 /nfs/dbraw/zinc/23/95/21/734239521.db2.gz MLSXFNSQTCOLQF-UHFFFAOYSA-N -1 0 357.185 2.775 20 30 FFEDRM C=CCOC[C@@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000684745010 734266567 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CS(=O)(=O)c1cccc(NN=Cc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000783860189 738842846 /nfs/dbraw/zinc/84/28/46/738842846.db2.gz VPPLKWWGZYUXLR-UHFFFAOYSA-N -1 0 352.799 2.888 20 30 FFEDRM COc1ccc(OC(F)F)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000732926731 734776972 /nfs/dbraw/zinc/77/69/72/734776972.db2.gz SXOVHBWUDAJSMF-UYWPIULCSA-N -1 0 352.289 2.525 20 30 FFEDRM O=C1Nc2cc(OC(F)(F)F)ccc2C1=N[N-]c1nccnc1Cl ZINC000733079035 734787475 /nfs/dbraw/zinc/78/74/75/734787475.db2.gz QZIPUDRNWZQEBJ-UHFFFAOYSA-N -1 0 357.679 2.797 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C1C2CC3CC(C2)CC1C3 ZINC000734292201 734887393 /nfs/dbraw/zinc/88/73/93/734887393.db2.gz FKNGGFJRDIRZHL-UHFFFAOYSA-N -1 0 358.463 2.744 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)nc(NC)c2)n1 ZINC000735915384 734966718 /nfs/dbraw/zinc/96/67/18/734966718.db2.gz XYSZDBHMEMPJID-SECBINFHSA-N -1 0 364.814 2.900 20 30 FFEDRM C[C@H]1CN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739170206 735047814 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C=C(C)Cn1c(CC)nnc1N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588597406 1080118383 /nfs/dbraw/zinc/11/83/83/1080118383.db2.gz GCTHUJAEVUXRGB-UHFFFAOYSA-N -1 0 361.471 2.503 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001588615093 1080122632 /nfs/dbraw/zinc/12/26/32/1080122632.db2.gz JVPFCJASXHEUQD-INIZCTEOSA-N -1 0 359.426 2.610 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001588614381 1080122981 /nfs/dbraw/zinc/12/29/81/1080122981.db2.gz SPQNHZOPOXNXQQ-OCCSQVGLSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CC(=O)OC)c1ccc(SC)cc1 ZINC001588621772 1080125169 /nfs/dbraw/zinc/12/51/69/1080125169.db2.gz JPIZVAASQOVBLA-CQSZACIVSA-N -1 0 351.424 2.550 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588632948 1080129628 /nfs/dbraw/zinc/12/96/28/1080129628.db2.gz GBIBXBWUXPGDPP-NVXWUHKLSA-N -1 0 359.422 2.575 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001588641814 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C=CCC[C@H]1CCCN1C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588782447 1080194817 /nfs/dbraw/zinc/19/48/17/1080194817.db2.gz UYBXMXAMVODIAQ-AWEZNQCLSA-N -1 0 355.398 2.928 20 30 FFEDRM C=CCCC[C@H](NC(=O)C1CCC(OC[C@H]2CCCO2)CC1)C(=O)[O-] ZINC001588790232 1080197724 /nfs/dbraw/zinc/19/77/24/1080197724.db2.gz UBPHFJCLWLPCNL-BACDZXNISA-N -1 0 353.459 2.667 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001588790338 1080197826 /nfs/dbraw/zinc/19/78/26/1080197826.db2.gz VOKMAZSGRIXAMH-CABCVRRESA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(F)c(Br)cc1N)C(=O)[O-] ZINC001588793545 1080198669 /nfs/dbraw/zinc/19/86/69/1080198669.db2.gz ZGPDUCOGRSSPMH-LBPRGKRZSA-N -1 0 359.195 2.710 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588793923 1080199958 /nfs/dbraw/zinc/19/99/58/1080199958.db2.gz FXNIFUNIWLTQSI-NJSLBKSFSA-N -1 0 368.474 2.805 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)OCC)C(=O)[O-] ZINC001588794331 1080199981 /nfs/dbraw/zinc/19/99/81/1080199981.db2.gz RCCPQNPLCHQWAN-MRXNPFEDSA-N -1 0 372.421 2.813 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nc(SC)ncc1Br)C(=O)[O-] ZINC001588798115 1080201031 /nfs/dbraw/zinc/20/10/31/1080201031.db2.gz UHUQKHLJBFIPTL-VIFPVBQESA-N -1 0 374.260 2.500 20 30 FFEDRM C=CCCO[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588808721 1080205160 /nfs/dbraw/zinc/20/51/60/1080205160.db2.gz MKZGNIRSJBNZME-BYCMXARLSA-N -1 0 353.365 2.573 20 30 FFEDRM C=CCN(C(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C(C)C ZINC001588820110 1080207457 /nfs/dbraw/zinc/20/74/57/1080207457.db2.gz QQNOVFAYUSSDPA-UHFFFAOYSA-N -1 0 350.440 2.687 20 30 FFEDRM C=CCN(CCOC)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001588828720 1080209794 /nfs/dbraw/zinc/20/97/94/1080209794.db2.gz KYAXWIIMMFKNKU-CYBMUJFWSA-N -1 0 360.332 2.832 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001588860003 1080220322 /nfs/dbraw/zinc/22/03/22/1080220322.db2.gz FLDADPOERCMOMX-INIZCTEOSA-N -1 0 360.797 2.788 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cnn(CC(C)C)c1-c1ccccc1)C(=O)[O-] ZINC001588860305 1080220697 /nfs/dbraw/zinc/22/06/97/1080220697.db2.gz PWZNKSOAUVQHKJ-KRWDZBQOSA-N -1 0 371.437 2.592 20 30 FFEDRM C=CCOc1ccc(CC(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001588873654 1080224851 /nfs/dbraw/zinc/22/48/51/1080224851.db2.gz FKDUEOVNNCKBIC-UHFFFAOYSA-N -1 0 362.407 2.734 20 30 FFEDRM C=CCOc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588874792 1080225273 /nfs/dbraw/zinc/22/52/73/1080225273.db2.gz GCSDBDGIUCTVPS-UHFFFAOYSA-N -1 0 355.390 2.931 20 30 FFEDRM C=CCSCCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588879719 1080230120 /nfs/dbraw/zinc/23/01/20/1080230120.db2.gz KRVKRFXJQQBGBQ-OAHLLOKOSA-N -1 0 358.467 2.775 20 30 FFEDRM C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@](C)(C(=O)[O-])C2)c1=S ZINC001588889710 1080237314 /nfs/dbraw/zinc/23/73/14/1080237314.db2.gz BEDHCOMKXLDRHY-GOSISDBHSA-N -1 0 373.482 2.806 20 30 FFEDRM C=CCn1c(-c2cnoc2C)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588890009 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C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001588917309 1080263735 /nfs/dbraw/zinc/26/37/35/1080263735.db2.gz VWNSXNPUCTUQQU-NEPJUHHUSA-N -1 0 367.448 2.611 20 30 FFEDRM CC#CCCSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCCOC ZINC001588930861 1080269838 /nfs/dbraw/zinc/26/98/38/1080269838.db2.gz COXSTYRIRXHGAK-UHFFFAOYSA-N -1 0 360.435 2.637 20 30 FFEDRM CC(=O)[C@@](C#N)(CCOC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC001589021553 1080308975 /nfs/dbraw/zinc/30/89/75/1080308975.db2.gz OYJOLVUBUZCOPG-UWVAXJGDSA-N -1 0 357.406 2.861 20 30 FFEDRM C[C@H](CN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)C(=O)[O-] ZINC001589029256 1080313354 /nfs/dbraw/zinc/31/33/54/1080313354.db2.gz XWGCPGBGXPAUBT-GFCCVEGCSA-N -1 0 354.366 2.930 20 30 FFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC001589280222 1080462638 /nfs/dbraw/zinc/46/26/38/1080462638.db2.gz XFIOFFPIAUJKEG-XJKSGUPXSA-N -1 0 368.389 2.913 20 30 FFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001589331514 1080486010 /nfs/dbraw/zinc/48/60/10/1080486010.db2.gz HAQXAALICZKXFK-PXAZEXFGSA-N -1 0 363.439 2.551 20 30 FFEDRM C[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1C(=O)[O-] ZINC001589347414 1080494044 /nfs/dbraw/zinc/49/40/44/1080494044.db2.gz BLTYBNTVULNDLB-ZANVPECISA-N -1 0 351.200 2.504 20 30 FFEDRM C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C(=O)[O-] ZINC001589348075 1080494144 /nfs/dbraw/zinc/49/41/44/1080494144.db2.gz NEMCXBOEWFNYKZ-XJKSGUPXSA-N -1 0 368.389 2.913 20 30 FFEDRM C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@@H]1C(=O)[O-] ZINC001589393824 1080513711 /nfs/dbraw/zinc/51/37/11/1080513711.db2.gz WKYUJIHQLFLMGY-KOLCDFICSA-N -1 0 351.200 2.504 20 30 FFEDRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)c3ccc(C#N)n3C)sc21 ZINC001589411640 1080519033 /nfs/dbraw/zinc/51/90/33/1080519033.db2.gz SAAFJCLQCUIQNA-DTWKUNHWSA-N -1 0 359.407 2.931 20 30 FFEDRM C[C@H](C(=O)[O-])N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCC1 ZINC001589480168 1080555317 /nfs/dbraw/zinc/55/53/17/1080555317.db2.gz 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CCCCCCCS(=O)(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000194794858 729520849 /nfs/dbraw/zinc/52/08/49/729520849.db2.gz SSLZLCDXJURXNT-UHFFFAOYSA-N -1 0 361.471 2.910 20 30 FFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000195497066 729540059 /nfs/dbraw/zinc/54/00/59/729540059.db2.gz YBPIEWNFJOOGHK-UHFFFAOYSA-N -1 0 356.447 2.872 20 30 FFEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195497025 729540089 /nfs/dbraw/zinc/54/00/89/729540089.db2.gz WCQLJFCBSVADON-ZDUSSCGKSA-N -1 0 360.410 2.522 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000195497080 729540115 /nfs/dbraw/zinc/54/01/15/729540115.db2.gz OTDQQSYEUSGVHK-IAGOWNOFSA-N -1 0 374.849 2.961 20 30 FFEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000255212385 729634392 /nfs/dbraw/zinc/63/43/92/729634392.db2.gz GFJUTODDAJYUNS-ALCCZGGFSA-N -1 0 352.824 2.791 20 30 FFEDRM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000255625319 729644180 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370.858 2.637 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(OC3CCC3)cc2)CCCC1 ZINC000779318508 738455076 /nfs/dbraw/zinc/45/50/76/738455076.db2.gz OVMSAIOZTXPCOU-UHFFFAOYSA-N -1 0 362.451 2.761 20 30 FFEDRM C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779320507 738455413 /nfs/dbraw/zinc/45/54/13/738455413.db2.gz YLNIXYZBBXKOJA-CQSZACIVSA-N -1 0 366.458 2.924 20 30 FFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1c(F)cccc1F ZINC000779321585 738455853 /nfs/dbraw/zinc/45/58/53/738455853.db2.gz PNSOCRXPUVOCGI-LLVKDONJSA-N -1 0 356.394 2.598 20 30 FFEDRM C[C@]1(CNC(=O)N=c2[n-]nc(C(F)(F)C(F)(F)F)s2)CC1(F)F ZINC000640388208 730147918 /nfs/dbraw/zinc/14/79/18/730147918.db2.gz WVJKSHUGIYSXCE-SSDOTTSWSA-N -1 0 366.262 2.781 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccc(Cl)c(F)c2)CCC1 ZINC000860671397 730536063 /nfs/dbraw/zinc/53/60/63/730536063.db2.gz BUWVMNGOMJKUMK-UHFFFAOYSA-N -1 0 358.822 2.552 20 30 FFEDRM CCc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)oc1CC ZINC000861014768 730567388 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2.980 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCCc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000864523388 730856384 /nfs/dbraw/zinc/85/63/84/730856384.db2.gz RHGYBAVDCXUEAN-CQSZACIVSA-N -1 0 353.781 2.745 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NC1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000864522274 730856394 /nfs/dbraw/zinc/85/63/94/730856394.db2.gz VUSRZZAAZYVLST-OAHLLOKOSA-N -1 0 351.834 2.550 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCc1ccc(OCCC)c(OC)c1)C(=O)[O-] ZINC000864527376 730857489 /nfs/dbraw/zinc/85/74/89/730857489.db2.gz ZFSPWHPGLKTQQB-CYBMUJFWSA-N -1 0 370.833 2.879 20 30 FFEDRM N#Cc1cccc([C@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000864607752 730864671 /nfs/dbraw/zinc/86/46/71/730864671.db2.gz DPMQDAFDVUXWRH-STQMWFEESA-N -1 0 355.316 2.668 20 30 FFEDRM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F)C1CC1 ZINC000867898206 731239820 /nfs/dbraw/zinc/23/98/20/731239820.db2.gz BSEPECLQLZKEHZ-KBPBESRZSA-N -1 0 362.373 2.506 20 30 FFEDRM C[C@H]1CCN(C(=O)c2sccc2CC#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000868352214 731285049 /nfs/dbraw/zinc/28/50/49/731285049.db2.gz SFKMQXIQLGDKHO-NHCYSSNCSA-N -1 0 373.400 2.732 20 30 FFEDRM O=C([N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C(F)(F)C(F)F ZINC000774558778 738001186 /nfs/dbraw/zinc/00/11/86/738001186.db2.gz IBFXVAHNGULORX-QMMMGPOBSA-N -1 0 372.240 2.827 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)OCC ZINC000870033410 731464837 /nfs/dbraw/zinc/46/48/37/731464837.db2.gz TVFXSLXHVHZSTB-SECBINFHSA-N -1 0 351.708 2.614 20 30 FFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000870244315 731485618 /nfs/dbraw/zinc/48/56/18/731485618.db2.gz XFBRCAGQWIAMOV-JTQLQIEISA-N -1 0 370.356 2.506 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc2c(ccnc2Cl)s1 ZINC000870270888 731489401 /nfs/dbraw/zinc/48/94/01/731489401.db2.gz NCFUMUPCQNBNTO-UHFFFAOYSA-N -1 0 357.844 2.559 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc(Br)c2)CC1 ZINC000870838010 731564187 /nfs/dbraw/zinc/56/41/87/731564187.db2.gz IBYAZADGKDRWQH-SNVBAGLBSA-N -1 0 358.257 2.717 20 30 FFEDRM C=CCOCCCNc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000656784164 731644423 /nfs/dbraw/zinc/64/44/23/731644423.db2.gz ZHGMUTKCHPVLBR-UHFFFAOYSA-N -1 0 364.471 2.764 20 30 FFEDRM C=CCN(C(C)C)S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871826994 731685959 /nfs/dbraw/zinc/68/59/59/731685959.db2.gz PCLKIJSSSJFPGL-UHFFFAOYSA-N -1 0 368.274 2.794 20 30 FFEDRM COC[C@H](C)NN=Cc1cc(Br)c([O-])c(Br)c1 ZINC000777902591 738330073 /nfs/dbraw/zinc/33/00/73/738330073.db2.gz KRUVQIKFLSZWPY-ZETCQYMHSA-N -1 0 366.053 2.876 20 30 FFEDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CC#N)C1 ZINC000871981098 731711009 /nfs/dbraw/zinc/71/10/09/731711009.db2.gz WIRSYJBIEIINGB-NSHDSACASA-N -1 0 356.831 2.661 20 30 FFEDRM N#CC(=C([O-])c1cnn2cccc(Cl)c12)c1nnc2n1CCCCC2 ZINC000659050653 731939677 /nfs/dbraw/zinc/93/96/77/731939677.db2.gz KJDXHGDPCUSQHF-NSHDSACASA-N -1 0 354.801 2.796 20 30 FFEDRM N#Cc1ccc([C@@H](O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000780991157 738592623 /nfs/dbraw/zinc/59/26/23/738592623.db2.gz BBTOHSAXLQYMGM-OAHLLOKOSA-N -1 0 350.296 2.858 20 30 FFEDRM Cc1c(C#N)cccc1NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000878976354 732625546 /nfs/dbraw/zinc/62/55/46/732625546.db2.gz BZMOUSFWLMSJTD-OAHLLOKOSA-N -1 0 354.332 2.542 20 30 FFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cccc(F)c3C#N)CC2)c1 ZINC000781592190 738639325 /nfs/dbraw/zinc/63/93/25/738639325.db2.gz OIPIIXABCMDOSG-UHFFFAOYSA-N -1 0 358.394 2.543 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000781806565 738660722 /nfs/dbraw/zinc/66/07/22/738660722.db2.gz MXZZZQWQDHBEKY-GDBMZVCRSA-N -1 0 364.467 2.513 20 30 FFEDRM C[C@@H]1COCC[C@@H]1S(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000882504910 733236377 /nfs/dbraw/zinc/23/63/77/733236377.db2.gz FXMUXVVDOWBDMM-SWHYSGLUSA-N -1 0 362.373 2.506 20 30 FFEDRM CCn1ncc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1C1CC1 ZINC000885138333 733625946 /nfs/dbraw/zinc/62/59/46/733625946.db2.gz WPZYTUOOWYXSEH-LBPRGKRZSA-N -1 0 358.423 2.579 20 30 FFEDRM Cc1nc(NC(=O)OC(C)(C)C)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000782581082 738735880 /nfs/dbraw/zinc/73/58/80/738735880.db2.gz KLFBXXJKEXOCKT-SNVBAGLBSA-N -1 0 366.443 2.646 20 30 FFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)nc2c1CCCC2 ZINC000886400825 733783275 /nfs/dbraw/zinc/78/32/75/733783275.db2.gz BWQXHMBONZAXNF-UHFFFAOYSA-N -1 0 356.451 2.921 20 30 FFEDRM C=CC[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC000681558996 734003948 /nfs/dbraw/zinc/00/39/48/734003948.db2.gz XEDKKRAUHFNUDF-LBPRGKRZSA-N -1 0 368.480 2.901 20 30 FFEDRM C=CC[C@@H](NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000681558200 734004050 /nfs/dbraw/zinc/00/40/50/734004050.db2.gz OFPYOKWABGGNTM-LLVKDONJSA-N -1 0 372.855 2.771 20 30 FFEDRM CC#CC[C@@H](NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000681578948 734007840 /nfs/dbraw/zinc/00/78/40/734007840.db2.gz JLVZDGWFXVVJSH-LLVKDONJSA-N -1 0 364.250 2.755 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cc3cccc(F)c3o2)CCCC1 ZINC000783128716 738782183 /nfs/dbraw/zinc/78/21/83/738782183.db2.gz TWNSNLXFFBKXGS-UHFFFAOYSA-N -1 0 350.371 2.715 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCCC[C@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000891337715 734416449 /nfs/dbraw/zinc/41/64/49/734416449.db2.gz SQYJIQCOZNUINJ-QWHCGFSZSA-N -1 0 361.467 2.660 20 30 FFEDRM COc1cccc([C@@H](C)C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000726813535 734447303 /nfs/dbraw/zinc/44/73/03/734447303.db2.gz QMWQWILEEPNRGR-DOMZBBRYSA-N -1 0 358.419 2.983 20 30 FFEDRM COCCCNC(=S)NN=C(C)c1ccc(Cl)c(Cl)c1[O-] ZINC000727648632 734492895 /nfs/dbraw/zinc/49/28/95/734492895.db2.gz NYBNMEAIAAFAGZ-UHFFFAOYSA-N -1 0 350.271 2.924 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000728655814 734538470 /nfs/dbraw/zinc/53/84/70/734538470.db2.gz GWRNUXKLJGZVLL-SECBINFHSA-N -1 0 354.309 2.902 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc(C#N)cc2)n1 ZINC000728679843 734540012 /nfs/dbraw/zinc/54/00/12/734540012.db2.gz ISVZKJSMMLFGBX-AWEZNQCLSA-N -1 0 371.443 2.835 20 30 FFEDRM 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CC[C@](C)(C#N)C(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000923111664 738242315 /nfs/dbraw/zinc/24/23/15/738242315.db2.gz GZHBLZLJXUHBAP-CRAIPNDOSA-N -1 0 363.845 2.550 20 30 FFEDRM CC(C)OCCNN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000778548629 738393055 /nfs/dbraw/zinc/39/30/55/738393055.db2.gz YJFNYUIUAVSULE-UHFFFAOYSA-N -1 0 361.364 2.575 20 30 FFEDRM C=CCC[C@H](NC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000929037428 738934897 /nfs/dbraw/zinc/93/48/97/738934897.db2.gz LSZJXKPWUTYAGT-KGLIPLIRSA-N -1 0 350.415 2.874 20 30 FFEDRM CC(=O)c1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)n(C)c1 ZINC000786530526 739058306 /nfs/dbraw/zinc/05/83/06/739058306.db2.gz IMNYUYILTQXMDQ-OAHLLOKOSA-N -1 0 357.797 2.520 20 30 FFEDRM N#CC(C(=O)NCc1cccc(Cl)c1)=C([O-])c1ccc2c(c1)CCO2 ZINC000786535122 739058806 /nfs/dbraw/zinc/05/88/06/739058806.db2.gz OYDRUFORDQSSET-INIZCTEOSA-N -1 0 354.793 2.914 20 30 FFEDRM Cn1cc(Cl)cc1C([O-])=C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547503 739059614 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20 30 FFEDRM CC[C@@H](NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C(=O)[O-] ZINC000793071476 739736708 /nfs/dbraw/zinc/73/67/08/739736708.db2.gz FTILONSYBBHPKA-GFCCVEGCSA-N -1 0 362.407 2.763 20 30 FFEDRM CCC(=NN[C@H](CC)C(=O)[O-])c1ccc(I)cc1 ZINC000793078409 739737687 /nfs/dbraw/zinc/73/76/87/739737687.db2.gz LQXVNOOAFQBREU-GFCCVEGCSA-N -1 0 360.195 2.858 20 30 FFEDRM CC[C@H](Oc1ccccc1C(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000793200975 739751919 /nfs/dbraw/zinc/75/19/19/739751919.db2.gz HTKNTHVIONDNQL-HNNXBMFYSA-N -1 0 364.467 2.717 20 30 FFEDRM C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000794837698 739934406 /nfs/dbraw/zinc/93/44/06/739934406.db2.gz JYWHIKBAFWTGMQ-HNNXBMFYSA-N -1 0 361.419 2.508 20 30 FFEDRM O=C([O-])COc1ccc(CN=Nc2cccc(F)n2)cc1Br ZINC000795008593 739950659 /nfs/dbraw/zinc/95/06/59/739950659.db2.gz MKFWMTDBZMPKOW-UHFFFAOYSA-N -1 0 368.162 2.893 20 30 FFEDRM CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000795360994 740010019 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FFEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000796784245 740183056 /nfs/dbraw/zinc/18/30/56/740183056.db2.gz MDDSDJWVGKRSQV-UHFFFAOYSA-N -1 0 360.357 2.984 20 30 FFEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)[C@H](F)CC1CCCCC1 ZINC000796862408 740191480 /nfs/dbraw/zinc/19/14/80/740191480.db2.gz IPZVQXIBLNCBRN-CQSZACIVSA-N -1 0 356.394 2.811 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000796927214 740197219 /nfs/dbraw/zinc/19/72/19/740197219.db2.gz JHABIPMYNWIRFO-UHFFFAOYSA-N -1 0 362.354 2.703 20 30 FFEDRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000797552898 740255684 /nfs/dbraw/zinc/25/56/84/740255684.db2.gz NXAJPOTXBHSQIB-KKXDTOCCSA-N -1 0 354.431 2.554 20 30 FFEDRM C#CCCCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000797724779 740267268 /nfs/dbraw/zinc/26/72/68/740267268.db2.gz QRKSYYYZTXCSKD-INIZCTEOSA-N -1 0 367.243 2.852 20 30 FFEDRM Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000797959502 740292443 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C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)C2CC2)ccc1Cl ZINC000810804084 741452044 /nfs/dbraw/zinc/45/20/44/741452044.db2.gz FVGCQDBXJXFOED-UHFFFAOYSA-N -1 0 367.854 2.787 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)onc2-c2ccc(F)cc2)CC1 ZINC000810982829 741469088 /nfs/dbraw/zinc/46/90/88/741469088.db2.gz ZCHBTNHOLJJEDA-UHFFFAOYSA-N -1 0 364.398 2.957 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cccc(Br)c2)CC1 ZINC000810983457 741469378 /nfs/dbraw/zinc/46/93/78/741469378.db2.gz TUSNFYRPMZAYHU-UHFFFAOYSA-N -1 0 358.257 2.546 20 30 FFEDRM O=C([O-])c1ccc2c(c1)CCCCC2=NNC(=S)NCC(F)(F)F ZINC000811639477 741544998 /nfs/dbraw/zinc/54/49/98/741544998.db2.gz ARCHBUVDDDAMQS-UHFFFAOYSA-N -1 0 359.373 2.842 20 30 FFEDRM CC[C@H](O)CNN=Cc1cc(Br)cc(Br)c1[O-] ZINC000811653959 741546057 /nfs/dbraw/zinc/54/60/57/741546057.db2.gz KPJFQBDXFCMCHZ-VIFPVBQESA-N -1 0 366.053 2.612 20 30 FFEDRM C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1cccc(Br)c1 ZINC000813076320 741674223 /nfs/dbraw/zinc/67/42/23/741674223.db2.gz 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C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001602781033 971521703 /nfs/dbraw/zinc/52/17/03/971521703.db2.gz QRZNXYLRAHVVJH-IUODEOHRSA-N -1 0 359.209 2.538 20 30 FFEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC001589605656 949259659 /nfs/dbraw/zinc/25/96/59/949259659.db2.gz VQMAPJRATZJXGY-OAHLLOKOSA-N -1 0 355.316 2.689 20 30 FFEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000162475995 971579816 /nfs/dbraw/zinc/57/98/16/971579816.db2.gz YDFUKFQTFOWMOT-ZDUSSCGKSA-N -1 0 364.327 2.738 20 30 FFEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1 ZINC000123708999 971747368 /nfs/dbraw/zinc/74/73/68/971747368.db2.gz QJUDGWMARZQSKJ-HNNXBMFYSA-N -1 0 366.421 2.571 20 30 FFEDRM CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001602974782 971984807 /nfs/dbraw/zinc/98/48/07/971984807.db2.gz NPDHAUQQKSXPAI-HXUWFJFHSA-N -1 0 357.454 2.619 20 30 FFEDRM Cn1cc(CNC(=O)C2(C(=O)[O-])CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC001594542669 955665390 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20 30 FFEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@](C)(OC)C(=O)[O-])cc1 ZINC001594049593 957967857 /nfs/dbraw/zinc/96/78/57/957967857.db2.gz YHTYVWSSLZMLSP-IBGZPJMESA-N -1 0 370.361 2.787 20 30 FFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000391577591 972347600 /nfs/dbraw/zinc/34/76/00/972347600.db2.gz GBKVJDBSCPYNEM-UHFFFAOYSA-N -1 0 372.855 2.872 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594269141 959782726 /nfs/dbraw/zinc/78/27/26/959782726.db2.gz WWPITUHCZWXZHH-YPMHNXCESA-N -1 0 364.448 2.613 20 30 FFEDRM N#CC1(NC(=O)[C@@H]2CC23CCN(C(=O)c2ccc([S-])cc2)CC3)CCC1 ZINC001271318562 972479317 /nfs/dbraw/zinc/47/93/17/972479317.db2.gz VBTSFCWUKRYQAJ-INIZCTEOSA-N -1 0 369.490 2.780 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263079258 962220891 /nfs/dbraw/zinc/22/08/91/962220891.db2.gz RWWLFEVVZPTQQU-WDMOLILDSA-N -1 0 358.221 2.869 20 30 FFEDRM Nc1nonc1C(=N[O-])Nc1cc(F)c(OCc2ccccc2)cc1F ZINC001175153201 1013393292 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20 30 FFEDRM C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)[O-])CC1 ZINC001609636840 970430755 /nfs/dbraw/zinc/43/07/55/970430755.db2.gz LDKRWAISWUKRLL-UHFFFAOYSA-N -1 0 365.437 2.768 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OCc2cscn2)c1 ZINC000122568448 970437434 /nfs/dbraw/zinc/43/74/34/970437434.db2.gz NZETXLVSWOPTKZ-HNNXBMFYSA-N -1 0 366.402 2.661 20 30 FFEDRM CCCc1c(NC(=O)N2CCC[C@@H]2C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001610261950 970709396 /nfs/dbraw/zinc/70/93/96/970709396.db2.gz PNUROJVXFZQLQK-QGZVFWFLSA-N -1 0 367.409 2.777 20 30 FFEDRM Cc1c(Br)c(Cl)ncc1NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001605085129 972732928 /nfs/dbraw/zinc/73/29/28/972732928.db2.gz YLAIBLACMZKNEP-LBPRGKRZSA-N -1 0 360.595 2.749 20 30 FFEDRM C[C@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC001603426248 973156897 /nfs/dbraw/zinc/15/68/97/973156897.db2.gz FEKATSFOKMDEJS-WMLDXEAASA-N -1 0 366.421 2.647 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccs2)c1 ZINC000125180610 973375620 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0 359.470 2.616 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)NCc1nccn1CCCc1ccccc1)C(=O)[O-] ZINC000909130893 981630750 /nfs/dbraw/zinc/63/07/50/981630750.db2.gz FTTRZOSBSQZSPS-QGZVFWFLSA-N -1 0 370.453 2.735 20 30 FFEDRM C=C1CC(C)(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)C1 ZINC000909280809 981675258 /nfs/dbraw/zinc/67/52/58/981675258.db2.gz RYBDZJYRIVDOJP-UHFFFAOYSA-N -1 0 356.422 2.918 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1OC ZINC000910431425 981943900 /nfs/dbraw/zinc/94/39/00/981943900.db2.gz SAINJILNBQKYOQ-VGVVRCBHSA-N -1 0 367.348 2.594 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccccc2)c1COC)C(=O)[O-] ZINC000910926433 982096700 /nfs/dbraw/zinc/09/67/00/982096700.db2.gz SUTUUMHVJZWZST-INIZCTEOSA-N -1 0 357.410 2.558 20 30 FFEDRM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCC#Cc2cccc(C(=O)[O-])c2)C1 ZINC001594865124 982164303 /nfs/dbraw/zinc/16/43/03/982164303.db2.gz ATFGZWHCUTWXRH-CRAIPNDOSA-N -1 0 371.433 2.564 20 30 FFEDRM CC[C@H](C)C[C@H](NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)C(=O)[O-] ZINC001594945866 982636882 /nfs/dbraw/zinc/63/68/82/982636882.db2.gz UFVYKTRFGACBRO-SJCJKPOMSA-N -1 0 354.410 2.672 20 30 FFEDRM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C[C@H](C)C#N ZINC001596212993 983604738 /nfs/dbraw/zinc/60/47/38/983604738.db2.gz YPHOEKWPJOVMRC-VXGBXAGGSA-N -1 0 363.483 2.991 20 30 FFEDRM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)C[C@@H](C)C#N ZINC001596212987 983604744 /nfs/dbraw/zinc/60/47/44/983604744.db2.gz YPHOEKWPJOVMRC-NEPJUHHUSA-N -1 0 363.483 2.991 20 30 FFEDRM CCN(CCC#N)C(=O)CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596299437 983723972 /nfs/dbraw/zinc/72/39/72/983723972.db2.gz HNASJOWOXPBEEO-HNNXBMFYSA-N -1 0 372.252 2.813 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1)C(=O)[O-] ZINC001588785464 984180814 /nfs/dbraw/zinc/18/08/14/984180814.db2.gz HADQXJOTUWMQKL-ZIAGYGMSSA-N -1 0 354.447 2.606 20 30 FFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12)c1ccccc1 ZINC000764087916 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C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1)C(=O)[O-] ZINC001588537283 1080084951 /nfs/dbraw/zinc/08/49/51/1080084951.db2.gz LDGWJRRKKBMUMJ-WBVHZDCISA-N -1 0 358.438 2.528 20 30 FFEDRM C=CCC(C)(C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC001588539310 1080086546 /nfs/dbraw/zinc/08/65/46/1080086546.db2.gz GKJPHANGPTXQSX-UHFFFAOYSA-N -1 0 359.430 2.662 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2nnsc2Cl)c1 ZINC001588539832 1080086941 /nfs/dbraw/zinc/08/69/41/1080086941.db2.gz BIPFMDFEWLTAIO-AWEZNQCLSA-N -1 0 350.787 2.802 20 30 FFEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588567813 1080103187 /nfs/dbraw/zinc/10/31/87/1080103187.db2.gz SUGCZCIJQZPNCU-UHFFFAOYSA-N -1 0 372.421 2.801 20 30 FFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1cn(C[C@@H]2CCOC2)nn1 ZINC001588576877 1080105069 /nfs/dbraw/zinc/10/50/69/1080105069.db2.gz DSFYFKFNPYGKHI-AWEZNQCLSA-N -1 0 357.410 2.710 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(F)cc2C)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001588578542 1080106020 /nfs/dbraw/zinc/10/60/20/1080106020.db2.gz LMUYYQSXCRGSDH-LJQANCHMSA-N -1 0 374.416 2.649 20 30 FFEDRM C=CCC[C@H](CO)Nc1cc(C)c(-c2nn[nH]n2)c2nc3ccccc3n21 ZINC001588578608 1080106465 /nfs/dbraw/zinc/10/64/65/1080106465.db2.gz CAXUSADYPAXTCF-CYBMUJFWSA-N -1 0 363.425 2.715 20 30 FFEDRM C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588590992 1080114657 /nfs/dbraw/zinc/11/46/57/1080114657.db2.gz DARMHNBXXLICAE-UNEWFSDZSA-N -1 0 368.437 2.687 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)CCCCC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588592150 1080115747 /nfs/dbraw/zinc/11/57/47/1080115747.db2.gz SIKUASDTOUWSDM-KFWWJZLASA-N -1 0 350.463 2.625 20 30 FFEDRM C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588598677 1080119414 /nfs/dbraw/zinc/11/94/14/1080119414.db2.gz KSSOELMVKFBZRT-SFHVURJKSA-N -1 0 362.380 2.587 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC001588621840 1080125424 /nfs/dbraw/zinc/12/54/24/1080125424.db2.gz LAMRMBWHOSXUFY-CORIIIEPSA-N -1 0 354.447 2.558 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588641456 1080134536 /nfs/dbraw/zinc/13/45/36/1080134536.db2.gz CCYKYOHMNHDYLQ-AGIUHOORSA-N -1 0 374.865 2.782 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001588641476 1080134952 /nfs/dbraw/zinc/13/49/52/1080134952.db2.gz CUBHVAQWDGJRNT-CHWSQXEVSA-N -1 0 374.865 2.639 20 30 FFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2OCC)CC1 ZINC001588649777 1080139997 /nfs/dbraw/zinc/13/99/97/1080139997.db2.gz CMTBVYXXEHWHJI-UHFFFAOYSA-N -1 0 353.440 2.808 20 30 FFEDRM C=CC1(CC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001588719023 1080169533 /nfs/dbraw/zinc/16/95/33/1080169533.db2.gz JBAAIRDTTBUSFX-KGLIPLIRSA-N -1 0 366.458 2.559 20 30 FFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588719125 1080169554 /nfs/dbraw/zinc/16/95/54/1080169554.db2.gz LMDOVRIAQGXULN-SNVBAGLBSA-N -1 0 374.256 2.877 20 30 FFEDRM C=CC[C@H](CO)Nc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC001588743756 1080178428 /nfs/dbraw/zinc/17/84/28/1080178428.db2.gz CNLCQRWEQYLKQX-CYBMUJFWSA-N -1 0 370.361 2.873 20 30 FFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001588744193 1080178910 /nfs/dbraw/zinc/17/89/10/1080178910.db2.gz IKDRJFUXGKQYSP-KRWDZBQOSA-N -1 0 359.447 2.779 20 30 FFEDRM C=CCC(F)(F)C(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC001588743069 1080178960 /nfs/dbraw/zinc/17/89/60/1080178960.db2.gz QSWNECBYBFMTIF-NSHDSACASA-N -1 0 362.170 2.772 20 30 FFEDRM C=CC[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)[O-] ZINC001588757529 1080180910 /nfs/dbraw/zinc/18/09/10/1080180910.db2.gz ALWRVQBIEVHXCM-DOMZBBRYSA-N -1 0 360.435 2.697 20 30 FFEDRM C=CC[C@H](OC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)[O-] ZINC001588757072 1080181221 /nfs/dbraw/zinc/18/12/21/1080181221.db2.gz UOKDTPDIDKOMAB-HNNXBMFYSA-N -1 0 352.408 2.589 20 30 FFEDRM C=CC[C@H](c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588762465 1080183973 /nfs/dbraw/zinc/18/39/73/1080183973.db2.gz JLSVBQMHYCSZJW-IRXDYDNUSA-N -1 0 370.453 2.686 20 30 FFEDRM C=CC[C@H](c1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588763785 1080184347 /nfs/dbraw/zinc/18/43/47/1080184347.db2.gz ZOYXKGKWNMJSEM-OXJNMPFZSA-N -1 0 370.453 2.686 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001588771196 1080188025 /nfs/dbraw/zinc/18/80/25/1080188025.db2.gz QNMLNBXVZBQRSR-FZMZJTMJSA-N -1 0 368.411 2.706 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588771021 1080188220 /nfs/dbraw/zinc/18/82/20/1080188220.db2.gz LRRIZUJAKYUXJT-ZYHUDNBSSA-N -1 0 365.817 2.623 20 30 FFEDRM C=CC[C@H]1CCN(C(=O)C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001588772618 1080189459 /nfs/dbraw/zinc/18/94/59/1080189459.db2.gz JWFHAGQQGCVXKU-ZDUSSCGKSA-N -1 0 362.451 2.617 20 30 FFEDRM C=CCC[C@@H](O)CN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588778516 1080192298 /nfs/dbraw/zinc/19/22/98/1080192298.db2.gz CTRWJECSMMYBFI-ABAIWWIYSA-N -1 0 372.259 2.842 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(Br)cc2[nH]cnc21)C(=O)[O-] ZINC001588792528 1080197919 /nfs/dbraw/zinc/19/79/19/1080197919.db2.gz JQFIXFMLUQIKTP-NSHDSACASA-N -1 0 366.215 2.865 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC001588793816 1080198792 /nfs/dbraw/zinc/19/87/92/1080198792.db2.gz BYHALXCTRYSJDP-SCLBCKFNSA-N -1 0 356.463 2.996 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588794208 1080199861 /nfs/dbraw/zinc/19/98/61/1080199861.db2.gz OJUGMFORNGZKPJ-FGBSKUFISA-N -1 0 366.458 2.606 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1sc(N2CCCC2)nc1Cl)C(=O)[O-] ZINC001588797778 1080200386 /nfs/dbraw/zinc/20/03/86/1080200386.db2.gz LYMJNPONAXPYOC-JTQLQIEISA-N -1 0 357.863 2.936 20 30 FFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001588829303 1080210930 /nfs/dbraw/zinc/21/09/30/1080210930.db2.gz QEYOZAMQYVBFQL-UHFFFAOYSA-N -1 0 363.888 2.974 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001588832665 1080211686 /nfs/dbraw/zinc/21/16/86/1080211686.db2.gz MIMCBWMUAYWFSV-UHFFFAOYSA-N -1 0 370.430 2.774 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccnc(C(=O)[O-])c1 ZINC001588831789 1080212031 /nfs/dbraw/zinc/21/20/31/1080212031.db2.gz PYLZLGHKQOKPEW-GFCCVEGCSA-N -1 0 374.418 2.601 20 30 FFEDRM C=CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CCC(=O)[O-])c1C ZINC001588837111 1080212474 /nfs/dbraw/zinc/21/24/74/1080212474.db2.gz QNNQPLYKZOGXOQ-GOSISDBHSA-N -1 0 354.410 2.727 20 30 FFEDRM C=CCNc1ncc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)s1 ZINC001588849392 1080217462 /nfs/dbraw/zinc/21/74/62/1080217462.db2.gz NZWBGECXCVTQDL-CSJGVYOVSA-N -1 0 367.496 2.600 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1OCC=C)C(=O)[O-] ZINC001588859534 1080220510 /nfs/dbraw/zinc/22/05/10/1080220510.db2.gz OSRJDHGJOZYRPI-ZDUSSCGKSA-N -1 0 373.327 2.656 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC001588859163 1080220522 /nfs/dbraw/zinc/22/05/22/1080220522.db2.gz BMLYYOSANCODRU-GFCCVEGCSA-N -1 0 357.193 2.860 20 30 FFEDRM C=CCOCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588869145 1080222302 /nfs/dbraw/zinc/22/23/02/1080222302.db2.gz URKVIPKCRNWNMK-UHFFFAOYSA-N -1 0 362.304 2.650 20 30 FFEDRM C=CCSCCn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588879585 1080230527 /nfs/dbraw/zinc/23/05/27/1080230527.db2.gz GOYIMKZCSUIAHV-HNNXBMFYSA-N -1 0 364.515 2.841 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccnn1CC(F)F ZINC001588885454 1080234150 /nfs/dbraw/zinc/23/41/50/1080234150.db2.gz RULFOKMEHJLAHI-UHFFFAOYSA-N -1 0 366.320 2.803 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1c(C)nn(C)c1C ZINC001588885339 1080234301 /nfs/dbraw/zinc/23/43/01/1080234301.db2.gz PFPDCHDPNJDGGU-UHFFFAOYSA-N -1 0 358.394 2.620 20 30 FFEDRM C=CCn1c(-c2ccnc3ccccc32)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588890007 1080238200 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365.437 2.593 20 30 FFEDRM C=CCn1c(C2CC2)nnc1N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001588895887 1080245464 /nfs/dbraw/zinc/24/54/64/1080245464.db2.gz BZTCYTZSGXBLKD-UHFFFAOYSA-N -1 0 373.482 2.955 20 30 FFEDRM C=CCn1c(Cc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588904094 1080253430 /nfs/dbraw/zinc/25/34/30/1080253430.db2.gz HCNQVKQOCALDIY-FQEVSTJZSA-N -1 0 365.437 2.618 20 30 FFEDRM C=CCn1c(Sc2ncc(C(=O)[O-])cn2)nc2sc(C)c(C)c2c1=O ZINC001588910122 1080258777 /nfs/dbraw/zinc/25/87/77/1080258777.db2.gz LZMNNVBBGAQWQD-UHFFFAOYSA-N -1 0 374.447 2.900 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588916649 1080262505 /nfs/dbraw/zinc/26/25/05/1080262505.db2.gz XLGCROJZLLNMHI-OTYXRUKQSA-N -1 0 352.774 2.526 20 30 FFEDRM CC(=NOCC(=O)NC1CCC(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021700 1080309000 /nfs/dbraw/zinc/30/90/00/1080309000.db2.gz SUUIQNKYXSGZER-UHFFFAOYSA-N -1 0 362.426 2.586 20 30 FFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1sccc1Cl ZINC001589024716 1080311819 /nfs/dbraw/zinc/31/18/19/1080311819.db2.gz WYHFLPYRJSEAIL-NSHDSACASA-N -1 0 354.815 2.806 20 30 FFEDRM C[C@](O)(CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)[O-] ZINC001589144851 1080384298 /nfs/dbraw/zinc/38/42/98/1080384298.db2.gz ZHCROKVLRCVGTE-SFHVURJKSA-N -1 0 374.780 2.569 20 30 FFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC001589280216 1080462592 /nfs/dbraw/zinc/46/25/92/1080462592.db2.gz XFIOFFPIAUJKEG-BBRMVZONSA-N -1 0 368.389 2.913 20 30 FFEDRM CC[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC001589536975 1080590712 /nfs/dbraw/zinc/59/07/12/1080590712.db2.gz AADXFWNCQATGMW-CYBMUJFWSA-N -1 0 354.366 2.978 20 30 FFEDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2cccc(CC#N)c2)cc1 ZINC001589643085 1080646895 /nfs/dbraw/zinc/64/68/95/1080646895.db2.gz GUNXWUWRYZBDRX-UHFFFAOYSA-N -1 0 359.403 2.883 20 30 FFEDRM CC(C)(C)C1CCC(C#N)(NS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001589726998 1080688742 /nfs/dbraw/zinc/68/87/42/1080688742.db2.gz VRHXUQWONZNJHG-UHFFFAOYSA-N -1 0 354.428 2.755 20 30 FFEDRM CC(C)(C)OC(=O)NC1(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001590127700 1081035976 /nfs/dbraw/zinc/03/59/76/1081035976.db2.gz NJLIFEQRIBPITP-OAHLLOKOSA-N -1 0 374.393 2.675 20 30 FFEDRM CC(C)(C)OC(=O)NC1(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001590127470 1081036020 /nfs/dbraw/zinc/03/60/20/1081036020.db2.gz JMPOFFYOTXZXOK-HNNXBMFYSA-N -1 0 374.393 2.675 20 30 FFEDRM C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](c2ccccc2)C1 ZINC001590209951 1081094694 /nfs/dbraw/zinc/09/46/94/1081094694.db2.gz QWAZSVJYZICBKP-NWANDNLSSA-N -1 0 360.425 2.913 20 30 FFEDRM Cn1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C1CC1 ZINC000290538161 257339654 /nfs/dbraw/zinc/33/96/54/257339654.db2.gz OYFGPIVHZQKGRG-UHFFFAOYSA-N -1 0 370.356 2.989 20 30 FFEDRM Cc1c(Cl)cnc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1C#N ZINC000290760782 257356569 /nfs/dbraw/zinc/35/65/69/257356569.db2.gz UICYVNFPIPTEQY-SNVBAGLBSA-N -1 0 360.767 2.810 20 30 FFEDRM 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FFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)N(C)C(C)C)ccc1Cl ZINC000416933686 514053569 /nfs/dbraw/zinc/05/35/69/514053569.db2.gz BJYPMGHOWIUMPK-LBPRGKRZSA-N -1 0 357.863 2.864 20 30 FFEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000436968393 514055408 /nfs/dbraw/zinc/05/54/08/514055408.db2.gz UILTWYWNVBWKON-UHFFFAOYSA-N -1 0 358.279 2.541 20 30 FFEDRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(F)(F)F ZINC000443938393 514077121 /nfs/dbraw/zinc/07/71/21/514077121.db2.gz UQTOJFHYKOAOFT-PELKAZGASA-N -1 0 365.333 2.722 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1C#N ZINC000427117754 514121122 /nfs/dbraw/zinc/12/11/22/514121122.db2.gz PCRPZPVHCVXCGC-UHFFFAOYSA-N -1 0 372.450 2.591 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C#N ZINC000427194358 514146304 /nfs/dbraw/zinc/14/63/04/514146304.db2.gz ZIRVVDCJMOPRKW-UHFFFAOYSA-N -1 0 357.435 2.989 20 30 FFEDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1Cl ZINC000427266046 514166134 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366.389 2.755 20 30 FFEDRM COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000476432366 515049474 /nfs/dbraw/zinc/04/94/74/515049474.db2.gz GMFZUQRVWSMCNW-NSHDSACASA-N -1 0 373.434 2.587 20 30 FFEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c1C ZINC000509238069 515086432 /nfs/dbraw/zinc/08/64/32/515086432.db2.gz HDFLNJWQDMDIFG-UHFFFAOYSA-N -1 0 362.459 2.504 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000485674461 515136440 /nfs/dbraw/zinc/13/64/40/515136440.db2.gz RAQQNBLGLCHXBY-UHFFFAOYSA-N -1 0 365.389 2.846 20 30 FFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000467944778 515173132 /nfs/dbraw/zinc/17/31/32/515173132.db2.gz AXMOKFMQTRHYKX-UHFFFAOYSA-N -1 0 354.362 2.602 20 30 FFEDRM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000481075875 515197428 /nfs/dbraw/zinc/19/74/28/515197428.db2.gz CAXFCDGSJIAYSF-UHFFFAOYSA-N -1 0 350.390 2.974 20 30 FFEDRM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1OC(C)C ZINC000499493552 515346078 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COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(F)c1 ZINC000477839363 515612310 /nfs/dbraw/zinc/61/23/10/515612310.db2.gz BVXWOPZNEHYQRQ-ZDUSSCGKSA-N -1 0 351.337 2.989 20 30 FFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000469072044 515657745 /nfs/dbraw/zinc/65/77/45/515657745.db2.gz VXMYOIQKNMKQSQ-UHFFFAOYSA-N -1 0 363.395 2.561 20 30 FFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000469083402 515663184 /nfs/dbraw/zinc/66/31/84/515663184.db2.gz UQHODGPUCYMJPD-UHFFFAOYSA-N -1 0 352.316 2.951 20 30 FFEDRM C=CCOc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000505859172 515699630 /nfs/dbraw/zinc/69/96/30/515699630.db2.gz QUQAZLKMLUJAHG-UHFFFAOYSA-N -1 0 361.419 2.737 20 30 FFEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cc1[N+](=O)[O-] ZINC000473768791 515748539 /nfs/dbraw/zinc/74/85/39/515748539.db2.gz KZHYQVZUJSWKLG-UHFFFAOYSA-N -1 0 352.759 2.624 20 30 FFEDRM C=CCN=c1[n-]nc(SCCC(=O)Nc2cccc(OC)c2)s1 ZINC000487208658 515798078 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20 30 FFEDRM CC(C)(C)Nc1cc(C(=O)[O-])c(NS(=O)(=O)CCCC#N)cc1F ZINC000548229217 516839572 /nfs/dbraw/zinc/83/95/72/516839572.db2.gz RGQPCRPFWQUSBQ-UHFFFAOYSA-N -1 0 357.407 2.780 20 30 FFEDRM Cc1ccccc1S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2F)n1 ZINC000541089779 516869921 /nfs/dbraw/zinc/86/99/21/516869921.db2.gz MPCQHQHCAMSRHG-UHFFFAOYSA-N -1 0 356.382 2.992 20 30 FFEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Br)o2)n1 ZINC000544727756 516899052 /nfs/dbraw/zinc/89/90/52/516899052.db2.gz QTLUKSHYXHDMEE-UHFFFAOYSA-N -1 0 373.232 2.666 20 30 FFEDRM N#Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1O ZINC000562219127 516962525 /nfs/dbraw/zinc/96/25/25/516962525.db2.gz YZTVVNWGGIWXJG-UHFFFAOYSA-N -1 0 350.334 2.626 20 30 FFEDRM CC(C)(C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)CC(=O)[O-] ZINC000548528288 517037911 /nfs/dbraw/zinc/03/79/11/517037911.db2.gz AJTJGEXGZXPXNU-NSHDSACASA-N -1 0 358.847 2.627 20 30 FFEDRM N#C[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C1CC1 ZINC000519546602 517038644 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FFEDRM N#CC1(CS(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])CCCCC1 ZINC000548591313 517069306 /nfs/dbraw/zinc/06/93/06/517069306.db2.gz MCZGKAHKAXFZRU-LSDHHAIUSA-N -1 0 356.488 2.803 20 30 FFEDRM N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000562644622 517263885 /nfs/dbraw/zinc/26/38/85/517263885.db2.gz CWGFMNYXQJXYQH-CJNGLKHVSA-N -1 0 368.430 2.540 20 30 FFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000562651537 517271118 /nfs/dbraw/zinc/27/11/18/517271118.db2.gz GARWQOBGRMNNPL-LLVKDONJSA-N -1 0 352.239 2.832 20 30 FFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)NCCSCC(F)(F)F ZINC000537657436 517283482 /nfs/dbraw/zinc/28/34/82/517283482.db2.gz YFSICGCCXGWWLC-UHFFFAOYSA-N -1 0 358.794 2.785 20 30 FFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)ccc1Cl ZINC000533090699 517288175 /nfs/dbraw/zinc/28/81/75/517288175.db2.gz NQPRQQYFCNHFGN-UHFFFAOYSA-N -1 0 350.709 2.754 20 30 FFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncc(-n3ccnn3)c2)s1 ZINC000549126038 517411611 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C=CCN1CC[C@H](Sc2n[n-]c(=NCCc3cccs3)s2)C1=O ZINC000538570137 517672075 /nfs/dbraw/zinc/67/20/75/517672075.db2.gz PZXMYXGJMNRTER-LBPRGKRZSA-N -1 0 366.537 2.555 20 30 FFEDRM N#Cc1ccc(CN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)C2CC2)cc1 ZINC000530353039 517722229 /nfs/dbraw/zinc/72/22/29/517722229.db2.gz OYOGVPDTKIHXPD-UHFFFAOYSA-N -1 0 361.327 2.985 20 30 FFEDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)ccc1C ZINC000560449436 517810074 /nfs/dbraw/zinc/81/00/74/517810074.db2.gz QVWGZTUGHRMLDR-UHFFFAOYSA-N -1 0 374.418 2.853 20 30 FFEDRM COCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccncn1 ZINC000546859906 517894467 /nfs/dbraw/zinc/89/44/67/517894467.db2.gz SUSDPYYOOMOSGP-CYBMUJFWSA-N -1 0 358.379 2.613 20 30 FFEDRM CC(C)(C)c1[n-]n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1CCC#N ZINC000534633959 517972922 /nfs/dbraw/zinc/97/29/22/517972922.db2.gz RNMGZBQKPLVDPE-UHFFFAOYSA-N -1 0 370.409 2.710 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000563714677 518086062 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C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000819824118 597652855 /nfs/dbraw/zinc/65/28/55/597652855.db2.gz XSDIEFIMKKSYOH-BBRMVZONSA-N -1 0 370.327 2.610 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000819824119 597652898 /nfs/dbraw/zinc/65/28/98/597652898.db2.gz XSDIEFIMKKSYOH-CJNGLKHVSA-N -1 0 370.327 2.610 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000819846699 597653741 /nfs/dbraw/zinc/65/37/41/597653741.db2.gz FQAOSZTVICVXFK-SFHVURJKSA-N -1 0 357.435 2.549 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000819857455 597735100 /nfs/dbraw/zinc/73/51/00/597735100.db2.gz XKLMQMHBHGRVPG-HNNXBMFYSA-N -1 0 366.299 2.834 20 30 FFEDRM N#Cc1ccccc1NC(=O)CCCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000821340517 598185955 /nfs/dbraw/zinc/18/59/55/598185955.db2.gz KACPHSHAYAKJKV-UHFFFAOYSA-N -1 0 365.389 2.682 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000819866132 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353.403 2.908 20 30 FFEDRM N#CCCNC(=O)c1ccccc1SCc1ccc(-c2nn[nH]n2)cc1 ZINC000737696062 598304199 /nfs/dbraw/zinc/30/41/99/598304199.db2.gz ZWMXSLHSGNLAIX-UHFFFAOYSA-N -1 0 364.434 2.802 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCCc3c(O)cccc32)o1 ZINC000820197239 599336850 /nfs/dbraw/zinc/33/68/50/599336850.db2.gz HVJMCAIARULEMU-UHFFFAOYSA-N -1 0 353.386 2.836 20 30 FFEDRM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000736627315 599725734 /nfs/dbraw/zinc/72/57/34/599725734.db2.gz FDZSOBKAOZTCTB-JTQLQIEISA-N -1 0 370.340 2.603 20 30 FFEDRM N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1Cl ZINC000739123257 599771882 /nfs/dbraw/zinc/77/18/82/599771882.db2.gz OYRQQMOKLOWFHG-UHFFFAOYSA-N -1 0 371.780 2.806 20 30 FFEDRM N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)[O-] ZINC000739091673 599830305 /nfs/dbraw/zinc/83/03/05/599830305.db2.gz ICEBCMDWIUZDKD-UHFFFAOYSA-N -1 0 370.386 2.796 20 30 FFEDRM C=CCn1c(-c2cccnc2)nn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000736116442 599841251 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N#Cc1ccc([C@@H](OC(=O)c2cncn2-c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739117657 600609672 /nfs/dbraw/zinc/60/96/72/600609672.db2.gz MJJHBJJZAYJALS-QGZVFWFLSA-N -1 0 365.320 2.866 20 30 FFEDRM N#Cc1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cn1 ZINC000739102638 600618268 /nfs/dbraw/zinc/61/82/68/600618268.db2.gz ZTDOMNLZGYWRQH-GOSISDBHSA-N -1 0 359.385 2.780 20 30 FFEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Br)cc1 ZINC000739074678 600630597 /nfs/dbraw/zinc/63/05/97/600630597.db2.gz KVMCLQRLGYMQJE-ZDUSSCGKSA-N -1 0 360.167 2.537 20 30 FFEDRM C#CCOc1cc(F)ccc1NCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736075766 600679475 /nfs/dbraw/zinc/67/94/75/600679475.db2.gz HAGFIFRVLPKTTC-UHFFFAOYSA-N -1 0 356.353 2.895 20 30 FFEDRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000827391698 600712539 /nfs/dbraw/zinc/71/25/39/600712539.db2.gz INLHKNQOGZNMSY-ABAIWWIYSA-N -1 0 362.382 2.530 20 30 FFEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000728184892 600737355 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FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000013189404 604852705 /nfs/dbraw/zinc/85/27/05/604852705.db2.gz RBGOTRUHUFQNQF-SCLBCKFNSA-N -1 0 368.389 2.666 20 30 FFEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000833411241 604910475 /nfs/dbraw/zinc/91/04/75/604910475.db2.gz OCLLSSQDGUSARI-AUUYWEPGSA-N -1 0 352.390 2.710 20 30 FFEDRM CCN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829734463 604938073 /nfs/dbraw/zinc/93/80/73/604938073.db2.gz BTMUFIHXFBQHIZ-GOSISDBHSA-N -1 0 362.389 2.855 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cncc(C(=O)[O-])c1 ZINC000833376492 605016026 /nfs/dbraw/zinc/01/60/26/605016026.db2.gz XBQHIYCLGBPNAE-GFCCVEGCSA-N -1 0 374.418 2.601 20 30 FFEDRM C=C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833370418 605020567 /nfs/dbraw/zinc/02/05/67/605020567.db2.gz OHTYKVIEGIGPLO-UHFFFAOYSA-N -1 0 350.396 2.954 20 30 FFEDRM C=CCn1c(SC[C@H]2CC(C(=O)[O-])=NO2)nnc1-c1ccccc1C ZINC000833380505 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2.838 20 30 FFEDRM CC[C@@](CNC(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595159826 979679338 /nfs/dbraw/zinc/67/93/38/979679338.db2.gz NZQDGCNOOBXPCK-IBGZPJMESA-N -1 0 358.344 2.999 20 30 FFEDRM Cc1cc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)nn1CCC#N ZINC000263037382 980334178 /nfs/dbraw/zinc/33/41/78/980334178.db2.gz LKRNHZQRDUUFGE-INIZCTEOSA-N -1 0 369.425 2.703 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1c(C)n(CCC)c2ccc(OC)cc21)C(=O)[O-] ZINC000263055484 980346714 /nfs/dbraw/zinc/34/67/14/980346714.db2.gz QEOWSZMORGRPQC-INIZCTEOSA-N -1 0 374.437 2.754 20 30 FFEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc(CC#N)cc2)c1 ZINC000263102266 980421422 /nfs/dbraw/zinc/42/14/22/980421422.db2.gz FNAXELLBSAJYAR-FQEVSTJZSA-N -1 0 352.390 2.881 20 30 FFEDRM C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000905567711 980467069 /nfs/dbraw/zinc/46/70/69/980467069.db2.gz OSAFZTVDZSPNCQ-MJBXVCDLSA-N -1 0 372.343 2.516 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] 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CCOC(=O)[C@H](c1cccc(Cl)c1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001596545084 984403399 /nfs/dbraw/zinc/40/33/99/984403399.db2.gz WIMRHQJGVWAHQL-AWEZNQCLSA-N -1 0 350.802 2.635 20 30 FFEDRM Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000058112352 984547381 /nfs/dbraw/zinc/54/73/81/984547381.db2.gz AMKRGIYQLUUAED-UHFFFAOYSA-N -1 0 374.422 2.755 20 30 FFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cc(C)cn3)cc2)c1 ZINC000058187853 984556708 /nfs/dbraw/zinc/55/67/08/984556708.db2.gz IGYGVDYTQHLOOH-UHFFFAOYSA-N -1 0 371.418 2.883 20 30 FFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)c1 ZINC000760964928 984601263 /nfs/dbraw/zinc/60/12/63/984601263.db2.gz ATFPJKCXDRBTID-UONOGXRCSA-N -1 0 371.418 2.964 20 30 FFEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc([C@@H]3CCCO3)s2)c1 ZINC000760964927 984601436 /nfs/dbraw/zinc/60/14/36/984601436.db2.gz ATFPJKCXDRBTID-KGLIPLIRSA-N -1 0 371.418 2.964 20 30 FFEDRM N#Cc1ccc2c(c1)N(C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)CC2 ZINC001127786807 984616717 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351.406 2.976 20 30 FFEDRM Cc1c(Br)cc(C#N)c(=O)n1C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001599970138 985991621 /nfs/dbraw/zinc/99/16/21/985991621.db2.gz AIKQXWDFZGYDRY-CMPLNLGQSA-N -1 0 353.216 2.682 20 30 FFEDRM C[C@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000173966484 986026002 /nfs/dbraw/zinc/02/60/02/986026002.db2.gz IAAIBMGVQAVSKL-OAHLLOKOSA-N -1 0 372.446 2.609 20 30 FFEDRM CCOCc1nc(Cl)cc(N=NC(C)c2ncc(C(=O)[O-])s2)n1 ZINC001596952782 986126501 /nfs/dbraw/zinc/12/65/01/986126501.db2.gz YKLPJJLHEFZHSC-UHFFFAOYSA-N -1 0 355.807 2.657 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-] ZINC001599979423 986141985 /nfs/dbraw/zinc/14/19/85/986141985.db2.gz XNDPQQMJSBNQFG-SFHVURJKSA-N -1 0 368.418 2.551 20 30 FFEDRM C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C(=O)[O-])CN1Cc1ccccc1C#N ZINC001594544124 986197569 /nfs/dbraw/zinc/19/75/69/986197569.db2.gz DDTMOZWJNVETCB-IIBYNOLFSA-N -1 0 374.444 2.589 20 30 FFEDRM CCOc1cc(C#N)ccc1OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001596993502 986284355 /nfs/dbraw/zinc/28/43/55/986284355.db2.gz HHURPJLVLPMDBP-UHFFFAOYSA-N -1 0 356.290 2.783 20 30 FFEDRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1cccc(CC#N)c1 ZINC001597076508 986610759 /nfs/dbraw/zinc/61/07/59/986610759.db2.gz SMWJGPWPBZBOOE-UHFFFAOYSA-N -1 0 361.375 2.617 20 30 FFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000528903350 986684922 /nfs/dbraw/zinc/68/49/22/986684922.db2.gz APZGCPVRIJZUFQ-ROUUACIJSA-N -1 0 372.421 2.837 20 30 FFEDRM C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655948470 986713303 /nfs/dbraw/zinc/71/33/03/986713303.db2.gz ZYKTUWNYOOQTGU-VNQPRFMTSA-N -1 0 372.465 2.995 20 30 FFEDRM CCC(C#N)(CC)c1nnc(N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)n1C ZINC001594721912 987207296 /nfs/dbraw/zinc/20/72/96/987207296.db2.gz GUXBSGDTRXXYRJ-HOTGVXAUSA-N -1 0 367.453 2.701 20 30 FFEDRM CCC(C#N)(CC)c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1CC1CC1 ZINC001594722084 987208540 /nfs/dbraw/zinc/20/85/40/987208540.db2.gz 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Cc1ccc(/C=C\C(=O)c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)cc1 ZINC000916154590 989751105 /nfs/dbraw/zinc/75/11/05/989751105.db2.gz MUUGTFYFTHPBSQ-KTKRTIGZSA-N -1 0 373.430 2.644 20 30 FFEDRM CCCN1C(=O)C(=NN=Cc2ccccc2OCC(=O)[O-])c2ccccc21 ZINC000916312878 989776130 /nfs/dbraw/zinc/77/61/30/989776130.db2.gz UJAJRIPMURFIRF-UHFFFAOYSA-N -1 0 365.389 2.730 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000916898259 990015333 /nfs/dbraw/zinc/01/53/33/990015333.db2.gz ZQMYSHBNSIXFQP-MRXNPFEDSA-N -1 0 353.422 2.733 20 30 FFEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000916918099 990027125 /nfs/dbraw/zinc/02/71/25/990027125.db2.gz PWENSIMNDCHLBX-OAHLLOKOSA-N -1 0 364.361 2.963 20 30 FFEDRM CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])n(-c2ccc(C#N)cc2)n1 ZINC001590462599 990034634 /nfs/dbraw/zinc/03/46/34/990034634.db2.gz ZUXVKHSXWVOOHW-UONOGXRCSA-N -1 0 352.394 2.701 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nnn(-c2cccc(C)c2)c1C ZINC000917425099 990217780 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ZINC001588613919 1080122733 /nfs/dbraw/zinc/12/27/33/1080122733.db2.gz HDRWIZJXMDUHQW-INIZCTEOSA-N -1 0 373.453 2.776 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC001588618877 1080123858 /nfs/dbraw/zinc/12/38/58/1080123858.db2.gz DDBLUPCOKHOYQR-HNNXBMFYSA-N -1 0 362.451 2.564 20 30 FFEDRM C=C[C@@H](C(=O)[O-])N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001588663301 1080146566 /nfs/dbraw/zinc/14/65/66/1080146566.db2.gz DRCFYICFFDYUEB-ZDUSSCGKSA-N -1 0 352.228 2.957 20 30 FFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001588677159 1080150311 /nfs/dbraw/zinc/15/03/11/1080150311.db2.gz VELIUTYFMYFHTR-UHFFFAOYSA-N -1 0 356.400 2.564 20 30 FFEDRM C=CC(C)(C)NC(=O)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588680628 1080152404 /nfs/dbraw/zinc/15/24/04/1080152404.db2.gz BPRBZWTZGJQQMU-UHFFFAOYSA-N -1 0 370.858 2.926 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001588771450 1080187909 /nfs/dbraw/zinc/18/79/09/1080187909.db2.gz UZSCJULPFGCMET-SMDDNHRTSA-N -1 0 368.411 2.706 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588771020 1080188620 /nfs/dbraw/zinc/18/86/20/1080188620.db2.gz LRRIZUJAKYUXJT-PWSUYJOCSA-N -1 0 365.817 2.623 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001588771648 1080188623 /nfs/dbraw/zinc/18/86/23/1080188623.db2.gz XIFVBNBNPVJXKL-SMDDNHRTSA-N -1 0 368.411 2.706 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccccc1[S@](=O)C(F)(F)F)C(=O)[O-] ZINC001588792850 1080198936 /nfs/dbraw/zinc/19/89/36/1080198936.db2.gz GSGJIVLVGSAKQM-BUBHHJDNSA-N -1 0 363.357 2.853 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001588794321 1080199852 /nfs/dbraw/zinc/19/98/52/1080199852.db2.gz QZYVVAOLWFNNFS-ZFWWWQNUSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1ccccc1 ZINC001588794296 1080199869 /nfs/dbraw/zinc/19/98/69/1080199869.db2.gz QHPDKRQUVVTXEP-ROUUACIJSA-N -1 0 360.454 2.951 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(C)n(C)c2ccccc21)C(=O)[O-] ZINC001588798983 1080202015 /nfs/dbraw/zinc/20/20/15/1080202015.db2.gz XCTKQJSEEBFEKE-CQSZACIVSA-N -1 0 350.440 2.575 20 30 FFEDRM C=CCCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588802519 1080203174 /nfs/dbraw/zinc/20/31/74/1080203174.db2.gz PXQWACUTKVPMLT-QGZVFWFLSA-N -1 0 369.469 2.921 20 30 FFEDRM C=CCCn1cc([C@@H]2NC(=O)N(CC3CCCCC3)C(C)=C2C(=O)[O-])nn1 ZINC001588817614 1080206641 /nfs/dbraw/zinc/20/66/41/1080206641.db2.gz PVEPQXGRXRLZNF-KRWDZBQOSA-N -1 0 373.457 2.859 20 30 FFEDRM C=CCN(Cc1oncc1C(=O)[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588831654 1080211005 /nfs/dbraw/zinc/21/10/05/1080211005.db2.gz GUAZWWFBXUFJFE-INIZCTEOSA-N -1 0 358.394 2.535 20 30 FFEDRM C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1=O ZINC001588836763 1080213071 /nfs/dbraw/zinc/21/30/71/1080213071.db2.gz HCAXGBNCWDFJNN-QGZVFWFLSA-N -1 0 367.405 2.789 20 30 FFEDRM C=CCNc1ncc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)s1 ZINC001588849354 1080216993 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C=CCn1c([C@H](OC)C2CC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588895621 1080245019 /nfs/dbraw/zinc/24/50/19/1080245019.db2.gz JXRHABSSCZGBGI-OAHLLOKOSA-N -1 0 360.414 2.798 20 30 FFEDRM C=CCn1c([C@@H](OC)C2CC2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588895620 1080245034 /nfs/dbraw/zinc/24/50/34/1080245034.db2.gz JXRHABSSCZGBGI-HNNXBMFYSA-N -1 0 360.414 2.798 20 30 FFEDRM C=CCn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588897123 1080246100 /nfs/dbraw/zinc/24/61/00/1080246100.db2.gz OWMTYGXEGOZPSO-HOTGVXAUSA-N -1 0 372.473 2.869 20 30 FFEDRM C=CCn1c(CC(C)(C)C#N)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588897498 1080247152 /nfs/dbraw/zinc/24/71/52/1080247152.db2.gz KPDTZFFJFZUASX-UHFFFAOYSA-N -1 0 365.437 2.817 20 30 FFEDRM C=CCn1c(N(C)Cc2cc(C(=O)[O-])c(C)o2)nnc1C(C)(C)COC ZINC001588904345 1080253784 /nfs/dbraw/zinc/25/37/84/1080253784.db2.gz OWYODEHKXFYTQT-UHFFFAOYSA-N -1 0 362.430 2.624 20 30 FFEDRM C=CCn1c(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588905402 1080254798 /nfs/dbraw/zinc/25/47/98/1080254798.db2.gz WEIDYHXOOBDDNI-KYNGSXCRSA-N -1 0 358.442 2.695 20 30 FFEDRM C=CCn1c(N2CCc3cccc(C(=O)[O-])c3C2)nnc1C(C)(C)CC#N ZINC001588905119 1080254901 /nfs/dbraw/zinc/25/49/01/1080254901.db2.gz PVAUKMZKJBZVCF-UHFFFAOYSA-N -1 0 365.437 2.916 20 30 FFEDRM C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)CCC(=O)[O-] ZINC001588907204 1080255841 /nfs/dbraw/zinc/25/58/41/1080255841.db2.gz HMHRLRKXVLTRFI-UHFFFAOYSA-N -1 0 366.826 2.762 20 30 FFEDRM C=CCn1cc2ccc(NC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2n1 ZINC001588909612 1080257826 /nfs/dbraw/zinc/25/78/26/1080257826.db2.gz ZENAMKHPQXRXIR-HNNXBMFYSA-N -1 0 354.410 2.941 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588916355 1080263475 /nfs/dbraw/zinc/26/34/75/1080263475.db2.gz HSLHKUJZAUEKAJ-MFKMUULPSA-N -1 0 354.200 2.985 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC001588916539 1080263780 /nfs/dbraw/zinc/26/37/80/1080263780.db2.gz RBAIFXSPDZQGDE-MCIONIFRSA-N -1 0 368.227 2.672 20 30 FFEDRM CC(=NOCC(=O)N(C(C)C)C(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017580 1080308132 /nfs/dbraw/zinc/30/81/32/1080308132.db2.gz VOEYKEQDGIAMLH-UHFFFAOYSA-N -1 0 350.415 2.536 20 30 FFEDRM C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(=O)[O-] ZINC001589044510 1080320901 /nfs/dbraw/zinc/32/09/01/1080320901.db2.gz SSHSBBMSWUFGDF-GFCCVEGCSA-N -1 0 363.845 2.655 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)NCc2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1C ZINC001589243342 1080441865 /nfs/dbraw/zinc/44/18/65/1080441865.db2.gz KDMCDQMQJFGEOM-UHFFFAOYSA-N -1 0 373.796 2.608 20 30 FFEDRM C[C@H]1c2c(C#N)c(NC(=O)c3cc(C(=O)[O-])nn3C)sc2CC[C@@H]1C ZINC001589365678 1080505197 /nfs/dbraw/zinc/50/51/97/1080505197.db2.gz VKKCHAYLQJFSQU-DTWKUNHWSA-N -1 0 358.423 2.990 20 30 FFEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001589463704 1080545506 /nfs/dbraw/zinc/54/55/06/1080545506.db2.gz JVJLPCNSCDMDSO-SMDDNHRTSA-N -1 0 366.377 2.649 20 30 FFEDRM CC(C)(C#N)Cc1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1Cc1cccs1 ZINC001589558132 1080604878 /nfs/dbraw/zinc/60/48/78/1080604878.db2.gz MPALNMBJNXAQRQ-SFHVURJKSA-N -1 0 373.482 2.781 20 30 FFEDRM CC(C)(C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(C#N)cc1 ZINC001589574668 1080612810 /nfs/dbraw/zinc/61/28/10/1080612810.db2.gz DFVCHFZQFRZNFE-UHFFFAOYSA-N -1 0 362.389 2.727 20 30 FFEDRM CC(C)CCN(CCC#N)C(=O)[C@H](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001589600365 1080629806 /nfs/dbraw/zinc/62/98/06/1080629806.db2.gz DEMVRIPSWZEOIE-OAHLLOKOSA-N -1 0 354.458 2.834 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2scnc2C2CC2)o1 ZINC001589664600 1080657112 /nfs/dbraw/zinc/65/71/12/1080657112.db2.gz POJFHMVMPLBDBD-UHFFFAOYSA-N -1 0 358.431 2.833 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2c(F)cc(C#N)cc2F)o1 ZINC001589664684 1080659131 /nfs/dbraw/zinc/65/91/31/1080659131.db2.gz URFLMECSISEMTG-UHFFFAOYSA-N -1 0 372.339 2.649 20 30 FFEDRM C[C@]1(C#N)CCCN(C(=O)c2c(Cl)cc(-c3nn[nH]n3)cc2Cl)C1 ZINC001590054487 1080982800 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FFEDRM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)n[nH]1 ZINC000276912252 256141552 /nfs/dbraw/zinc/14/15/52/256141552.db2.gz JZCGDROSLXOREN-DTWKUNHWSA-N -1 0 369.397 2.508 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)o1 ZINC000288385210 257182675 /nfs/dbraw/zinc/18/26/75/257182675.db2.gz ZRSMYOXQDXYTJC-UHFFFAOYSA-N -1 0 371.418 2.641 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c(Cl)c1 ZINC000330768964 258170290 /nfs/dbraw/zinc/17/02/90/258170290.db2.gz YUIISHJJIMBZKC-UHFFFAOYSA-N -1 0 368.764 2.601 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000329648890 258143735 /nfs/dbraw/zinc/14/37/35/258143735.db2.gz JKOUFXZFVWZYSE-KGLIPLIRSA-N -1 0 359.451 2.554 20 30 FFEDRM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1Cl ZINC000032630349 506272467 /nfs/dbraw/zinc/27/24/67/506272467.db2.gz YOHPVIHBQNZIAK-UHFFFAOYSA-N -1 0 363.826 2.714 20 30 FFEDRM C[C@@H](C#N)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000053078927 506308991 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CC1([C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C(=O)[O-])CCCCC1 ZINC000547700746 516507539 /nfs/dbraw/zinc/50/75/39/516507539.db2.gz IRXQHRIKBASAMG-HNNXBMFYSA-N -1 0 368.430 2.540 20 30 FFEDRM COc1ccc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000518168328 516565162 /nfs/dbraw/zinc/56/51/62/516565162.db2.gz AQBAXUITNOYPFY-UHFFFAOYSA-N -1 0 374.418 2.811 20 30 FFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cncc(N3CCOCC3)c2)n1 ZINC000536070096 516618516 /nfs/dbraw/zinc/61/85/16/516618516.db2.gz DJIFNEPDYKFNIX-HNNXBMFYSA-N -1 0 356.451 2.988 20 30 FFEDRM N#CC1(CS(=O)(=O)N(CCCC(=O)[O-])Cc2ccccc2)CCCC1 ZINC000547918974 516633718 /nfs/dbraw/zinc/63/37/18/516633718.db2.gz TUMCKWZSUKTDKO-UHFFFAOYSA-N -1 0 364.467 2.767 20 30 FFEDRM Cc1cccc(S(=O)(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1C#N ZINC000547933013 516638937 /nfs/dbraw/zinc/63/89/37/516638937.db2.gz PLVZSVKKKVVXIE-ZFWWWQNUSA-N -1 0 350.440 2.569 20 30 FFEDRM COc1cc(C#N)ccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540669237 516659332 /nfs/dbraw/zinc/65/93/32/516659332.db2.gz YSTUFIXVNVPSAX-QGZVFWFLSA-N -1 0 374.780 2.541 20 30 FFEDRM Cn1nccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000524383791 516707630 /nfs/dbraw/zinc/70/76/30/516707630.db2.gz WDPSVOQPNJSYBA-UHFFFAOYSA-N -1 0 368.418 2.672 20 30 FFEDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1C1CC1 ZINC000528906464 516786759 /nfs/dbraw/zinc/78/67/59/516786759.db2.gz IHSJHJDNXCCTLP-ULCPSODYSA-N -1 0 372.368 2.674 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccccc1C ZINC000528989528 516846570 /nfs/dbraw/zinc/84/65/70/516846570.db2.gz RCUZMUCYBRYJGN-AWEZNQCLSA-N -1 0 372.446 2.559 20 30 FFEDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000548245116 516848339 /nfs/dbraw/zinc/84/83/39/516848339.db2.gz AIDUKQLLYFUYPZ-NSHDSACASA-N -1 0 370.858 2.723 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000548248507 516849516 /nfs/dbraw/zinc/84/95/16/516849516.db2.gz FYONVQUFMVMFJY-GOSISDBHSA-N -1 0 370.430 2.612 20 30 FFEDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000548260975 516856227 /nfs/dbraw/zinc/85/62/27/516856227.db2.gz ZMOYYDQHGOERAC-QMTHXVAHSA-N -1 0 358.847 2.769 20 30 FFEDRM Cc1oc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1S(C)(=O)=O ZINC000529020074 516868432 /nfs/dbraw/zinc/86/84/32/516868432.db2.gz JDWLGLOUWHTOET-JTQLQIEISA-N -1 0 372.324 2.895 20 30 FFEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1 ZINC000555413923 516916400 /nfs/dbraw/zinc/91/64/00/516916400.db2.gz RCHXLFAWNQINRP-LLVKDONJSA-N -1 0 361.370 2.738 20 30 FFEDRM Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C2(C)CCCCC2)c1C#N ZINC000548356808 516932989 /nfs/dbraw/zinc/93/29/89/516932989.db2.gz PEZYCENQLZRQKH-OAHLLOKOSA-N -1 0 350.440 2.569 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cnccc2Oc2ccccc2)c1 ZINC000514698719 517010095 /nfs/dbraw/zinc/01/00/95/517010095.db2.gz FAIKZYAHJBUZFW-UHFFFAOYSA-N -1 0 352.375 2.941 20 30 FFEDRM C=CC[C@H](CO)CNC(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000537105198 517038452 /nfs/dbraw/zinc/03/84/52/517038452.db2.gz SUILCXGTDJBXNL-DZGCQCFKSA-N -1 0 360.483 2.808 20 30 FFEDRM Cc1cc(S(=O)(=O)N(CC(=O)[O-])Cc2cccc(C#N)c2)c(C)s1 ZINC000548581321 517064845 /nfs/dbraw/zinc/06/48/45/517064845.db2.gz XIKQTCPWZMMGJL-UHFFFAOYSA-N -1 0 364.448 2.512 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1F ZINC000548579814 517065108 /nfs/dbraw/zinc/06/51/08/517065108.db2.gz HUHLZXRRICWHCQ-OAHLLOKOSA-N -1 0 362.382 2.500 20 30 FFEDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000548588252 517068667 /nfs/dbraw/zinc/06/86/67/517068667.db2.gz LJIZIURKRORBEI-ZWNOBZJWSA-N -1 0 358.847 2.769 20 30 FFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000562610946 517235784 /nfs/dbraw/zinc/23/57/84/517235784.db2.gz WQLLFHKKOCWMIG-KGLIPLIRSA-N -1 0 362.430 2.930 20 30 FFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(cc2OC)OCO3)n1 ZINC000545449407 517244969 /nfs/dbraw/zinc/24/49/69/517244969.db2.gz UIVYGVXDASWMLV-JTQLQIEISA-N -1 0 374.374 2.547 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000556061181 517249618 /nfs/dbraw/zinc/24/96/18/517249618.db2.gz SRSZPDVNKDPZDT-UHFFFAOYSA-N -1 0 361.419 2.770 20 30 FFEDRM CC(C)CCc1ccc(NC(=O)C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1 ZINC000526124560 517355725 /nfs/dbraw/zinc/35/57/25/517355725.db2.gz UZTHTOSJQIYSRQ-UHFFFAOYSA-N -1 0 367.453 2.923 20 30 FFEDRM COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000515494154 517379025 /nfs/dbraw/zinc/37/90/25/517379025.db2.gz DWHHGRUTMYLZFY-INIZCTEOSA-N -1 0 352.390 2.956 20 30 FFEDRM Cc1cc(C)c(C[C@H](C(=O)N=c2[n-]n(C)cc2C#N)C(F)(F)F)c(C)c1 ZINC000533761654 517601198 /nfs/dbraw/zinc/60/11/98/517601198.db2.gz SRZCBXXLKGABKO-OAHLLOKOSA-N -1 0 364.371 2.999 20 30 FFEDRM CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000516268808 517644248 /nfs/dbraw/zinc/64/42/48/517644248.db2.gz UNAIIBDOABZRHV-UHFFFAOYSA-N -1 0 362.407 2.836 20 30 FFEDRM CC1(C)CC[C@](NS(=O)(=O)c2cccc(Cl)c2C#N)(C(=O)[O-])C1 ZINC000556779137 517653792 /nfs/dbraw/zinc/65/37/92/517653792.db2.gz NHAZXGIDPJZBTE-OAHLLOKOSA-N -1 0 356.831 2.523 20 30 FFEDRM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000538539437 517660670 /nfs/dbraw/zinc/66/06/70/517660670.db2.gz UVXNNHCJZFSKQL-STQMWFEESA-N -1 0 358.410 2.708 20 30 FFEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2OC)c1 ZINC000556799632 517667001 /nfs/dbraw/zinc/66/70/01/517667001.db2.gz BYOGFJNXKAGJAO-UHFFFAOYSA-N -1 0 362.407 2.523 20 30 FFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000549722855 517674127 /nfs/dbraw/zinc/67/41/27/517674127.db2.gz ZOSJGUUHXMWDJY-UHFFFAOYSA-N -1 0 362.208 2.993 20 30 FFEDRM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H](Nc2ccc(CC#N)cc2)C1=O ZINC000516382170 517676396 /nfs/dbraw/zinc/67/63/96/517676396.db2.gz FPLQLQWJSAHCIN-INIZCTEOSA-N -1 0 363.373 2.503 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000560400026 517768709 /nfs/dbraw/zinc/76/87/09/517768709.db2.gz JVVOOQPOYBGWSF-KFWWJZLASA-N -1 0 358.467 2.967 20 30 FFEDRM CNc1ccc(C#N)cc1NC(=O)c1cnc2cc(F)c(OC)cc2c1O ZINC000557062137 517830396 /nfs/dbraw/zinc/83/03/96/517830396.db2.gz RBFUFDUNMGWZOD-UHFFFAOYSA-N -1 0 366.352 2.841 20 30 FFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000521712847 517835957 /nfs/dbraw/zinc/83/59/57/517835957.db2.gz MEQFHJWXEYWONB-UHFFFAOYSA-N -1 0 366.420 2.873 20 30 FFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000563410946 517886692 /nfs/dbraw/zinc/88/66/92/517886692.db2.gz SCEUQWFKFPHFJS-UHFFFAOYSA-N -1 0 360.435 2.915 20 30 FFEDRM C=C(C)COCCNC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000516904857 517902441 /nfs/dbraw/zinc/90/24/41/517902441.db2.gz LLGKJDFSHWACKI-FUHWJXTLSA-N -1 0 360.454 2.842 20 30 FFEDRM C[C@H](CC(C)(C)NS(=O)(=O)c1ccc(CC#N)cc1Cl)C(=O)[O-] ZINC000517014356 517975698 /nfs/dbraw/zinc/97/56/98/517975698.db2.gz LSEQMZYHNSPDJW-SNVBAGLBSA-N -1 0 358.847 2.574 20 30 FFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000517075266 518015412 /nfs/dbraw/zinc/01/54/12/518015412.db2.gz IUGAIOSXCYFTSM-SECBINFHSA-N -1 0 355.309 2.542 20 30 FFEDRM C=CC[C@H](CO)CNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000557488284 518030985 /nfs/dbraw/zinc/03/09/85/518030985.db2.gz HDJBWKWXOOAAKX-ZDUSSCGKSA-N -1 0 364.496 2.558 20 30 FFEDRM C=CC[C@@H](CO)CNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000557488271 518032325 /nfs/dbraw/zinc/03/23/25/518032325.db2.gz HDJBWKWXOOAAKX-CYBMUJFWSA-N -1 0 364.496 2.558 20 30 FFEDRM N#Cc1c[nH]c(C(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)c1 ZINC000531121145 518143616 /nfs/dbraw/zinc/14/36/16/518143616.db2.gz WYLHGWWKWHRRDD-UHFFFAOYSA-N -1 0 359.411 2.843 20 30 FFEDRM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1)[C@@H]1C[C@H]1C ZINC000563864457 518207582 /nfs/dbraw/zinc/20/75/82/518207582.db2.gz IRVBBTNPEZEUBW-KZULUSFZSA-N -1 0 370.434 2.515 20 30 FFEDRM C=CCC[C@H](NC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000566840750 518226080 /nfs/dbraw/zinc/22/60/80/518226080.db2.gz FDSHZJOCZFPWIY-KRWDZBQOSA-N -1 0 356.426 2.708 20 30 FFEDRM C=CCn1c(CCc2ccc(OC)cc2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000564007152 518267261 /nfs/dbraw/zinc/26/72/61/518267261.db2.gz YTOVZNBBLARYSV-UHFFFAOYSA-N -1 0 352.442 2.763 20 30 FFEDRM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000564030110 518274580 /nfs/dbraw/zinc/27/45/80/518274580.db2.gz REAMXOHWOSTHEG-UHFFFAOYSA-N -1 0 372.388 2.769 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000566943739 518276688 /nfs/dbraw/zinc/27/66/88/518276688.db2.gz GLMWPZUSOMGIHR-UHFFFAOYSA-N -1 0 366.812 2.896 20 30 FFEDRM C=C(C)CS(=O)(=O)N(C)[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000581670056 518399806 /nfs/dbraw/zinc/39/98/06/518399806.db2.gz QIQIAGYAYOLHSM-GFCCVEGCSA-N -1 0 352.239 2.957 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000564385062 518425699 /nfs/dbraw/zinc/42/56/99/518425699.db2.gz GXFDZINIWPGFFV-UHFFFAOYSA-N -1 0 359.798 2.593 20 30 FFEDRM C=C(C)COc1cccc(NC(=O)N(CCC)[C@H](COC)C(=O)[O-])c1 ZINC000567330841 518468391 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358.344 2.882 20 30 FFEDRM Cc1nc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000738361606 599835689 /nfs/dbraw/zinc/83/56/89/599835689.db2.gz SUQCBGPKFYYACB-CYBMUJFWSA-N -1 0 356.407 2.629 20 30 FFEDRM C=CCCO[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736102254 599836015 /nfs/dbraw/zinc/83/60/15/599836015.db2.gz FIQCHLYQQRZPRJ-MEDUHNTESA-N -1 0 370.243 2.846 20 30 FFEDRM COc1ccc(CNC(=O)CSc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000738001839 599901678 /nfs/dbraw/zinc/90/16/78/599901678.db2.gz KBCZXXFYOFMSMK-UHFFFAOYSA-N -1 0 356.403 2.674 20 30 FFEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)CCCN(C)C(=O)[O-] ZINC000737266860 599911872 /nfs/dbraw/zinc/91/18/72/599911872.db2.gz JSXXAMVXOLWSGW-OAHLLOKOSA-N -1 0 359.426 2.849 20 30 FFEDRM Cc1nc(SCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(C#N)c(C)c1C ZINC000738869541 599920170 /nfs/dbraw/zinc/92/01/70/599920170.db2.gz VSHUDKMBRSDWEI-JTQLQIEISA-N -1 0 361.467 2.682 20 30 FFEDRM O=C([O-])CN1C/C(=C\c2cccc(O)c2)C(=O)/C(=C\c2cccc(O)c2)C1 ZINC000739799544 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352.390 2.619 20 30 FFEDRM N#Cc1ccc(CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739116958 600206528 /nfs/dbraw/zinc/20/65/28/600206528.db2.gz GGAAJSZMLWDWHT-UHFFFAOYSA-N -1 0 358.344 2.882 20 30 FFEDRM CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737395049 600211777 /nfs/dbraw/zinc/21/17/77/600211777.db2.gz OSIVQDLBMFDDGL-QGZVFWFLSA-N -1 0 357.797 2.908 20 30 FFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736894642 600231849 /nfs/dbraw/zinc/23/18/49/600231849.db2.gz IRGPHJYDFXWHEK-UHFFFAOYSA-N -1 0 352.456 2.866 20 30 FFEDRM N#Cc1ccc(N2CC[C@@H](Nc3ccc(CNC(=O)[O-])cc3)C2=O)cc1 ZINC000739122267 600328479 /nfs/dbraw/zinc/32/84/79/600328479.db2.gz DIZJUAWIVHWQLX-QGZVFWFLSA-N -1 0 350.378 2.543 20 30 FFEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000736427258 600331850 /nfs/dbraw/zinc/33/18/50/600331850.db2.gz RRCZJUBUDFBJQL-ZDUSSCGKSA-N -1 0 354.790 2.968 20 30 FFEDRM N#CCN(CC(=O)[O-])C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000739076571 600404303 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COC(=O)CCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737599400 600596516 /nfs/dbraw/zinc/59/65/16/600596516.db2.gz RWMMECBWGYGDPD-GOSISDBHSA-N -1 0 354.362 2.738 20 30 FFEDRM COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737891464 600604092 /nfs/dbraw/zinc/60/40/92/600604092.db2.gz HNLONDLWGKCJPJ-OAHLLOKOSA-N -1 0 360.753 2.785 20 30 FFEDRM CC[S@@](=O)c1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737231012 600609452 /nfs/dbraw/zinc/60/94/52/600609452.db2.gz XYNAUIGTKRKUPZ-PUAOIOHZSA-N -1 0 357.387 2.668 20 30 FFEDRM CC(=O)c1cccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736196392 600614244 /nfs/dbraw/zinc/61/42/44/600614244.db2.gz MDNYBFURQYHLPX-UGSOOPFHSA-N -1 0 367.357 2.897 20 30 FFEDRM CCOc1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)ccc1OCC(=O)[O-] ZINC000737186247 600679663 /nfs/dbraw/zinc/67/96/63/600679663.db2.gz JURKPGMCBKXMCB-UHFFFAOYSA-N -1 0 365.345 2.544 20 30 FFEDRM Cc1ccc([C@H](C)[C@H](O)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000832922767 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CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077881198 728288365 /nfs/dbraw/zinc/28/83/65/728288365.db2.gz LPGAPKFDASYSRC-DZGCQCFKSA-N -1 0 352.456 2.825 20 30 FFEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)nn2C)cc1 ZINC000080275890 728324369 /nfs/dbraw/zinc/32/43/69/728324369.db2.gz YIMPPOCGXUSZAX-UHFFFAOYSA-N -1 0 351.428 2.636 20 30 FFEDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000088808133 728438672 /nfs/dbraw/zinc/43/86/72/728438672.db2.gz CVJDFQPSLPTHMN-JTQLQIEISA-N -1 0 357.819 2.592 20 30 FFEDRM CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cn1 ZINC000091125463 728455203 /nfs/dbraw/zinc/45/52/03/728455203.db2.gz MSLKHJQHKCZNAG-UHFFFAOYSA-N -1 0 363.439 2.657 20 30 FFEDRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000097595973 728483220 /nfs/dbraw/zinc/48/32/20/728483220.db2.gz XKARUNJQZZEYAW-UHFFFAOYSA-N -1 0 364.826 2.821 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)cc1Cl ZINC000107023519 728514720 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Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124899306 728675973 /nfs/dbraw/zinc/67/59/73/728675973.db2.gz BHCHLCHYPXOWKI-OAHLLOKOSA-N -1 0 353.447 2.987 20 30 FFEDRM C=CCN(CC=C)S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000126344823 728699756 /nfs/dbraw/zinc/69/97/56/728699756.db2.gz GWBWOWKVRIQFKT-UHFFFAOYSA-N -1 0 374.256 2.818 20 30 FFEDRM N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc2cc(Cl)ccc2s1 ZINC000129896244 728713935 /nfs/dbraw/zinc/71/39/35/728713935.db2.gz KOSSUVQOSLXTLN-SNVBAGLBSA-N -1 0 356.794 2.934 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1sc(NC(=O)c2cccc(F)c2)cc1C ZINC000133501136 728727153 /nfs/dbraw/zinc/72/71/53/728727153.db2.gz DOSQKJPLQKGJSJ-GFCCVEGCSA-N -1 0 359.382 2.516 20 30 FFEDRM COc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000136404942 728739547 /nfs/dbraw/zinc/73/95/47/728739547.db2.gz NNUIXFJOQALKDG-ZDUSSCGKSA-N -1 0 352.818 2.602 20 30 FFEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)c1 ZINC000163294517 728955306 /nfs/dbraw/zinc/95/53/06/728955306.db2.gz UTZBOSDYKUSJFT-UHFFFAOYSA-N -1 0 362.794 2.533 20 30 FFEDRM CS[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000172544222 729027681 /nfs/dbraw/zinc/02/76/81/729027681.db2.gz DUCSZHYGJCEOGL-INIZCTEOSA-N -1 0 360.460 2.609 20 30 FFEDRM CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172544755 729027751 /nfs/dbraw/zinc/02/77/51/729027751.db2.gz KNGQJRKFOMFTGH-GOSISDBHSA-N -1 0 356.447 2.878 20 30 FFEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)s1 ZINC000173995759 729060080 /nfs/dbraw/zinc/06/00/80/729060080.db2.gz AZZCBLWAWNSVEN-CQSZACIVSA-N -1 0 357.435 2.743 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2(Cc3ccccc3)CCC2)c1 ZINC000177132664 729129129 /nfs/dbraw/zinc/12/91/29/729129129.db2.gz XUNKZPXDKLWJGH-UHFFFAOYSA-N -1 0 354.431 2.776 20 30 FFEDRM CSCc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccc1F ZINC000177593624 729140061 /nfs/dbraw/zinc/14/00/61/729140061.db2.gz RJSMZCSLIUCBHQ-OAHLLOKOSA-N -1 0 366.458 2.942 20 30 FFEDRM CSCc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)ccc1F ZINC000177593612 729140192 /nfs/dbraw/zinc/14/01/92/729140192.db2.gz RJSMZCSLIUCBHQ-HNNXBMFYSA-N -1 0 366.458 2.942 20 30 FFEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000178968424 729174738 /nfs/dbraw/zinc/17/47/38/729174738.db2.gz HBPRNLJIJCEBCM-UHFFFAOYSA-N -1 0 365.373 2.802 20 30 FFEDRM CN(C)c1ncc(Br)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179737263 729193439 /nfs/dbraw/zinc/19/34/39/729193439.db2.gz GDTFHERZJDKFHH-UHFFFAOYSA-N -1 0 361.199 2.740 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2F)c1 ZINC000195496501 729540098 /nfs/dbraw/zinc/54/00/98/729540098.db2.gz UMNJLEONFWTQDR-UHFFFAOYSA-N -1 0 352.774 2.611 20 30 FFEDRM COCC[S@@](=O)Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255053932 729630373 /nfs/dbraw/zinc/63/03/73/729630373.db2.gz HMSJAPQIEZOEGL-RUZDIDTESA-N -1 0 362.407 2.946 20 30 FFEDRM C=CCC[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC000262860028 729672658 /nfs/dbraw/zinc/67/26/58/729672658.db2.gz IQPMYVDUVPANEV-HNNXBMFYSA-N -1 0 362.426 2.951 20 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738454331 /nfs/dbraw/zinc/45/43/31/738454331.db2.gz CKNMDSQZBCKYHJ-UHFFFAOYSA-N -1 0 364.442 2.777 20 30 FFEDRM Cc1nc(CC(C)C)sc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779316882 738454654 /nfs/dbraw/zinc/45/46/54/738454654.db2.gz UYOUTMAIZVLRSN-UHFFFAOYSA-N -1 0 369.512 2.794 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2[nH]c3ccccc3c2Cl)CCCC1 ZINC000779317928 738455060 /nfs/dbraw/zinc/45/50/60/738455060.db2.gz MCLNBAZFVCIAJU-UHFFFAOYSA-N -1 0 365.842 2.965 20 30 FFEDRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779319112 738455069 /nfs/dbraw/zinc/45/50/69/738455069.db2.gz BDCYGEKXUPMPRB-UHFFFAOYSA-N -1 0 364.467 2.684 20 30 FFEDRM C=CCN(C(=O)N=c1[n-]nc(C(F)(F)C(F)(F)F)s1)[C@@H](C)COC ZINC000640387904 730147706 /nfs/dbraw/zinc/14/77/06/730147706.db2.gz SALBEIWZJYWFGL-ZETCQYMHSA-N -1 0 374.335 2.669 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(-c2c(F)cccc2F)s1 ZINC000640443378 730152645 /nfs/dbraw/zinc/15/26/45/730152645.db2.gz PWOBQQRNULMTLP-CABZTGNLSA-N -1 0 366.393 2.618 20 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ZINC001602781034 971521437 /nfs/dbraw/zinc/52/14/37/971521437.db2.gz QRZNXYLRAHVVJH-SWLSCSKDSA-N -1 0 359.209 2.538 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](Cc1ccccc1)c1ccccn1 ZINC001602781108 971522461 /nfs/dbraw/zinc/52/24/61/971522461.db2.gz ROIWLRYKASXPBJ-JXFKEZNVSA-N -1 0 351.406 2.529 20 30 FFEDRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)CO1 ZINC001595004335 951178570 /nfs/dbraw/zinc/17/85/70/951178570.db2.gz HMEOYWLDAOFHEL-APWZRJJASA-N -1 0 364.401 2.690 20 30 FFEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592343185 951323027 /nfs/dbraw/zinc/32/30/27/951323027.db2.gz DJOVGJMHQFBUHA-MRXNPFEDSA-N -1 0 353.378 2.774 20 30 FFEDRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cccc(C#CCO)c2)C1 ZINC001595025016 951337225 /nfs/dbraw/zinc/33/72/25/951337225.db2.gz WMVMUDRZZILAOP-KRWDZBQOSA-N -1 0 363.413 2.714 20 30 FFEDRM CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593764507 954503390 /nfs/dbraw/zinc/50/33/90/954503390.db2.gz AFESAQIUNUAHNB-OAHLLOKOSA-N -1 0 368.315 2.545 20 30 FFEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC001594567145 955848796 /nfs/dbraw/zinc/84/87/96/955848796.db2.gz FYVIGATWQLBYSJ-UHFFFAOYSA-N -1 0 358.423 2.963 20 30 FFEDRM N#C[C@@]1(F)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001594602818 956151961 /nfs/dbraw/zinc/15/19/61/956151961.db2.gz RXHHBCLMNSTHKF-ZDUSSCGKSA-N -1 0 356.151 2.617 20 30 FFEDRM N#CCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc2c(c1)OCCO2 ZINC001594608900 956187661 /nfs/dbraw/zinc/18/76/61/956187661.db2.gz FCTVBXMLBMWSFT-DAXSKMNVSA-N -1 0 368.345 2.709 20 30 FFEDRM N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)COCC(=O)[O-] ZINC001594610488 956203915 /nfs/dbraw/zinc/20/39/15/956203915.db2.gz WRKYUXPDEXXOGU-UHFFFAOYSA-N -1 0 362.329 2.751 20 30 FFEDRM N#CCn1c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC001594610912 956207799 /nfs/dbraw/zinc/20/77/99/956207799.db2.gz IILJGEWBJZSZBH-QGZVFWFLSA-N -1 0 359.385 2.989 20 30 FFEDRM N#Cc1ccc(N2CCC[C@H](N[C@@H](C(=O)[O-])c3ccc(F)cc3)C2=O)cc1 ZINC001594621782 956288564 /nfs/dbraw/zinc/28/85/64/956288564.db2.gz RONGOWYZNBVISS-ZWKOTPCHSA-N -1 0 367.380 2.608 20 30 FFEDRM N#Cc1ccc(OC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)c(F)c1 ZINC001594624077 956300923 /nfs/dbraw/zinc/30/09/23/956300923.db2.gz PNMMVOFJNMFWLP-UONOGXRCSA-N -1 0 360.385 2.568 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)cc2)nc1 ZINC001594624897 956305073 /nfs/dbraw/zinc/30/50/73/956305073.db2.gz BXDKNSSIIXUWPN-ZDUSSCGKSA-N -1 0 352.350 2.684 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC001594298585 957889621 /nfs/dbraw/zinc/88/96/21/957889621.db2.gz XOTUGQUDSDEIML-OKZBNKHCSA-N -1 0 371.481 2.981 20 30 FFEDRM COc1ccc(C#N)cc1NC(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872841286 1013274228 /nfs/dbraw/zinc/27/42/28/1013274228.db2.gz PJFBRKQNTZHDBC-HXUWFJFHSA-N -1 0 350.374 2.864 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000121065618 961734636 /nfs/dbraw/zinc/73/46/36/961734636.db2.gz BLUNRGHCQJGUAJ-DOMZBBRYSA-N -1 0 363.373 2.779 20 30 FFEDRM N#Cc1ccc(CSCC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000263177267 962331219 /nfs/dbraw/zinc/33/12/19/962331219.db2.gz ZGYWHTZXSKJLFF-HNNXBMFYSA-N -1 0 372.368 2.657 20 30 FFEDRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(c3c(C#N)cnc4ccccc43)C2)cn1 ZINC000873069599 1013372721 /nfs/dbraw/zinc/37/27/21/1013372721.db2.gz MHEBXUNETYSZJB-UONOGXRCSA-N -1 0 361.405 2.535 20 30 FFEDRM CSCC[C@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nnn[n-]1 ZINC001167448861 963515622 /nfs/dbraw/zinc/51/56/22/963515622.db2.gz NXVKDCSXUWGEBB-LBPRGKRZSA-N -1 0 372.479 2.819 20 30 FFEDRM N#Cc1cc(Br)ccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000312862691 963599995 /nfs/dbraw/zinc/59/99/95/963599995.db2.gz ZUPLPPCWERWJMU-ZDUSSCGKSA-N -1 0 355.257 2.713 20 30 FFEDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000780370571 963631273 /nfs/dbraw/zinc/63/12/73/963631273.db2.gz YDSQETFKYCNCBP-UHFFFAOYSA-N -1 0 374.466 2.548 20 30 FFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(F)(F)F)c(F)c2)C(=O)O1 ZINC000588450118 965165856 /nfs/dbraw/zinc/16/58/56/965165856.db2.gz XKGWABSPLHVGJM-HKLWWIALSA-N -1 0 372.270 2.995 20 30 FFEDRM CCc1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000140392571 965194691 /nfs/dbraw/zinc/19/46/91/965194691.db2.gz BAHVXHBZIQCHSP-GFCCVEGCSA-N -1 0 371.418 2.746 20 30 FFEDRM C=CCc1cc(CNC(=O)N[C@@H](C/C=C/C)C(=O)[O-])cc(OC)c1OC ZINC000684729493 966120584 /nfs/dbraw/zinc/12/05/84/966120584.db2.gz XRLXLTHVKGWAGW-ZKKXHLJNSA-N -1 0 362.426 2.651 20 30 FFEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC000708187685 967206915 /nfs/dbraw/zinc/20/69/15/967206915.db2.gz NDCHHNOHMSVCSX-UHFFFAOYSA-N -1 0 357.229 2.574 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN2c2ncnc3sccc32)c1 ZINC000179742593 969051636 /nfs/dbraw/zinc/05/16/36/969051636.db2.gz DJKVQHIUDOMZMN-CQSZACIVSA-N -1 0 365.418 2.876 20 30 FFEDRM CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccn(CC(C)C)n1 ZINC000892494471 969147770 /nfs/dbraw/zinc/14/77/70/969147770.db2.gz DGPMNIQWKUSYOL-CQSZACIVSA-N -1 0 354.410 2.899 20 30 FFEDRM CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593747743 970139588 /nfs/dbraw/zinc/13/95/88/970139588.db2.gz FOFHJIDXDCNAHS-GOSISDBHSA-N -1 0 369.462 2.534 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C(=O)[O-])ccn2)c1C#N ZINC001604971379 972561645 /nfs/dbraw/zinc/56/16/45/972561645.db2.gz UXXNHGGTPCBYFK-UHFFFAOYSA-N -1 0 354.391 2.898 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000124991929 972703293 /nfs/dbraw/zinc/70/32/93/972703293.db2.gz WYDQTQLHGWSXKS-LJQANCHMSA-N -1 0 366.417 2.741 20 30 FFEDRM N#Cc1ccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1F ZINC001605602120 973910401 /nfs/dbraw/zinc/91/04/01/973910401.db2.gz QLEBSNVFQRWLNS-INIZCTEOSA-N -1 0 353.353 2.591 20 30 FFEDRM N#Cc1ccccc1CSCCNC(=O)NCc1ccccc1C(=O)[O-] ZINC001605619636 973938226 /nfs/dbraw/zinc/93/82/26/973938226.db2.gz CEYOQMQGZINJGN-UHFFFAOYSA-N -1 0 369.446 2.989 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(C)cc2)nn1 ZINC000125729476 975337939 /nfs/dbraw/zinc/33/79/39/975337939.db2.gz GOVUJPXWXWTGCW-MRXNPFEDSA-N -1 0 353.426 2.595 20 30 FFEDRM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000785394188 977948407 /nfs/dbraw/zinc/94/84/07/977948407.db2.gz FKVJMLSOBZUZMP-UHFFFAOYSA-N -1 0 374.374 2.576 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000729068198 978170070 /nfs/dbraw/zinc/17/00/70/978170070.db2.gz YBRAORBRTDWABC-ZBFHGGJFSA-N -1 0 365.433 2.872 20 30 FFEDRM N#CCCCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccccc1[S-] ZINC001271857938 979160840 /nfs/dbraw/zinc/16/08/40/979160840.db2.gz FPKVJGNQGCUNPX-IBGZPJMESA-N -1 0 357.479 2.876 20 30 FFEDRM CC[C@@](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001595131380 979551673 /nfs/dbraw/zinc/55/16/73/979551673.db2.gz SAUVDTJQTSUGIF-DGDFFNOKSA-N -1 0 369.392 2.957 20 30 FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001592833163 979568777 /nfs/dbraw/zinc/56/87/77/979568777.db2.gz CHQZESBOSKXREK-CQSZACIVSA-N -1 0 352.390 2.863 20 30 FFEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)COc1ccc(C#N)cc1)C(=O)[O-] ZINC001592839016 979593999 /nfs/dbraw/zinc/59/39/99/979593999.db2.gz TUPXECSBMPDWOK-LJQANCHMSA-N -1 0 372.808 2.793 20 30 FFEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000263373184 980723007 /nfs/dbraw/zinc/72/30/07/980723007.db2.gz VZJRIZTWKSOXOI-GXTWGEPZSA-N -1 0 368.355 2.809 20 30 FFEDRM CC(C)(C)O[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000179218901 981543835 /nfs/dbraw/zinc/54/38/35/981543835.db2.gz OSGSKVVRKWXVNK-QGZVFWFLSA-N -1 0 372.446 2.920 20 30 FFEDRM C=C[C@](C)(CCOC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909137699 981637663 /nfs/dbraw/zinc/63/76/63/981637663.db2.gz SFTBFNAONXMDMP-HXUWFJFHSA-N -1 0 356.422 2.980 20 30 FFEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C ZINC001595652399 982034340 /nfs/dbraw/zinc/03/43/40/982034340.db2.gz TXKURJGFEHFDNZ-DEYYWGMASA-N -1 0 356.463 2.732 20 30 FFEDRM C=CCCC[C@H](NC(=O)C1(OCc2ccccc2)CCOCC1)C(=O)[O-] ZINC000910911682 982092719 /nfs/dbraw/zinc/09/27/19/982092719.db2.gz GOCICDAXXDXYKZ-KRWDZBQOSA-N -1 0 361.438 2.678 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)C(=O)[O-] ZINC000910913258 982161561 /nfs/dbraw/zinc/16/15/61/982161561.db2.gz UHTCCBCAOVKAHB-KRWDZBQOSA-N -1 0 360.454 2.840 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(=O)[O-] ZINC000910915468 982162608 /nfs/dbraw/zinc/16/26/08/982162608.db2.gz MMBOPVDIVCZXID-AWEZNQCLSA-N -1 0 356.426 2.693 20 30 FFEDRM C#CCO[N-]C(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)OC(C)(C)C ZINC000897812107 982511332 /nfs/dbraw/zinc/51/13/32/982511332.db2.gz PUKHTELLDFZSFM-OAHLLOKOSA-N -1 0 358.394 2.550 20 30 FFEDRM N#Cc1cc(Br)ccc1C(=O)NN1CCc2ccccc2C1=O ZINC001152113828 1032105387 /nfs/dbraw/zinc/10/53/87/1032105387.db2.gz KIHAQUSEPMBVJP-UHFFFAOYSA-N -1 0 370.206 2.664 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588787069 984185495 /nfs/dbraw/zinc/18/54/95/984185495.db2.gz UECXXYGCDVQAML-ACJLOTCBSA-N -1 0 356.463 2.853 20 30 FFEDRM C#CCN(CC#C)C(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000764585263 984580510 /nfs/dbraw/zinc/58/05/10/984580510.db2.gz HDRIKNOFOOAMPP-UHFFFAOYSA-N -1 0 369.424 2.731 20 30 FFEDRM COc1ccccc1NC(=S)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000765556702 985187762 /nfs/dbraw/zinc/18/77/62/985187762.db2.gz XEDTWIBIBJLETO-UHFFFAOYSA-N -1 0 369.406 2.590 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nnn(-c2ccccc2Cl)c1C ZINC000171480838 985295198 /nfs/dbraw/zinc/29/51/98/985295198.db2.gz DYXXJJRDDJYAMO-ZDUSSCGKSA-N -1 0 373.844 2.858 20 30 FFEDRM CCO[C@@H]1C[C@@](NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)(C(=O)[O-])C1(C)C ZINC001596813705 985379923 /nfs/dbraw/zinc/37/99/23/985379923.db2.gz SUYXDLWWJAZNCI-GQWAEJPESA-N -1 0 358.438 2.511 20 30 FFEDRM CCO[C@@H]1C[C@](NC(=O)c2cccc(SCC#N)c2)(C(=O)[O-])C1(C)C ZINC001596827429 985441174 /nfs/dbraw/zinc/44/11/74/985441174.db2.gz LUGVZYJFDXBDIE-KDOFPFPSSA-N -1 0 362.451 2.690 20 30 FFEDRM CCO[C@@H]1C[C@](NC(=O)c2ccc(Cl)c(C#N)c2)(C(=O)[O-])C1(C)C ZINC001596829218 985453750 /nfs/dbraw/zinc/45/37/50/985453750.db2.gz XOXABRBSRQOHOI-DYVFJYSZSA-N -1 0 350.802 2.600 20 30 FFEDRM N#CC(=C([O-])c1occ2c1CCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000671749365 985695381 /nfs/dbraw/zinc/69/53/81/985695381.db2.gz PJIHYCWPOJYDJW-CQSZACIVSA-N -1 0 360.377 2.769 20 30 FFEDRM Cc1c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cnn1CCC#N ZINC001599985762 986226219 /nfs/dbraw/zinc/22/62/19/986226219.db2.gz YIWQBFQKBCNOTM-UHFFFAOYSA-N -1 0 358.423 2.996 20 30 FFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC001594566533 986352258 /nfs/dbraw/zinc/35/22/58/986352258.db2.gz CGXHWUUAYBAQPE-ZDUSSCGKSA-N -1 0 367.380 2.746 20 30 FFEDRM CCC(=O)c1cccc(C#N)c1OS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001594721913 987207075 /nfs/dbraw/zinc/20/70/75/987207075.db2.gz AZAWSVNVHMHZTH-UHFFFAOYSA-N -1 0 373.386 2.925 20 30 FFEDRM CCc1ccc(C#CC(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)cc1 ZINC001597494980 988040867 /nfs/dbraw/zinc/04/08/67/988040867.db2.gz NGAIBAXLBIADBW-SFHVURJKSA-N -1 0 353.349 2.618 20 30 FFEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001597543094 988237389 /nfs/dbraw/zinc/23/73/89/988237389.db2.gz SIZCSZDSRNKKTJ-QGZVFWFLSA-N -1 0 350.374 2.837 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(C)c2)c1 ZINC000193419723 988325242 /nfs/dbraw/zinc/32/52/42/988325242.db2.gz WEKKMYBCMCIMOZ-LJQANCHMSA-N -1 0 366.417 2.659 20 30 FFEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnn(CCC#N)c2C)cc1 ZINC001599811469 988343215 /nfs/dbraw/zinc/34/32/15/988343215.db2.gz RNIVYBLEFKTMLW-MRXNPFEDSA-N -1 0 372.450 2.773 20 30 FFEDRM CCN(CC)c1ccnc(N=NC(C)c2cccc(OCC(=O)[O-])c2)n1 ZINC000762616289 988524248 /nfs/dbraw/zinc/52/42/48/988524248.db2.gz AQUBUUVFVJAAAG-UHFFFAOYSA-N -1 0 357.414 2.622 20 30 FFEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc(C)cc2C)o1 ZINC000193610705 988713920 /nfs/dbraw/zinc/71/39/20/988713920.db2.gz FMWVEWGFTUSZGX-INIZCTEOSA-N -1 0 370.405 2.561 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000762996131 988947641 /nfs/dbraw/zinc/94/76/41/988947641.db2.gz PSICQPNAAYYNDO-WKPIXPDZSA-N -1 0 372.421 2.705 20 30 FFEDRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC001597768334 989232395 /nfs/dbraw/zinc/23/23/95/989232395.db2.gz YUIHEHFHMIVPTL-CQSZACIVSA-N -1 0 352.346 2.838 20 30 FFEDRM CCc1sc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1Br ZINC001597817889 989449786 /nfs/dbraw/zinc/44/97/86/989449786.db2.gz CIXFPYMNHHXWMR-UHFFFAOYSA-N -1 0 371.256 2.904 20 30 FFEDRM CCn1c(N2CCC[C@@](C)(C(=O)[O-])C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001597859129 989624267 /nfs/dbraw/zinc/62/42/67/989624267.db2.gz ONYHVOVPOYEIRJ-MJGOQNOKSA-N -1 0 357.458 2.715 20 30 FFEDRM CCn1cncc1/C=C1\CC(C(=O)[O-])C/C(=C\c2cncn2CC)C1=O ZINC001597922819 989857046 /nfs/dbraw/zinc/85/70/46/989857046.db2.gz NLZSGOXXNDLWTR-FNCQTZNRSA-N -1 0 354.410 2.650 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000917033155 990101110 /nfs/dbraw/zinc/10/11/10/990101110.db2.gz BLNWUNWORORLRZ-HNNXBMFYSA-N -1 0 370.430 2.641 20 30 FFEDRM CC(C)(CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(=O)[O-] ZINC001590738567 990534908 /nfs/dbraw/zinc/53/49/08/990534908.db2.gz ZLFRTYBFHNPIPO-UHFFFAOYSA-N -1 0 354.366 2.978 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(OC)c2)cc1 ZINC000155066778 990712419 /nfs/dbraw/zinc/71/24/19/990712419.db2.gz ZDDDOTVHIGTPPA-QGZVFWFLSA-N -1 0 352.390 2.651 20 30 FFEDRM CC(C)(NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC001590879348 990792757 /nfs/dbraw/zinc/79/27/57/990792757.db2.gz YRYCWHRMZYEPPG-UHFFFAOYSA-N -1 0 362.382 2.609 20 30 FFEDRM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000923083883 990842289 /nfs/dbraw/zinc/84/22/89/990842289.db2.gz UAGNLVUZXVFNMG-NODKNVJMSA-N -1 0 370.453 2.773 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001590904301 990865016 /nfs/dbraw/zinc/86/50/16/990865016.db2.gz AIWXVEAKGHSWTC-UHFFFAOYSA-N -1 0 352.390 2.773 20 30 FFEDRM CCCn1ncc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1C1CC1 ZINC000766170129 991136765 /nfs/dbraw/zinc/13/67/65/991136765.db2.gz OIMYNYLCXCLOTG-ZDUSSCGKSA-N -1 0 372.450 2.969 20 30 FFEDRM CN(C)c1ccc(C#N)cc1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001598307703 991276240 /nfs/dbraw/zinc/27/62/40/991276240.db2.gz GUPQESUQDJDXNX-UHFFFAOYSA-N -1 0 351.406 2.717 20 30 FFEDRM COc1ccccc1NC(=S)NN=C(C)c1ccc(OCC(=O)[O-])cc1 ZINC001599714161 991423975 /nfs/dbraw/zinc/42/39/75/991423975.db2.gz PZSKTQHSZXMYDA-UHFFFAOYSA-N -1 0 373.434 2.869 20 30 FFEDRM CN(CC(=O)Nc1ccccc1Cl)Cc1cccc(C(=O)[O-])c1C#N ZINC001598399490 991683990 /nfs/dbraw/zinc/68/39/90/991683990.db2.gz IYVJXKYAUAOMGR-UHFFFAOYSA-N -1 0 357.797 2.980 20 30 FFEDRM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069572673 991787033 /nfs/dbraw/zinc/78/70/33/991787033.db2.gz AXMXETIQGOIAGD-KTKRTIGZSA-N -1 0 370.434 2.960 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000069603205 991801027 /nfs/dbraw/zinc/80/10/27/991801027.db2.gz QFMGRADJTROLFW-UHFFFAOYSA-N -1 0 371.418 2.769 20 30 FFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001591342515 992320923 /nfs/dbraw/zinc/32/09/23/992320923.db2.gz GDNBABCZSFJLKF-UWVAXJGDSA-N -1 0 355.438 2.979 20 30 FFEDRM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598509116 992545296 /nfs/dbraw/zinc/54/52/96/992545296.db2.gz AYVDSLNWUDKZFR-UHFFFAOYSA-N -1 0 372.446 2.741 20 30 FFEDRM CC(C)Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001591505670 992650436 /nfs/dbraw/zinc/65/04/36/992650436.db2.gz KCMRWVHEYNWXIY-AWEZNQCLSA-N -1 0 370.457 2.882 20 30 FFEDRM CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001591508072 992661137 /nfs/dbraw/zinc/66/11/37/992661137.db2.gz LZWYOTHMZXIKFW-SFHVURJKSA-N -1 0 357.414 2.757 20 30 FFEDRM C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001593069883 993614331 /nfs/dbraw/zinc/61/43/31/993614331.db2.gz LFYSZXUPNKMKQJ-LEWSCRJBSA-N -1 0 369.343 2.914 20 30 FFEDRM COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C(=O)[O-])c1 ZINC001599598613 993782802 /nfs/dbraw/zinc/78/28/02/993782802.db2.gz JJOUIQTVEZRSKA-UHFFFAOYSA-N -1 0 374.418 2.995 20 30 FFEDRM COc1ccc(S(=O)(=O)Oc2ccc(C#N)c(Cl)c2)c(C(=O)[O-])c1 ZINC001599618622 994050480 /nfs/dbraw/zinc/05/04/80/994050480.db2.gz OLMSNGVYZZTUDV-UHFFFAOYSA-N -1 0 367.766 2.686 20 30 FFEDRM COc1ccc2ncc(C#N)c(OCC(=O)c3cc(C(=O)[O-])[nH]c3C)c2c1 ZINC001599634659 994269299 /nfs/dbraw/zinc/26/92/99/994269299.db2.gz GBUDMJHIVYLKGF-UHFFFAOYSA-N -1 0 365.345 2.712 20 30 FFEDRM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000727041474 994432687 /nfs/dbraw/zinc/43/26/87/994432687.db2.gz RWIZHNNOWHHFPP-UHFFFAOYSA-N -1 0 371.414 2.870 20 30 FFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000810771211 994925181 /nfs/dbraw/zinc/92/51/81/994925181.db2.gz IBOSWZZLOISMKF-UHFFFAOYSA-N -1 0 372.377 2.717 20 30 FFEDRM C[C@@H](Nc1ccc(OCCC(=O)[O-])cc1)C(=O)NC1(C#N)CCCCC1 ZINC001593365889 995045662 /nfs/dbraw/zinc/04/56/62/995045662.db2.gz NMUYJDRTUKNWDW-CQSZACIVSA-N -1 0 359.426 2.683 20 30 FFEDRM COC(=O)[C@H](C)Oc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC001598691573 995074390 /nfs/dbraw/zinc/07/43/90/995074390.db2.gz YQDDIWIFIAPRDT-GTNSWQLSSA-N -1 0 372.352 2.875 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)C(C)(C)C(=O)[O-] ZINC001593491769 995467883 /nfs/dbraw/zinc/46/78/83/995467883.db2.gz XEUYDXBLWBMREQ-DOMZBBRYSA-N -1 0 361.394 2.573 20 30 FFEDRM C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)C(=O)[O-] ZINC001593591477 995715507 /nfs/dbraw/zinc/71/55/07/995715507.db2.gz HPQOMUMWKIZCKC-NSHDSACASA-N -1 0 355.371 2.908 20 30 FFEDRM C[C@@H](ON=C(c1ccccc1)C(F)(F)F)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593611938 995811192 /nfs/dbraw/zinc/81/11/92/995811192.db2.gz ZPIQZECIXZINMG-LLVKDONJSA-N -1 0 372.343 2.681 20 30 FFEDRM C[C@@H](Oc1ccc(C=O)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001593615561 995834930 /nfs/dbraw/zinc/83/49/30/995834930.db2.gz KRNZZVOUCJBFJG-PXAZEXFGSA-N -1 0 353.330 2.507 20 30 FFEDRM COC(=O)c1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)o1 ZINC000728156927 996152318 /nfs/dbraw/zinc/15/23/18/996152318.db2.gz OMOUKDHZGJFAFH-RAXLEYEMSA-N -1 0 351.314 2.809 20 30 FFEDRM C[C@H](c1ccccc1)N(C)C(=O)CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001593704574 996183940 /nfs/dbraw/zinc/18/39/40/996183940.db2.gz BGYRIINDVYLVSZ-QRWLVFNGSA-N -1 0 365.433 2.835 20 30 FFEDRM COc1ccc2[nH]cc(C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)c2c1 ZINC000730361609 997118576 /nfs/dbraw/zinc/11/85/76/997118576.db2.gz RXUPUPQZOQFXIH-CYBMUJFWSA-N -1 0 369.402 2.975 20 30 FFEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccccc1OCC#N ZINC001599398702 997175729 /nfs/dbraw/zinc/17/57/29/997175729.db2.gz LDDUJCJSVLMGRT-VQHVLOKHSA-N -1 0 353.330 2.915 20 30 FFEDRM COc1cc(/C=C\C(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000730434779 997193942 /nfs/dbraw/zinc/19/39/42/997193942.db2.gz SSNRAEAWPKZXPY-PLNGDYQASA-N -1 0 361.306 2.864 20 30 FFEDRM COc1cc(CN(CC(=O)[O-])c2nc(C#N)c(Cl)s2)cc(OC)c1 ZINC001599406606 997317260 /nfs/dbraw/zinc/31/72/60/997317260.db2.gz IPBNWJOVCZGZNE-UHFFFAOYSA-N -1 0 367.814 2.777 20 30 FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C#N)cs2)c(OC)c1 ZINC001599514450 997357961 /nfs/dbraw/zinc/35/79/61/997357961.db2.gz UGTVVUOUHRLEDY-CYBMUJFWSA-N -1 0 360.391 2.583 20 30 FFEDRM CC(C)(C)OC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccc1F ZINC000730687941 997416571 /nfs/dbraw/zinc/41/65/71/997416571.db2.gz QQXGZAWCYJSSKI-LBPRGKRZSA-N -1 0 361.373 2.774 20 30 FFEDRM COCC[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC001599218005 997616026 /nfs/dbraw/zinc/61/60/26/997616026.db2.gz XXLCKDVVZZATRL-INIZCTEOSA-N -1 0 370.430 2.929 20 30 FFEDRM COc1cc(NC(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c(F)cc1C#N ZINC001599438263 997887039 /nfs/dbraw/zinc/88/70/39/997887039.db2.gz VGPNWDDOILJRFW-GOSISDBHSA-N -1 0 372.356 2.613 20 30 FFEDRM C[C@@]1(c2ccc(F)cc2)CC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC001594071415 997906227 /nfs/dbraw/zinc/90/62/27/997906227.db2.gz BKXOJFVGRVYPGN-FQEVSTJZSA-N -1 0 366.348 2.612 20 30 FFEDRM COc1cc(C#N)cc(Cl)c1OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001599349309 998065775 /nfs/dbraw/zinc/06/57/75/998065775.db2.gz NXQGBLAGEOLNOR-UHFFFAOYSA-N -1 0 366.801 2.503 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599349901 998074956 /nfs/dbraw/zinc/07/49/56/998074956.db2.gz JZYSWHNLRZMSBH-UHFFFAOYSA-N -1 0 366.782 2.719 20 30 FFEDRM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599257693 998331234 /nfs/dbraw/zinc/33/12/34/998331234.db2.gz RRPKTTCDPSHGJP-DAXSKMNVSA-N -1 0 356.334 2.527 20 30 FFEDRM COc1ccc(C#N)cc1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001599476689 998544028 /nfs/dbraw/zinc/54/40/28/998544028.db2.gz JQLPNHDOUDRJTL-UHFFFAOYSA-N -1 0 371.418 2.866 20 30 FFEDRM N#CC(C(=O)c1cc2c(cn1)OCCO2)=C([O-])c1cc2c(s1)CCCC2 ZINC000845833652 998669335 /nfs/dbraw/zinc/66/93/35/998669335.db2.gz MIILIMQJKPCPFA-LBPRGKRZSA-N -1 0 368.414 2.998 20 30 FFEDRM CNC(=O)c1ccc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)cn1 ZINC000845837168 998671013 /nfs/dbraw/zinc/67/10/13/998671013.db2.gz GBSBCBOBQGCUHC-ZDUSSCGKSA-N -1 0 367.430 2.587 20 30 FFEDRM O=C([O-])COc1cccc(C=NN2C(=S)N=NC2c2ccccc2F)c1 ZINC000733202059 998909520 /nfs/dbraw/zinc/90/95/20/998909520.db2.gz UPBZLTGONKGSTG-UHFFFAOYSA-N -1 0 372.381 2.719 20 30 FFEDRM N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2O)c(F)c1 ZINC001085178848 999073141 /nfs/dbraw/zinc/07/31/41/999073141.db2.gz YLESFHJUICKKFP-IAGOWNOFSA-N -1 0 368.412 2.629 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC000734293896 999257927 /nfs/dbraw/zinc/25/79/27/999257927.db2.gz SDOYYKIBLRDHDF-HNNXBMFYSA-N -1 0 368.458 2.867 20 30 FFEDRM COc1ccc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)cc1CC(=O)[O-] ZINC000736433319 999555008 /nfs/dbraw/zinc/55/50/08/999555008.db2.gz RHGXNEJPJFFFBG-PLNGDYQASA-N -1 0 361.357 2.738 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](O)[C@@H](C)c2ccc(C)cc2)n1 ZINC000745758873 999929660 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ZINC001588490689 1080051824 /nfs/dbraw/zinc/05/18/24/1080051824.db2.gz VOBCEHLDNOEZQC-NEPJUHHUSA-N -1 0 368.227 2.602 20 30 FFEDRM C#C[C@H]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001588511529 1080064578 /nfs/dbraw/zinc/06/45/78/1080064578.db2.gz ZGKNXKARSRALKC-MGCOHNPYSA-N -1 0 359.806 2.648 20 30 FFEDRM C#Cc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001588522175 1080075493 /nfs/dbraw/zinc/07/54/93/1080075493.db2.gz GFNVFFICQIVDDF-UHFFFAOYSA-N -1 0 353.334 2.904 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)[O-] ZINC001588540514 1080087674 /nfs/dbraw/zinc/08/76/74/1080087674.db2.gz IDCYTECURXJPHU-CHWSQXEVSA-N -1 0 356.463 2.852 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC001588555403 1080093627 /nfs/dbraw/zinc/09/36/27/1080093627.db2.gz HWBHYOYSROXFAI-SNVBAGLBSA-N -1 0 368.238 2.700 20 30 FFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)C(=O)[O-] ZINC001588555568 1080093731 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355.398 2.533 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(C(F)(F)F)[nH]2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588578668 1080106222 /nfs/dbraw/zinc/10/62/22/1080106222.db2.gz MMILSRZHZFSVFD-SNVBAGLBSA-N -1 0 369.347 2.779 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001588578321 1080106387 /nfs/dbraw/zinc/10/63/87/1080106387.db2.gz CUDGSHHEUMLOHX-INIZCTEOSA-N -1 0 356.426 2.510 20 30 FFEDRM C=CCC[C@H](OC(=O)c1ccn(-c2cccc(-c3nn[nH]n3)c2)n1)C1CC1 ZINC001588579470 1080107472 /nfs/dbraw/zinc/10/74/72/1080107472.db2.gz NCWBKIFSPWSVSL-KRWDZBQOSA-N -1 0 364.409 2.954 20 30 FFEDRM C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001588582099 1080107605 /nfs/dbraw/zinc/10/76/05/1080107605.db2.gz GXBBVSCBVWDSAV-CABCVRRESA-N -1 0 369.473 2.515 20 30 FFEDRM C=C(C)Cn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588590076 1080113830 /nfs/dbraw/zinc/11/38/30/1080113830.db2.gz YDIOPLFCTFRNPX-OWCLPIDISA-N -1 0 364.490 2.810 20 30 FFEDRM C=C(C)Cn1c([C@@H]2CCCC[C@@H]2O)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588591143 1080114607 /nfs/dbraw/zinc/11/46/07/1080114607.db2.gz GKWPACVCKCRGSX-QOIOWGMHSA-N -1 0 374.485 2.564 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC001588612101 1080121491 /nfs/dbraw/zinc/12/14/91/1080121491.db2.gz IQUWDIHVCWOCQQ-UHFFFAOYSA-N -1 0 372.465 2.951 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001588614379 1080122729 /nfs/dbraw/zinc/12/27/29/1080122729.db2.gz SPQNHZOPOXNXQQ-GXTWGEPZSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001588615510 1080123935 /nfs/dbraw/zinc/12/39/35/1080123935.db2.gz WYASRCPLSGESOE-HOCLYGCPSA-N -1 0 366.458 2.657 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC001588622914 1080124803 /nfs/dbraw/zinc/12/48/03/1080124803.db2.gz GKACZGPGQVPLPH-CYBMUJFWSA-N -1 0 367.243 2.565 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC001588634343 1080129498 /nfs/dbraw/zinc/12/94/98/1080129498.db2.gz UPCUSOJIUJYMNO-UHFFFAOYSA-N -1 0 370.377 2.750 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588641855 1080134544 /nfs/dbraw/zinc/13/45/44/1080134544.db2.gz KCYJJYOZMLKGEV-UHTWSYAYSA-N -1 0 374.865 2.592 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588641854 1080134631 /nfs/dbraw/zinc/13/46/31/1080134631.db2.gz KCYJJYOZMLKGEV-CYZMBNFOSA-N -1 0 374.865 2.592 20 30 FFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)/C=C\C(=O)[O-])s1 ZINC001588643158 1080136045 /nfs/dbraw/zinc/13/60/45/1080136045.db2.gz ADJIQMKDYFFQNN-XRVBUDJMSA-N -1 0 360.888 2.984 20 30 FFEDRM C=CC(C)(C)CCCNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC001588673245 1080149522 /nfs/dbraw/zinc/14/95/22/1080149522.db2.gz NRRCWQWZOQBKOQ-UHFFFAOYSA-N -1 0 354.353 2.710 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1sccc1C(=O)[O-] ZINC001588706845 1080163905 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354.406 2.935 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cccc3c2OCO3)o1 ZINC001588781631 1080193883 /nfs/dbraw/zinc/19/38/83/1080193883.db2.gz HGDCISNNXPKJRT-UHFFFAOYSA-N -1 0 369.385 2.618 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCCN1c1ncnc2sccc21)C(=O)[O-] ZINC001588789346 1080196448 /nfs/dbraw/zinc/19/64/48/1080196448.db2.gz BHMYADBPSCOAHR-ZIAGYGMSSA-N -1 0 374.466 2.586 20 30 FFEDRM C=CCCC[C@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588789875 1080196802 /nfs/dbraw/zinc/19/68/02/1080196802.db2.gz LTSSMNHVCYXIEC-HOTGVXAUSA-N -1 0 366.845 2.833 20 30 FFEDRM C=CCCC[C@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)C(=O)[O-] ZINC001588794039 1080199712 /nfs/dbraw/zinc/19/97/12/1080199712.db2.gz JUKRCGHVFANFFO-LBPRGKRZSA-N -1 0 369.343 2.981 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1c(Br)nc2n1CCCC2)C(=O)[O-] ZINC001588794531 1080199891 /nfs/dbraw/zinc/19/98/91/1080199891.db2.gz XXFRSMITYUWJDD-JTQLQIEISA-N -1 0 370.247 2.521 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)(F)F)C(=O)[O-] 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COc1ccc(-c2nnc(S(=O)(=O)Cc3ccc(CC#N)cc3)[n-]2)cc1 ZINC000571849486 519305903 /nfs/dbraw/zinc/30/59/03/519305903.db2.gz RUPDWLLITSSVFR-UHFFFAOYSA-N -1 0 368.418 2.520 20 30 FFEDRM CN([C@H](C(=O)[O-])c1ccccc1Cl)S(=O)(=O)c1ccc(C#N)s1 ZINC000574747893 519312106 /nfs/dbraw/zinc/31/21/06/519312106.db2.gz ADXLCHRCXAUQNY-ZDUSSCGKSA-N -1 0 370.839 2.720 20 30 FFEDRM N#Cc1nc(NC(=O)c2ccnc(Oc3ccc(F)cc3F)c2)[n-]c1C#N ZINC000571866173 519317038 /nfs/dbraw/zinc/31/70/38/519317038.db2.gz RQKHHKVTJBWJTO-UHFFFAOYSA-N -1 0 366.287 2.871 20 30 FFEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1ccncc1C#N ZINC000580814820 519372205 /nfs/dbraw/zinc/37/22/05/519372205.db2.gz BHDDROMCGZAXTD-SFHVURJKSA-N -1 0 361.449 2.910 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000583695570 519385063 /nfs/dbraw/zinc/38/50/63/519385063.db2.gz MLFLAGJHPWEDFR-GFCCVEGCSA-N -1 0 365.389 2.613 20 30 FFEDRM COc1cccc(-c2n[n-]c(=NCc3ccc(C#N)cc3F)o2)c1OC ZINC000574961898 519424336 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2.540 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[n-]1 ZINC000602887234 519950571 /nfs/dbraw/zinc/95/05/71/519950571.db2.gz NMWBOVYBGBCEOX-GFCCVEGCSA-N -1 0 368.828 2.527 20 30 FFEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H](C#N)CC ZINC000594418117 519954444 /nfs/dbraw/zinc/95/44/44/519954444.db2.gz YFWCBEHGWKHUHE-WBVHZDCISA-N -1 0 354.454 2.776 20 30 FFEDRM Cc1ccc([C@H]([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)C(F)(F)F)o1 ZINC000594481183 519989885 /nfs/dbraw/zinc/98/98/85/519989885.db2.gz HFARUQOAWHZGCH-ZDUSSCGKSA-N -1 0 359.329 2.745 20 30 FFEDRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1)C(=O)[O-] ZINC000594574082 520034610 /nfs/dbraw/zinc/03/46/10/520034610.db2.gz UWMYNCGYMXHRPG-NEPJUHHUSA-N -1 0 370.858 2.723 20 30 FFEDRM CCN(CC)Cc1csc([N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000594582113 520036883 /nfs/dbraw/zinc/03/68/83/520036883.db2.gz KKCOURDBAXJOSD-UHFFFAOYSA-N -1 0 350.469 2.657 20 30 FFEDRM CN(C(=O)N=c1[n-]nc(C(F)(F)C(F)(F)F)s1)[C@@H]1CCC[C@@H]1C#N ZINC000603067319 520061567 /nfs/dbraw/zinc/06/15/67/520061567.db2.gz TTZSDJJQAVDWSG-RNFRBKRXSA-N -1 0 369.319 2.770 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000594671584 520077168 /nfs/dbraw/zinc/07/71/68/520077168.db2.gz XAAHNWUQCNPDIQ-LBPRGKRZSA-N -1 0 364.448 2.567 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCC[C@@H](C)C(=O)[O-] ZINC000594671568 520077660 /nfs/dbraw/zinc/07/76/60/520077660.db2.gz WJBZGLMUJWJLDL-SNVBAGLBSA-N -1 0 366.464 2.861 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1 ZINC000594681387 520082909 /nfs/dbraw/zinc/08/29/09/520082909.db2.gz NVGGWNCJXKTQCW-JTQLQIEISA-N -1 0 364.448 2.613 20 30 FFEDRM COc1ccc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])cc1F ZINC000594690472 520088620 /nfs/dbraw/zinc/08/86/20/520088620.db2.gz JADNISFSEVGCBS-OAHLLOKOSA-N -1 0 363.389 2.733 20 30 FFEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000612735271 520116408 /nfs/dbraw/zinc/11/64/08/520116408.db2.gz AQXJJMWPQMCKLN-UHFFFAOYSA-N -1 0 367.745 2.586 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000608851962 520145527 /nfs/dbraw/zinc/14/55/27/520145527.db2.gz JZWJMCDXZDFOQI-UHFFFAOYSA-N -1 0 358.379 2.602 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000600512832 520300256 /nfs/dbraw/zinc/30/02/56/520300256.db2.gz FZVFRKRRIIVKRX-LBPRGKRZSA-N -1 0 356.451 2.543 20 30 FFEDRM CCc1n[n-]c(=NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s1 ZINC000609496364 520333852 /nfs/dbraw/zinc/33/38/52/520333852.db2.gz ONCHVTVTONVNKG-UHFFFAOYSA-N -1 0 351.391 2.834 20 30 FFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1OC ZINC000592385216 520362749 /nfs/dbraw/zinc/36/27/49/520362749.db2.gz TVPXVCYAKIGLCU-UHFFFAOYSA-N -1 0 362.455 2.882 20 30 FFEDRM C[C@@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3ccsc3C#N)cc21 ZINC000600664950 520383186 /nfs/dbraw/zinc/38/31/86/520383186.db2.gz KGBNKBGEFMTCGU-SNVBAGLBSA-N -1 0 361.448 2.891 20 30 FFEDRM C[C@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc21 ZINC000600664621 520384091 /nfs/dbraw/zinc/38/40/91/520384091.db2.gz DRKYAVHKTFVFON-JTQLQIEISA-N -1 0 361.448 2.891 20 30 FFEDRM COC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1cccc(OC)c1 ZINC000598064238 520406973 /nfs/dbraw/zinc/40/69/73/520406973.db2.gz PAORMLBSBDGYOB-OAHLLOKOSA-N -1 0 373.434 2.507 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3c(CC#N)cccc3C2)cc1C#N ZINC000600784856 520467956 /nfs/dbraw/zinc/46/79/56/520467956.db2.gz LUVLEQKSQXKBMN-UHFFFAOYSA-N -1 0 364.430 2.645 20 30 FFEDRM N#CCc1cccc(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000600873979 520506857 /nfs/dbraw/zinc/50/68/57/520506857.db2.gz JMAAKGFHMRAGFW-UHFFFAOYSA-N -1 0 355.419 2.927 20 30 FFEDRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000610156809 520563535 /nfs/dbraw/zinc/56/35/35/520563535.db2.gz VBXLOECXVRAEIL-UHFFFAOYSA-N -1 0 374.378 2.534 20 30 FFEDRM CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000610336336 520640352 /nfs/dbraw/zinc/64/03/52/520640352.db2.gz ZJYACDFSGBYLSJ-UHFFFAOYSA-N -1 0 373.434 2.638 20 30 FFEDRM N#CCN1CCC(N=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000610515201 520723846 /nfs/dbraw/zinc/72/38/46/520723846.db2.gz AZATUXJOSQHKIC-UHFFFAOYSA-N -1 0 352.225 2.865 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)NCC2(Sc3ccccc3)CCCC2)[n-]1 ZINC000610565146 520740247 /nfs/dbraw/zinc/74/02/47/520740247.db2.gz QBVGTXSINKLHRH-UHFFFAOYSA-N -1 0 355.467 2.940 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)NC(C)(C)c2ccc(Br)cc2)[n-]1 ZINC000610561955 520740783 /nfs/dbraw/zinc/74/07/83/520740783.db2.gz GQLQISSIQMXRGB-UHFFFAOYSA-N -1 0 362.231 2.533 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)NCc2ccccc2Oc2cccc(F)c2)[n-]1 ZINC000610565469 520741891 /nfs/dbraw/zinc/74/18/91/520741891.db2.gz WVTJQJLEZDGEEY-UHFFFAOYSA-N -1 0 365.368 2.967 20 30 FFEDRM COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n[nH]1 ZINC000610663013 520785246 /nfs/dbraw/zinc/78/52/46/520785246.db2.gz VXIXFHVODKJUHC-UHFFFAOYSA-N -1 0 372.381 2.897 20 30 FFEDRM COCCCn1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593203009 520822550 /nfs/dbraw/zinc/82/25/50/520822550.db2.gz CVNVPMNDITXIMO-UHFFFAOYSA-N -1 0 362.455 2.522 20 30 FFEDRM COc1cc(F)ccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000596043868 520873707 /nfs/dbraw/zinc/87/37/07/520873707.db2.gz FYEVZGYPONEBNY-UHFFFAOYSA-N -1 0 365.386 2.713 20 30 FFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000614274065 520887486 /nfs/dbraw/zinc/88/74/86/520887486.db2.gz MICJAUQPDQFTNY-HNNXBMFYSA-N -1 0 352.350 2.780 20 30 FFEDRM Cc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000614321075 520907528 /nfs/dbraw/zinc/90/75/28/520907528.db2.gz VDBCSOYITJYHAJ-HNNXBMFYSA-N -1 0 362.382 2.500 20 30 FFEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000614374938 520931662 /nfs/dbraw/zinc/93/16/62/520931662.db2.gz IXGWUIUPKXPSIR-PIGZYNQJSA-N -1 0 363.364 2.567 20 30 FFEDRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000618378202 521039921 /nfs/dbraw/zinc/03/99/21/521039921.db2.gz AWASLFDBIUYUBV-CYBMUJFWSA-N -1 0 351.332 2.837 20 30 FFEDRM COc1cc(CNC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)ccc1C#N ZINC000601993703 521065288 /nfs/dbraw/zinc/06/52/88/521065288.db2.gz NIIFRQXHIDBHOY-SFHVURJKSA-N -1 0 358.419 2.677 20 30 FFEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618631243 521153522 /nfs/dbraw/zinc/15/35/22/521153522.db2.gz KGJLYWCAWFUTJL-MRXNPFEDSA-N -1 0 356.403 2.531 20 30 FFEDRM N#CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)C1 ZINC000596729943 521249950 /nfs/dbraw/zinc/24/99/50/521249950.db2.gz AMTMRTAYEDHPAJ-ZDUSSCGKSA-N -1 0 359.430 2.847 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000593920551 521294400 /nfs/dbraw/zinc/29/44/00/521294400.db2.gz AJBPTRUOJJYZOI-RZAIGCCYSA-N -1 0 350.374 2.755 20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c(F)c1 ZINC000612172715 521519048 /nfs/dbraw/zinc/51/90/48/521519048.db2.gz GJQTUDFDVJPTCS-GFCCVEGCSA-N -1 0 372.299 2.527 20 30 FFEDRM N#CCc1cccc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)c1 ZINC000619470970 521585177 /nfs/dbraw/zinc/58/51/77/521585177.db2.gz ZGAHRUKNHYKJDV-UHFFFAOYSA-N -1 0 356.403 2.592 20 30 FFEDRM N#Cc1ccc(CNC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1Cl ZINC000619798360 521877497 /nfs/dbraw/zinc/87/74/97/521877497.db2.gz YLEXAHMOLXHLGY-UHFFFAOYSA-N -1 0 355.707 2.764 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC000630319613 522788837 /nfs/dbraw/zinc/78/88/37/522788837.db2.gz DFMDMDSEILRNHZ-OAHLLOKOSA-N -1 0 362.426 2.951 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)C(=O)[O-] ZINC000630318998 522788878 /nfs/dbraw/zinc/78/88/78/522788878.db2.gz PSRFAMQILINZAM-SNVBAGLBSA-N -1 0 372.215 2.616 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C(=O)[O-] ZINC000630325362 522791607 /nfs/dbraw/zinc/79/16/07/522791607.db2.gz JERNIRVAZPPHLM-AWEZNQCLSA-N -1 0 357.385 2.649 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000630325734 522791971 /nfs/dbraw/zinc/79/19/71/522791971.db2.gz KTDLACHBNYWQOD-BXKDBHETSA-N -1 0 373.236 2.647 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1nc(CC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000630327287 522793512 /nfs/dbraw/zinc/79/35/12/522793512.db2.gz YZULUTPLCNRESE-LBPRGKRZSA-N -1 0 362.817 2.632 20 30 FFEDRM C=CCN=c1[n-]nc(S(=O)(=O)Cc2csc(CCCC)n2)s1 ZINC000479009576 561179635 /nfs/dbraw/zinc/17/96/35/561179635.db2.gz AXLKXFVXLHBXJN-UHFFFAOYSA-N -1 0 358.514 2.909 20 30 FFEDRM Cn1cc(Br)c(=NC(=O)N(CCC#N)Cc2ccccn2)[nH]1 ZINC000603041457 553699556 /nfs/dbraw/zinc/69/95/56/553699556.db2.gz CKOBZIVGCDNPIO-UHFFFAOYSA-N -1 0 363.219 2.525 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)c1C#N ZINC000508746685 561771442 /nfs/dbraw/zinc/77/14/42/561771442.db2.gz JATNYQOHENLYBB-MRVPVSSYSA-N -1 0 366.208 2.654 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N=c1nc2nc(C)cc(C)n2[n-]1 ZINC000510583565 561839571 /nfs/dbraw/zinc/83/95/71/561839571.db2.gz IQPZYEJSKDMQNP-UHFFFAOYSA-N -1 0 361.409 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ZINC000833072949 601627088 /nfs/dbraw/zinc/62/70/88/601627088.db2.gz AUTRAJHICOLUEH-UHFFFAOYSA-N -1 0 357.360 2.857 20 30 FFEDRM Cc1cccc(C[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])c1 ZINC000832970845 601680320 /nfs/dbraw/zinc/68/03/20/601680320.db2.gz ZDHLXUKRDLOMQO-AWEZNQCLSA-N -1 0 358.344 2.818 20 30 FFEDRM C[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1C(=O)[O-] ZINC000828404163 601692760 /nfs/dbraw/zinc/69/27/60/601692760.db2.gz ZDZDZDBJFBDEDS-AUUYWEPGSA-N -1 0 364.401 2.930 20 30 FFEDRM C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000828410748 601698152 /nfs/dbraw/zinc/69/81/52/601698152.db2.gz CDXGEFSXERTCOE-MLGOLLRUSA-N -1 0 354.362 2.523 20 30 FFEDRM Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2c[nH]c(C(=O)[O-])c2)c1 ZINC000814780925 601796732 /nfs/dbraw/zinc/79/67/32/601796732.db2.gz NFWNZYKAYXSDFU-UHFFFAOYSA-N -1 0 371.422 2.671 20 30 FFEDRM C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000825682262 601836970 /nfs/dbraw/zinc/83/69/70/601836970.db2.gz VPLBUCLIUAXMGG-UHFFFAOYSA-N -1 0 357.737 2.777 20 30 FFEDRM O=C(C=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400456 607529673 /nfs/dbraw/zinc/52/96/73/607529673.db2.gz ZKLSNXOKLDHKFJ-HWKANZROSA-N -1 0 355.285 2.516 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)c1C#N ZINC000740020512 601866236 /nfs/dbraw/zinc/86/62/36/601866236.db2.gz LUJOCNZNAFJXBC-NSHDSACASA-N -1 0 374.466 2.672 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833016216 601916042 /nfs/dbraw/zinc/91/60/42/601916042.db2.gz RBVIAEMKBCXJRU-ZWKOTPCHSA-N -1 0 374.485 2.886 20 30 FFEDRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000739312539 601945500 /nfs/dbraw/zinc/94/55/00/601945500.db2.gz OMGVZAJSZXJUSU-RYUDHWBXSA-N -1 0 354.204 2.566 20 30 FFEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](N(C)C(=O)[O-])C2)c1C ZINC000740169582 601968753 /nfs/dbraw/zinc/96/87/53/601968753.db2.gz MJCIQXMKTINOLV-KRWDZBQOSA-N -1 0 372.469 2.624 20 30 FFEDRM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739853005 601992598 /nfs/dbraw/zinc/99/25/98/601992598.db2.gz PJCQAKLKNYXAOS-UHFFFAOYSA-N -1 0 370.365 2.849 20 30 FFEDRM CCN1C(=O)C(=NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c2ccccc21 ZINC000794871041 602068272 /nfs/dbraw/zinc/06/82/72/602068272.db2.gz DNBWANBGHXNPEN-ZDUSSCGKSA-N -1 0 365.389 2.728 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)COC/C=C\c2ccccc2)C(=O)[O-])cc1 ZINC000833072764 602107150 /nfs/dbraw/zinc/10/71/50/602107150.db2.gz PZNSRAVQKRDGNM-OCTSTCLRSA-N -1 0 351.358 2.957 20 30 FFEDRM CCN(C[C@@H](C)C#N)C(=O)CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829641887 602113927 /nfs/dbraw/zinc/11/39/27/602113927.db2.gz CMXMNIKQHNVYRZ-AWEZNQCLSA-N -1 0 369.421 2.723 20 30 FFEDRM C=CCn1c(-c2cccs2)nn(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S ZINC000825705893 602196266 /nfs/dbraw/zinc/19/62/66/602196266.db2.gz VCXKBBAEILBKEQ-HNNXBMFYSA-N -1 0 368.459 2.785 20 30 FFEDRM C=CCn1c(-c2cccs2)nn(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825705845 602197900 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C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739028341 602469551 /nfs/dbraw/zinc/46/95/51/602469551.db2.gz VSCYYGKXEICIFG-UKRRQHHQSA-N -1 0 354.410 2.673 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000739053126 602482312 /nfs/dbraw/zinc/48/23/12/602482312.db2.gz WLKOMBYBBJZEGA-SUMWQHHRSA-N -1 0 359.426 2.658 20 30 FFEDRM C[C@@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C(=O)NC1(C#N)CCCCC1 ZINC000739037146 602570339 /nfs/dbraw/zinc/57/03/39/602570339.db2.gz QKZRXGVJOMZIRY-CQSZACIVSA-N -1 0 370.453 2.866 20 30 FFEDRM CN(C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1)C(=O)[O-] ZINC000739647968 602596470 /nfs/dbraw/zinc/59/64/70/602596470.db2.gz CRUIWEJPCLECQY-LLVKDONJSA-N -1 0 368.340 2.623 20 30 FFEDRM O=C([O-])N(CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000740440021 602607277 /nfs/dbraw/zinc/60/72/77/602607277.db2.gz OWVVGFUYZBTIEF-UHFFFAOYSA-N -1 0 364.405 2.745 20 30 FFEDRM N#CCn1c(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc2ccccc21 ZINC000740310075 602671413 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N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000740310563 603125070 /nfs/dbraw/zinc/12/50/70/603125070.db2.gz MQNDAOVXQJQWQK-OLZOCXBDSA-N -1 0 352.774 2.722 20 30 FFEDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000740568223 603164015 /nfs/dbraw/zinc/16/40/15/603164015.db2.gz NAVCSSVEZGVLRJ-HIFRSBDPSA-N -1 0 368.355 3.000 20 30 FFEDRM CCc1c(C)sc(NC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)c1C#N ZINC000739535459 603175296 /nfs/dbraw/zinc/17/52/96/603175296.db2.gz FLSXMQZYZQWOTE-UHFFFAOYSA-N -1 0 364.471 2.503 20 30 FFEDRM N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740319303 603194870 /nfs/dbraw/zinc/19/48/70/603194870.db2.gz NLFHHMMRQSZFDA-HZPDHXFCSA-N -1 0 371.437 2.754 20 30 FFEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740091403 603219311 /nfs/dbraw/zinc/21/93/11/603219311.db2.gz NLXPVLZLBDZHBD-CQSZACIVSA-N -1 0 366.377 2.992 20 30 FFEDRM C#CCOc1ccc(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000823466838 603314467 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FFEDRM Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000064696662 728152287 /nfs/dbraw/zinc/15/22/87/728152287.db2.gz BFINIBNPVWGDEV-UHFFFAOYSA-N -1 0 373.749 2.663 20 30 FFEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)COc1ccc(Cl)c(C)c1 ZINC000069573590 728199142 /nfs/dbraw/zinc/19/91/42/728199142.db2.gz XBKJTNYXXVYIOV-UHFFFAOYSA-N -1 0 371.846 2.723 20 30 FFEDRM O=C([N-]S(=O)(=O)N1CCCc2ccccc21)[C@@H]1COc2ccccc21 ZINC000073290580 728219521 /nfs/dbraw/zinc/21/95/21/728219521.db2.gz NTIDFEKKZNVYAV-OAHLLOKOSA-N -1 0 358.419 2.817 20 30 FFEDRM O=C(CCn1ccccc1=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000075777941 728251864 /nfs/dbraw/zinc/25/18/64/728251864.db2.gz RYIAMUIXQIFXBL-UHFFFAOYSA-N -1 0 356.403 2.737 20 30 FFEDRM CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000076766794 728266713 /nfs/dbraw/zinc/26/67/13/728266713.db2.gz ROVKTNVHUPQBNU-UHFFFAOYSA-N -1 0 366.361 2.657 20 30 FFEDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)s1 ZINC000076905124 728268530 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CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000064478968 507798344 /nfs/dbraw/zinc/79/83/44/507798344.db2.gz VFQISVGUQOGFJI-UHFFFAOYSA-N -1 0 361.379 2.838 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(NC(C)=O)c2C)cc1C#N ZINC000031907694 507822344 /nfs/dbraw/zinc/82/23/44/507822344.db2.gz MXUMIRYNEPEMKD-UHFFFAOYSA-N -1 0 356.407 2.900 20 30 FFEDRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000073087457 507892738 /nfs/dbraw/zinc/89/27/38/507892738.db2.gz BJFWWDVUXOIEAH-MRXNPFEDSA-N -1 0 364.467 2.612 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H](C)Oc2ccc(F)cc2)cc1C#N ZINC000075164107 508087372 /nfs/dbraw/zinc/08/73/72/508087372.db2.gz JJJPCFXTKWJSLY-JTQLQIEISA-N -1 0 361.398 2.717 20 30 FFEDRM Cn1cc(-c2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)s2)cn1 ZINC000112222401 508162368 /nfs/dbraw/zinc/16/23/68/508162368.db2.gz CPCIYRBTZKOGAY-LBPRGKRZSA-N -1 0 362.418 2.920 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1C#N ZINC000114539607 508325328 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CSc1[n-]c(=O)c(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1C#N ZINC000134216743 508509543 /nfs/dbraw/zinc/50/95/43/508509543.db2.gz WNLBVGURKMGPQH-UHFFFAOYSA-N -1 0 369.324 2.945 20 30 FFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)cc1Cl ZINC000152771499 508513293 /nfs/dbraw/zinc/51/32/93/508513293.db2.gz YJKVDFVBLYTZOY-UHFFFAOYSA-N -1 0 366.830 2.560 20 30 FFEDRM CC(C)(C)c1[n-]n(CC(=O)Nc2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000153454904 508584535 /nfs/dbraw/zinc/58/45/35/508584535.db2.gz GFXVCJHGSQLAJS-UHFFFAOYSA-N -1 0 351.410 2.853 20 30 FFEDRM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128396506 508587222 /nfs/dbraw/zinc/58/72/22/508587222.db2.gz OJZHEDJPVKRACO-UHFFFAOYSA-N -1 0 366.345 2.814 20 30 FFEDRM Cc1cc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)cc3F)o2)c(C)o1 ZINC000153643272 508615578 /nfs/dbraw/zinc/61/55/78/508615578.db2.gz RCXHBJNSHXSDOH-UHFFFAOYSA-N -1 0 362.342 2.758 20 30 FFEDRM COc1cccc(-c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)n(C)n2)c1 ZINC000136000095 508663923 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599993562 /nfs/dbraw/zinc/99/35/62/599993562.db2.gz VJHFYTRKYNRNJN-MRXNPFEDSA-N -1 0 370.405 2.718 20 30 FFEDRM Cc1ccc(C2=C(C(=O)C(=O)[O-])[C@H](c3ccc(F)cc3)NC(=S)N2)cc1 ZINC000738584219 599993593 /nfs/dbraw/zinc/99/35/93/599993593.db2.gz VXBBKGXCYUWMQJ-INIZCTEOSA-N -1 0 370.405 2.718 20 30 FFEDRM Cc1oc(NC(=O)COC(=O)c2cccc(NC(=O)[O-])c2)c(C#N)c1C ZINC000738976033 599999063 /nfs/dbraw/zinc/99/90/63/599999063.db2.gz QCQBICRDIDZSMP-UHFFFAOYSA-N -1 0 357.322 2.654 20 30 FFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2OCC#N)cc1 ZINC000737958148 600012837 /nfs/dbraw/zinc/01/28/37/600012837.db2.gz XHOLJFZYCNXACH-INIZCTEOSA-N -1 0 354.362 2.543 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738921630 600027209 /nfs/dbraw/zinc/02/72/09/600027209.db2.gz NCUUJLBCATVFDZ-UHFFFAOYSA-N -1 0 355.394 2.579 20 30 FFEDRM C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736106204 600036103 /nfs/dbraw/zinc/03/61/03/600036103.db2.gz TZDWUGDSOCGVKU-UHFFFAOYSA-N -1 0 352.390 2.872 20 30 FFEDRM C=CCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1cccs1 ZINC000736108099 600048941 /nfs/dbraw/zinc/04/89/41/600048941.db2.gz JUFUPEVKHMHMFT-GOSISDBHSA-N -1 0 370.474 2.774 20 30 FFEDRM COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738138385 600056754 /nfs/dbraw/zinc/05/67/54/600056754.db2.gz VJWMRRCWECWRCC-ZDUSSCGKSA-N -1 0 353.334 2.746 20 30 FFEDRM CSc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)CCCCC#N)cc1 ZINC000738202999 600083458 /nfs/dbraw/zinc/08/34/58/600083458.db2.gz LYTRUTMOTLDSLO-AWEZNQCLSA-N -1 0 356.469 2.538 20 30 FFEDRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1C#N ZINC000736693569 600092673 /nfs/dbraw/zinc/09/26/73/600092673.db2.gz PXVRQNJNAJMSSE-ZDUSSCGKSA-N -1 0 366.373 2.759 20 30 FFEDRM COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738106935 600099574 /nfs/dbraw/zinc/09/95/74/600099574.db2.gz QPYQOWXSHUMGFR-QGZVFWFLSA-N -1 0 366.373 2.674 20 30 FFEDRM COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738106932 600099721 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600352446 /nfs/dbraw/zinc/35/24/46/600352446.db2.gz QCFJIBDIEGDTOD-GPANFISMSA-N -1 0 359.426 2.810 20 30 FFEDRM N#Cc1ccc(SCC(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000739131765 600537318 /nfs/dbraw/zinc/53/73/18/600537318.db2.gz FHISQIRPBYLPIG-UHFFFAOYSA-N -1 0 362.436 2.548 20 30 FFEDRM N#Cc1ccc([C@@H](N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C(=O)[O-])cc1 ZINC000739108680 600599402 /nfs/dbraw/zinc/59/94/02/600599402.db2.gz WGRQOPPVFHPCLN-IAGOWNOFSA-N -1 0 369.808 2.732 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(Cn3cccn3)cc2)C(=O)[O-])cc1 ZINC000739115565 600607151 /nfs/dbraw/zinc/60/71/51/600607151.db2.gz SXKFOFVRHYYODX-GOSISDBHSA-N -1 0 361.357 2.786 20 30 FFEDRM CC(C)(C)c1noc(CCCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000736306215 600611775 /nfs/dbraw/zinc/61/17/75/600611775.db2.gz CUHPXNSHOYJHNR-INIZCTEOSA-N -1 0 371.393 2.931 20 30 FFEDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736702951 600614710 /nfs/dbraw/zinc/61/47/10/600614710.db2.gz HTBDPARUKRAPJC-QLJPJBMISA-N 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ICHWIEUHMVONIC-CYBMUJFWSA-N -1 0 362.503 2.682 20 30 FFEDRM CC(=O)N1CCC(=NNc2ccc(CC(=O)[O-])cc2)c2ccccc2C1 ZINC000848414349 1059967443 /nfs/dbraw/zinc/96/74/43/1059967443.db2.gz MPKRHRVXIKLOCR-UHFFFAOYSA-N -1 0 351.406 2.882 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1C#N ZINC001520704010 1059977590 /nfs/dbraw/zinc/97/75/90/1059977590.db2.gz LPTRGBJRBBLTTA-UHFFFAOYSA-N -1 0 365.418 2.779 20 30 FFEDRM CCC(CC)CN(CC)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1CCOC ZINC001355637974 1060451643 /nfs/dbraw/zinc/45/16/43/1060451643.db2.gz AYCAIFDWCNGGEE-UHFFFAOYSA-N -1 0 372.473 2.826 20 30 FFEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1c1c(F)c(F)nc(F)c1F ZINC001458462653 1060596945 /nfs/dbraw/zinc/59/69/45/1060596945.db2.gz OBJKKKHQHXGSGS-WDSKDSINSA-N -1 0 359.245 2.674 20 30 FFEDRM N#Cc1cccc(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001461025257 1061189666 /nfs/dbraw/zinc/18/96/66/1061189666.db2.gz GXAZRAVNIWFKHS-OAHLLOKOSA-N -1 0 373.334 2.808 20 30 FFEDRM 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C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588445941 1080030219 /nfs/dbraw/zinc/03/02/19/1080030219.db2.gz WJESOLRPMAAHRK-NSHDSACASA-N -1 0 362.854 2.639 20 30 FFEDRM C#CCCCc1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1CC1CC1 ZINC001588446794 1080030226 /nfs/dbraw/zinc/03/02/26/1080030226.db2.gz LLVPEZZMUHRSOK-MRXNPFEDSA-N -1 0 358.486 2.971 20 30 FFEDRM C=CC1(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001588452403 1080031401 /nfs/dbraw/zinc/03/14/01/1080031401.db2.gz ORASJMQTROTUBB-INIZCTEOSA-N -1 0 374.437 2.742 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001588458879 1080033971 /nfs/dbraw/zinc/03/39/71/1080033971.db2.gz WLLHGZBITDKWTC-ILXRZTDVSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588457748 1080034722 /nfs/dbraw/zinc/03/47/22/1080034722.db2.gz BRHPRRLPPANLLZ-HUUCEWRRSA-N -1 0 368.474 2.949 20 30 FFEDRM C#CCN(CC1CC1)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001588468306 1080039050 /nfs/dbraw/zinc/03/90/50/1080039050.db2.gz UXDBUHUPGJHESF-UHFFFAOYSA-N -1 0 369.204 2.502 20 30 FFEDRM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001588478878 1080045131 /nfs/dbraw/zinc/04/51/31/1080045131.db2.gz OCPUGTYVDWIJTN-HNNXBMFYSA-N -1 0 360.410 2.559 20 30 FFEDRM C#CCO[C@@H](C)C(=O)N(c1ccc(Br)cc1C)[C@@H](C)C(=O)[O-] ZINC001588490691 1080052336 /nfs/dbraw/zinc/05/23/36/1080052336.db2.gz VOBCEHLDNOEZQC-RYUDHWBXSA-N -1 0 368.227 2.602 20 30 FFEDRM C#CCOc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001588504528 1080061595 /nfs/dbraw/zinc/06/15/95/1080061595.db2.gz ZOKAFWDEWHWHJM-IBGZPJMESA-N -1 0 353.378 2.605 20 30 FFEDRM C#Cc1ccc(CNC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001588517407 1080069627 /nfs/dbraw/zinc/06/96/27/1080069627.db2.gz RJPLIEDSRUKLDY-UHFFFAOYSA-N -1 0 366.417 2.911 20 30 FFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2c3ccccc3[nH]c2C(=O)[O-])c1 ZINC001588523292 1080076334 /nfs/dbraw/zinc/07/63/34/1080076334.db2.gz 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FFEDRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000325879199 511852258 /nfs/dbraw/zinc/85/22/58/511852258.db2.gz MBRDMJVYWJDQLB-UHFFFAOYSA-N -1 0 366.782 2.719 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1C#N ZINC000326743550 511862548 /nfs/dbraw/zinc/86/25/48/511862548.db2.gz JFVNJZAXAWOOQT-UHFFFAOYSA-N -1 0 357.313 2.961 20 30 FFEDRM CCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000326986161 511867678 /nfs/dbraw/zinc/86/76/78/511867678.db2.gz LPDKHOZGEZIXOZ-UHFFFAOYSA-N -1 0 360.391 2.650 20 30 FFEDRM CC(=O)N1CCC[C@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000328738149 511924638 /nfs/dbraw/zinc/92/46/38/511924638.db2.gz KQBAYBOXJPAEDE-IFXJQAMLSA-N -1 0 372.425 2.501 20 30 FFEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)ccc1C(F)(F)F ZINC000285224727 512044245 /nfs/dbraw/zinc/04/42/45/512044245.db2.gz XUXOAPMYGUUKLV-UHFFFAOYSA-N -1 0 370.356 2.911 20 30 FFEDRM Cc1cc(N=C([O-])[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)cn(C)c1=O ZINC000329661744 512083643 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350.440 2.869 20 30 FFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C ZINC000416949512 514062411 /nfs/dbraw/zinc/06/24/11/514062411.db2.gz DCDIVZLXWYCWHZ-SECBINFHSA-N -1 0 362.205 2.710 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2NC(=O)NC(C)C)cc1C#N ZINC000427119222 514121343 /nfs/dbraw/zinc/12/13/43/514121343.db2.gz GYOKEHDZFGAQPY-UHFFFAOYSA-N -1 0 373.438 2.592 20 30 FFEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000437375257 514149748 /nfs/dbraw/zinc/14/97/48/514149748.db2.gz JFYSOYYQKRRFGM-GFCCVEGCSA-N -1 0 362.370 2.864 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)cc1F ZINC000427206897 514149854 /nfs/dbraw/zinc/14/98/54/514149854.db2.gz VBJFFWYTFYYNID-UHFFFAOYSA-N -1 0 370.409 2.937 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)cc1C#N ZINC000427207698 514150220 /nfs/dbraw/zinc/15/02/20/514150220.db2.gz ZHQMORHGHXPWDY-UHFFFAOYSA-N -1 0 367.434 2.502 20 30 FFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427266643 514166537 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N#Cc1ccc([C@H](OC(=O)Cc2cc3ccccc3[nH]c2=O)C(=O)[O-])cc1 ZINC000739115520 600612642 /nfs/dbraw/zinc/61/26/42/600612642.db2.gz SDBCLGTZZARSNH-SFHVURJKSA-N -1 0 362.341 2.724 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)c2cnn(-c3ccccc3F)c2)C(=O)[O-])cc1 ZINC000739117162 600615290 /nfs/dbraw/zinc/61/52/90/600615290.db2.gz JKZDWMLTOFYONB-KRWDZBQOSA-N -1 0 365.320 2.866 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3c([nH]c2=O)CCCCC3)C(=O)[O-])cc1 ZINC000739114881 600618764 /nfs/dbraw/zinc/61/87/64/600618764.db2.gz LEGPWDGCFJFTQP-QGZVFWFLSA-N -1 0 366.373 2.910 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)CCCc2nc(C3CC3)no2)C(=O)[O-])cc1 ZINC000739111410 600619490 /nfs/dbraw/zinc/61/94/90/600619490.db2.gz VKYFVSCXARZPON-INIZCTEOSA-N -1 0 355.350 2.510 20 30 FFEDRM COC(=O)c1ccc(NCCCOc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000737699181 600682063 /nfs/dbraw/zinc/68/20/63/600682063.db2.gz IQZBWWVZHADEFF-UHFFFAOYSA-N -1 0 354.362 2.924 20 30 FFEDRM CCN(C)[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC000829609137 600682936 /nfs/dbraw/zinc/68/29/36/600682936.db2.gz XQGLNCKMNTYHRZ-ZWKOTPCHSA-N -1 0 352.390 2.920 20 30 FFEDRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000827391700 600712432 /nfs/dbraw/zinc/71/24/32/600712432.db2.gz INLHKNQOGZNMSY-NHYWBVRUSA-N -1 0 362.382 2.530 20 30 FFEDRM C[C@@H](CO)[C@@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736606253 600743130 /nfs/dbraw/zinc/74/31/30/600743130.db2.gz CLEWCVMHLPCBKX-LSDHHAIUSA-N -1 0 366.417 2.923 20 30 FFEDRM N#Cc1ccc([C@@H](Nc2cccc(N3CCCNC3=O)c2)C(=O)[O-])cc1 ZINC000833071410 600758057 /nfs/dbraw/zinc/75/80/57/600758057.db2.gz FTCPMTOWFHYXHV-QGZVFWFLSA-N -1 0 350.378 2.716 20 30 FFEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)cn1 ZINC000736093331 600868277 /nfs/dbraw/zinc/86/82/77/600868277.db2.gz SCPTXHXPLDVASI-UHFFFAOYSA-N -1 0 363.142 2.915 20 30 FFEDRM Cc1nc2nc(S[C@H](C(=O)[O-])c3ccc(C#N)cc3)nn2c(C)c1C ZINC000738881442 600937391 /nfs/dbraw/zinc/93/73/91/600937391.db2.gz JKUNUZGONQOMMC-AWEZNQCLSA-N -1 0 353.407 2.839 20 30 FFEDRM C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000825702658 600950325 /nfs/dbraw/zinc/95/03/25/600950325.db2.gz SCVVSBBYSHUOFF-UHFFFAOYSA-N -1 0 355.346 2.989 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825687798 601027250 /nfs/dbraw/zinc/02/72/50/601027250.db2.gz XJMWCRBSTLJWOV-QGZVFWFLSA-N -1 0 367.405 2.592 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000825687797 601027559 /nfs/dbraw/zinc/02/75/59/601027559.db2.gz XJMWCRBSTLJWOV-KRWDZBQOSA-N -1 0 367.405 2.592 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000738387290 601080045 /nfs/dbraw/zinc/08/00/45/601080045.db2.gz AUMJWJDMQXRNEB-MRXNPFEDSA-N -1 0 363.373 2.849 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1OC ZINC000736114540 601119769 /nfs/dbraw/zinc/11/97/69/601119769.db2.gz WKADXEQQVVZTCY-LHUXKHBRSA-N -1 0 368.389 2.610 20 30 FFEDRM C=CCn1c(C)cc(C(=O)CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000825705417 601122750 /nfs/dbraw/zinc/12/27/50/601122750.db2.gz GXBXFOCDGBZCBQ-IBGZPJMESA-N -1 0 352.434 2.985 20 30 FFEDRM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832858718 601239684 /nfs/dbraw/zinc/23/96/84/601239684.db2.gz FDARGLIMRMJEGG-UHFFFAOYSA-N -1 0 367.329 2.919 20 30 FFEDRM Cn1cc(C#N)cc1C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000833040609 601262158 /nfs/dbraw/zinc/26/21/58/601262158.db2.gz NAWJLOCJEPSQJL-UHFFFAOYSA-N -1 0 366.402 2.895 20 30 FFEDRM CCC1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)(C(=O)[O-])CC1 ZINC000829086020 601275551 /nfs/dbraw/zinc/27/55/51/601275551.db2.gz FQISTKFIFNKOLB-UHFFFAOYSA-N -1 0 373.453 2.748 20 30 FFEDRM CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000831487672 601303281 /nfs/dbraw/zinc/30/32/81/601303281.db2.gz KLLNTEHWMBHRFR-SJCJKPOMSA-N -1 0 353.378 2.769 20 30 FFEDRM C[C@H](O)CN(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000827796264 601309263 /nfs/dbraw/zinc/30/92/63/601309263.db2.gz PPEUDZXXWOLHDW-AWEZNQCLSA-N -1 0 352.390 2.629 20 30 FFEDRM COc1cc(F)ccc1N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832011212 601319116 /nfs/dbraw/zinc/31/91/16/601319116.db2.gz SISJRSIEWSJGGT-IBGZPJMESA-N -1 0 369.396 2.654 20 30 FFEDRM Cc1noc2nc(C)cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000832867704 601347458 /nfs/dbraw/zinc/34/74/58/601347458.db2.gz CJJCRDYLOWNASU-HNNXBMFYSA-N -1 0 351.318 2.694 20 30 FFEDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890432 601350989 /nfs/dbraw/zinc/35/09/89/601350989.db2.gz SHLKYLJBQLDDAL-MGPLVRAMSA-N -1 0 361.300 2.973 20 30 FFEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C(=O)[O-])c1 ZINC000833076237 601355082 /nfs/dbraw/zinc/35/50/82/601355082.db2.gz SKXJZYMXSDHVGL-MDKPJZGXSA-N -1 0 363.369 2.968 20 30 FFEDRM COc1ccc(C/N=C2/NN=C(c3[nH]c(C)c(C(=O)[O-])c3C)CS2)cc1 ZINC000832340316 601403143 /nfs/dbraw/zinc/40/31/43/601403143.db2.gz CMUPCMXQMZUABD-UHFFFAOYSA-N -1 0 372.450 2.935 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)o1 ZINC000833076878 601521613 /nfs/dbraw/zinc/52/16/13/601521613.db2.gz RGBIKZLFPMQNRW-OAHLLOKOSA-N -1 0 354.362 2.713 20 30 FFEDRM N#Cc1ccc(NC(=O)CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000833072977 601540434 /nfs/dbraw/zinc/54/04/34/601540434.db2.gz BVVXXEYZYDLINI-FUHWJXTLSA-N -1 0 355.438 2.852 20 30 FFEDRM Cc1cc(C(=O)NCc2ccc(C#N)cc2F)cc(C)c1OCC(=O)[O-] ZINC000832864294 601557600 /nfs/dbraw/zinc/55/76/00/601557600.db2.gz UCUVIHLXLTXFSY-UHFFFAOYSA-N -1 0 356.353 2.708 20 30 FFEDRM N#Cc1c(F)cccc1N1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833068772 601619056 /nfs/dbraw/zinc/61/90/56/601619056.db2.gz COWZKTVBTCLZCP-UHFFFAOYSA-N -1 0 357.360 2.857 20 30 FFEDRM CCOC(=O)c1sc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)nc1C ZINC000829895294 601644051 /nfs/dbraw/zinc/64/40/51/601644051.db2.gz NHIKKWWIENISFS-FZMZJTMJSA-N -1 0 373.434 2.976 20 30 FFEDRM N#CCCN(C(=O)CCC(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000833065995 601672231 /nfs/dbraw/zinc/67/22/31/601672231.db2.gz QRKCPYCROHTJQL-QGZVFWFLSA-N -1 0 371.437 2.569 20 30 FFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000832859813 601679582 /nfs/dbraw/zinc/67/95/82/601679582.db2.gz YBLUWHPRFHBYBA-FQEVSTJZSA-N -1 0 366.373 2.633 20 30 FFEDRM C[C@H](CS(=O)(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000827571760 601798490 /nfs/dbraw/zinc/79/84/90/601798490.db2.gz RBKMGPVQQBIHDX-GFCCVEGCSA-N -1 0 361.375 2.780 20 30 FFEDRM N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000833078609 601807935 /nfs/dbraw/zinc/80/79/35/601807935.db2.gz MADQDZWRNXTDBM-UHFFFAOYSA-N -1 0 358.423 2.506 20 30 FFEDRM N#Cc1cc(C(=O)[O-])cn(Cc2csc(CCc3ccccc3)n2)c1=O ZINC000833068577 601829881 /nfs/dbraw/zinc/82/98/81/601829881.db2.gz CKSIOBWEPMLPMM-UHFFFAOYSA-N -1 0 365.414 2.708 20 30 FFEDRM O=C([O-])c1cc(S(=O)(=O)OCC(F)(F)C(F)F)ccc1Cl ZINC000833306499 601832860 /nfs/dbraw/zinc/83/28/60/601832860.db2.gz YVOPXPBXZKJBLV-UHFFFAOYSA-N -1 0 350.673 2.644 20 30 FFEDRM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827760240 601842471 /nfs/dbraw/zinc/84/24/71/601842471.db2.gz GUJFCHVJPYJQRN-SNVBAGLBSA-N -1 0 364.810 2.949 20 30 FFEDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000739326752 601869910 /nfs/dbraw/zinc/86/99/10/601869910.db2.gz UGZHZIVTXNUFAY-CQSZACIVSA-N -1 0 358.423 2.980 20 30 FFEDRM CN(C(=O)Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830496072 602003264 /nfs/dbraw/zinc/00/32/64/602003264.db2.gz VVBKNGCGRVFXHO-KRWDZBQOSA-N -1 0 362.307 2.802 20 30 FFEDRM CN(C(=O)Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830495628 602009529 /nfs/dbraw/zinc/00/95/29/602009529.db2.gz ICRZRRJYAHLJHD-KRWDZBQOSA-N -1 0 362.307 2.802 20 30 FFEDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000829972951 602076082 /nfs/dbraw/zinc/07/60/82/602076082.db2.gz OHKOMDKBMFSHLC-GOSISDBHSA-N -1 0 368.389 2.912 20 30 FFEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826677425 602113340 /nfs/dbraw/zinc/11/33/40/602113340.db2.gz SUAXSYDUAJPDNP-HXUWFJFHSA-N -1 0 369.421 2.770 20 30 FFEDRM C=CCn1c(-c2ccccn2)nn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000825705425 602189677 /nfs/dbraw/zinc/18/96/77/602189677.db2.gz HAAXXJJBGKPPKO-CQSZACIVSA-N -1 0 373.482 2.949 20 30 FFEDRM C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825647847 602199923 /nfs/dbraw/zinc/19/99/23/602199923.db2.gz WBBRIUDRYHVVSA-SFHVURJKSA-N -1 0 373.482 2.806 20 30 FFEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CN(C)C(=O)[O-] ZINC000738475066 602258587 /nfs/dbraw/zinc/25/85/87/602258587.db2.gz VNRXZERCLOSUEM-UHFFFAOYSA-N -1 0 353.378 2.994 20 30 FFEDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000739013657 602265155 /nfs/dbraw/zinc/26/51/55/602265155.db2.gz YTNPBZRMATXTRI-ABAIWWIYSA-N -1 0 364.833 2.661 20 30 FFEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)CN(C)C(=O)[O-])cc1 ZINC000739850836 602327352 /nfs/dbraw/zinc/32/73/52/602327352.db2.gz AMLWHCZMZQVGPT-UHFFFAOYSA-N -1 0 355.350 2.907 20 30 FFEDRM CN(C(=O)CCCCOc1cccc(C#N)c1)c1ncc(C(=O)[O-])s1 ZINC000830472684 602339858 /nfs/dbraw/zinc/33/98/58/602339858.db2.gz YEQUKDDABZFKFZ-UHFFFAOYSA-N -1 0 359.407 2.925 20 30 FFEDRM COc1cc(C#N)ccc1OCc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000739852985 602413374 /nfs/dbraw/zinc/41/33/74/602413374.db2.gz OZHYBRHHASBJHQ-UHFFFAOYSA-N -1 0 358.354 2.566 20 30 FFEDRM N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000740323096 602487065 /nfs/dbraw/zinc/48/70/65/602487065.db2.gz IBTYULGWLUNRTL-UHFFFAOYSA-N -1 0 368.368 2.750 20 30 FFEDRM N#CCOc1ccc(CC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740305185 602494375 /nfs/dbraw/zinc/49/43/75/602494375.db2.gz GFMOEZXVHNQZQY-ZWKOTPCHSA-N -1 0 371.437 2.655 20 30 FFEDRM C=CCn1c(C2CC2)nn(CN(CCC)[C@@H]2CCN(C(=O)[O-])C2)c1=S ZINC000738503081 602526695 /nfs/dbraw/zinc/52/66/95/602526695.db2.gz MJNZLIQUERWWMX-CQSZACIVSA-N -1 0 365.503 2.899 20 30 FFEDRM CN(C(=O)CNc1ccc2c(c1)CN(C(=O)[O-])CC2)C1(C#N)CCCCC1 ZINC000739571203 602550044 /nfs/dbraw/zinc/55/00/44/602550044.db2.gz BWMJCICKXBXOHE-UHFFFAOYSA-N -1 0 370.453 2.819 20 30 FFEDRM N#Cc1ccsc1NC(=O)COC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740321513 602551236 /nfs/dbraw/zinc/55/12/36/602551236.db2.gz CFGSISBRPLCPQM-UHFFFAOYSA-N -1 0 363.326 2.644 20 30 FFEDRM CCN(Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000739445731 602654206 /nfs/dbraw/zinc/65/42/06/602654206.db2.gz FOZMKTLEVYHXDI-UHFFFAOYSA-N -1 0 359.407 2.859 20 30 FFEDRM N#C[C@@H](C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1CCCCC1 ZINC000740303238 602670152 /nfs/dbraw/zinc/67/01/52/602670152.db2.gz HTVNXTKFUYPTKW-IRXDYDNUSA-N -1 0 371.437 2.933 20 30 FFEDRM N#Cc1ccc(CN(C(=O)c2csc(CNC(=O)[O-])n2)C2CC2)cc1 ZINC000740313078 602697408 /nfs/dbraw/zinc/69/74/08/602697408.db2.gz ONGOIMDZCDHAQW-UHFFFAOYSA-N -1 0 356.407 2.587 20 30 FFEDRM N#Cc1ccc(CN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)C2CC2)cc1 ZINC000740313247 602724000 /nfs/dbraw/zinc/72/40/00/602724000.db2.gz RZVSLOAVDNKBNV-INIZCTEOSA-N -1 0 356.426 2.622 20 30 FFEDRM N#Cc1ccc(CSCC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])cc1 ZINC000740314673 602787122 /nfs/dbraw/zinc/78/71/22/602787122.db2.gz GXUQGDNOJKTHRS-JKSUJKDBSA-N -1 0 361.467 2.734 20 30 FFEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000738468818 602799012 /nfs/dbraw/zinc/79/90/12/602799012.db2.gz AFWJOBYQQWCHIQ-UHFFFAOYSA-N -1 0 354.410 2.948 20 30 FFEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000738730501 602896585 /nfs/dbraw/zinc/89/65/85/602896585.db2.gz MFCZLSGNDKHECH-IAGOWNOFSA-N -1 0 373.453 2.824 20 30 FFEDRM CC(C)(CCC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)NC(=O)[O-] ZINC000738738803 602925396 /nfs/dbraw/zinc/92/53/96/602925396.db2.gz KTNKOVFZRPUPAS-JTQLQIEISA-N -1 0 351.790 2.814 20 30 FFEDRM N#Cc1ccc(OCCNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000740319788 602970489 /nfs/dbraw/zinc/97/04/89/602970489.db2.gz YYXDKAQZKNJFKO-MRXNPFEDSA-N -1 0 373.796 2.716 20 30 FFEDRM Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000829924882 603131150 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ZINC001573364667 1077683529 /nfs/dbraw/zinc/68/35/29/1077683529.db2.gz QDLOKBBULNEVJB-CYBMUJFWSA-N -1 0 359.607 2.723 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)c(OC)c1)C(=O)[O-] ZINC001573366372 1077684439 /nfs/dbraw/zinc/68/44/39/1077684439.db2.gz LTWDBMUSQSUVGT-LBPRGKRZSA-N -1 0 356.216 2.997 20 30 FFEDRM COc1ccc(C#N)cc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001574196450 1077923644 /nfs/dbraw/zinc/92/36/44/1077923644.db2.gz VYILQEIMAFCEPI-JKSUJKDBSA-N -1 0 365.389 2.899 20 30 FFEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)C3(CC(=O)[O-])CCC3)ccc21 ZINC001574481214 1077998991 /nfs/dbraw/zinc/99/89/91/1077998991.db2.gz WZAKDFQRVZLJQW-UHFFFAOYSA-N -1 0 369.421 2.853 20 30 FFEDRM N#Cc1ccc(C2(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)CCOCC2)cc1 ZINC001574485226 1078000425 /nfs/dbraw/zinc/00/04/25/1078000425.db2.gz DDRPJXUJXVIJGH-SOFGYWHQSA-N -1 0 366.373 2.685 20 30 FFEDRM N#Cc1cccc(O[N-]C(=O)CSc2nc(-c3ccccc3)no2)c1 ZINC001587208661 1079755031 /nfs/dbraw/zinc/75/50/31/1079755031.db2.gz 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C#C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Br)cc1 ZINC001588377275 1079998602 /nfs/dbraw/zinc/99/86/02/1079998602.db2.gz KLDHXESTEJMZTO-LBPRGKRZSA-N -1 0 359.179 2.647 20 30 FFEDRM C#CC[C@H](CC)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1Cc1ccccc1 ZINC001588389855 1080002101 /nfs/dbraw/zinc/00/21/01/1080002101.db2.gz COXMSXAXUIGPPP-JXFKEZNVSA-N -1 0 370.428 2.846 20 30 FFEDRM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001588393331 1080004563 /nfs/dbraw/zinc/00/45/63/1080004563.db2.gz AFSLKCDUYPFXIO-MRXNPFEDSA-N -1 0 370.792 2.858 20 30 FFEDRM C#CC[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588394265 1080006419 /nfs/dbraw/zinc/00/64/19/1080006419.db2.gz JLKMJKIEMXJIEF-LJQANCHMSA-N -1 0 350.418 2.861 20 30 FFEDRM C#CC[C@@H](NC(=O)C(C)(C)COc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001588394498 1080007728 /nfs/dbraw/zinc/00/77/28/1080007728.db2.gz LWSCCRPRBHANFF-CYBMUJFWSA-N -1 0 358.221 2.991 20 30 FFEDRM C#CC[C@@H](NC(=O)C1(c2cccc(Br)c2)CCCC1)C(=O)[O-] ZINC001588398243 1080009068 /nfs/dbraw/zinc/00/90/68/1080009068.db2.gz GDQOTLDWWZAMSC-CQSZACIVSA-N -1 0 364.239 2.854 20 30 FFEDRM C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588415565 1080019227 /nfs/dbraw/zinc/01/92/27/1080019227.db2.gz NTQRZKKAAPMLCJ-IUCAKERBSA-N -1 0 369.882 2.638 20 30 FFEDRM C#CCCCCNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001588442513 1080028112 /nfs/dbraw/zinc/02/81/12/1080028112.db2.gz UABANSXVIHPHNB-UHFFFAOYSA-N -1 0 353.216 2.750 20 30 FFEDRM C=CC1(CC(=O)Nc2cc(C(=O)[O-])ccn2)CN(C(=O)OC(C)(C)C)C1 ZINC001588452415 1080031483 /nfs/dbraw/zinc/03/14/83/1080031483.db2.gz OTOYQVWTYFGXKK-UHFFFAOYSA-N -1 0 361.398 2.532 20 30 FFEDRM C#CCCOc1ccc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001588455056 1080033641 /nfs/dbraw/zinc/03/36/41/1080033641.db2.gz BIJMIBFADVLKQK-UHFFFAOYSA-N -1 0 365.385 2.822 20 30 FFEDRM C#CCCOc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C)=C2C(=O)[O-])cc1 ZINC001588458273 1080034174 /nfs/dbraw/zinc/03/41/74/1080034174.db2.gz LQNTVMVYHOPAHY-SFHVURJKSA-N -1 0 354.406 2.924 20 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ZINC001588504044 1080061297 /nfs/dbraw/zinc/06/12/97/1080061297.db2.gz FEZOKNSGXXDLJT-UHFFFAOYSA-N -1 0 364.350 2.612 20 30 FFEDRM C#CCOc1ccccc1NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001588504995 1080061520 /nfs/dbraw/zinc/06/15/20/1080061520.db2.gz QNOFPCQBFFOZQK-BIWSTMPVSA-N -1 0 374.462 2.949 20 30 FFEDRM C#CCOc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001588505038 1080063229 /nfs/dbraw/zinc/06/32/29/1080063229.db2.gz SZNBONYXVVUBQH-INIZCTEOSA-N -1 0 352.390 2.997 20 30 FFEDRM C=C(C)[C@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(F)c(F)c1 ZINC001588533845 1080083405 /nfs/dbraw/zinc/08/34/05/1080083405.db2.gz ASYSOMRNZAXCNW-RDJZCZTQSA-N -1 0 352.381 2.637 20 30 FFEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588535600 1080084911 /nfs/dbraw/zinc/08/49/11/1080084911.db2.gz KADOHKKGHJLQMP-JTQLQIEISA-N -1 0 371.231 2.904 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(Br)c(C)c1)C(=O)[O-] ZINC001588542182 1080087960 /nfs/dbraw/zinc/08/79/60/1080087960.db2.gz CKKCHIXSJDWMDD-CYBMUJFWSA-N -1 0 356.216 2.672 20 30 FFEDRM C=C(C)CN(Cc1ccc(CO)o1)[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001588567722 1080101634 /nfs/dbraw/zinc/10/16/34/1080101634.db2.gz RARUHBAKSHVSHF-SFHVURJKSA-N -1 0 373.405 2.763 20 30 FFEDRM C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588571263 1080102776 /nfs/dbraw/zinc/10/27/76/1080102776.db2.gz IITYZVVFQYXXEH-DTWKUNHWSA-N -1 0 369.882 2.638 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)n(C)n2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588577540 1080105360 /nfs/dbraw/zinc/10/53/60/1080105360.db2.gz WYNBBKPBQUVSGA-OAHLLOKOSA-N -1 0 372.473 2.644 20 30 FFEDRM C=C(C)Cn1c(-c2cccc(=O)[nH]2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588579112 1080107275 /nfs/dbraw/zinc/10/72/75/1080107275.db2.gz VCSXIFFVDQKLQD-AWEZNQCLSA-N -1 0 371.441 2.703 20 30 FFEDRM C=C(C)Cn1c([C@H]2CC=CCC2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001588592001 1080114502 /nfs/dbraw/zinc/11/45/02/1080114502.db2.gz PMXROPMFOQNDCB-TWOQFEAHSA-N -1 0 372.469 2.605 20 30 FFEDRM C=C(C)Cn1c(CC(C)(C)C#N)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588592293 1080115523 /nfs/dbraw/zinc/11/55/23/1080115523.db2.gz VUCYCXRGHGQSOX-LIRRHRJNSA-N -1 0 357.458 2.638 20 30 FFEDRM C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588597173 1080118127 /nfs/dbraw/zinc/11/81/27/1080118127.db2.gz BCKNBHDQYLRHKL-CQSZACIVSA-N -1 0 365.437 2.837 20 30 FFEDRM C=C(C)Cn1c(SCC2(C(=O)[O-])CCOCC2)nnc1-c1ccncc1 ZINC001588599012 1080119408 /nfs/dbraw/zinc/11/94/08/1080119408.db2.gz DQRSOYGBGPFRTB-UHFFFAOYSA-N -1 0 374.466 2.890 20 30 FFEDRM C=C(C)Cn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001588598903 1080119540 /nfs/dbraw/zinc/11/95/40/1080119540.db2.gz RSEWQRZFZLCCAY-UYAOXDASSA-N -1 0 369.469 2.881 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1 ZINC001588607471 1080121646 /nfs/dbraw/zinc/12/16/46/1080121646.db2.gz GITBSXUXKSUCNA-CZDRUDQFSA-N -1 0 356.422 2.630 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCOc2cccc(Br)c2C1 ZINC001588619185 1080123751 /nfs/dbraw/zinc/12/37/51/1080123751.db2.gz NAXVAMKAXHUCTP-UHFFFAOYSA-N -1 0 354.200 2.591 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001588615509 1080123924 /nfs/dbraw/zinc/12/39/24/1080123924.db2.gz WYASRCPLSGESOE-GOEBONIOSA-N -1 0 366.458 2.657 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)cc(I)c1 ZINC001588629408 1080128727 /nfs/dbraw/zinc/12/87/27/1080128727.db2.gz KFASBZLHMMUPAY-UHFFFAOYSA-N -1 0 359.163 2.959 20 30 FFEDRM CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001588643842 1080135731 /nfs/dbraw/zinc/13/57/31/1080135731.db2.gz WBIXQKFSSROLQI-MLBPIDQTSA-N -1 0 350.459 2.871 20 30 FFEDRM C=C[C@@H](COC)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588693245 1080158296 /nfs/dbraw/zinc/15/82/96/1080158296.db2.gz USIGWXYCLXVNLO-JTQLQIEISA-N -1 0 357.204 2.778 20 30 FFEDRM C=CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)c1ccncc1 ZINC001588749009 1080180186 /nfs/dbraw/zinc/18/01/86/1080180186.db2.gz CMTVOTXQJNZLBV-CQSZACIVSA-N -1 0 364.398 2.823 20 30 FFEDRM C=CC[C@@H](OC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC001588757135 1080181426 /nfs/dbraw/zinc/18/14/26/1080181426.db2.gz WJRKUWQGUKPAOG-RCCFBDPRSA-N -1 0 370.405 2.582 20 30 FFEDRM C=CCC1(CNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CCCC1 ZINC001588767398 1080185150 /nfs/dbraw/zinc/18/51/50/1080185150.db2.gz ZOXBQRBEXRZNRB-CQSZACIVSA-N -1 0 368.474 2.997 20 30 FFEDRM C=CCC[C@@H](O)CN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588778517 1080192123 /nfs/dbraw/zinc/19/21/23/1080192123.db2.gz CTRWJECSMMYBFI-IAQYHMDHSA-N -1 0 372.259 2.842 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(N(C)C)cc2)o1 ZINC001588782072 1080193274 /nfs/dbraw/zinc/19/32/74/1080193274.db2.gz PAHXRGQDKYRSNB-UHFFFAOYSA-N -1 0 368.445 2.955 20 30 FFEDRM C=CCCC[C@@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588788503 1080196455 /nfs/dbraw/zinc/19/64/55/1080196455.db2.gz DWXMEJYMNVSDAY-HUUCEWRRSA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2)C(=O)[O-] ZINC001588789819 1080196782 /nfs/dbraw/zinc/19/67/82/1080196782.db2.gz KLGIMNZMQZEVTD-HOTGVXAUSA-N -1 0 357.406 2.789 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)[O-] ZINC001588790621 1080197657 /nfs/dbraw/zinc/19/76/57/1080197657.db2.gz ZXZJFPNIDOOUPG-WBVHZDCISA-N -1 0 358.438 2.582 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001588793363 1080198798 /nfs/dbraw/zinc/19/87/98/1080198798.db2.gz PNZPQYCHRILZFK-HNNXBMFYSA-N -1 0 372.381 2.535 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001588792949 1080198932 /nfs/dbraw/zinc/19/89/32/1080198932.db2.gz ICORNCKHMHOVNO-CYBMUJFWSA-N -1 0 363.414 2.968 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)C(=O)[O-] ZINC001588792859 1080199005 /nfs/dbraw/zinc/19/90/05/1080199005.db2.gz GWBVSXQTNJHQFN-QGZVFWFLSA-N -1 0 367.405 2.873 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)C(=O)[O-] ZINC001588798542 1080202104 /nfs/dbraw/zinc/20/21/04/1080202104.db2.gz JJWQKGVUOOGJKW-HNNXBMFYSA-N -1 0 363.435 2.936 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001588832875 1080211589 /nfs/dbraw/zinc/21/15/89/1080211589.db2.gz UQVPNTCJAVQZIK-UHFFFAOYSA-N -1 0 355.394 2.937 20 30 FFEDRM C=CCN(Cc1oncc1C(=O)[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC001588831655 1080211948 /nfs/dbraw/zinc/21/19/48/1080211948.db2.gz GUAZWWFBXUFJFE-MRXNPFEDSA-N -1 0 358.394 2.535 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001588859452 1080220657 /nfs/dbraw/zinc/22/06/57/1080220657.db2.gz LVTNUEZFLLNRMI-SFHVURJKSA-N -1 0 373.380 2.887 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001588861757 1080221104 /nfs/dbraw/zinc/22/11/04/1080221104.db2.gz LSBLLRJXEYLRRP-LLVKDONJSA-N -1 0 351.708 2.744 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588860517 1080221200 /nfs/dbraw/zinc/22/12/00/1080221200.db2.gz WVFOPSFRHPSORM-GFCCVEGCSA-N -1 0 366.826 2.849 20 30 FFEDRM C=CCOCCNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001588868903 1080222743 /nfs/dbraw/zinc/22/27/43/1080222743.db2.gz FTDMXGFJUNSQHS-UHFFFAOYSA-N -1 0 361.423 2.510 20 30 FFEDRM C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588889130 1080235916 /nfs/dbraw/zinc/23/59/16/1080235916.db2.gz MWBUHDGVIZVNLI-MRXNPFEDSA-N -1 0 350.781 2.788 20 30 FFEDRM C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588888723 1080235934 /nfs/dbraw/zinc/23/59/34/1080235934.db2.gz BCDODSQZKLYVDX-MRXNPFEDSA-N -1 0 350.781 2.788 20 30 FFEDRM C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588888810 1080236269 /nfs/dbraw/zinc/23/62/69/1080236269.db2.gz FDPPWQXOFOJKOD-RHSMWYFYSA-N -1 0 365.437 2.744 20 30 FFEDRM C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588888720 1080236553 /nfs/dbraw/zinc/23/65/53/1080236553.db2.gz BAKWDYQIHSLROH-UHFFFAOYSA-N -1 0 363.421 2.980 20 30 FFEDRM 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N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C(=O)[O-])C2CC2)c1 ZINC000548248510 516849959 /nfs/dbraw/zinc/84/99/59/516849959.db2.gz FYONVQUFMVMFJY-SFHVURJKSA-N -1 0 370.430 2.612 20 30 FFEDRM Cc1cc([C@H](NS(=O)(=O)c2ccccc2C#N)C(=O)[O-])ccc1Cl ZINC000548260330 516853903 /nfs/dbraw/zinc/85/39/03/516853903.db2.gz CTSFFWHWIXWTFR-HNNXBMFYSA-N -1 0 364.810 2.624 20 30 FFEDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[C@H]1C1CC1 ZINC000529004587 516856592 /nfs/dbraw/zinc/85/65/92/516856592.db2.gz OUPXFKAWOCZYIP-MCCGJVOXSA-N -1 0 372.368 2.674 20 30 FFEDRM COCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000541093158 516872749 /nfs/dbraw/zinc/87/27/49/516872749.db2.gz HAPIEYCVPDHYOX-AWEZNQCLSA-N -1 0 367.434 2.847 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccccc2N(C)C)cc1C#N ZINC000562214033 516960685 /nfs/dbraw/zinc/96/06/85/516960685.db2.gz RPVHHKUAMDICRJ-UHFFFAOYSA-N -1 0 356.451 2.719 20 30 FFEDRM CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000541304871 516974994 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Cc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)c(C)c2)C(=O)[O-])c1C ZINC000562435172 517107209 /nfs/dbraw/zinc/10/72/09/517107209.db2.gz SIOIIIVIHSVWAF-KRWDZBQOSA-N -1 0 358.419 2.588 20 30 FFEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000555848305 517153511 /nfs/dbraw/zinc/15/35/11/517153511.db2.gz PMQVZRXZZLZQNM-ZDUSSCGKSA-N -1 0 358.847 2.693 20 30 FFEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCc2n[n-]c(=N)o2)c1 ZINC000519755876 517165500 /nfs/dbraw/zinc/16/55/00/517165500.db2.gz YJOPSMHWTQGPLO-UHFFFAOYSA-N -1 0 369.768 2.730 20 30 FFEDRM N#CC1(CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCCCC1 ZINC000548982651 517339814 /nfs/dbraw/zinc/33/98/14/517339814.db2.gz IXDKWFXYHWTFIN-OAHLLOKOSA-N -1 0 356.488 2.803 20 30 FFEDRM COCCOc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000542187418 517427736 /nfs/dbraw/zinc/42/77/36/517427736.db2.gz UMOMKINCHDZNTC-UHFFFAOYSA-N -1 0 360.410 2.947 20 30 FFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000542234788 517451903 /nfs/dbraw/zinc/45/19/03/517451903.db2.gz JCWIAQCMKABZQT-UHFFFAOYSA-N -1 0 362.455 2.837 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OC(F)F)nc2)cc1C#N ZINC000549233138 517469437 /nfs/dbraw/zinc/46/94/37/517469437.db2.gz SNYJXVNLSIXWEG-UHFFFAOYSA-N -1 0 352.322 2.629 20 30 FFEDRM C=CCCCS(=O)(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@]1(C)C(=O)[O-] ZINC000520697952 517482982 /nfs/dbraw/zinc/48/29/82/517482982.db2.gz SGIFYSOVLTUHHQ-WMZOPIPTSA-N -1 0 351.468 2.924 20 30 FFEDRM N#Cc1cc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)ccc1O ZINC000521069267 517604106 /nfs/dbraw/zinc/60/41/06/517604106.db2.gz DORAFWZAYSNPMV-UHFFFAOYSA-N -1 0 350.374 2.868 20 30 FFEDRM Cn1ncc(C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1C#N ZINC000527271576 517607944 /nfs/dbraw/zinc/60/79/44/517607944.db2.gz VGCXJZAMDHSAKR-CYBMUJFWSA-N -1 0 364.434 2.864 20 30 FFEDRM C=CCSCCNS(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000563075257 517638823 /nfs/dbraw/zinc/63/88/23/517638823.db2.gz PSJMFQSZLKBJND-UHFFFAOYSA-N -1 0 355.437 2.637 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553556954 517782731 /nfs/dbraw/zinc/78/27/31/517782731.db2.gz DKYQXSKZQUNYJM-RNCFNFMXSA-N -1 0 351.802 2.878 20 30 FFEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546707000 517809603 /nfs/dbraw/zinc/80/96/03/517809603.db2.gz APUGUZRGEIVOMT-UHFFFAOYSA-N -1 0 357.185 2.723 20 30 FFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c(F)c1 ZINC000516698058 517814070 /nfs/dbraw/zinc/81/40/70/517814070.db2.gz HZJVLLHPGHURCE-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)CCCOCc2ccccc2)c1 ZINC000522013296 517950695 /nfs/dbraw/zinc/95/06/95/517950695.db2.gz DMWYVSUXXJMQFR-UHFFFAOYSA-N -1 0 373.478 2.973 20 30 FFEDRM C=CCN=c1[n-]nc(S[C@H]2CCCN(c3cccc(F)c3)C2=O)s1 ZINC000522328048 518079006 /nfs/dbraw/zinc/07/90/06/518079006.db2.gz LMIVEMHDAIRLLR-ZDUSSCGKSA-N -1 0 364.471 2.985 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC000563721192 518088460 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CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000569752079 518272553 /nfs/dbraw/zinc/27/25/53/518272553.db2.gz GPSYEWPEYYSXNH-UHFFFAOYSA-N -1 0 370.356 2.839 20 30 FFEDRM C=C(C)CS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(Cl)s1 ZINC000575993092 518378541 /nfs/dbraw/zinc/37/85/41/518378541.db2.gz UIIXGVHBDVFKOX-GZMMTYOYSA-N -1 0 367.901 2.808 20 30 FFEDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000567319444 518460940 /nfs/dbraw/zinc/46/09/40/518460940.db2.gz ZRHZTFYLGVTBCN-UHFFFAOYSA-N -1 0 351.815 2.748 20 30 FFEDRM CCC[C@H](CCCCNS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-] ZINC000567356822 518482731 /nfs/dbraw/zinc/48/27/31/518482731.db2.gz XUXQKIOIXIFSER-CYBMUJFWSA-N -1 0 370.446 2.788 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1C(=O)[O-] ZINC000585840085 518619776 /nfs/dbraw/zinc/61/97/76/518619776.db2.gz ATZCAVDDURVUDX-QGZVFWFLSA-N -1 0 356.403 2.531 20 30 FFEDRM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)s2)c1O ZINC000586750593 518626563 /nfs/dbraw/zinc/62/65/63/518626563.db2.gz GAUXZQSYGSNGFY-UHFFFAOYSA-N -1 0 372.811 2.566 20 30 FFEDRM N#CC1(CS(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCCCC1 ZINC000573390120 518641585 /nfs/dbraw/zinc/64/15/85/518641585.db2.gz KHGRRGBOTTULIB-UHFFFAOYSA-N -1 0 362.451 2.941 20 30 FFEDRM C=CCOC[C@@H](NC(=O)NCC(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000570583517 518680798 /nfs/dbraw/zinc/68/07/98/518680798.db2.gz BQZSJFGMYYENBL-OAHLLOKOSA-N -1 0 368.861 2.864 20 30 FFEDRM C[C@@H](C#N)CNC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000568348729 518992133 /nfs/dbraw/zinc/99/21/33/518992133.db2.gz QIQAHSIZIAOKSB-QMMMGPOBSA-N -1 0 366.244 2.671 20 30 FFEDRM C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[C@@H]1CCC(=O)[O-] ZINC000568361754 519001113 /nfs/dbraw/zinc/00/11/13/519001113.db2.gz MZGALARTLVBGPP-YPMHNXCESA-N -1 0 370.858 2.723 20 30 FFEDRM COc1cc(CNC(=O)c2cccc(Br)c2[O-])ccc1C#N ZINC000589648945 519057732 /nfs/dbraw/zinc/05/77/32/519057732.db2.gz FTMIQNZVDSJTBI-UHFFFAOYSA-N -1 0 361.195 2.965 20 30 FFEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000574310632 519092727 /nfs/dbraw/zinc/09/27/27/519092727.db2.gz QZVGJCGFYKZUMY-UHFFFAOYSA-N -1 0 357.313 2.781 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)cc1C#N ZINC000589965118 519115320 /nfs/dbraw/zinc/11/53/20/519115320.db2.gz LAYJCSPPUZKUHA-AWEZNQCLSA-N -1 0 367.434 2.868 20 30 FFEDRM CC(C)C[C@@H](C#N)NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000589976427 519116723 /nfs/dbraw/zinc/11/67/23/519116723.db2.gz HTYAONSGQABEFV-VIFPVBQESA-N -1 0 354.325 2.941 20 30 FFEDRM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1nc(-c2ccncc2)cs1 ZINC000577524119 519124172 /nfs/dbraw/zinc/12/41/72/519124172.db2.gz XFORKYKUXQYJKH-HNNXBMFYSA-N -1 0 373.401 2.671 20 30 FFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)s1 ZINC000568704294 519170046 /nfs/dbraw/zinc/17/00/46/519170046.db2.gz HSZWOBRAPILBRP-UHFFFAOYSA-N -1 0 366.468 2.531 20 30 FFEDRM C=CCCCS(=O)(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000580441308 519179051 /nfs/dbraw/zinc/17/90/51/519179051.db2.gz ODJABWYVENEKSD-UHFFFAOYSA-N -1 0 366.464 2.894 20 30 FFEDRM C=CCSCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000566066513 519276079 /nfs/dbraw/zinc/27/60/79/519276079.db2.gz WKAHNUYIGLTNQT-UHFFFAOYSA-N -1 0 369.386 2.601 20 30 FFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000580725997 519326014 /nfs/dbraw/zinc/32/60/14/519326014.db2.gz YWXPDCUSGVFEQI-ZDUSSCGKSA-N -1 0 356.831 2.620 20 30 FFEDRM N#CCc1ccc(CS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)cc1 ZINC000583604550 519333519 /nfs/dbraw/zinc/33/35/19/519333519.db2.gz NDNSBVJCVKIXIG-UHFFFAOYSA-N -1 0 356.382 2.651 20 30 FFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2cccc3ccoc32)c1C#N ZINC000590740592 519341227 /nfs/dbraw/zinc/34/12/27/519341227.db2.gz MIVXTANHDFCVRP-UHFFFAOYSA-N -1 0 359.411 2.675 20 30 FFEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000572005282 519393414 /nfs/dbraw/zinc/39/34/14/519393414.db2.gz SSQNAMRTZKESBO-UHFFFAOYSA-N -1 0 351.346 2.990 20 30 FFEDRM COc1cccc2c1CN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)CC2 ZINC000590874788 519416523 /nfs/dbraw/zinc/41/65/23/519416523.db2.gz JWLYQSFCVGVNSH-UHFFFAOYSA-N -1 0 355.419 2.588 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000591349508 519603930 /nfs/dbraw/zinc/60/39/30/519603930.db2.gz RFCHRVTVCCSULY-SUMWQHHRSA-N -1 0 350.374 2.931 20 30 FFEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](C#N)CC ZINC000594418114 519953974 /nfs/dbraw/zinc/95/39/74/519953974.db2.gz YFWCBEHGWKHUHE-DOTOQJQBSA-N -1 0 354.454 2.776 20 30 FFEDRM C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541331 520018416 /nfs/dbraw/zinc/01/84/16/520018416.db2.gz RPFOQWZOMVRFEJ-WKPIXPDZSA-N -1 0 368.393 2.984 20 30 FFEDRM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000594574624 520034258 /nfs/dbraw/zinc/03/42/58/520034258.db2.gz ONPYZFMUBWTSLR-YPMHNXCESA-N -1 0 370.858 2.866 20 30 FFEDRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC000594573902 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C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(C(C)C)c2C)c1 ZINC000647279160 730733202 /nfs/dbraw/zinc/73/32/02/730733202.db2.gz VDPKLTMRJVWVEX-UHFFFAOYSA-N -1 0 362.455 2.558 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(Br)c(SC)c1)C(=O)[O-] ZINC000864145285 730825757 /nfs/dbraw/zinc/82/57/57/730825757.db2.gz HTZJHRWOXZGLBE-NSHDSACASA-N -1 0 374.256 2.557 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000864181679 730828536 /nfs/dbraw/zinc/82/85/36/730828536.db2.gz FBKHWJOGXWYMCE-KGLIPLIRSA-N -1 0 373.236 2.619 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000864183793 730828926 /nfs/dbraw/zinc/82/89/26/730828926.db2.gz IJGWAKDSZONBRB-MRXNPFEDSA-N -1 0 361.829 2.744 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000864184838 730828944 /nfs/dbraw/zinc/82/89/44/730828944.db2.gz RYONPBZRWNPYGE-SKDRFNHKSA-N -1 0 358.803 2.787 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000864184571 730828978 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C=C(CCC(=O)[O-])C(=O)N([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC001588612864 1080122530 /nfs/dbraw/zinc/12/25/30/1080122530.db2.gz ZAXSKWNJGQRHET-QGZVFWFLSA-N -1 0 359.422 2.573 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588696121 1080159964 /nfs/dbraw/zinc/15/99/64/1080159964.db2.gz JUFFKCXDYXHSGO-CHWSQXEVSA-N -1 0 350.430 2.546 20 30 FFEDRM C=CCn1c(Cc2ccc(-c3nn[nH]n3)cc2)nnc1N1CCCC1(C)C ZINC001588704118 1080161786 /nfs/dbraw/zinc/16/17/86/1080161786.db2.gz WYOAXFPPJFRRPK-UHFFFAOYSA-N -1 0 364.457 2.614 20 30 FFEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[nH]n3)cc2)c1C ZINC001588703442 1080162135 /nfs/dbraw/zinc/16/21/35/1080162135.db2.gz PJHIYZBXSAOLAP-UHFFFAOYSA-N -1 0 365.393 2.511 20 30 FFEDRM C=CC1(CC(=O)O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CCCCC1 ZINC001588718834 1080169617 /nfs/dbraw/zinc/16/96/17/1080169617.db2.gz HGLUQXJJNWFITO-AWEZNQCLSA-N -1 0 351.443 2.768 20 30 FFEDRM C=CC[C@H](C(=O)[O-])N1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC001588729265 1080173945 /nfs/dbraw/zinc/17/39/45/1080173945.db2.gz IQAXJECJGYCANE-NVXWUHKLSA-N -1 0 370.453 2.753 20 30 FFEDRM C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001588731616 1080175269 /nfs/dbraw/zinc/17/52/69/1080175269.db2.gz LLNAVOMQBJAHHL-UONOGXRCSA-N -1 0 358.207 2.991 20 30 FFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2OC)CCCC1 ZINC001588769059 1080186406 /nfs/dbraw/zinc/18/64/06/1080186406.db2.gz KPSJFMMBJZKCRV-UHFFFAOYSA-N -1 0 357.403 2.700 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C)C(=O)[O-] ZINC001588797547 1080200479 /nfs/dbraw/zinc/20/04/79/1080200479.db2.gz IEEWMNMEFOSQEC-OAHLLOKOSA-N -1 0 357.410 2.933 20 30 FFEDRM C=CCCCCCCNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588798323 1080200827 /nfs/dbraw/zinc/20/08/27/1080200827.db2.gz AZZUEMRSUPFEHD-IBGZPJMESA-N -1 0 352.475 2.914 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(F)ccc1OC(C)C)C(=O)[O-] ZINC001588798767 1080202154 /nfs/dbraw/zinc/20/21/54/1080202154.db2.gz QTKONCJGPVQBPK-ZDUSSCGKSA-N -1 0 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1080212190 /nfs/dbraw/zinc/21/21/90/1080212190.db2.gz KLNHUWWZDXOCSW-XDNAFOTISA-N -1 0 353.422 2.755 20 30 FFEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001588844391 1080215265 /nfs/dbraw/zinc/21/52/65/1080215265.db2.gz WVMGJZJRSYRVBY-UHFFFAOYSA-N -1 0 353.378 2.874 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC001588859379 1080220431 /nfs/dbraw/zinc/22/04/31/1080220431.db2.gz JTZSROGXIXXBAW-LLVKDONJSA-N -1 0 354.815 2.782 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001588859451 1080220600 /nfs/dbraw/zinc/22/06/00/1080220600.db2.gz LVTNUEZFLLNRMI-GOSISDBHSA-N -1 0 373.380 2.887 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(Oc2ccccc2C)cn1)C(=O)[O-] ZINC001588861972 1080221793 /nfs/dbraw/zinc/22/17/93/1080221793.db2.gz OUUGPXNGVFNYQX-INIZCTEOSA-N -1 0 356.378 2.568 20 30 FFEDRM C=CCOc1ccc(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC001588873587 1080223174 /nfs/dbraw/zinc/22/31/74/1080223174.db2.gz DGMDHCBHJJVAPP-QGZVFWFLSA-N -1 0 369.417 2.559 20 30 FFEDRM C=CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1 ZINC001588872657 1080223371 /nfs/dbraw/zinc/22/33/71/1080223371.db2.gz AASGLUSKCXCFLY-UHFFFAOYSA-N -1 0 365.407 2.584 20 30 FFEDRM C=CCOc1ccc(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC001588873468 1080224260 /nfs/dbraw/zinc/22/42/60/1080224260.db2.gz AZOIOZDFIAKMKU-UHFFFAOYSA-N -1 0 355.390 2.687 20 30 FFEDRM CC(C)C[C@@H](NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)[O-] ZINC001588886220 1080234211 /nfs/dbraw/zinc/23/42/11/1080234211.db2.gz AWBQUCGQQOAIEK-QGZVFWFLSA-N -1 0 366.421 2.794 20 30 FFEDRM C=CCn1c(-c2ccc(C)c(C#N)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588889097 1080236316 /nfs/dbraw/zinc/23/63/16/1080236316.db2.gz LLSMDCYIIWOWHV-UHFFFAOYSA-N -1 0 351.410 2.612 20 30 FFEDRM C=CCn1c(-c2ccc(COC)o2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588889538 1080237838 /nfs/dbraw/zinc/23/78/38/1080237838.db2.gz XDJIBWCSQPQBMF-UHFFFAOYSA-N -1 0 374.441 2.952 20 30 FFEDRM C=CCn1c2nnc(S[C@@H](C(=O)[O-])[C@H](C)CC)n2c2ccccc2c1=O ZINC001588891155 1080238816 /nfs/dbraw/zinc/23/88/16/1080238816.db2.gz FXEHIMYZBIUACE-BXUZGUMPSA-N -1 0 372.450 2.822 20 30 FFEDRM C=CCn1c(-c2scnc2CC)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588891047 1080239028 /nfs/dbraw/zinc/23/90/28/1080239028.db2.gz BUNWGNNCCSWTBV-QWHCGFSZSA-N -1 0 373.482 2.697 20 30 FFEDRM C=CCn1c(-c2oc(NC)nc2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588891791 1080239413 /nfs/dbraw/zinc/23/94/13/1080239413.db2.gz UDHJUFZTUZKHAI-CYBMUJFWSA-N -1 0 374.445 2.550 20 30 FFEDRM C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588896040 1080245251 /nfs/dbraw/zinc/24/52/51/1080245251.db2.gz DNPDMIFLMCNYRE-YNEHKIRRSA-N -1 0 354.401 2.914 20 30 FFEDRM C=CCn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895587 1080245355 /nfs/dbraw/zinc/24/53/55/1080245355.db2.gz JEFVEKSHZBTAEY-QLFBSQMISA-N -1 0 364.490 2.666 20 30 FFEDRM C=CCn1c([C@H]2CCCC[C@H]2O)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588897030 1080246449 /nfs/dbraw/zinc/24/64/49/1080246449.db2.gz NGVOOPYXCIHNNO-DLBZAZTESA-N -1 0 370.453 2.817 20 30 FFEDRM C=CCn1c([C@@H]2CCCC[C@H]2O)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588897032 1080246635 /nfs/dbraw/zinc/24/66/35/1080246635.db2.gz NGVOOPYXCIHNNO-IAGOWNOFSA-N -1 0 370.453 2.817 20 30 FFEDRM C=CCn1c([C@H]2CC(C)=NN=C2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588897260 1080247182 /nfs/dbraw/zinc/24/71/82/1080247182.db2.gz PIYDBDYXPNBIBW-INIZCTEOSA-N -1 0 372.473 2.869 20 30 FFEDRM C=CCn1c(SCC2(C(=O)[O-])CC2)nnc1[C@H]1COc2ccccc2O1 ZINC001588907428 1080256056 /nfs/dbraw/zinc/25/60/56/1080256056.db2.gz MJGOFKGQWRXLKP-CQSZACIVSA-N -1 0 373.434 2.934 20 30 FFEDRM C=CCn1c(=O)c2ccsc2nc1SCC1(C(=O)[O-])CCOCC1 ZINC001588907374 1080257258 /nfs/dbraw/zinc/25/72/58/1080257258.db2.gz LERRSPDURLMYEO-UHFFFAOYSA-N -1 0 366.464 2.618 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588918065 1080264182 /nfs/dbraw/zinc/26/41/82/1080264182.db2.gz VDSWPILSBOONFU-QEJZJMRPSA-N -1 0 352.818 2.746 20 30 FFEDRM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sccc1C(=O)[O-] ZINC001588925035 1080269788 /nfs/dbraw/zinc/26/97/88/1080269788.db2.gz JXZLFLYECMQKRU-NSHDSACASA-N -1 0 352.412 2.692 20 30 FFEDRM C[C@](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)(C(=O)[O-])c1ccccc1 ZINC001589122789 1080374224 /nfs/dbraw/zinc/37/42/24/1080374224.db2.gz IAUCXPOFRPRRLT-GHTZIAJQSA-N -1 0 363.417 2.643 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589167323 1080393186 /nfs/dbraw/zinc/39/31/86/1080393186.db2.gz DHVGYRFVSJQKKP-SNVBAGLBSA-N -1 0 372.402 2.797 20 30 FFEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC001589702398 1080679142 /nfs/dbraw/zinc/67/91/42/1080679142.db2.gz FPJAUHMHKBNIPZ-JTQLQIEISA-N -1 0 369.219 2.727 20 30 FFEDRM CC(C)(C)C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)C(=O)[O-] ZINC001589752287 1080703633 /nfs/dbraw/zinc/70/36/33/1080703633.db2.gz UHCVBHKWPPWVJU-NSHDSACASA-N -1 0 366.464 2.941 20 30 FFEDRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590138272 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C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3CCCCO3)cc2[n-]c1=S ZINC000272275042 511487818 /nfs/dbraw/zinc/48/78/18/511487818.db2.gz SHOQJXRDCSRYJN-WBMJQRKESA-N -1 0 373.478 2.559 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)nn1CCC#N ZINC000272957771 511513424 /nfs/dbraw/zinc/51/34/24/511513424.db2.gz RJKUZKJWEBAGPS-UHFFFAOYSA-N -1 0 370.381 2.550 20 30 FFEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000292551056 511639573 /nfs/dbraw/zinc/63/95/73/511639573.db2.gz AHFQRRPANIVNHB-BXKDBHETSA-N -1 0 372.322 2.761 20 30 FFEDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000321560079 511820401 /nfs/dbraw/zinc/82/04/01/511820401.db2.gz BHVRLARONWLKAU-WDEREUQCSA-N -1 0 358.847 2.769 20 30 FFEDRM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000322402023 511824644 /nfs/dbraw/zinc/82/46/44/511824644.db2.gz UGTULBCIDJXCFY-ZFWWWQNUSA-N -1 0 356.831 2.523 20 30 FFEDRM CC(C)Oc1ccc(=NC(=O)NC2(c3noc(C4CC4)n3)CCCC2)[n-]n1 ZINC000329073013 511978425 /nfs/dbraw/zinc/97/84/25/511978425.db2.gz ZUGKPLHONRTFLU-UHFFFAOYSA-N -1 0 372.429 2.742 20 30 FFEDRM C#CCOc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1 ZINC000297000801 511982085 /nfs/dbraw/zinc/98/20/85/511982085.db2.gz LZWJOGPFMNXBJY-UHFFFAOYSA-N -1 0 353.422 2.730 20 30 FFEDRM Cc1c(Cl)cnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1C#N ZINC000281950567 512023260 /nfs/dbraw/zinc/02/32/60/512023260.db2.gz SEBVFCPLNXZTSZ-UHFFFAOYSA-N -1 0 360.767 2.810 20 30 FFEDRM N#CCCCS(=O)(=O)N(CCCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000275255201 512088400 /nfs/dbraw/zinc/08/84/00/512088400.db2.gz IGPXJBANDICOFA-UHFFFAOYSA-N -1 0 358.847 2.640 20 30 FFEDRM C=CCC[C@@H](NC(=O)C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1 ZINC000411326797 512582099 /nfs/dbraw/zinc/58/20/99/512582099.db2.gz HSLMUDYXFQGMPJ-MRXNPFEDSA-N -1 0 350.422 2.538 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cn2)c(Cl)c1 ZINC000374063068 512644578 /nfs/dbraw/zinc/64/45/78/512644578.db2.gz BKYYUYOVGOIWLK-UHFFFAOYSA-N -1 0 371.809 2.864 20 30 FFEDRM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)N[C@@H](CCC#N)c2ccccc2)s1 ZINC000369924887 512684889 /nfs/dbraw/zinc/68/48/89/512684889.db2.gz USZULEHTLYHTID-AWEZNQCLSA-N -1 0 367.438 2.825 20 30 FFEDRM C=CCN(Cc1ccccc1)C(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1 ZINC000372515326 512912875 /nfs/dbraw/zinc/91/28/75/512912875.db2.gz HHKXREHIJKHJSB-UHFFFAOYSA-N -1 0 354.439 2.879 20 30 FFEDRM COc1ccc2nc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)sc2c1 ZINC000392201381 512922418 /nfs/dbraw/zinc/92/24/18/512922418.db2.gz JGFWQSMJANNBQI-UHFFFAOYSA-N -1 0 360.420 2.681 20 30 FFEDRM CCCCCCCCc1n[n-]c(=NC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)s1 ZINC000368387607 512923943 /nfs/dbraw/zinc/92/39/43/512923943.db2.gz KLGLAWRSMUHDET-WDNDVIMCSA-N -1 0 352.504 2.565 20 30 FFEDRM Cc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC000393155485 512931722 /nfs/dbraw/zinc/93/17/22/512931722.db2.gz CYJFNWCCXCAEPZ-QGZVFWFLSA-N -1 0 358.419 2.751 20 30 FFEDRM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)Nc2ccccc2O[C@H](C)C#N)s1 ZINC000372598847 512962080 /nfs/dbraw/zinc/96/20/80/512962080.db2.gz DYQJKTWLLTVCLK-SECBINFHSA-N -1 0 369.410 2.593 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H](c2cccnc2)C(C)C)cc1C#N ZINC000434341227 513294338 /nfs/dbraw/zinc/29/43/38/513294338.db2.gz KWGOZFWQLQAJCP-HNNXBMFYSA-N -1 0 356.451 2.945 20 30 FFEDRM Cc1ccn2c(c1)n[n-]c2=NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000446648265 513304205 /nfs/dbraw/zinc/30/42/05/513304205.db2.gz KVQWCZHHWYXLJB-UHFFFAOYSA-N -1 0 370.372 2.771 20 30 FFEDRM COc1cccc(S([O-])=CC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425116073 513417657 /nfs/dbraw/zinc/41/76/57/513417657.db2.gz VMNKLQHPERQMAB-DLUDVSRJSA-N -1 0 356.447 2.894 20 30 FFEDRM C[C@@H](O[C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC000421803381 513437811 /nfs/dbraw/zinc/43/78/11/513437811.db2.gz ICLGKNCUNDEDQG-ZIAGYGMSSA-N -1 0 352.390 2.720 20 30 FFEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)CCCCF)n2)c(Cl)c1 ZINC000451030479 513471204 /nfs/dbraw/zinc/47/12/04/513471204.db2.gz NASVWRHRVCQLLQ-UHFFFAOYSA-N -1 0 356.810 2.889 20 30 FFEDRM C=CCc1cc(C(=O)N=c2ccc(OC(C)C)n[n-]2)cc(OC)c1OC ZINC000441566985 513595233 /nfs/dbraw/zinc/59/52/33/513595233.db2.gz OBKFWRAKIZRCTR-UHFFFAOYSA-N -1 0 357.410 2.684 20 30 FFEDRM CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435496387 513603500 /nfs/dbraw/zinc/60/35/00/513603500.db2.gz RXKFKIGPWHJODG-UHFFFAOYSA-N -1 0 369.855 2.824 20 30 FFEDRM Cc1nc(C)n(Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2)n1 ZINC000435497802 513605664 /nfs/dbraw/zinc/60/56/64/513605664.db2.gz RTWPMYPIDXPKBQ-UHFFFAOYSA-N -1 0 373.463 2.677 20 30 FFEDRM Cc1ccc(-c2nsc([N-]S(=O)(=O)c3cccc(C#N)c3)n2)s1 ZINC000442615747 513746095 /nfs/dbraw/zinc/74/60/95/513746095.db2.gz KBQZIVVVIFLMKE-UHFFFAOYSA-N -1 0 362.461 2.669 20 30 FFEDRM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1[O-] ZINC000442861783 513799281 /nfs/dbraw/zinc/79/92/81/513799281.db2.gz YKSXHAKUMZSOLR-QGZVFWFLSA-N -1 0 351.362 2.634 20 30 FFEDRM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000416536483 513822216 /nfs/dbraw/zinc/82/22/16/513822216.db2.gz MARYKBLJYZCCRM-LBPRGKRZSA-N -1 0 365.405 2.921 20 30 FFEDRM Cc1c(S(=O)(=O)[N-]c2cccc(C#N)c2C)cnn1-c1ccccn1 ZINC000431185758 513848010 /nfs/dbraw/zinc/84/80/10/513848010.db2.gz AQEPZSFLCDHKQY-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000431215150 513851913 /nfs/dbraw/zinc/85/19/13/513851913.db2.gz ARLRZLVDNKDJDI-KRWDZBQOSA-N -1 0 355.390 2.686 20 30 FFEDRM Cc1nc(SCC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C#N)c(C)c1C ZINC000422583024 513856121 /nfs/dbraw/zinc/85/61/21/513856121.db2.gz BSSQZISHNPIINK-YGRLFVJLSA-N -1 0 361.467 2.540 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)c1C#N ZINC000436474738 513865698 /nfs/dbraw/zinc/86/56/98/513865698.db2.gz FHGKJAQCRFTQCR-UHFFFAOYSA-N -1 0 357.370 2.592 20 30 FFEDRM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C#N)c(O)c1 ZINC000443289213 513921707 /nfs/dbraw/zinc/92/17/07/513921707.db2.gz YQQFAPIYKNTYQC-IAGOWNOFSA-N -1 0 356.422 2.848 20 30 FFEDRM N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Cl)cc3[O-])n2)c(F)c1 ZINC000436739885 513963221 /nfs/dbraw/zinc/96/32/21/513963221.db2.gz QUOAYYDBHURMCV-UHFFFAOYSA-N -1 0 356.744 2.916 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1C#N ZINC000431701267 513973232 /nfs/dbraw/zinc/97/32/32/513973232.db2.gz BUCMNJRJXABLGA-UHFFFAOYSA-N -1 0 363.333 2.965 20 30 FFEDRM C=CCC[C@@H](NC(=O)[C@@]1(C)CCCCN1C(=O)c1ccccc1)C(=O)[O-] ZINC000448994905 514014003 /nfs/dbraw/zinc/01/40/03/514014003.db2.gz PBCIZDYNAMSQRN-OXQOHEQNSA-N -1 0 358.438 2.607 20 30 FFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCC1CC1 ZINC000416946038 514060007 /nfs/dbraw/zinc/06/00/07/514060007.db2.gz FUTNQOHOOHCPLX-LBPRGKRZSA-N -1 0 355.847 2.524 20 30 FFEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(OC)c(Br)c(OC)c1 ZINC000416958318 514067778 /nfs/dbraw/zinc/06/77/78/514067778.db2.gz OYGVKUYYODMIFY-SECBINFHSA-N -1 0 363.233 2.510 20 30 FFEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416966909 514072433 /nfs/dbraw/zinc/07/24/33/514072433.db2.gz ZCPWPNJVLYASMT-GFCCVEGCSA-N -1 0 359.455 2.885 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1C#N ZINC000427197644 514146687 /nfs/dbraw/zinc/14/66/87/514146687.db2.gz QWMHYFNIBNMGNP-UHFFFAOYSA-N -1 0 355.423 2.993 20 30 FFEDRM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2F)c1 ZINC000427241835 514158739 /nfs/dbraw/zinc/15/87/39/514158739.db2.gz LDVKIZQDJGJMHC-UHFFFAOYSA-N -1 0 371.397 2.696 20 30 FFEDRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427328756 514184129 /nfs/dbraw/zinc/18/41/29/514184129.db2.gz PTUKVLJGGTUDKI-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM C[C@@H](CN(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(=O)[O-] ZINC000414607404 514202050 /nfs/dbraw/zinc/20/20/50/514202050.db2.gz GKPNORTZXOMTRY-JEYLPNPQSA-N -1 0 359.426 2.610 20 30 FFEDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432765472 514278898 /nfs/dbraw/zinc/27/88/98/514278898.db2.gz ZFHVZGUSHMTQMX-UHFFFAOYSA-N -1 0 356.201 2.726 20 30 FFEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2c[nH]c(C(=O)OC)c2)cs1 ZINC000427767660 514308123 /nfs/dbraw/zinc/30/81/23/514308123.db2.gz ZPIJCWHZGVKMGX-UHFFFAOYSA-N -1 0 355.441 2.633 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n(-c2ccc(F)cc2)n1 ZINC000427777626 514311800 /nfs/dbraw/zinc/31/18/00/514311800.db2.gz HIBUWMWALKYBDQ-UHFFFAOYSA-N -1 0 371.397 2.696 20 30 FFEDRM Cn1cc(C#N)cc1C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000470630872 514557032 /nfs/dbraw/zinc/55/70/32/514557032.db2.gz CRWIFUUQECSFEN-UHFFFAOYSA-N -1 0 361.789 2.882 20 30 FFEDRM N#CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccoc3)ccc21 ZINC000507971527 514628493 /nfs/dbraw/zinc/62/84/93/514628493.db2.gz SFHRHNLWJNWFER-UHFFFAOYSA-N -1 0 359.407 2.663 20 30 FFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cnn1-c1ccccc1 ZINC000466474151 514657159 /nfs/dbraw/zinc/65/71/59/514657159.db2.gz MTCJPRXJVOSSRB-UHFFFAOYSA-N -1 0 353.407 2.502 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(OCC(F)F)n2)cc1C#N ZINC000497893058 514674002 /nfs/dbraw/zinc/67/40/02/514674002.db2.gz NYNZMLIYLVCROM-UHFFFAOYSA-N -1 0 366.349 2.672 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nnc(-c3ccco3)s2)cc1C#N ZINC000497901869 514675923 /nfs/dbraw/zinc/67/59/23/514675923.db2.gz WBQCRJSTPKLSTR-UHFFFAOYSA-N -1 0 359.392 2.745 20 30 FFEDRM CN(C)c1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000508124687 514678572 /nfs/dbraw/zinc/67/85/72/514678572.db2.gz JFOHGFKGNZQHRF-UHFFFAOYSA-N -1 0 352.419 2.973 20 30 FFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc(-c2ccc(F)cc2)n1 ZINC000508127438 514680696 /nfs/dbraw/zinc/68/06/96/514680696.db2.gz IYNOVBRGLHPLHJ-UHFFFAOYSA-N -1 0 369.381 2.659 20 30 FFEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(CCn3cccn3)n2)n1 ZINC000453699458 514811805 /nfs/dbraw/zinc/81/18/05/514811805.db2.gz SYMBDEGOPKNNEP-ZDUSSCGKSA-N -1 0 354.439 2.850 20 30 FFEDRM N#CCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000475794584 514812421 /nfs/dbraw/zinc/81/24/21/514812421.db2.gz VFRQGNGUPWKJCK-UHFFFAOYSA-N -1 0 350.783 2.905 20 30 FFEDRM CCc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)c2c(CC(C)(C)C)noc2n1 ZINC000508770921 514890002 /nfs/dbraw/zinc/89/00/02/514890002.db2.gz VZVDPEYGIIIUDV-UHFFFAOYSA-N -1 0 366.425 2.951 20 30 FFEDRM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467141804 514913911 /nfs/dbraw/zinc/91/39/11/514913911.db2.gz ZNDNGWABFZSJME-JTQLQIEISA-N -1 0 370.352 2.721 20 30 FFEDRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000456045753 514920648 /nfs/dbraw/zinc/92/06/48/514920648.db2.gz IPTQTLKLPKAPSS-JQWIXIFHSA-N -1 0 355.847 2.524 20 30 FFEDRM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C12CCCC2 ZINC000467157104 514922212 /nfs/dbraw/zinc/92/22/12/514922212.db2.gz DOHMFGLEEGCXKK-CABCVRRESA-N -1 0 370.421 2.853 20 30 FFEDRM CCc1ccc([C@@H](C#N)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000489967060 515051999 /nfs/dbraw/zinc/05/19/99/515051999.db2.gz XXEKXWUSBCEZRT-OAHLLOKOSA-N -1 0 352.419 2.938 20 30 FFEDRM C[C@@H](CN(Cc1ccccc1)C(=O)COc1ccc(C#N)cc1)C(=O)[O-] ZINC000485743692 515168242 /nfs/dbraw/zinc/16/82/42/515168242.db2.gz RSZAPXMBLPSGGL-HNNXBMFYSA-N -1 0 352.390 2.687 20 30 FFEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1C ZINC000509425596 515171982 /nfs/dbraw/zinc/17/19/82/515171982.db2.gz XIDZFXUETFILPK-UHFFFAOYSA-N -1 0 371.827 2.564 20 30 FFEDRM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1C#N)OCCO2 ZINC000509537936 515224749 /nfs/dbraw/zinc/22/47/49/515224749.db2.gz LDZRQAURTZWNDW-UHFFFAOYSA-N -1 0 362.432 2.852 20 30 FFEDRM Cc1cc(C(C#N)=C([O-])c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc(C)n1 ZINC000490722290 515290885 /nfs/dbraw/zinc/29/08/85/515290885.db2.gz LLAIZRIOOUBNIG-ZDUSSCGKSA-N -1 0 362.349 2.677 20 30 FFEDRM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1OC(C)C ZINC000499491991 515345221 /nfs/dbraw/zinc/34/52/21/515345221.db2.gz LAIVYYLZLFOPTC-UHFFFAOYSA-N -1 0 374.418 2.933 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(OC(C)(C)C)nc2)cc1C#N ZINC000491000225 515354931 /nfs/dbraw/zinc/35/49/31/515354931.db2.gz MRCCSYVAOPXXKD-UHFFFAOYSA-N -1 0 372.450 2.883 20 30 FFEDRM 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ZINC000731177572 601331328 /nfs/dbraw/zinc/33/13/28/601331328.db2.gz HBSPSLFEEBWVMN-UHFFFAOYSA-N -1 0 362.382 2.941 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827878677 601346395 /nfs/dbraw/zinc/34/63/95/601346395.db2.gz AFDSEEJNSVSWKE-PXAZEXFGSA-N -1 0 350.330 2.566 20 30 FFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(C(F)(F)F)nc2)C(=O)[O-])c1 ZINC000833077345 601347358 /nfs/dbraw/zinc/34/73/58/601347358.db2.gz PVAGJTQRRJYBDF-ZDUSSCGKSA-N -1 0 350.252 2.955 20 30 FFEDRM COCCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831773444 601352849 /nfs/dbraw/zinc/35/28/49/601352849.db2.gz FHYNDPUOUOGDOL-KRWDZBQOSA-N -1 0 355.346 2.566 20 30 FFEDRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000826061466 601403279 /nfs/dbraw/zinc/40/32/79/601403279.db2.gz UADMSTLOZOWNQC-KSSFIOAISA-N -1 0 352.390 2.748 20 30 FFEDRM N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)c2)cc1 ZINC000833072064 601657394 /nfs/dbraw/zinc/65/73/94/601657394.db2.gz 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O=C(C=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826400457 607529823 /nfs/dbraw/zinc/52/98/23/607529823.db2.gz ZKLSNXOKLDHKFJ-HYXAFXHYSA-N -1 0 355.285 2.516 20 30 FFEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)NC(=O)[O-])cc1 ZINC000739853062 601856542 /nfs/dbraw/zinc/85/65/42/601856542.db2.gz RPKBXWIPRYHTNE-LLVKDONJSA-N -1 0 355.350 2.954 20 30 FFEDRM C[C@H](Oc1ccc(C=NN2C(=S)N=NC2c2ccco2)cc1)C(=O)[O-] ZINC000794872785 602068020 /nfs/dbraw/zinc/06/80/20/602068020.db2.gz LIKKWXBNIZOUEU-JTQLQIEISA-N -1 0 358.379 2.561 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccncc2Br)C(=O)[O-])cc1 ZINC000833072980 602102398 /nfs/dbraw/zinc/10/23/98/602102398.db2.gz UAADIOXJFBPOPV-CYBMUJFWSA-N -1 0 361.151 2.698 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)COC/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000833072766 602106951 /nfs/dbraw/zinc/10/69/51/602106951.db2.gz PZNSRAVQKRDGNM-QTWIXLPOSA-N -1 0 351.358 2.957 20 30 FFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc1)C(=O)[O-] ZINC000794699014 602108082 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2.556 20 30 FFEDRM N#Cc1cccnc1NCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833076861 602253512 /nfs/dbraw/zinc/25/35/12/602253512.db2.gz QIYUOLBCBIPZMD-UHFFFAOYSA-N -1 0 361.745 2.737 20 30 FFEDRM N#CCOc1cc(F)ccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000833067593 602283162 /nfs/dbraw/zinc/28/31/62/602283162.db2.gz GPRXZXPFEDOOBA-UHFFFAOYSA-N -1 0 357.341 2.790 20 30 FFEDRM COc1cc(C#N)ccc1OCc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000739853641 602409694 /nfs/dbraw/zinc/40/96/94/602409694.db2.gz WAPJAKREPDWWRZ-GFCCVEGCSA-N -1 0 360.370 2.884 20 30 FFEDRM CCN(CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)C(=O)[O-] ZINC000739434010 602472642 /nfs/dbraw/zinc/47/26/42/602472642.db2.gz KREYFCKQMHNOAY-UHFFFAOYSA-N -1 0 367.405 2.867 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000739053122 602482367 /nfs/dbraw/zinc/48/23/67/602482367.db2.gz WLKOMBYBBJZEGA-DYVFJYSZSA-N -1 0 359.426 2.658 20 30 FFEDRM CN(C[C@@H]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)C1)C(=O)[O-] ZINC000739635192 602493858 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N#Cc1ccc(OC(F)F)c(NC(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000740318651 602702916 /nfs/dbraw/zinc/70/29/16/602702916.db2.gz BIMOTJSWNGVHIV-UHFFFAOYSA-N -1 0 368.321 2.636 20 30 FFEDRM N#C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000831071188 602895602 /nfs/dbraw/zinc/89/56/02/602895602.db2.gz ZUIFGJSQVQLMDC-YPMHNXCESA-N -1 0 371.315 2.799 20 30 FFEDRM N#C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000831070099 602899739 /nfs/dbraw/zinc/89/97/39/602899739.db2.gz DMFHNRPVCDPBRT-ZDUSSCGKSA-N -1 0 355.316 2.776 20 30 FFEDRM CC(C)(CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)NC(=O)[O-] ZINC000738738408 602925295 /nfs/dbraw/zinc/92/52/95/602925295.db2.gz FQIRTGQWYBJKBW-GFCCVEGCSA-N -1 0 351.790 2.814 20 30 FFEDRM CC(C)(CCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)NC(=O)[O-] ZINC000738738410 602925356 /nfs/dbraw/zinc/92/53/56/602925356.db2.gz FQIRTGQWYBJKBW-LBPRGKRZSA-N -1 0 351.790 2.814 20 30 FFEDRM CC(C)(CCC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)[O-] ZINC000738740471 602926037 /nfs/dbraw/zinc/92/60/37/602926037.db2.gz SXOBMQUYTYZRGK-JTQLQIEISA-N -1 0 369.780 2.953 20 30 FFEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)OCc1ccc(C#N)cc1F ZINC000739969266 602939136 /nfs/dbraw/zinc/93/91/36/602939136.db2.gz NIHTVDVTPOEARZ-MRXNPFEDSA-N -1 0 358.325 2.758 20 30 FFEDRM C=CCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc(OC)c1OC ZINC000738504100 603009755 /nfs/dbraw/zinc/00/97/55/603009755.db2.gz YDVGMEYMMKUPQX-MQVJKMGUSA-N -1 0 374.437 2.836 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c1 ZINC000739211596 603038726 /nfs/dbraw/zinc/03/87/26/603038726.db2.gz ZATGWUWRBHLOIJ-OFQRWUPVSA-N -1 0 374.441 2.650 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739209463 603038963 /nfs/dbraw/zinc/03/89/63/603038963.db2.gz ONXGBKHLOJIRRZ-CVEARBPZSA-N -1 0 374.441 2.557 20 30 FFEDRM COCCN(CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000739821616 603091864 /nfs/dbraw/zinc/09/18/64/603091864.db2.gz JRPGMWJMYIQXFX-SFHVURJKSA-N -1 0 367.405 2.907 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2CN(C)C(=O)[O-])cc1OC ZINC000823516187 603161960 /nfs/dbraw/zinc/16/19/60/603161960.db2.gz BXRRVLMUJXVUPI-DZZUKKPASA-N -1 0 374.437 2.874 20 30 FFEDRM CCN(CCNC(=O)c1cccc(COc2ccccc2C#N)c1)C(=O)[O-] ZINC000739433969 603184675 /nfs/dbraw/zinc/18/46/75/603184675.db2.gz JLRBIKXMJPXDEQ-UHFFFAOYSA-N -1 0 367.405 2.867 20 30 FFEDRM CN(Cc1ccccc1NC(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-] ZINC000828400211 603330943 /nfs/dbraw/zinc/33/09/43/603330943.db2.gz TVZGOSRQJAYKAY-UHFFFAOYSA-N -1 0 368.393 2.869 20 30 FFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823463689 603350086 /nfs/dbraw/zinc/35/00/86/603350086.db2.gz UVTHSKXAIKSRLQ-QWHCGFSZSA-N -1 0 363.389 2.738 20 30 FFEDRM O=C([O-])Nc1ccc(C=NN2C(=S)N=NC2c2ccccc2F)cn1 ZINC000832841226 603486053 /nfs/dbraw/zinc/48/60/53/603486053.db2.gz SUQQPYJQAJJDMF-UHFFFAOYSA-N -1 0 358.358 2.740 20 30 FFEDRM Cn1cc(C#N)cc1C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000830985775 603520555 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FFEDRM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc3occc3c1[O-])CC2 ZINC001271018840 967965802 /nfs/dbraw/zinc/96/58/02/967965802.db2.gz DURGGYDUKIISSY-HNNXBMFYSA-N -1 0 354.406 2.683 20 30 FFEDRM O=C([O-])[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC1 ZINC000665302793 968064019 /nfs/dbraw/zinc/06/40/19/968064019.db2.gz ZONZJSYXYNKYML-HNNXBMFYSA-N -1 0 368.355 2.857 20 30 FFEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000892410536 968359271 /nfs/dbraw/zinc/35/92/71/968359271.db2.gz CMAXXPBHQYRYQU-UAPYVXQJSA-N -1 0 372.421 2.574 20 30 FFEDRM Cc1ccc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(C#N)cc3)ccc2n1 ZINC000179580172 968982724 /nfs/dbraw/zinc/98/27/24/968982724.db2.gz MQWPQAMVHKCGRR-UHFFFAOYSA-N -1 0 365.414 2.675 20 30 FFEDRM N#CC(=C([O-])c1ccc(CN2CCOCC2)o1)c1nc2ccccc2o1 ZINC000892552862 969473844 /nfs/dbraw/zinc/47/38/44/969473844.db2.gz FELPUBCNHSWNEB-CQSZACIVSA-N -1 0 351.362 2.743 20 30 FFEDRM C=CCCC1(CNC(=O)C(=O)NCc2cccc(C(=O)[O-])c2)CCCC1 ZINC000659658964 970101209 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2.739 20 30 FFEDRM N#CCCn1ncc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1-c1ccccc1 ZINC001605585480 973876043 /nfs/dbraw/zinc/87/60/43/973876043.db2.gz CHCRUFYRLGYFDA-OAHLLOKOSA-N -1 0 366.421 2.791 20 30 FFEDRM N#Cc1cc(NC(=O)C2(C(=O)[O-])CCSCC2)ccc1Br ZINC001605592043 973891922 /nfs/dbraw/zinc/89/19/22/973891922.db2.gz PRUJRRYDZVLLKV-UHFFFAOYSA-N -1 0 369.240 2.857 20 30 FFEDRM N#Cc1ccc(C2(C(=O)N[C@@H](Cc3ccncc3)C(=O)[O-])CCCC2)cc1 ZINC001605602048 973910547 /nfs/dbraw/zinc/91/05/47/973910547.db2.gz MZZRUGWLVFHIAL-SFHVURJKSA-N -1 0 363.417 2.577 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000663343380 975539554 /nfs/dbraw/zinc/53/95/54/975539554.db2.gz OXQRKXWNKSZDSK-AWEZNQCLSA-N -1 0 361.442 2.861 20 30 FFEDRM CC(C)[C@@H](C#N)NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001591829079 976090680 /nfs/dbraw/zinc/09/06/80/976090680.db2.gz CJHADRVVIBVEGP-SNVBAGLBSA-N -1 0 351.211 2.518 20 30 FFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@]1(C(=O)[O-])CCOC1 ZINC001592225760 977412690 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980770985 /nfs/dbraw/zinc/77/09/85/980770985.db2.gz BYQYOTPVONPMSS-MRXNPFEDSA-N -1 0 364.467 2.938 20 30 FFEDRM C#CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C)C(=O)[O-] ZINC000910053294 981790099 /nfs/dbraw/zinc/79/00/99/981790099.db2.gz FQAQVEQUAFGOGE-AWEZNQCLSA-N -1 0 368.437 2.578 20 30 FFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1cccc(C#N)c1Cl ZINC001594788180 981833927 /nfs/dbraw/zinc/83/39/27/981833927.db2.gz UFAISFMTCWDUNC-MRXNPFEDSA-N -1 0 370.858 2.866 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(OCc2ccccn2)cc1)C(=O)[O-] ZINC000910295810 981903083 /nfs/dbraw/zinc/90/30/83/981903083.db2.gz YANFGAFLPMLOSM-GOSISDBHSA-N -1 0 354.406 2.739 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c([N+](=O)[O-])c1 ZINC000130351704 982158165 /nfs/dbraw/zinc/15/81/65/982158165.db2.gz JOXYDORXSTUWBO-UHFFFAOYSA-N -1 0 370.346 2.922 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1COC1CCOCC1)C(=O)[O-] ZINC000910926025 982167016 /nfs/dbraw/zinc/16/70/16/982167016.db2.gz QDFSVDVSHQHMOZ-GOSISDBHSA-N -1 0 361.438 2.922 20 30 FFEDRM CC[C@H](C)C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001594940170 982612680 /nfs/dbraw/zinc/61/26/80/982612680.db2.gz YGIAPNCSKUDHSA-BJJXKVORSA-N -1 0 361.417 2.529 20 30 FFEDRM CCCNc1ccc(C#N)cc1NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001595935761 983068579 /nfs/dbraw/zinc/06/85/79/983068579.db2.gz GZPYXTNFGKTVMN-UHFFFAOYSA-N -1 0 355.398 2.694 20 30 FFEDRM C=C[C@@H](C)O[N-]C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC000911903359 983920092 /nfs/dbraw/zinc/92/00/92/983920092.db2.gz SRLSKYBWLNCZEI-CYBMUJFWSA-N -1 0 374.441 2.683 20 30 FFEDRM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000054702042 984225289 /nfs/dbraw/zinc/22/52/89/984225289.db2.gz GXAWBIJULVYRTJ-KRWDZBQOSA-N -1 0 353.334 2.509 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000165100657 984434437 /nfs/dbraw/zinc/43/44/37/984434437.db2.gz WLCKLPWPDBMSAB-UHFFFAOYSA-N -1 0 374.418 2.590 20 30 FFEDRM COc1cc(C=NNCc2cnc3ccccc3c2)cc([N+](=O)[O-])c1[O-] ZINC000764779214 984716861 /nfs/dbraw/zinc/71/68/61/984716861.db2.gz PDSRPPCLPHDCRE-UHFFFAOYSA-N -1 0 352.350 2.981 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599940916 985453117 /nfs/dbraw/zinc/45/31/17/985453117.db2.gz XZDMRSIAMPRAHM-UHFFFAOYSA-N -1 0 371.368 2.993 20 30 FFEDRM Cc1[nH]c(C(=O)CN2CCC(c3ccc(C#N)cn3)CC2)c(C)c1C(=O)[O-] ZINC001599944242 985496737 /nfs/dbraw/zinc/49/67/37/985496737.db2.gz DAZJHHJPFKJVAI-UHFFFAOYSA-N -1 0 366.421 2.659 20 30 FFEDRM C[C@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@H](C)N1CC#N ZINC001594477080 985497209 /nfs/dbraw/zinc/49/72/09/985497209.db2.gz DTQAHLUJNFRMMD-UWVGGRQHSA-N -1 0 368.796 2.627 20 30 FFEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(C#N)c(Cl)c1 ZINC001596912309 985917143 /nfs/dbraw/zinc/91/71/43/985917143.db2.gz CNQQMUHKIXEQFX-LBPRGKRZSA-N -1 0 352.818 2.801 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000173888179 986010575 /nfs/dbraw/zinc/01/05/75/986010575.db2.gz 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C=C(C)C[C@@H](NC(=O)Cc1ccccc1OCc1ccncc1)C(=O)[O-] ZINC001588542211 1080087836 /nfs/dbraw/zinc/08/78/36/1080087836.db2.gz CUBLRSCXEGUNOW-QGZVFWFLSA-N -1 0 354.406 2.739 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)C(=O)[O-] ZINC001588547087 1080090328 /nfs/dbraw/zinc/09/03/28/1080090328.db2.gz SVKGVZZNPPUBMZ-QGZVFWFLSA-N -1 0 353.374 2.772 20 30 FFEDRM C=C(C)C[C@H](NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C)C(=O)[O-] ZINC001588555330 1080093506 /nfs/dbraw/zinc/09/35/06/1080093506.db2.gz FRQNRTRSGHPDGV-AWEZNQCLSA-N -1 0 364.423 2.656 20 30 FFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001588567353 1080101105 /nfs/dbraw/zinc/10/11/05/1080101105.db2.gz KGAFKISQUZRULB-UHFFFAOYSA-N -1 0 360.418 2.506 20 30 FFEDRM C=C(C)Cn1c(-c2ccc3n[nH]cc3c2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588578743 1080106254 /nfs/dbraw/zinc/10/62/54/1080106254.db2.gz OYXQNJQQLFQADL-IBGZPJMESA-N -1 0 366.425 2.699 20 30 FFEDRM C=C(C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001588579125 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370.405 2.718 20 30 FFEDRM Cc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(=O)C2CC2)cc1F ZINC000738268101 600017711 /nfs/dbraw/zinc/01/77/11/600017711.db2.gz ZLGSLDZHZVBQBU-INIZCTEOSA-N -1 0 372.396 2.928 20 30 FFEDRM Cc1c(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cccc1C(=O)[O-] ZINC000738306608 600050010 /nfs/dbraw/zinc/05/00/10/600050010.db2.gz XIWPNFUIQWXCIT-UHFFFAOYSA-N -1 0 361.361 2.585 20 30 FFEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738026286 600056744 /nfs/dbraw/zinc/05/67/44/600056744.db2.gz LWLNDQBJZVRXCF-OAHLLOKOSA-N -1 0 353.334 2.746 20 30 FFEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000736093734 600061605 /nfs/dbraw/zinc/06/16/05/600061605.db2.gz ZGQZSZPLDHZGBH-OAHLLOKOSA-N -1 0 373.206 2.771 20 30 FFEDRM Cc1cccc(C[C@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)C(=O)[O-])c1 ZINC000237680375 600066679 /nfs/dbraw/zinc/06/66/79/600066679.db2.gz KOBXTJSVXORWQB-MAUKXSAKSA-N -1 0 366.417 2.694 20 30 FFEDRM N#CCc1ccc(NC(=O)COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 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ZINC000739107909 600618809 /nfs/dbraw/zinc/61/88/09/600618809.db2.gz CRSARZDRKCOEDO-IEBWSBKVSA-N -1 0 351.358 2.931 20 30 FFEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000314749127 600692843 /nfs/dbraw/zinc/69/28/43/600692843.db2.gz TUIBVNBZAUCLAL-UHFFFAOYSA-N -1 0 360.844 2.805 20 30 FFEDRM C/C(=C/CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)[O-] ZINC000825793747 600726588 /nfs/dbraw/zinc/72/65/88/600726588.db2.gz ZROHSKWYEZXYPT-XFFZJAGNSA-N -1 0 368.418 2.911 20 30 FFEDRM COc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000832330387 600779754 /nfs/dbraw/zinc/77/97/54/600779754.db2.gz PJSSNNIDPRKKPA-LBPRGKRZSA-N -1 0 353.378 2.825 20 30 FFEDRM COc1ccccc1CN1C(=O)N[C@@H](c2ccc(C#N)o2)C(C(=O)[O-])=C1C ZINC000832613131 600784096 /nfs/dbraw/zinc/78/40/96/600784096.db2.gz IMOUFSIXUMMBRI-KRWDZBQOSA-N -1 0 367.361 2.785 20 30 FFEDRM O=C([O-])c1occc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000739214007 600983527 /nfs/dbraw/zinc/98/35/27/600983527.db2.gz BKJZVWJYOZLUER-ZZXKWVIFSA-N -1 0 370.329 2.913 20 30 FFEDRM N#Cc1cccc(-c2nnc(CN3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000833074355 600987912 /nfs/dbraw/zinc/98/79/12/600987912.db2.gz WJCCMXKKBNXJCD-BPUTZDHNSA-N -1 0 352.394 2.826 20 30 FFEDRM CCOC(=O)c1sc2cccc(F)c2c1CN(CC#N)CC(=O)[O-] ZINC000829895828 601004679 /nfs/dbraw/zinc/00/46/79/601004679.db2.gz XWJBDVPTNVHRPD-UHFFFAOYSA-N -1 0 350.371 2.627 20 30 FFEDRM N#C[C@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000833065123 601006365 /nfs/dbraw/zinc/00/63/65/601006365.db2.gz SHNXEUSQEVGJDP-MOPGFXCFSA-N -1 0 353.397 2.834 20 30 FFEDRM C=CCSc1ccccc1NC(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000825702109 601023722 /nfs/dbraw/zinc/02/37/22/601023722.db2.gz DXLLLJCRAAUUDY-ZDUSSCGKSA-N -1 0 366.508 2.795 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736701328 601040175 /nfs/dbraw/zinc/04/01/75/601040175.db2.gz UREXBJONGYGICL-SNVBAGLBSA-N -1 0 357.391 2.676 20 30 FFEDRM COc1cc(C(=O)[O-])cc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1OC ZINC000831891803 601080826 /nfs/dbraw/zinc/08/08/26/601080826.db2.gz ILRBRDCIZCHDCQ-UHFFFAOYSA-N -1 0 369.377 2.938 20 30 FFEDRM COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000831411468 601107680 /nfs/dbraw/zinc/10/76/80/601107680.db2.gz ZRSZQEAHUBWFSA-LLVKDONJSA-N -1 0 367.361 2.926 20 30 FFEDRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)N(CCC#N)c1ccccc1 ZINC000827818851 601181309 /nfs/dbraw/zinc/18/13/09/601181309.db2.gz WBZOTKJJUQBTTK-XHSDSOJGSA-N -1 0 372.421 2.756 20 30 FFEDRM CCOc1ccc(C[C@H](CNC(=O)c2ccc(C#N)s2)C(=O)[O-])cc1 ZINC000830070683 601280904 /nfs/dbraw/zinc/28/09/04/601280904.db2.gz FISLQWNHEXDSCT-CYBMUJFWSA-N -1 0 358.419 2.692 20 30 FFEDRM N#Cc1cccc([C@@H](Nc2cc(F)cc(N3CCOCC3)c2)C(=O)[O-])c1 ZINC000833075657 601303657 /nfs/dbraw/zinc/30/36/57/601303657.db2.gz MXFWIXWSQWOOFH-GOSISDBHSA-N -1 0 355.369 2.772 20 30 FFEDRM COC(=O)N(C)Cc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831198516 601305554 /nfs/dbraw/zinc/30/55/54/601305554.db2.gz KXEXGOBHYVYEGL-QGZVFWFLSA-N -1 0 353.378 2.994 20 30 FFEDRM Cc1ccc(N2CCC[C@H](N[C@H](C(=O)[O-])c3cccc(C#N)c3)C2=O)cc1 ZINC000832937970 601306114 /nfs/dbraw/zinc/30/61/14/601306114.db2.gz CXEJXTHVUCFRBH-OALUTQOASA-N -1 0 363.417 2.778 20 30 FFEDRM CCc1nc(CN2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cs1 ZINC000830318076 601312857 /nfs/dbraw/zinc/31/28/57/601312857.db2.gz MDLQQXPWSIKSMC-GOSISDBHSA-N -1 0 370.478 2.521 20 30 FFEDRM COc1cc(F)ccc1N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832011217 601319117 /nfs/dbraw/zinc/31/91/17/601319117.db2.gz SISJRSIEWSJGGT-LJQANCHMSA-N -1 0 369.396 2.654 20 30 FFEDRM COc1cc(OC)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832030223 601345056 /nfs/dbraw/zinc/34/50/56/601345056.db2.gz HRLQNTMAUDJYAY-QGZVFWFLSA-N -1 0 371.345 2.567 20 30 FFEDRM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828701064 601351761 /nfs/dbraw/zinc/35/17/61/601351761.db2.gz XKRGDRGWAPLTBE-XKQJLSEDSA-N 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ZINC000833072981 601541923 /nfs/dbraw/zinc/54/19/23/601541923.db2.gz BVVXXEYZYDLINI-WMZOPIPTSA-N -1 0 355.438 2.852 20 30 FFEDRM COc1cc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000831962258 601607609 /nfs/dbraw/zinc/60/76/09/601607609.db2.gz YAVSANYPHVNBFP-KRWDZBQOSA-N -1 0 355.346 2.867 20 30 FFEDRM Cc1cc(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)[nH]n1 ZINC000832882775 601648453 /nfs/dbraw/zinc/64/84/53/601648453.db2.gz BVLWOFJAURLYNJ-UHFFFAOYSA-N -1 0 359.385 2.997 20 30 FFEDRM C[C@@H]1CCN(c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccn2)C1 ZINC000828303252 601683143 /nfs/dbraw/zinc/68/31/43/601683143.db2.gz NQSALIOECGGUMJ-FZKQIMNGSA-N -1 0 365.389 2.782 20 30 FFEDRM Cc1nc(=O)[nH]c(SCc2ccc(C#N)cc2OC(F)F)c1C(=O)[O-] ZINC000832842982 601782851 /nfs/dbraw/zinc/78/28/51/601782851.db2.gz NPQQLKWVAWRARM-UHFFFAOYSA-N -1 0 367.333 2.954 20 30 FFEDRM Cc1c(C(=O)[O-])sc2[nH]c(CN(CCC#N)Cc3ccco3)nc(=O)c12 ZINC000832853519 601799537 /nfs/dbraw/zinc/79/95/37/601799537.db2.gz ZGRFEFZJQSVRQF-UHFFFAOYSA-N -1 0 372.406 2.500 20 30 FFEDRM C#CCOc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000730996604 601829502 /nfs/dbraw/zinc/82/95/02/601829502.db2.gz UADJWRBPMIEZES-UHFFFAOYSA-N -1 0 365.794 2.851 20 30 FFEDRM C=CCN1C(=O)N=NC1SCCOc1ccc(C(=O)[O-])cc1Cl ZINC000825711347 601865393 /nfs/dbraw/zinc/86/53/93/601865393.db2.gz ZXGHHISZJSPJSV-UHFFFAOYSA-N -1 0 355.803 2.692 20 30 FFEDRM C=CCn1c(Cc2ccccc2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825710771 601893046 /nfs/dbraw/zinc/89/30/46/601893046.db2.gz AKDWGASGEXTBIO-IBGZPJMESA-N -1 0 372.494 2.945 20 30 FFEDRM C[C@@H](Oc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794696894 602106642 /nfs/dbraw/zinc/10/66/42/602106642.db2.gz WKABPJUSHNPRNE-HLVNSREUSA-N -1 0 372.398 2.592 20 30 FFEDRM C=CCn1c(-c2cccs2)nn(CN2CC[C@H](C(=O)[O-])C2)c1=S ZINC000817690346 602188038 /nfs/dbraw/zinc/18/80/38/602188038.db2.gz YBGRQDXMYVJRBL-NSHDSACASA-N -1 0 350.469 2.693 20 30 FFEDRM CN(Cc1cccc(C#N)c1)C(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739712511 602230639 /nfs/dbraw/zinc/23/06/39/602230639.db2.gz CFCDWQKMKGAGGU-UHFFFAOYSA-N -1 0 366.421 2.947 20 30 FFEDRM O=C([O-])C1=C(C(=O)C2CC2)[C@H](c2cc3ccccc3s2)NC(=S)N1 ZINC000833177139 602232580 /nfs/dbraw/zinc/23/25/80/602232580.db2.gz KNOZYJSCVQZXBZ-ZDUSSCGKSA-N -1 0 358.444 2.738 20 30 FFEDRM C#Cc1cccc(NC(=S)NCc2ccc(CCNC(=O)[O-])cc2)c1 ZINC000738469919 602233957 /nfs/dbraw/zinc/23/39/57/602233957.db2.gz FNMPVNQHOOOETC-UHFFFAOYSA-N -1 0 353.447 2.965 20 30 FFEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738490900 602257194 /nfs/dbraw/zinc/25/71/94/602257194.db2.gz FCFFXLHEHYQIGX-UHFFFAOYSA-N -1 0 353.378 2.622 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739057003 602273819 /nfs/dbraw/zinc/27/38/19/602273819.db2.gz STLQJRXNJPLIFA-CYBMUJFWSA-N -1 0 369.377 2.611 20 30 FFEDRM C#CCCCCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000825600279 602290536 /nfs/dbraw/zinc/29/05/36/602290536.db2.gz FZZXOWGQYYQCJQ-UHFFFAOYSA-N -1 0 362.451 2.573 20 30 FFEDRM COc1cc(C(=O)[O-])sc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000831949763 602328196 /nfs/dbraw/zinc/32/81/96/602328196.db2.gz DWAHLFXYUFDDQG-UHFFFAOYSA-N -1 0 373.795 2.748 20 30 FFEDRM CN(CC1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1)C(=O)[O-] ZINC000739650829 602391564 /nfs/dbraw/zinc/39/15/64/602391564.db2.gz QPSSVDUGENNMOE-UHFFFAOYSA-N -1 0 361.446 2.968 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000739053195 602430090 /nfs/dbraw/zinc/43/00/90/602430090.db2.gz XMHBZPFYEISUAZ-NJSLBKSFSA-N -1 0 359.426 2.658 20 30 FFEDRM N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCCCN2C(=O)[O-])c1 ZINC000740322842 602461103 /nfs/dbraw/zinc/46/11/03/602461103.db2.gz IKNPBQLPJTUOEF-MRXNPFEDSA-N -1 0 359.426 2.756 20 30 FFEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739494472 602468199 /nfs/dbraw/zinc/46/81/99/602468199.db2.gz MJWDGUOQXCJNMJ-GFCCVEGCSA-N -1 0 360.414 2.857 20 30 FFEDRM C[C@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)NC(=O)[O-] ZINC000738907426 602495213 /nfs/dbraw/zinc/49/52/13/602495213.db2.gz TXTQUMUQCSMDGU-GFCCVEGCSA-N -1 0 354.366 2.522 20 30 FFEDRM N#Cc1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000740315476 602504364 /nfs/dbraw/zinc/50/43/64/602504364.db2.gz JLZJLTWVPXHROP-UHFFFAOYSA-N -1 0 358.741 2.879 20 30 FFEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000738279733 602534233 /nfs/dbraw/zinc/53/42/33/602534233.db2.gz IBWBDZLKRUUQKS-INIZCTEOSA-N -1 0 372.469 2.704 20 30 FFEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCC(N(C)C(=O)[O-])CC2)c1C ZINC000738309964 602536616 /nfs/dbraw/zinc/53/66/16/602536616.db2.gz FJLBBCAMXYOVCC-UHFFFAOYSA-N -1 0 372.469 2.624 20 30 FFEDRM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739042637 602550191 /nfs/dbraw/zinc/55/01/91/602550191.db2.gz KAKORIMPVMJLRQ-QGHHPUGFSA-N -1 0 365.361 2.515 20 30 FFEDRM N#CCOc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740309736 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ZINC000123132183 1012385033 /nfs/dbraw/zinc/38/50/33/1012385033.db2.gz NSNXNUUVUALOJN-CQSZACIVSA-N -1 0 361.361 2.553 20 30 FFEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000123172270 1012433539 /nfs/dbraw/zinc/43/35/39/1012433539.db2.gz GDOBVYLYTAASCN-GFCCVEGCSA-N -1 0 354.366 2.831 20 30 FFEDRM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870691551 1012526775 /nfs/dbraw/zinc/52/67/75/1012526775.db2.gz QQIVYZJWZVWJBE-ZFWWWQNUSA-N -1 0 363.389 2.563 20 30 FFEDRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870691861 1012528272 /nfs/dbraw/zinc/52/82/72/1012528272.db2.gz SETRIHYJBCWRIS-BEFAXECRSA-N -1 0 357.410 2.615 20 30 FFEDRM C=CCCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000678976518 1017850240 /nfs/dbraw/zinc/85/02/40/1017850240.db2.gz YOWSZZOZECMDMA-ZDUSSCGKSA-N -1 0 356.216 2.674 20 30 FFEDRM C=CCn1ncc2ccc(NC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc21 ZINC000926215225 1018033193 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C=CCN(C(=O)Nc1ccnn1C1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000900352465 1020381732 /nfs/dbraw/zinc/38/17/32/1020381732.db2.gz IWKMJQOFNJTNGV-INIZCTEOSA-N -1 0 354.410 2.934 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2oc3ccccc3c2CO)n1 ZINC000726016416 1020394928 /nfs/dbraw/zinc/39/49/28/1020394928.db2.gz WCOWYKQAKTZLAT-GFCCVEGCSA-N -1 0 370.386 2.723 20 30 FFEDRM N#CCc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001116663070 1021341314 /nfs/dbraw/zinc/34/13/14/1021341314.db2.gz JQBUHKVHPGQKGY-UHFFFAOYSA-N -1 0 352.318 2.530 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccncc3)s2)ccc1C#N ZINC001116825108 1021438616 /nfs/dbraw/zinc/43/86/16/1021438616.db2.gz KDXVXFKKDVCPHN-UHFFFAOYSA-N -1 0 357.420 2.581 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1-c1ccc(Cl)cc1 ZINC000778317106 1021617806 /nfs/dbraw/zinc/61/78/06/1021617806.db2.gz LCLMUQBVWNMFNT-CQSZACIVSA-N -1 0 367.796 2.773 20 30 FFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1sccc1Br ZINC001117356865 1021664907 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359.385 2.762 20 30 FFEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccc2c(c1)CCC(=O)N2 ZINC000048612523 1022763867 /nfs/dbraw/zinc/76/38/67/1022763867.db2.gz MCVQBAKJSGXNOK-UHFFFAOYSA-N -1 0 370.430 2.754 20 30 FFEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(N)c2ccccc2n1 ZINC001122416117 1023254605 /nfs/dbraw/zinc/25/46/05/1023254605.db2.gz UCDPYQIIPLGGHD-CYBMUJFWSA-N -1 0 363.377 2.584 20 30 FFEDRM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)nnn1Cc1ccc(F)cc1F ZINC001122720704 1023432665 /nfs/dbraw/zinc/43/26/65/1023432665.db2.gz MHTHNOQVGKRNIX-CYBMUJFWSA-N -1 0 371.322 2.937 20 30 FFEDRM CCC[C@@H](C)N(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C[C@H]1CCCO1 ZINC001122786892 1023472869 /nfs/dbraw/zinc/47/28/69/1023472869.db2.gz CFYGAMHBWHTLJK-CZUORRHYSA-N -1 0 370.457 2.721 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1oc(C)nc1C ZINC000755615547 1023615296 /nfs/dbraw/zinc/61/52/96/1023615296.db2.gz SDGOLOYGEACVAF-GFCCVEGCSA-N -1 0 357.366 2.618 20 30 FFEDRM COC(=O)c1cccc(CO[N-]C(=O)C(C)(C)c2ccccc2)c1C#N 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CCC(F)(F)CNC(=O)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000627849416 523157506 /nfs/dbraw/zinc/15/75/06/523157506.db2.gz HTQDVJIYNFAJBR-SNVBAGLBSA-N -1 0 374.256 2.846 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)c1C#N ZINC000508771315 561772333 /nfs/dbraw/zinc/77/23/33/561772333.db2.gz XNADOOWSTXTVAV-UHFFFAOYSA-N -1 0 362.180 2.730 20 30 FFEDRM COc1ccc(OC)c(CN(C(=O)N=c2[n-]n(C)cc2C#N)C2CC2)c1 ZINC000610561123 554528528 /nfs/dbraw/zinc/52/85/28/554528528.db2.gz FRYSQOVFNCKCKL-UHFFFAOYSA-N -1 0 355.398 2.505 20 30 FFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000518315064 562108520 /nfs/dbraw/zinc/10/85/20/562108520.db2.gz PHRACODHTGFNTE-CQSZACIVSA-N -1 0 373.420 2.618 20 30 FFEDRM COc1cccc(F)c1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000737132677 599149217 /nfs/dbraw/zinc/14/92/17/599149217.db2.gz PWWYVCDNFFTNQM-UHFFFAOYSA-N -1 0 359.365 2.962 20 30 FFEDRM CCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)c1c(C)nn(C)c1C ZINC000736301839 599149862 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361.785 2.924 20 30 FFEDRM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000821336119 598159664 /nfs/dbraw/zinc/15/96/64/598159664.db2.gz LRPNDMHWBCSESJ-UHFFFAOYSA-N -1 0 358.737 2.705 20 30 FFEDRM COc1ccccc1C1N=NC(=S)N1N=Cc1cccc(C(=O)[O-])c1 ZINC000814729949 598201031 /nfs/dbraw/zinc/20/10/31/598201031.db2.gz GVYIJXGQILCFRO-UHFFFAOYSA-N -1 0 354.391 2.823 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000819857206 598223233 /nfs/dbraw/zinc/22/32/33/598223233.db2.gz UQPMIHVJBCVPQO-QGZVFWFLSA-N -1 0 357.391 2.943 20 30 FFEDRM C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000820115880 598224492 /nfs/dbraw/zinc/22/44/92/598224492.db2.gz ZYQOMZJGAANPTB-JLTOFOAXSA-N -1 0 367.405 2.842 20 30 FFEDRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820959070 598225683 /nfs/dbraw/zinc/22/56/83/598225683.db2.gz HZNKPCMPURHCFO-JLTOFOAXSA-N -1 0 371.437 2.953 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 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350.374 2.940 20 30 FFEDRM COc1ccc(N=C2NN=C(c3[nH]c(C)c(C(=O)[O-])c3C)[C@@H](C)S2)cn1 ZINC000738041123 599858532 /nfs/dbraw/zinc/85/85/32/599858532.db2.gz XCCNNJDIMRFPIO-SNVBAGLBSA-N -1 0 373.438 2.850 20 30 FFEDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)Nc1cccc(C#N)c1 ZINC000736700633 599870079 /nfs/dbraw/zinc/87/00/79/599870079.db2.gz XOVGEBNFDPXUJL-NSHDSACASA-N -1 0 353.334 2.832 20 30 FFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000739123228 599883711 /nfs/dbraw/zinc/88/37/11/599883711.db2.gz OIELALJIYUTIAE-GOSISDBHSA-N -1 0 350.374 2.969 20 30 FFEDRM N#Cc1ccc(SCC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000739131662 599913064 /nfs/dbraw/zinc/91/30/64/599913064.db2.gz DPNQAQFSVROLRV-INIZCTEOSA-N -1 0 354.387 2.529 20 30 FFEDRM Cc1ccc(C2=C(C(=O)C(=O)[O-])[C@@H](c3cccc(C)c3)NC(=S)N2)cc1 ZINC000738581112 599993117 /nfs/dbraw/zinc/99/31/17/599993117.db2.gz BSCXQPWXWGISJM-QGZVFWFLSA-N -1 0 366.442 2.887 20 30 FFEDRM O=C([O-])C(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1cccc(F)c1 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ZINC000739053119 602482316 /nfs/dbraw/zinc/48/23/16/602482316.db2.gz WLKOMBYBBJZEGA-CXAGYDPISA-N -1 0 359.426 2.658 20 30 FFEDRM CN(C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1)C(=O)[O-] ZINC000739649821 602497632 /nfs/dbraw/zinc/49/76/32/602497632.db2.gz HICYHXYPDAACHB-MRXNPFEDSA-N -1 0 359.426 2.566 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])o1 ZINC000740323756 602579018 /nfs/dbraw/zinc/57/90/18/602579018.db2.gz QOUPXYPYGDJXIG-CQSZACIVSA-N -1 0 369.377 2.602 20 30 FFEDRM Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000740064135 602586961 /nfs/dbraw/zinc/58/69/61/602586961.db2.gz YRMSELGQXUPDQW-QGZVFWFLSA-N -1 0 366.421 2.838 20 30 FFEDRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000738931264 602606467 /nfs/dbraw/zinc/60/64/67/602606467.db2.gz GNWNSXDGUKMALO-CQSZACIVSA-N -1 0 352.394 2.601 20 30 FFEDRM N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccc(OC(F)(F)F)cc1 ZINC000738422058 602676538 /nfs/dbraw/zinc/67/65/38/602676538.db2.gz HLIWEOKTHFATBE-WCQYABFASA-N -1 0 371.315 2.656 20 30 FFEDRM CN(CCCC(=O)N[C@H](C#N)c1ccccc1Br)C(=O)[O-] ZINC000737418769 602850195 /nfs/dbraw/zinc/85/01/95/602850195.db2.gz RFUCRWYRXPRDNG-GFCCVEGCSA-N -1 0 354.204 2.520 20 30 FFEDRM CCN(CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000739384622 602864324 /nfs/dbraw/zinc/86/43/24/602864324.db2.gz JTKHAZHVZKPTHO-VIFPVBQESA-N -1 0 358.181 2.641 20 30 FFEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)OCc1ccc(F)cc1C#N ZINC000739968956 602939216 /nfs/dbraw/zinc/93/92/16/602939216.db2.gz LXTOCCUQVUXGHH-MRXNPFEDSA-N -1 0 358.325 2.758 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739208122 603034588 /nfs/dbraw/zinc/03/45/88/603034588.db2.gz ILVIBRBEYGAYCT-UYSNPLJNSA-N -1 0 359.426 2.810 20 30 FFEDRM Cc1nc(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])sc1SCC#N ZINC000740219931 603119565 /nfs/dbraw/zinc/11/95/65/603119565.db2.gz GKWPZDPFCOWDHG-DTWKUNHWSA-N -1 0 370.456 2.509 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])o1 ZINC000831156540 603127335 /nfs/dbraw/zinc/12/73/35/603127335.db2.gz BKWABKWPZIVEJF-CQSZACIVSA-N -1 0 369.377 2.602 20 30 FFEDRM CN(C(=O)[O-])C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000827895081 603187903 /nfs/dbraw/zinc/18/79/03/603187903.db2.gz MSTIWEMTWRLPTH-UHFFFAOYSA-N -1 0 355.354 2.593 20 30 FFEDRM N#Cc1cc(N[C@@H]2CCC[C@@H]2CNC(=O)[O-])nc2ccc([N+](=O)[O-])cc12 ZINC000831117647 603196656 /nfs/dbraw/zinc/19/66/56/603196656.db2.gz BMRYHRPOADFVOW-QMTHXVAHSA-N -1 0 355.354 2.863 20 30 FFEDRM Cc1cc(C(=O)N(C)CCCNC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000740053039 603240148 /nfs/dbraw/zinc/24/01/48/603240148.db2.gz RBFRWBSVKUASOX-UHFFFAOYSA-N -1 0 354.410 2.696 20 30 FFEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739037720 603244364 /nfs/dbraw/zinc/24/43/64/603244364.db2.gz SEXNRDYHMDCGHN-ORAYPTAESA-N -1 0 358.442 2.578 20 30 FFEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1C(=O)[O-] ZINC000826014186 603316281 /nfs/dbraw/zinc/31/62/81/603316281.db2.gz JUURPDJOAOMKSY-HNNXBMFYSA-N -1 0 364.405 2.697 20 30 FFEDRM C#CCOc1cc(F)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823463705 603348237 /nfs/dbraw/zinc/34/82/37/603348237.db2.gz VPHYEDIQWLIXNW-AGUYFDCRSA-N -1 0 361.373 2.633 20 30 FFEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000823462984 603349544 /nfs/dbraw/zinc/34/95/44/603349544.db2.gz IPZGPUINMHOSIF-ZDUSSCGKSA-N -1 0 363.389 2.691 20 30 FFEDRM N#Cc1ccc(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1C(F)(F)F ZINC000831136843 603357026 /nfs/dbraw/zinc/35/70/26/603357026.db2.gz KSEWTWBXSJQRJQ-VIFPVBQESA-N -1 0 356.304 2.698 20 30 FFEDRM C[C@H](NC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccc(C#N)cc1 ZINC000738947169 603387660 /nfs/dbraw/zinc/38/76/60/603387660.db2.gz UWFCIYAKJQSKPD-JTQLQIEISA-N -1 0 370.340 2.603 20 30 FFEDRM N#Cc1cc(NCc2ccc(NC(=O)[O-])nc2)ccc1N1CCC(O)CC1 ZINC000831118070 603558490 /nfs/dbraw/zinc/55/84/90/603558490.db2.gz LJHGAACYLBGVEA-UHFFFAOYSA-N -1 0 367.409 2.616 20 30 FFEDRM COC(=O)[C@@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccc(C#N)c1 ZINC000828611672 603565338 /nfs/dbraw/zinc/56/53/38/603565338.db2.gz DJQGPSQFCDLDPA-SFHVURJKSA-N -1 0 365.389 2.921 20 30 FFEDRM CN(CC(C)(C)CNC(=O)[O-])c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000828154751 603579014 /nfs/dbraw/zinc/57/90/14/603579014.db2.gz OXHMIPLWIVNTJC-UHFFFAOYSA-N -1 0 357.370 2.745 20 30 FFEDRM CN(C[C@H]1CCCN1CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(=O)[O-] ZINC000828218263 603579306 /nfs/dbraw/zinc/57/93/06/603579306.db2.gz IGYDSRHMSBZMLK-OLZOCXBDSA-N -1 0 372.450 2.547 20 30 FFEDRM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cccc(NC(=O)[O-])c2)C1=O ZINC000831156823 603612974 /nfs/dbraw/zinc/61/29/74/603612974.db2.gz LTNAMKIBWXYHEF-ZDUSSCGKSA-N -1 0 371.374 2.672 20 30 FFEDRM Cc1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC000829914727 603716945 /nfs/dbraw/zinc/71/69/45/603716945.db2.gz VQIRUUZUGLPSMF-QGZVFWFLSA-N -1 0 366.421 2.790 20 30 FFEDRM CC(C)[C@H](CCN(C)Cc1nnc(-c2cccc(C#N)c2)o1)NC(=O)[O-] ZINC000824105427 603823380 /nfs/dbraw/zinc/82/33/80/603823380.db2.gz VHEWRQFGUYKTOK-HNNXBMFYSA-N -1 0 357.414 2.722 20 30 FFEDRM C[C@H](NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000825162119 603889964 /nfs/dbraw/zinc/88/99/64/603889964.db2.gz QTPWGWMSVSRNFB-GUYCJALGSA-N -1 0 352.394 2.927 20 30 FFEDRM N#Cc1cccc(CNC(=O)CN2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000831146551 603911317 /nfs/dbraw/zinc/91/13/17/603911317.db2.gz ULOONSOAOFWRIE-UHFFFAOYSA-N -1 0 364.405 2.569 20 30 FFEDRM N#C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cccc(Br)c1 ZINC000831070250 603963792 /nfs/dbraw/zinc/96/37/92/603963792.db2.gz HTWPHTVOHRYJCY-RTXFEEFZSA-N -1 0 366.215 2.566 20 30 FFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823647986 604002376 /nfs/dbraw/zinc/00/23/76/604002376.db2.gz PCJPCSCJWKWLQO-MEDUHNTESA-N -1 0 351.403 2.969 20 30 FFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000831082827 604081743 /nfs/dbraw/zinc/08/17/43/604081743.db2.gz RVWPRTXATPBJFR-HNNXBMFYSA-N -1 0 353.378 2.594 20 30 FFEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(F)c(NC(=O)[O-])c3)nc21 ZINC000830610868 604189819 /nfs/dbraw/zinc/18/98/19/604189819.db2.gz CVOPISFSZHHGSU-JTQLQIEISA-N -1 0 353.313 2.985 20 30 FFEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831066799 604220247 /nfs/dbraw/zinc/22/02/47/604220247.db2.gz YZJCGLWEWNBHPR-HONMWMINSA-N -1 0 363.801 2.814 20 30 FFEDRM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823711518 604226795 /nfs/dbraw/zinc/22/67/95/604226795.db2.gz CTRMQASDUWJPFX-CQSZACIVSA-N -1 0 370.453 2.740 20 30 FFEDRM CC(C)=CCC[C@@]1(C)NC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC000833462733 604548497 /nfs/dbraw/zinc/54/84/97/604548497.db2.gz QSNZMJRHAIXFEA-LJQANCHMSA-N -1 0 355.394 2.813 20 30 FFEDRM CC(C)(C)OC(=O)NC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833439579 604614766 /nfs/dbraw/zinc/61/47/66/604614766.db2.gz VFQLBDZIZQWJQR-UHFFFAOYSA-N -1 0 359.426 2.746 20 30 FFEDRM C#CCOCCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833364482 604619388 /nfs/dbraw/zinc/61/93/88/604619388.db2.gz SDAGWPDVPNZRPS-UHFFFAOYSA-N -1 0 360.591 2.779 20 30 FFEDRM C#CC[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000833363057 604635213 /nfs/dbraw/zinc/63/52/13/604635213.db2.gz YNNPINDJRJRWFT-HNNXBMFYSA-N -1 0 367.361 2.586 20 30 FFEDRM C#CC[C@@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)c1ccccc1 ZINC000833360420 604657738 /nfs/dbraw/zinc/65/77/38/604657738.db2.gz IAGUILYRMGVNKW-CYBMUJFWSA-N -1 0 358.423 2.832 20 30 FFEDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC000827854144 604850091 /nfs/dbraw/zinc/85/00/91/604850091.db2.gz QKOHPUOHTHJAEZ-SNVBAGLBSA-N -1 0 356.309 2.580 20 30 FFEDRM CC1(C)c2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2NC1=O ZINC000828046008 604863256 /nfs/dbraw/zinc/86/32/56/604863256.db2.gz IKEHZTGCNJHVLE-INIZCTEOSA-N -1 0 364.357 2.771 20 30 FFEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1 ZINC000833411243 604910217 /nfs/dbraw/zinc/91/02/17/604910217.db2.gz OCLLSSQDGUSARI-KUHUBIRLSA-N -1 0 352.390 2.710 20 30 FFEDRM C#Cc1cccc(N(CC)C[C@H](O)COc2ccc(C(=O)[O-])cc2OC)c1 ZINC000833368856 604947560 /nfs/dbraw/zinc/94/75/60/604947560.db2.gz VZQNDHBLJILPJT-SFHVURJKSA-N -1 0 369.417 2.641 20 30 FFEDRM CC(C)CCN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833483904 605001608 /nfs/dbraw/zinc/00/16/08/605001608.db2.gz SVXJPCNYHLPBHB-UHFFFAOYSA-N -1 0 358.847 2.989 20 30 FFEDRM C[C@H](C(=O)[O-])n1cccc1C=Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000833406559 605038101 /nfs/dbraw/zinc/03/81/01/605038101.db2.gz NQGQGBPNSSJJBK-LLVKDONJSA-N -1 0 370.434 2.666 20 30 FFEDRM C=CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1[C@H]1COc2ccccc2O1 ZINC000833380842 605070359 /nfs/dbraw/zinc/07/03/59/605070359.db2.gz QGWIDVYGCZLZKS-HUUCEWRRSA-N -1 0 373.434 2.932 20 30 FFEDRM N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](NC(=O)[O-])C3)cn2)c1 ZINC000740323033 605084504 /nfs/dbraw/zinc/08/45/04/605084504.db2.gz KLIQRDCVKRXLIT-AWEZNQCLSA-N -1 0 367.365 2.619 20 30 FFEDRM C#CC[C@H](NC(=O)C(=O)Nc1scc(C(=O)[O-])c1C)c1ccccc1 ZINC000833360040 605184908 /nfs/dbraw/zinc/18/49/08/605184908.db2.gz ASKIAUCIJJHPTQ-AWEZNQCLSA-N -1 0 356.403 2.574 20 30 FFEDRM Cc1c(C#N)cccc1NC(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000829839791 605216463 /nfs/dbraw/zinc/21/64/63/605216463.db2.gz RSQFEIWLPHFGBU-UHFFFAOYSA-N -1 0 367.409 2.954 20 30 FFEDRM C[C@@]1(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCC[C@H]1C(=O)[O-] ZINC000833569844 605246951 /nfs/dbraw/zinc/24/69/51/605246951.db2.gz PPNKUKFSOWKYMU-SWLSCSKDSA-N -1 0 356.831 2.523 20 30 FFEDRM N#Cc1ccc2c(c1)N(C(=O)c1cccn1C1CCN(C(=O)[O-])CC1)CC2 ZINC000833977827 605364902 /nfs/dbraw/zinc/36/49/02/605364902.db2.gz ZKLZNWLJMQTOIW-UHFFFAOYSA-N -1 0 364.405 2.878 20 30 FFEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833374185 605446022 /nfs/dbraw/zinc/44/60/22/605446022.db2.gz BYJNHXGXBAOCKZ-UHFFFAOYSA-N -1 0 353.371 2.536 20 30 FFEDRM N#C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833960831 605461964 /nfs/dbraw/zinc/46/19/64/605461964.db2.gz LPOCXNTZFPVISA-AVGNSLFASA-N -1 0 355.316 2.823 20 30 FFEDRM N#CC1(c2ccc(C(=O)N3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@@H]4C3)cc2)CC1 ZINC000833962993 605481648 /nfs/dbraw/zinc/48/16/48/605481648.db2.gz DRFZXJSAPVLIOG-USXIJHARSA-N -1 0 353.422 2.750 20 30 FFEDRM N#CCc1ccc(NC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)cc1 ZINC000833967420 605510794 /nfs/dbraw/zinc/51/07/94/605510794.db2.gz JZZFLYADWHSCDN-INIZCTEOSA-N -1 0 353.382 2.516 20 30 FFEDRM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000823474857 605626554 /nfs/dbraw/zinc/62/65/54/605626554.db2.gz RIWUFDRJINNSJG-UHFFFAOYSA-N -1 0 365.389 2.777 20 30 FFEDRM Cc1onc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c1C#N ZINC000833937667 605695531 /nfs/dbraw/zinc/69/55/31/605695531.db2.gz YSEOCBULLVELFU-QGZVFWFLSA-N -1 0 370.409 2.646 20 30 FFEDRM COCCN(C(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(C#N)cc1 ZINC000833883094 605764855 /nfs/dbraw/zinc/76/48/55/605764855.db2.gz FBPMNVFGLLXRFP-SFHVURJKSA-N -1 0 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O=C([O-])CCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC001606183105 973432291 /nfs/dbraw/zinc/43/22/91/973432291.db2.gz OWFIVXZKRHHFLP-UHFFFAOYSA-N -1 0 369.339 2.539 20 30 FFEDRM N#CCOc1cccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605585569 973877866 /nfs/dbraw/zinc/87/78/66/973877866.db2.gz GCBUOIYUNJMDDZ-MSOLQXFVSA-N -1 0 365.389 2.701 20 30 FFEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001604685355 973881031 /nfs/dbraw/zinc/88/10/31/973881031.db2.gz VVZMTJFGKWYGMO-UHFFFAOYSA-N -1 0 361.737 2.903 20 30 FFEDRM N#Cc1ccc(-n2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)n2)c(Cl)c1 ZINC001605597238 973898164 /nfs/dbraw/zinc/89/81/64/973898164.db2.gz IFYPZOQDEDBIMN-UHFFFAOYSA-N -1 0 373.800 2.916 20 30 FFEDRM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)c1 ZINC001605619618 973938783 /nfs/dbraw/zinc/93/87/83/973938783.db2.gz BOEXWYULWVRECB-JKSUJKDBSA-N -1 0 364.357 2.508 20 30 FFEDRM N#Cc1cnc(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c(Cl)c1 ZINC001605623163 973950165 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350.418 2.965 20 30 FFEDRM C[C@@](CC(=O)[O-])(NC(=O)[C@H](C#N)CCc1ccccc1)c1cccnc1 ZINC001592277990 977558113 /nfs/dbraw/zinc/55/81/13/977558113.db2.gz LTGFHWLCHVOGBN-JXFKEZNVSA-N -1 0 351.406 2.660 20 30 FFEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1ccccc1S(=O)(=O)N(C)C ZINC001592444030 978100345 /nfs/dbraw/zinc/10/03/45/978100345.db2.gz IHVYECVVHUDDKX-UHFFFAOYSA-N -1 0 355.460 2.616 20 30 FFEDRM C#CCN1c2ccccc2[C@]2(CCN(C(=O)c3ccccc3[S-])C2)C1=O ZINC001271859022 979164404 /nfs/dbraw/zinc/16/44/04/979164404.db2.gz WVXDRSAHTBSCGJ-OAQYLSRUSA-N -1 0 362.454 2.739 20 30 FFEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001595111212 979455556 /nfs/dbraw/zinc/45/55/56/979455556.db2.gz AHHNMHNMAAGJQL-UHFFFAOYSA-N -1 0 373.862 2.774 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC001592834202 979574388 /nfs/dbraw/zinc/57/43/88/979574388.db2.gz MNDRUZDRRDTWOY-HNNXBMFYSA-N -1 0 351.406 2.635 20 30 FFEDRM C[C@@H](Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC001592859155 979680210 /nfs/dbraw/zinc/68/02/10/979680210.db2.gz ZUOBVPYAKVXOIH-NSHDSACASA-N -1 0 369.352 2.538 20 30 FFEDRM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2[S-])cc1C#N ZINC001272013758 979722202 /nfs/dbraw/zinc/72/22/02/979722202.db2.gz QLZWLYNEQCHHOX-IYBDPMFKSA-N -1 0 366.490 2.674 20 30 FFEDRM C[C@H](Cc1ccc(NCCS(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592878265 979749474 /nfs/dbraw/zinc/74/94/74/979749474.db2.gz YVRSTSHRQUUUDI-CQSZACIVSA-N -1 0 372.446 2.707 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nn1-c1ccccc1 ZINC000127415222 979834243 /nfs/dbraw/zinc/83/42/43/979834243.db2.gz VUFYKSCNKDKUDW-QGZVFWFLSA-N -1 0 350.422 2.952 20 30 FFEDRM CC(=O)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1O ZINC000668174237 979869174 /nfs/dbraw/zinc/86/91/74/979869174.db2.gz HWMLMHVJGXOFMS-UHFFFAOYSA-N -1 0 366.373 2.926 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)cc2)cc1OC ZINC000128843633 980043677 /nfs/dbraw/zinc/04/36/77/980043677.db2.gz YVXCIMZEXOWSGV-INIZCTEOSA-N -1 0 370.380 2.524 20 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980560006 /nfs/dbraw/zinc/56/00/06/980560006.db2.gz FCZKIMXAOYUULV-UHFFFAOYSA-N -1 0 370.430 2.982 20 30 FFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000263373187 980723108 /nfs/dbraw/zinc/72/31/08/980723108.db2.gz VZJRIZTWKSOXOI-TZMCWYRMSA-N -1 0 368.355 2.809 20 30 FFEDRM CN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1CN=Nc1ncc(F)cn1 ZINC000760264372 981170444 /nfs/dbraw/zinc/17/04/44/981170444.db2.gz BGWMKRUEPPPFFE-UHFFFAOYSA-N -1 0 371.294 2.601 20 30 FFEDRM C=CCCC[C@H](NC(=O)NC[C@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC000909024052 981599482 /nfs/dbraw/zinc/59/94/82/981599482.db2.gz BZEZZOWALOATHP-LSDHHAIUSA-N -1 0 369.412 2.676 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)C(=O)[O-] ZINC000909770423 981705707 /nfs/dbraw/zinc/70/57/07/981705707.db2.gz JAFDVLDZACDQIY-PBHICJAKSA-N -1 0 370.405 2.607 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CN(Cc1cccnc1)c1ccccc1)C(=O)[O-] ZINC000910292495 981900972 /nfs/dbraw/zinc/90/09/72/981900972.db2.gz PZLJLOCMTITJRG-GOSISDBHSA-N -1 0 353.422 2.624 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cn(C(C)C)nc1C1CCOCC1)C(=O)[O-] ZINC000910927429 982096142 /nfs/dbraw/zinc/09/61/42/982096142.db2.gz YIZKDEPFKHJATC-MRXNPFEDSA-N -1 0 363.458 2.897 20 30 FFEDRM CCCCCC[C@](O)(CN1CCO[C@H](c2cccc(C#N)c2)C1)C(=O)[O-] ZINC001595702027 982260415 /nfs/dbraw/zinc/26/04/15/982260415.db2.gz APWGROHBVWVWNL-ICSRJNTNSA-N -1 0 360.454 2.718 20 30 FFEDRM CCCNC(=S)C(C(=O)c1ccc(C(=O)[O-])cc1)[n+]1cc([O-])ccc1C ZINC001595931907 983066396 /nfs/dbraw/zinc/06/63/96/983066396.db2.gz URTVRSUKJVXDOU-UHFFFAOYSA-O -1 0 373.454 2.625 20 30 FFEDRM CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C(=O)[O-] ZINC001596130892 983476851 /nfs/dbraw/zinc/47/68/51/983476851.db2.gz DCTGOZVNRIAHLB-CYBMUJFWSA-N -1 0 369.462 2.675 20 30 FFEDRM C=CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc(OC)c1OC ZINC000911658732 983869315 /nfs/dbraw/zinc/86/93/15/983869315.db2.gz PLBTZEACQJINQB-INIZCTEOSA-N -1 0 370.405 2.773 20 30 FFEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000058186641 984556399 /nfs/dbraw/zinc/55/63/99/984556399.db2.gz FFELOSQULUDCKJ-UHFFFAOYSA-N -1 0 371.418 2.634 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1C#N ZINC001596667316 984734242 /nfs/dbraw/zinc/73/42/42/984734242.db2.gz WZMOZNDMRWYWPR-YPMHNXCESA-N -1 0 374.397 2.892 20 30 FFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(C(=O)OC(C)(C)C)cc2)C(=O)O1 ZINC000764914578 984802315 /nfs/dbraw/zinc/80/23/15/984802315.db2.gz GBYASAVAZJVNSN-PYUISTEWSA-N -1 0 356.374 2.870 20 30 FFEDRM CCCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2CC#N)cc1 ZINC000761163872 984857142 /nfs/dbraw/zinc/85/71/42/984857142.db2.gz RVLSRKCGMRPKPR-UHFFFAOYSA-N -1 0 372.446 2.589 20 30 FFEDRM C[C@H]1CC[C@@](NS(=O)(=O)c2cccc(C#N)c2Cl)(C(=O)[O-])CC1 ZINC001599908523 984954144 /nfs/dbraw/zinc/95/41/44/984954144.db2.gz DFXIHUSTCMDXII-LGZQZNNBSA-N -1 0 356.831 2.523 20 30 FFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2OCC#N)c(C)c1C(=O)[O-] ZINC001599949438 985583133 /nfs/dbraw/zinc/58/31/33/985583133.db2.gz ZGEZAUFUVSYJNM-LBPRGKRZSA-N -1 0 370.361 2.660 20 30 FFEDRM COCCCOc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000173956119 986022884 /nfs/dbraw/zinc/02/28/84/986022884.db2.gz SWPVICSQMPAMJZ-IBGZPJMESA-N -1 0 366.417 2.741 20 30 FFEDRM CCOc1cc(C(=O)N(C2CC2)C2(C#N)CCC2)ccc1OCC(=O)[O-] ZINC001596994536 986291386 /nfs/dbraw/zinc/29/13/86/986291386.db2.gz MBHDSYLBUZVCNH-UHFFFAOYSA-N -1 0 358.394 2.600 20 30 FFEDRM CC[C@H](C#N)C(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594722842 987217322 /nfs/dbraw/zinc/21/73/22/987217322.db2.gz WYTIJXZKUUGUMP-DDTOSNHZSA-N -1 0 365.227 2.625 20 30 FFEDRM N#Cc1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1C(F)(F)F ZINC000174756172 987516898 /nfs/dbraw/zinc/51/68/98/987516898.db2.gz RMPQCADUIRLHMY-UHFFFAOYSA-N -1 0 363.295 2.764 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000132075269 987566040 /nfs/dbraw/zinc/56/60/40/987566040.db2.gz BJLYWVPPYZUMAF-MRXNPFEDSA-N -1 0 369.446 2.778 20 30 FFEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] 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373.844 2.708 20 30 FFEDRM C=C(Cl)Cn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1CC[C@@H](C)C1 ZINC001588447247 1080029659 /nfs/dbraw/zinc/02/96/59/1080029659.db2.gz BUWKRAUAFZLSQV-LLVKDONJSA-N -1 0 370.848 2.724 20 30 FFEDRM C=CC1(CC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CCCCC1 ZINC001588452349 1080030357 /nfs/dbraw/zinc/03/03/57/1080030357.db2.gz NYEDPOMNEHUALU-RDYUPDBUSA-N -1 0 363.454 2.625 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588458152 1080034277 /nfs/dbraw/zinc/03/42/77/1080034277.db2.gz LJTOFYQOIKAOHN-CQSZACIVSA-N -1 0 354.447 2.559 20 30 FFEDRM C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC)C(=O)[O-] ZINC001588466386 1080038466 /nfs/dbraw/zinc/03/84/66/1080038466.db2.gz NEJLKCNVELQQLB-SNVBAGLBSA-N -1 0 357.204 2.999 20 30 FFEDRM C#CCOc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC001588498096 1080059582 /nfs/dbraw/zinc/05/95/82/1080059582.db2.gz WDXZHWJJJZJHPL-UHFFFAOYSA-N -1 0 373.430 2.862 20 30 FFEDRM C#CCOc1ccc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1OCC 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354.406 2.949 20 30 FFEDRM CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1 ZINC001588643844 1080135798 /nfs/dbraw/zinc/13/57/98/1080135798.db2.gz WBIXQKFSSROLQI-RQMAVPSVSA-N -1 0 350.459 2.871 20 30 FFEDRM C=C[C@@H](C(=O)[O-])N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC001588670296 1080148559 /nfs/dbraw/zinc/14/85/59/1080148559.db2.gz ZPUKAMSGAVOYKL-KRWDZBQOSA-N -1 0 373.478 2.576 20 30 FFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001588676893 1080150614 /nfs/dbraw/zinc/15/06/14/1080150614.db2.gz IIFXQAJVHYLZKP-UHFFFAOYSA-N -1 0 359.419 2.803 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588696124 1080159086 /nfs/dbraw/zinc/15/90/86/1080159086.db2.gz JUFFKCXDYXHSGO-OLZOCXBDSA-N -1 0 350.430 2.546 20 30 FFEDRM C=CC[C@@H](C(=O)[O-])N1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC001588729268 1080173749 /nfs/dbraw/zinc/17/37/49/1080173749.db2.gz IQAXJECJGYCANE-RDJZCZTQSA-N -1 0 370.453 2.753 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588745308 1080178679 /nfs/dbraw/zinc/17/86/79/1080178679.db2.gz XTXYJMCBQNCSNS-MRXNPFEDSA-N -1 0 370.430 2.722 20 30 FFEDRM C=CC[C@H](c1nnc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1CC)c1ccccc1 ZINC001588762769 1080183880 /nfs/dbraw/zinc/18/38/80/1080183880.db2.gz MOKNFGVIVFZZTD-HYVNUMGLSA-N -1 0 370.453 2.684 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588771019 1080188369 /nfs/dbraw/zinc/18/83/69/1080188369.db2.gz LRRIZUJAKYUXJT-JQWIXIFHSA-N -1 0 365.817 2.623 20 30 FFEDRM C=CCC[C@H](C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1)c1ccccc1 ZINC001588777213 1080191135 /nfs/dbraw/zinc/19/11/35/1080191135.db2.gz XCMXNCOEBDSOFM-INIZCTEOSA-N -1 0 356.422 2.959 20 30 FFEDRM C=CCC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588782192 1080193789 /nfs/dbraw/zinc/19/37/89/1080193789.db2.gz RXTQZHBWBWYIBN-SNVBAGLBSA-N -1 0 352.337 2.559 20 30 FFEDRM C=CCCC[C@H](C)NC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001588782997 1080194915 /nfs/dbraw/zinc/19/49/15/1080194915.db2.gz SBSIDKFNPHQGJR-VIFPVBQESA-N -1 0 356.781 2.977 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1c2ccccc2C(=O)OC12CCC2)C(=O)[O-] ZINC001588789821 1080196775 /nfs/dbraw/zinc/19/67/75/1080196775.db2.gz KLGIMNZMQZEVTD-JKSUJKDBSA-N -1 0 357.406 2.789 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001588794301 1080199727 /nfs/dbraw/zinc/19/97/27/1080199727.db2.gz QIHMDFPCJCVGGF-ZIAGYGMSSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)C(C)(C)C(=O)[O-] ZINC001588794083 1080199850 /nfs/dbraw/zinc/19/98/50/1080199850.db2.gz KZJKZSLSILLPOY-ZDUSSCGKSA-N -1 0 356.463 2.948 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588797725 1080200361 /nfs/dbraw/zinc/20/03/61/1080200361.db2.gz KBYMQODBNHNPDF-ZDUSSCGKSA-N -1 0 365.373 2.934 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc21)C(=O)[O-] ZINC001588798543 1080201625 /nfs/dbraw/zinc/20/16/25/1080201625.db2.gz 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C=CCOC[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001588861759 1080221460 /nfs/dbraw/zinc/22/14/60/1080221460.db2.gz LSBLLRJXEYLRRP-NSHDSACASA-N -1 0 351.708 2.744 20 30 FFEDRM C=CCOCc1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1CC(C)C ZINC001588868720 1080222823 /nfs/dbraw/zinc/22/28/23/1080222823.db2.gz TXKQLYXEGBHTAV-HNNXBMFYSA-N -1 0 364.490 2.964 20 30 FFEDRM C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588886979 1080234247 /nfs/dbraw/zinc/23/42/47/1080234247.db2.gz WFHSEYBSEVPWMI-AWEZNQCLSA-N -1 0 363.421 2.899 20 30 FFEDRM C=CCn1c(-c2ccc(C(C)C)cn2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588888897 1080237126 /nfs/dbraw/zinc/23/71/26/1080237126.db2.gz HTPOLYNRNMNQOR-GOSISDBHSA-N -1 0 359.405 2.653 20 30 FFEDRM C=CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588889902 1080238088 /nfs/dbraw/zinc/23/80/88/1080238088.db2.gz GWYYFPFLIVRWGT-AWEZNQCLSA-N -1 0 369.425 2.923 20 30 FFEDRM C=CCn1c(-c2oc(CO)cc2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588891761 1080238699 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Cn1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc2cc(C(F)(F)F)ccc21 ZINC000175295677 510573804 /nfs/dbraw/zinc/57/38/04/510573804.db2.gz LZIATIHIYPEYBY-UHFFFAOYSA-N -1 0 358.283 2.916 20 30 FFEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000181794951 510596563 /nfs/dbraw/zinc/59/65/63/510596563.db2.gz VFLOAHASERCNMU-UHFFFAOYSA-N -1 0 350.371 2.523 20 30 FFEDRM COc1ccc(C(=O)CCCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000188132867 510610072 /nfs/dbraw/zinc/61/00/72/510610072.db2.gz NTEATGIRYCUKLK-UHFFFAOYSA-N -1 0 365.393 2.934 20 30 FFEDRM Cc1c(Br)ccc(C(=O)[O-])c1NS(=O)(=O)CCCC#N ZINC000266565829 510663477 /nfs/dbraw/zinc/66/34/77/510663477.db2.gz KHBKTSZTAHCRDX-UHFFFAOYSA-N -1 0 361.217 2.501 20 30 FFEDRM CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000195444022 510827426 /nfs/dbraw/zinc/82/74/26/510827426.db2.gz GRRHSLOSHDEJTA-UHFFFAOYSA-N -1 0 368.422 2.663 20 30 FFEDRM N#CC1CCC(CNS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC000282163542 510872029 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COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cnc1C ZINC000291825920 511353436 /nfs/dbraw/zinc/35/34/36/511353436.db2.gz CUEMHWCYKCQPDY-UHFFFAOYSA-N -1 0 373.434 2.779 20 30 FFEDRM COc1ccc([C@@H]2CCN(CCC#N)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC000272081621 511424894 /nfs/dbraw/zinc/42/48/94/511424894.db2.gz LSOHSCGFZXAFCZ-JSGCOSHPSA-N -1 0 373.350 2.584 20 30 FFEDRM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000280941103 511660483 /nfs/dbraw/zinc/66/04/83/511660483.db2.gz GQBOSNBTWXQYLR-JLWFYQMASA-N -1 0 369.377 2.969 20 30 FFEDRM Cc1cnn(-c2ccncc2[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000365815575 511666410 /nfs/dbraw/zinc/66/64/10/511666410.db2.gz GKTHIJUTWFBNDD-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000321607595 511820434 /nfs/dbraw/zinc/82/04/34/511820434.db2.gz MDKUJEVGWCTORM-UHFFFAOYSA-N -1 0 350.783 2.852 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000321857137 511821800 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20 30 FFEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(F)c1 ZINC000435217122 513535358 /nfs/dbraw/zinc/53/53/58/513535358.db2.gz NQKHRWKIMZFIFG-XOKHGSTOSA-N -1 0 360.385 2.843 20 30 FFEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)cc(-n2cccn2)c1 ZINC000435478519 513600796 /nfs/dbraw/zinc/60/07/96/513600796.db2.gz UVLCFQNWUSJPIP-UHFFFAOYSA-N -1 0 360.420 2.615 20 30 FFEDRM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)s1)OCCO2 ZINC000435488675 513601983 /nfs/dbraw/zinc/60/19/83/513601983.db2.gz DQBHAFCKWIPBIE-UHFFFAOYSA-N -1 0 368.461 2.914 20 30 FFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)s2)c(C)cc1C ZINC000435496673 513603768 /nfs/dbraw/zinc/60/37/68/513603768.db2.gz LRWYLMMMIWHMIV-UHFFFAOYSA-N -1 0 350.421 2.824 20 30 FFEDRM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435491235 513603993 /nfs/dbraw/zinc/60/39/93/513603993.db2.gz AQXYJUAJKWHGAB-UHFFFAOYSA-N -1 0 363.464 2.949 20 30 FFEDRM CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)s2)n[nH]1 ZINC000435493023 513604502 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Cc1nc(COc2cccc(C([O-])=C(C#N)C(=O)NC3CC3)c2)cs1 ZINC000129291903 728710981 /nfs/dbraw/zinc/71/09/81/728710981.db2.gz FNDFUXMMALLJAV-INIZCTEOSA-N -1 0 355.419 2.632 20 30 FFEDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000130348773 728717015 /nfs/dbraw/zinc/71/70/15/728717015.db2.gz UQHIPHXHRVIFBR-UHFFFAOYSA-N -1 0 369.244 2.669 20 30 FFEDRM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2Br)c1C ZINC000133509441 728727129 /nfs/dbraw/zinc/72/71/29/728727129.db2.gz FEJSJWFROHNEKY-ZDUSSCGKSA-N -1 0 374.238 2.925 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000133750528 728727780 /nfs/dbraw/zinc/72/77/80/728727780.db2.gz YURUADLDIQXFFT-UHFFFAOYSA-N -1 0 353.743 2.626 20 30 FFEDRM C=C(Br)CNC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000137164038 728740152 /nfs/dbraw/zinc/74/01/52/728740152.db2.gz RCHLQPQODICSAJ-UHFFFAOYSA-N -1 0 364.199 2.517 20 30 FFEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)s1 ZINC000140417321 728741524 /nfs/dbraw/zinc/74/15/24/728741524.db2.gz 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ZINC000778932544 738422317 /nfs/dbraw/zinc/42/23/17/738422317.db2.gz FSZDMNMWMDUDNY-NSHDSACASA-N -1 0 350.421 2.693 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2sccc2C#N)C1=O ZINC000194360667 729508764 /nfs/dbraw/zinc/50/87/64/729508764.db2.gz IXRAZPHKBBHMAK-KRWDZBQOSA-N -1 0 362.455 2.936 20 30 FFEDRM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000255114446 729632325 /nfs/dbraw/zinc/63/23/25/729632325.db2.gz MFGJIGZWIPLCCB-XFXZXTDPSA-N -1 0 356.403 2.935 20 30 FFEDRM CCNS(=O)(=O)c1ccc(C/N=C\c2cc(Cl)ccc2O)cc1 ZINC000255675415 729645112 /nfs/dbraw/zinc/64/51/12/729645112.db2.gz TVTZRWYBCMNBTJ-WQRHYEAKSA-N -1 0 352.843 2.963 20 30 FFEDRM O=c1oc2ccccc2n1CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255718715 729645867 /nfs/dbraw/zinc/64/58/67/729645867.db2.gz NKVWUZKLOQOVCG-NVMNQCDNSA-N -1 0 361.741 2.981 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000261721793 729652588 /nfs/dbraw/zinc/65/25/88/729652588.db2.gz QRGMNDZGQINSGB-ONERCXAPSA-N -1 0 368.842 2.618 20 30 FFEDRM C=CCOC[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262973809 729675219 /nfs/dbraw/zinc/67/52/19/729675219.db2.gz KECGRGUSWLBAJI-BXUZGUMPSA-N -1 0 359.344 2.971 20 30 FFEDRM C=CCOC[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000263006906 729676395 /nfs/dbraw/zinc/67/63/95/729676395.db2.gz MVCHKZATJDKSCN-HNNXBMFYSA-N -1 0 351.468 2.848 20 30 FFEDRM C=CCN(CCOC)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000318458258 729749038 /nfs/dbraw/zinc/74/90/38/729749038.db2.gz CPRPDWLDOYZGIR-UHFFFAOYSA-N -1 0 368.238 2.515 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCCC1 ZINC000779314083 738453962 /nfs/dbraw/zinc/45/39/62/738453962.db2.gz DXORORQEVPIXLE-CABCVRRESA-N -1 0 366.870 2.973 20 30 FFEDRM CC(C)OCc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000779314356 738454290 /nfs/dbraw/zinc/45/42/90/738454290.db2.gz ICOOEKWZKFTOQA-UHFFFAOYSA-N -1 0 364.467 2.755 20 30 FFEDRM CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315369 738454626 /nfs/dbraw/zinc/45/46/26/738454626.db2.gz SDIZWMRWTBRRAR-MRXNPFEDSA-N -1 0 364.467 2.682 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc3[nH]ccc3c2)CCCC1 ZINC000779317569 738454710 /nfs/dbraw/zinc/45/47/10/738454710.db2.gz HVYBZPPQNVKARK-GQCTYLIASA-N -1 0 357.435 2.711 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCc3c2cccc3Cl)CCCC1 ZINC000779318965 738455025 /nfs/dbraw/zinc/45/50/25/738455025.db2.gz YJBVGRSXDHKQPV-CQSZACIVSA-N -1 0 366.870 2.900 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CCSc2ccc(F)cc2)CCCC1 ZINC000779317799 738455054 /nfs/dbraw/zinc/45/50/54/738455054.db2.gz KVQUKRKWGPCJGM-UHFFFAOYSA-N -1 0 370.471 2.838 20 30 FFEDRM C[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856417473 730335552 /nfs/dbraw/zinc/33/55/52/730335552.db2.gz VZOYHAIQIDRLPS-RNCFNFMXSA-N -1 0 373.762 2.741 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)COCc2ccccc2C)n1 ZINC000856961597 730369041 /nfs/dbraw/zinc/36/90/41/730369041.db2.gz LUNPHOFNAVAGCI-HNNXBMFYSA-N -1 0 358.419 2.696 20 30 FFEDRM O=C(OCCCF)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000857561041 730399616 /nfs/dbraw/zinc/39/96/16/730399616.db2.gz WTZKVCPLSSFLDV-HTQZYQBOSA-N -1 0 368.249 2.556 20 30 FFEDRM O=C(CC(F)(F)F)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000857631132 730402986 /nfs/dbraw/zinc/40/29/86/730402986.db2.gz MMIRZIKHERAROE-RITPCOANSA-N -1 0 374.203 2.539 20 30 FFEDRM CC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)CCC(F)(F)CC1 ZINC000860683564 730537224 /nfs/dbraw/zinc/53/72/24/730537224.db2.gz DCOSEISSOOOFEU-UHFFFAOYSA-N -1 0 360.357 2.718 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)c(Cl)c1 ZINC000779842296 738488783 /nfs/dbraw/zinc/48/87/83/738488783.db2.gz MPNUDUIIEXDDCK-UHFFFAOYSA-N -1 0 359.798 2.593 20 30 FFEDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000779844152 738489299 /nfs/dbraw/zinc/48/92/99/738489299.db2.gz GATYRACHPHJQCL-LBPRGKRZSA-N -1 0 362.455 2.637 20 30 FFEDRM N#CC(=C([O-])c1cn(Cc2ccccn2)nn1)c1nc(C2CC2)cs1 ZINC000647378379 730739672 /nfs/dbraw/zinc/73/96/72/730739672.db2.gz UCCCWZVAMISRHW-ZDUSSCGKSA-N -1 0 350.407 2.545 20 30 FFEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000863420892 730778945 /nfs/dbraw/zinc/77/89/45/730778945.db2.gz NUJJXPUOCWGLJT-JTQLQIEISA-N -1 0 357.737 2.580 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)CCCOc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000864182660 730828717 /nfs/dbraw/zinc/82/87/17/730828717.db2.gz CHHMTIGZGRRJSW-HNNXBMFYSA-N -1 0 353.802 2.760 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cn(CCOC)c2ccccc12)C(=O)[O-] ZINC000864185146 730829102 /nfs/dbraw/zinc/82/91/02/730829102.db2.gz TWDVSXHYHMEFRP-CQSZACIVSA-N -1 0 350.802 2.613 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000864186609 730829264 /nfs/dbraw/zinc/82/92/64/730829264.db2.gz SYGVOUYHWYPMDY-CYBMUJFWSA-N -1 0 350.806 2.646 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)[C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000864186312 730829394 /nfs/dbraw/zinc/82/93/94/730829394.db2.gz MOOUTGGBWBIXOH-ZWNOBZJWSA-N -1 0 355.818 2.594 20 30 FFEDRM C=C(C)C[C@H](NC(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)C(=O)[O-] ZINC000864188066 730829507 /nfs/dbraw/zinc/82/95/07/730829507.db2.gz QJJCPGHIQLSTAH-BYNSBNAKSA-N -1 0 364.239 2.870 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)C(=O)[O-] ZINC000864521617 730856140 /nfs/dbraw/zinc/85/61/40/730856140.db2.gz QGBCBTOEIXFUGQ-CHWSQXEVSA-N -1 0 356.781 2.934 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)NCCCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000864522507 730856373 /nfs/dbraw/zinc/85/63/73/730856373.db2.gz XUJLNMVQJRCIDY-CYBMUJFWSA-N -1 0 370.833 2.531 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C(=O)[O-] ZINC000864523102 730856392 /nfs/dbraw/zinc/85/63/92/730856392.db2.gz OXOJBRUFOWHQPQ-GWCFXTLKSA-N -1 0 356.806 2.660 20 30 FFEDRM N#Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000864607728 730864676 /nfs/dbraw/zinc/86/46/76/730864676.db2.gz DPMQDAFDVUXWRH-CHWSQXEVSA-N -1 0 355.316 2.668 20 30 FFEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC ZINC000650421476 730994755 /nfs/dbraw/zinc/99/47/55/730994755.db2.gz IWPPBDBFXQIVPY-ZDUSSCGKSA-N -1 0 355.456 2.690 20 30 FFEDRM N#C[C@@]1(c2nc(-c3cc(F)c([O-])c(Br)c3)no2)CCCOC1 ZINC000867048592 731136690 /nfs/dbraw/zinc/13/66/90/731136690.db2.gz FYVFGNVPLVCCQU-AWEZNQCLSA-N -1 0 368.162 2.916 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2scnc2C(F)F)n1 ZINC000869853397 731446376 /nfs/dbraw/zinc/44/63/76/731446376.db2.gz NYUFCGXKXSOAQA-ZETCQYMHSA-N -1 0 357.363 2.879 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]23C[C@H]2CCCC3)cc1C(F)(F)F ZINC000870113319 731471189 /nfs/dbraw/zinc/47/11/89/731471189.db2.gz VKUXPJVXJQXZQD-IAQYHMDHSA-N -1 0 372.368 2.962 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2([C@H]3CCCCO3)CCC2)CCCCC1 ZINC000870287570 731492175 /nfs/dbraw/zinc/49/21/75/731492175.db2.gz JUILNYXTXJEUQS-OAHLLOKOSA-N -1 0 368.499 2.646 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C2(c3ccnc4ccccc43)CC2)CC1 ZINC000870370923 731504809 /nfs/dbraw/zinc/50/48/09/731504809.db2.gz WGBYQIPEFLGXTE-UHFFFAOYSA-N -1 0 356.447 2.821 20 30 FFEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000656160256 731547366 /nfs/dbraw/zinc/54/73/66/731547366.db2.gz PGPUDSRDUYNDMS-ZDUSSCGKSA-N -1 0 366.464 2.816 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 ZINC000870831868 731563686 /nfs/dbraw/zinc/56/36/86/731563686.db2.gz JLCSLASODBYLAA-UHFFFAOYSA-N -1 0 362.476 2.826 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)CCCCC(=O)c2ccc(F)cc2)CC1 ZINC000870835673 731564106 /nfs/dbraw/zinc/56/41/06/731564106.db2.gz JAEBZHNBTVKGFA-UHFFFAOYSA-N -1 0 353.415 2.733 20 30 FFEDRM C=CCC[C@@H](NC(=O)NC[C@H](OC1CCCC1)C(F)(F)F)C(=O)[O-] ZINC000656589326 731602431 /nfs/dbraw/zinc/60/24/31/731602431.db2.gz AXPQFVBUWLXIAD-NEPJUHHUSA-N -1 0 352.353 2.595 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000656719132 731629875 /nfs/dbraw/zinc/62/98/75/731629875.db2.gz SVAYRIAXUUWASB-JSGCOSHPSA-N -1 0 353.440 2.807 20 30 FFEDRM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1CCC#N ZINC000871958620 731708501 /nfs/dbraw/zinc/70/85/01/731708501.db2.gz DTNHLKYKFSCVJA-SNVBAGLBSA-N -1 0 351.160 3.000 20 30 FFEDRM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000871982835 731711391 /nfs/dbraw/zinc/71/13/91/731711391.db2.gz FOJPFXQQOFNNTB-SSDOTTSWSA-N -1 0 363.222 2.757 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(C#N)c1 ZINC000872341572 731753311 /nfs/dbraw/zinc/75/33/11/731753311.db2.gz UQRNZKRTCRHLSD-UHFFFAOYSA-N -1 0 357.435 2.504 20 30 FFEDRM CCC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000780357596 738536210 /nfs/dbraw/zinc/53/62/10/738536210.db2.gz DLXPTRVTHALEPE-WCQYABFASA-N -1 0 370.858 2.612 20 30 FFEDRM Cc1ccc(C(C)C)c(OCCC(=O)[N-]S(=O)(=O)CCCC#N)c1 ZINC000780472702 738547017 /nfs/dbraw/zinc/54/70/17/738547017.db2.gz AWZIIXGSVHLJIC-UHFFFAOYSA-N -1 0 352.456 2.637 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(OCC)c(C(C)C)c1 ZINC000873583058 731938472 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C=CCNC(=O)C(C#N)=C([O-])c1nc(C(C)C)n(-c2ccccc2Cl)n1 ZINC000748483433 1017283883 /nfs/dbraw/zinc/28/38/83/1017283883.db2.gz SYSVZXHFKPYODT-LBPRGKRZSA-N -1 0 371.828 2.669 20 30 FFEDRM COc1nc(C)ccc1-c1noc(-c2cc(=O)c3cccc(C#N)c3[n-]2)n1 ZINC001217505578 1032762260 /nfs/dbraw/zinc/76/22/60/1032762260.db2.gz DOIWCSCLPNIQMV-UHFFFAOYSA-N -1 0 359.345 2.829 20 30 FFEDRM N#Cc1ccc(F)c(-c2noc(-c3cc4cc(O)c([O-])cc4oc3=O)n2)c1 ZINC001217553582 1032780149 /nfs/dbraw/zinc/78/01/49/1032780149.db2.gz JNVHBZIZLOMLTH-UHFFFAOYSA-N -1 0 365.276 2.932 20 30 FFEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)OCc3ccnc(C#N)c3)n2)c1 ZINC000801416036 1018958637 /nfs/dbraw/zinc/95/86/37/1018958637.db2.gz MCZVJZHQWSCBBC-UHFFFAOYSA-N -1 0 352.325 2.649 20 30 FFEDRM COC(=O)c1cc2n(n1)CC/C(=C/c1cc(C(=O)[O-])c(C)cc1C)C2=O ZINC000901561701 1019213817 /nfs/dbraw/zinc/21/38/17/1019213817.db2.gz WQSSXBLRKYWFHW-GHXNOFRVSA-N -1 0 354.362 2.655 20 30 FFEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1coc(C2CCOCC2)n1 ZINC000802218297 1019901849 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356.422 2.906 20 30 FFEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)Cc3cccc(C#N)c3)CCC2)c1 ZINC000750414591 1021941282 /nfs/dbraw/zinc/94/12/82/1021941282.db2.gz LCZUBCNSGGUVRX-UHFFFAOYSA-N -1 0 368.458 2.935 20 30 FFEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000042290575 1022161034 /nfs/dbraw/zinc/16/10/34/1022161034.db2.gz PZHSWHKMGCSPSK-UHFFFAOYSA-N -1 0 374.422 2.755 20 30 FFEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)c(C)n1Cc1ccccn1 ZINC000042323972 1022164054 /nfs/dbraw/zinc/16/40/54/1022164054.db2.gz LYOBLMKEVWNXFZ-UHFFFAOYSA-N -1 0 370.434 2.637 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000158610101 1022545822 /nfs/dbraw/zinc/54/58/22/1022545822.db2.gz VNBYIDIFPMIMBN-JXMROGBWSA-N -1 0 363.398 2.625 20 30 FFEDRM C=CCCc1ccc(S(=O)(=O)[N-]c2ccnn2C[C@@H]2CCOC2)cc1 ZINC001119296775 1022662171 /nfs/dbraw/zinc/66/21/71/1022662171.db2.gz CWCXCWRCHUVRGG-INIZCTEOSA-N -1 0 361.467 2.839 20 30 FFEDRM Cn1cc(S(=O)(=O)[N-]C(=O)CCCc2ncc(-c3ccccc3)o2)cn1 ZINC000048676747 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N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CCC(=O)[O-])ccc1Cl ZINC000560481055 517836506 /nfs/dbraw/zinc/83/65/06/517836506.db2.gz RVZUOVZRESGXLZ-XHDPSFHLSA-N -1 0 370.858 2.914 20 30 FFEDRM CNC(=O)c1ccc(=N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[n-]n1 ZINC000542970073 517845409 /nfs/dbraw/zinc/84/54/09/517845409.db2.gz LPKAUDMFWHODTJ-CQSZACIVSA-N -1 0 357.417 2.970 20 30 FFEDRM CCC[C@H](NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)C1CCCCC1 ZINC000539160201 517936488 /nfs/dbraw/zinc/93/64/88/517936488.db2.gz MCGNYRNEQIRCTH-INIZCTEOSA-N -1 0 373.501 2.735 20 30 FFEDRM CCOC(=O)c1cnc(/C=C/c2cnc3ccc(C#N)cn23)c(C(=O)[O-])c1 ZINC000539233315 517957940 /nfs/dbraw/zinc/95/79/40/517957940.db2.gz IXOQNEYJGYKKHF-SNAWJCMRSA-N -1 0 362.345 2.646 20 30 FFEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C(=O)[O-] ZINC000563602336 518015107 /nfs/dbraw/zinc/01/51/07/518015107.db2.gz GUUKSMULXDFWSV-GXTWGEPZSA-N -1 0 350.415 2.874 20 30 FFEDRM C=CCCC[C@@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)c(OC)c(OC)c1 ZINC000539428716 518043211 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FFEDRM C=C(C)COc1cccc(NC(=O)N[C@H](Cc2ccccn2)C(=O)[O-])c1 ZINC000573064334 518487498 /nfs/dbraw/zinc/48/74/98/518487498.db2.gz FKGUTIXWXBBUKX-QGZVFWFLSA-N -1 0 355.394 2.854 20 30 FFEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000573259541 518579976 /nfs/dbraw/zinc/57/99/76/518579976.db2.gz ASZLUSOGERAULR-UHFFFAOYSA-N -1 0 358.419 2.731 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000576472926 518609721 /nfs/dbraw/zinc/60/97/21/518609721.db2.gz LFGCQUCNTOMMLL-UHFFFAOYSA-N -1 0 372.156 2.623 20 30 FFEDRM Cc1cc(NS(=O)(=O)CC2(CC#N)CC2)ccc1-n1cccc1C(=O)[O-] ZINC000579480242 518702237 /nfs/dbraw/zinc/70/22/37/518702237.db2.gz BCEZGUNSTWAEPK-UHFFFAOYSA-N -1 0 373.434 2.920 20 30 FFEDRM Cc1cc(C#N)cnc1C(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000576771934 518756529 /nfs/dbraw/zinc/75/65/29/518756529.db2.gz JHHJPXINXCANRI-UHFFFAOYSA-N -1 0 353.432 2.939 20 30 FFEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000576881294 518808911 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N#CCCC1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CC1 ZINC000565598192 519037751 /nfs/dbraw/zinc/03/77/51/519037751.db2.gz PJLULBRBSJUIHZ-UHFFFAOYSA-N -1 0 362.451 2.578 20 30 FFEDRM N#CCc1ccc(CS(=O)(=O)[N-]c2nc3c(s2)CSCC3)cc1 ZINC000568628162 519137322 /nfs/dbraw/zinc/13/73/22/519137322.db2.gz NKKPVVKRMBMGGD-UHFFFAOYSA-N -1 0 365.505 2.940 20 30 FFEDRM N#CCc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000577702755 519211920 /nfs/dbraw/zinc/21/19/20/519211920.db2.gz MZXXAFALWRTEPN-OCCSQVGLSA-N -1 0 370.858 2.718 20 30 FFEDRM C[C@H](C1CCCCC1)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000574743423 519310355 /nfs/dbraw/zinc/31/03/55/519310355.db2.gz YKBXKAICIGUPKG-GFCCVEGCSA-N -1 0 368.430 2.741 20 30 FFEDRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000571882112 519326243 /nfs/dbraw/zinc/32/62/43/519326243.db2.gz OMPLDEKSWSKLSD-UHFFFAOYSA-N -1 0 360.439 2.988 20 30 FFEDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000590897656 519425128 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FFEDRM C[C@@H](Oc1ccc(C=NNc2nc3ccccc3c(=O)[nH]2)cc1)C(=O)[O-] ZINC000794918158 602076621 /nfs/dbraw/zinc/07/66/21/602076621.db2.gz BPEUVNCLVHQXIP-LLVKDONJSA-N -1 0 352.350 2.633 20 30 FFEDRM N#Cc1ccc(CN(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])C2CC2)cc1 ZINC000740313223 602077203 /nfs/dbraw/zinc/07/72/03/602077203.db2.gz RKRXSBSVUGRIAA-KRWDZBQOSA-N -1 0 356.426 2.765 20 30 FFEDRM N#Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000740313975 602083551 /nfs/dbraw/zinc/08/35/51/602083551.db2.gz BOAFVSPQGDMZBX-IAGOWNOFSA-N -1 0 356.426 2.622 20 30 FFEDRM C=CCNC(=O)[C@@H](C)OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825687829 602098538 /nfs/dbraw/zinc/09/85/38/602098538.db2.gz YPMZNBBTWNDQNN-MRVPVSSYSA-N -1 0 360.288 2.643 20 30 FFEDRM C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000827240541 602182018 /nfs/dbraw/zinc/18/20/18/602182018.db2.gz MAZPPYNGNAIBFJ-KCJUWKMLSA-N -1 0 356.350 2.759 20 30 FFEDRM C=CCn1c(-c2ccccc2C)nn(CN2CCN(C(=O)[O-])CC2)c1=S ZINC000825705568 602189417 /nfs/dbraw/zinc/18/94/17/602189417.db2.gz NGEDLURWRAWBJN-UHFFFAOYSA-N -1 0 373.482 2.829 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)NC2CCN(C(=O)[O-])CC2)c1 ZINC000738434133 602244892 /nfs/dbraw/zinc/24/48/92/602244892.db2.gz TYBGJIFBEJSWGD-UHFFFAOYSA-N -1 0 369.377 2.602 20 30 FFEDRM Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H](C)CC(=O)[O-])ccc1Cl ZINC000832888063 602278451 /nfs/dbraw/zinc/27/84/51/602278451.db2.gz CYPCMEAXJPJYEB-GFCCVEGCSA-N -1 0 366.801 2.549 20 30 FFEDRM N#CCOc1cc(F)ccc1NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000833067389 602282895 /nfs/dbraw/zinc/28/28/95/602282895.db2.gz DKKQWZFTDFWWDA-UHFFFAOYSA-N -1 0 373.340 2.513 20 30 FFEDRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)CSc1ccc(C#N)cc1 ZINC000739095641 602508561 /nfs/dbraw/zinc/50/85/61/602508561.db2.gz MMHHMAZFMVCVCZ-UGSOOPFHSA-N -1 0 361.467 2.983 20 30 FFEDRM CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352646 602545185 /nfs/dbraw/zinc/54/51/85/602545185.db2.gz FCYNCMQRZQJZFK-AWEZNQCLSA-N -1 0 364.833 2.614 20 30 FFEDRM CN(CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000737389366 602571805 /nfs/dbraw/zinc/57/18/05/602571805.db2.gz NNMKKIAMFMSNFX-KRWDZBQOSA-N -1 0 353.378 2.556 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])o1 ZINC000740323754 602579093 /nfs/dbraw/zinc/57/90/93/602579093.db2.gz QOUPXYPYGDJXIG-AWEZNQCLSA-N -1 0 369.377 2.602 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000740323440 602582228 /nfs/dbraw/zinc/58/22/28/602582228.db2.gz PLKMZLRTTALLOB-OAHLLOKOSA-N -1 0 369.377 2.602 20 30 FFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738818740 602602627 /nfs/dbraw/zinc/60/26/27/602602627.db2.gz CMRGSRRNIAZPIN-QGZVFWFLSA-N -1 0 358.442 2.868 20 30 FFEDRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000739315229 602676766 /nfs/dbraw/zinc/67/67/66/602676766.db2.gz WXDAMJHDGDZLFM-RYUDHWBXSA-N -1 0 359.304 2.702 20 30 FFEDRM N#C[C@@H](C(=O)c1csc(CNC(=O)[O-])n1)c1ccc2ccccc2n1 ZINC000740304690 602728261 /nfs/dbraw/zinc/72/82/61/602728261.db2.gz WXLDGMVHOZFEHW-LLVKDONJSA-N -1 0 352.375 2.949 20 30 FFEDRM C[C@@H]1CN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@H](C)N1C(=O)[O-] ZINC000739178877 602830775 /nfs/dbraw/zinc/83/07/75/602830775.db2.gz SRBPBLPHOWSEJA-FRRDWIJNSA-N -1 0 372.450 2.545 20 30 FFEDRM C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823694079 602998490 /nfs/dbraw/zinc/99/84/90/602998490.db2.gz OQKSEMMMOKIRNF-KDOFPFPSSA-N -1 0 367.405 2.698 20 30 FFEDRM CC(C)(CC(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)NC(=O)[O-] ZINC000738732451 603047880 /nfs/dbraw/zinc/04/78/80/603047880.db2.gz LCYYGVZYTVYZCA-LLVKDONJSA-N -1 0 359.304 2.702 20 30 FFEDRM CON=Cc1ccc(C(=O)N2CCN(C(=O)[O-])CC23CCCCC3)cc1 ZINC000739847950 603063432 /nfs/dbraw/zinc/06/34/32/603063432.db2.gz ABDGDTKLYNKSGW-UHFFFAOYSA-N -1 0 359.426 2.806 20 30 FFEDRM COCCN(CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000739827514 603087079 /nfs/dbraw/zinc/08/70/79/603087079.db2.gz FEKVEEYSLHYMSO-UHFFFAOYSA-N -1 0 354.362 2.757 20 30 FFEDRM O=C([O-])NC[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000740608742 603118744 /nfs/dbraw/zinc/11/87/44/603118744.db2.gz RQHDQDDPGJUVCT-SFHVURJKSA-N -1 0 364.405 2.649 20 30 FFEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739543048 603161003 /nfs/dbraw/zinc/16/10/03/603161003.db2.gz VMBUHBNGVOLPFZ-AWEZNQCLSA-N -1 0 359.426 2.895 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000739209448 603206842 /nfs/dbraw/zinc/20/68/42/603206842.db2.gz OGHVSUUFYPAOFY-OWCLPIDISA-N -1 0 359.426 2.810 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1OC ZINC000736114625 603209152 /nfs/dbraw/zinc/20/91/52/603209152.db2.gz ZFRAJCCJEMSLQS-SOIVGHGOSA-N -1 0 360.410 2.532 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])cc1 ZINC000823511107 603288372 /nfs/dbraw/zinc/28/83/72/603288372.db2.gz PHVDRTVMFQOXLL-ZBFHGGJFSA-N -1 0 374.441 2.550 20 30 FFEDRM C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000739126131 603358762 /nfs/dbraw/zinc/35/87/62/603358762.db2.gz BRTWTMIECKRSSN-WMLDXEAASA-N -1 0 359.426 2.612 20 30 FFEDRM N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)c2)cc1 ZINC000740321203 603391947 /nfs/dbraw/zinc/39/19/47/603391947.db2.gz AFLAREIDKDYWTH-QGZVFWFLSA-N -1 0 365.389 2.619 20 30 FFEDRM COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000828619788 603567021 /nfs/dbraw/zinc/56/70/21/603567021.db2.gz YOGFNJVAKRDUAY-KSZLIROESA-N -1 0 371.437 2.627 20 30 FFEDRM N#Cc1cc(F)ccc1NC(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000831117678 603590883 /nfs/dbraw/zinc/59/08/83/603590883.db2.gz CGFIKPWOPHMOJS-UHFFFAOYSA-N -1 0 356.357 2.829 20 30 FFEDRM CCN(CC1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1)C(=O)[O-] ZINC000827074681 603592266 /nfs/dbraw/zinc/59/22/66/603592266.db2.gz CUFCXGDNKNCCIR-UHFFFAOYSA-N -1 0 360.414 2.811 20 30 FFEDRM O=C([O-])N1CCC[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000831609664 603749686 /nfs/dbraw/zinc/74/96/86/603749686.db2.gz APZSPQJLTOQRHV-CYBMUJFWSA-N -1 0 354.328 2.563 20 30 FFEDRM CC(C)(CNC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000823969598 603792749 /nfs/dbraw/zinc/79/27/49/603792749.db2.gz RBILRNXWWYKUJN-UHFFFAOYSA-N -1 0 358.423 2.838 20 30 FFEDRM C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1C ZINC000823522037 603876534 /nfs/dbraw/zinc/87/65/34/603876534.db2.gz PZLXANBTQHLPDN-HUUCEWRRSA-N -1 0 362.426 2.843 20 30 FFEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823875859 603935432 /nfs/dbraw/zinc/93/54/32/603935432.db2.gz GOCJCLTYZWCKCX-KGLIPLIRSA-N -1 0 359.430 2.863 20 30 FFEDRM N#C[C@@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1ccc(F)cc1 ZINC000831070965 603943210 /nfs/dbraw/zinc/94/32/10/603943210.db2.gz VZGSGZWCRDBRDJ-IAGOWNOFSA-N -1 0 355.369 2.776 20 30 FFEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000829604965 604011473 /nfs/dbraw/zinc/01/14/73/604011473.db2.gz UHLMKELTDZCIQE-SJKOYZFVSA-N -1 0 353.378 2.753 20 30 FFEDRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000825196167 604047046 /nfs/dbraw/zinc/04/70/46/604047046.db2.gz YWUCZVLIXACGFH-WFASDCNBSA-N -1 0 355.398 2.619 20 30 FFEDRM C[C@H](OC(=O)C1(NC(=O)[O-])Cc2ccccc2C1)c1ccc(C#N)cc1 ZINC000825551842 604049355 /nfs/dbraw/zinc/04/93/55/604049355.db2.gz KOPMGRAGMICGKD-ZDUSSCGKSA-N -1 0 350.374 2.968 20 30 FFEDRM COc1cccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CCO2)c1 ZINC000832540163 604507753 /nfs/dbraw/zinc/50/77/53/604507753.db2.gz LPGJVUBIXRGZBP-RBUKOAKNSA-N -1 0 352.390 2.766 20 30 FFEDRM COc1cc(OC)cc([C@@H](OC(=O)CCc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832072590 604557946 /nfs/dbraw/zinc/55/79/46/604557946.db2.gz DQTGLLHWGAPBCS-LJQANCHMSA-N -1 0 369.373 2.877 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])o1 ZINC000833076413 604567607 /nfs/dbraw/zinc/56/76/07/604567607.db2.gz DVGYXTIVYINLFM-AWEZNQCLSA-N -1 0 354.362 2.810 20 30 FFEDRM CC(=O)N[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1C#N)c1cccs1 ZINC000833396040 604579577 /nfs/dbraw/zinc/57/95/77/604579577.db2.gz NPPHGJVDLWJAFW-HNNXBMFYSA-N -1 0 372.402 2.629 20 30 FFEDRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(Cc1cccc(C(=O)[O-])c1C#N)C2=O ZINC000833593518 604675313 /nfs/dbraw/zinc/67/53/13/604675313.db2.gz IKBGBTHJVNRUPJ-RYUDHWBXSA-N -1 0 355.394 2.503 20 30 FFEDRM N#CCn1c(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc2ccccc21 ZINC000833069382 604724026 /nfs/dbraw/zinc/72/40/26/604724026.db2.gz VKFDBQCKBQQYPZ-UHFFFAOYSA-N -1 0 354.391 2.891 20 30 FFEDRM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2C#N)CCCC[C@H]1C(=O)[O-] ZINC000833573020 604808180 /nfs/dbraw/zinc/80/81/80/604808180.db2.gz XCERVVFHJBVJCN-NHYWBVRUSA-N -1 0 356.831 2.523 20 30 FFEDRM O=C([O-])c1ccc(C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)nc1 ZINC000833312175 604861564 /nfs/dbraw/zinc/86/15/64/604861564.db2.gz PIYXQSCFWMQQDQ-UHFFFAOYSA-N -1 0 365.263 2.887 20 30 FFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000833376456 604911418 /nfs/dbraw/zinc/91/14/18/604911418.db2.gz VDSIFWPCDDROLN-UHFFFAOYSA-N -1 0 356.400 2.670 20 30 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Cc1cn(C(C)(C)C(=O)[N-]Oc2cccc(C#N)c2)nc1C(F)(F)F ZINC000870692124 731545377 /nfs/dbraw/zinc/54/53/77/731545377.db2.gz YLVCFUYBRLRWGY-UHFFFAOYSA-N -1 0 352.316 2.927 20 30 FFEDRM C=C(C)CS(=O)(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000656524238 731590853 /nfs/dbraw/zinc/59/08/53/731590853.db2.gz FUGNNVCPFWXOLN-LBPRGKRZSA-N -1 0 352.239 2.957 20 30 FFEDRM C=CCCS(=O)(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000656525392 731591437 /nfs/dbraw/zinc/59/14/37/731591437.db2.gz WLPCBZYPISHCLX-GFCCVEGCSA-N -1 0 352.239 2.957 20 30 FFEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000656614694 731606161 /nfs/dbraw/zinc/60/61/61/731606161.db2.gz NAVXQVDDMNQPEC-KRWDZBQOSA-N -1 0 366.483 2.549 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC000656719394 731629782 /nfs/dbraw/zinc/62/97/82/731629782.db2.gz WSTYFQOEEGOHDK-SWLSCSKDSA-N -1 0 353.440 2.807 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC000656719111 731629833 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Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cccc(F)c3C#N)cc2c1 ZINC000781597056 738639700 /nfs/dbraw/zinc/63/97/00/738639700.db2.gz DAKLZYMJHZILCG-UHFFFAOYSA-N -1 0 358.350 2.871 20 30 FFEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)c1cc(F)cc(Cl)c1 ZINC000781593623 738639063 /nfs/dbraw/zinc/63/90/63/738639063.db2.gz GXHXOWGFLPPPMR-UHFFFAOYSA-N -1 0 356.737 2.609 20 30 FFEDRM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]c1ccc(C2CC2)c(C#N)c1 ZINC000882790511 733294917 /nfs/dbraw/zinc/29/49/17/733294917.db2.gz BCMSETAGPJEFJN-UHFFFAOYSA-N -1 0 370.356 2.989 20 30 FFEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000782258394 738703006 /nfs/dbraw/zinc/70/30/06/738703006.db2.gz XUWFLYQJUSNUDR-UHFFFAOYSA-N -1 0 356.325 2.913 20 30 FFEDRM Cn1nc(Br)cc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000782346543 738712278 /nfs/dbraw/zinc/71/22/78/738712278.db2.gz AHRSYQYBTHYKPY-HWKANZROSA-N -1 0 352.144 2.693 20 30 FFEDRM C=CCS(=O)(=O)[N-]C(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000782625111 738739494 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2.510 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594485954 959662664 /nfs/dbraw/zinc/66/26/64/959662664.db2.gz DRZWSHXEUOLGND-MRXNPFEDSA-N -1 0 360.458 2.592 20 30 FFEDRM O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCCN1Cc1ccccc1 ZINC000255052935 960240341 /nfs/dbraw/zinc/24/03/41/960240341.db2.gz WFCDFGFFRWBDOU-BRLDDBHUSA-N -1 0 353.378 2.911 20 30 FFEDRM Cc1nc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)sc1C ZINC000683689381 961820729 /nfs/dbraw/zinc/82/07/29/961820729.db2.gz BWYQPNPAYFJJMY-LBPRGKRZSA-N -1 0 365.422 2.761 20 30 FFEDRM CN(C)C(=O)COc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748145883 962264181 /nfs/dbraw/zinc/26/41/81/962264181.db2.gz CETLOXXOHCEFSW-CLFYSBASSA-N -1 0 370.361 2.664 20 30 FFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CC2 ZINC000656182659 962576687 /nfs/dbraw/zinc/57/66/87/962576687.db2.gz TYJGDQCQDBRETQ-UHFFFAOYSA-N -1 0 371.418 2.694 20 30 FFEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3cc(C#N)nc4ccccc43)C2)cn1 ZINC000873069977 1013372402 /nfs/dbraw/zinc/37/24/02/1013372402.db2.gz OYMBHXNOPOZDPT-KGLIPLIRSA-N -1 0 361.405 2.535 20 30 FFEDRM CC#CCCNC(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000306101320 963186591 /nfs/dbraw/zinc/18/65/91/963186591.db2.gz PMGLWPCLCFYQFW-UHFFFAOYSA-N -1 0 372.162 2.524 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000796675568 964094123 /nfs/dbraw/zinc/09/41/23/964094123.db2.gz BIPDPTNRFGCWDE-UHFFFAOYSA-N -1 0 369.446 2.525 20 30 FFEDRM COc1ccc2c(c1)CC[C@@H]2C(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000873426015 1013514854 /nfs/dbraw/zinc/51/48/54/1013514854.db2.gz HGUZPGCFUOFPIE-JKSUJKDBSA-N -1 0 370.430 2.910 20 30 FFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](c2cccc(F)c2)N2CCOCC2)c1 ZINC000255493030 966271155 /nfs/dbraw/zinc/27/11/55/966271155.db2.gz ONIKQNYNHHNPDJ-UZQMFHLOSA-N -1 0 373.384 2.932 20 30 FFEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000126759725 967214696 /nfs/dbraw/zinc/21/46/96/967214696.db2.gz LGMOPHIRHUZKAB-LJQANCHMSA-N -1 0 358.401 2.570 20 30 FFEDRM C=C[C@H](COC)[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001211606615 967869350 /nfs/dbraw/zinc/86/93/50/967869350.db2.gz WPKIKRCTJYCQDR-SECBINFHSA-N -1 0 360.229 2.675 20 30 FFEDRM C=CCCCCCCNC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC000874401476 1013832245 /nfs/dbraw/zinc/83/22/45/1013832245.db2.gz MIULUKSSXIFBGF-HOTGVXAUSA-N -1 0 362.474 2.756 20 30 FFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000255845981 969023630 /nfs/dbraw/zinc/02/36/30/969023630.db2.gz MBCUAEXCEQKCAZ-RXWSAZGZSA-N -1 0 355.394 2.793 20 30 FFEDRM CN(CCc1cccc(C#N)c1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000874405098 969384592 /nfs/dbraw/zinc/38/45/92/969384592.db2.gz NVHFDPYJSBEIPT-OAQYLSRUSA-N -1 0 365.433 2.785 20 30 FFEDRM Cc1c(C)n(Cc2ccco2)c(NC(=O)CS[C@H](C)C(=O)[O-])c1C#N ZINC001610407101 970739502 /nfs/dbraw/zinc/73/95/02/970739502.db2.gz PNEXJWMERHYDNB-GFCCVEGCSA-N -1 0 361.423 2.763 20 30 FFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(C(=O)[O-])ccc1F ZINC001605591902 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1014419896 /nfs/dbraw/zinc/41/98/96/1014419896.db2.gz RKWCWZVABUXNCU-UXHICEINSA-N -1 0 363.413 2.791 20 30 FFEDRM C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccccc1 ZINC001592586483 978509085 /nfs/dbraw/zinc/50/90/85/978509085.db2.gz LELIFKCKCMJJIR-ZDUSSCGKSA-N -1 0 358.419 2.681 20 30 FFEDRM CC[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1Cc1ccc(C#N)o1 ZINC001595017993 979087110 /nfs/dbraw/zinc/08/71/10/979087110.db2.gz OFRXBHGEOBKUPR-GFCCVEGCSA-N -1 0 357.414 2.606 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001592833792 979572415 /nfs/dbraw/zinc/57/24/15/979572415.db2.gz JZELFJVVMVKKQZ-RNODOKPDSA-N -1 0 354.381 2.992 20 30 FFEDRM CC[C@@](CNC(=O)CNc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001595143990 979605633 /nfs/dbraw/zinc/60/56/33/979605633.db2.gz CDQYQYDMPCBWSJ-FQEVSTJZSA-N -1 0 351.406 2.519 20 30 FFEDRM CC[C@](CNC(=O)c1cc(F)c(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001595159559 979676260 /nfs/dbraw/zinc/67/62/60/979676260.db2.gz ZSQDNPDHTJPTDF-LJQANCHMSA-N 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ZINC000179218891 981543925 /nfs/dbraw/zinc/54/39/25/981543925.db2.gz OSGSKVVRKWXVNK-KRWDZBQOSA-N -1 0 372.446 2.920 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000909238005 981661411 /nfs/dbraw/zinc/66/14/11/981661411.db2.gz MOIZTIWIYROJAK-WDSOQIARSA-N -1 0 368.433 2.726 20 30 FFEDRM CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595619656 981679902 /nfs/dbraw/zinc/67/99/02/981679902.db2.gz LCZPQEAIJDRLJT-WFASDCNBSA-N -1 0 350.440 2.846 20 30 FFEDRM CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595622517 981711130 /nfs/dbraw/zinc/71/11/30/981711130.db2.gz RRIHSTAAIFVAHL-ZFWWWQNUSA-N -1 0 350.440 2.894 20 30 FFEDRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1ccc(C)cc1C#N ZINC001594786692 981814532 /nfs/dbraw/zinc/81/45/32/981814532.db2.gz YTWXRIXVGOZAME-KRWDZBQOSA-N -1 0 350.440 2.521 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cccc(COC2CCOCC2)c1)C(=O)[O-] ZINC000910916988 982093451 /nfs/dbraw/zinc/09/34/51/982093451.db2.gz KVTDLZVSMRKRDN-SFHVURJKSA-N -1 0 361.438 2.922 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCc2ccccc23)CCCCC1 ZINC000760402703 982394748 /nfs/dbraw/zinc/39/47/48/982394748.db2.gz WIZQUIYIYSCVCP-YLJYHZDGSA-N -1 0 372.490 2.811 20 30 FFEDRM CCN([C@H](C)C#N)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001596178475 983548223 /nfs/dbraw/zinc/54/82/23/983548223.db2.gz RBDLZECBXVOBNN-SSDOTTSWSA-N -1 0 351.211 2.614 20 30 FFEDRM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C[C@H](C)C#N ZINC001596212989 983604736 /nfs/dbraw/zinc/60/47/36/983604736.db2.gz YPHOEKWPJOVMRC-NWDGAFQWSA-N -1 0 363.483 2.991 20 30 FFEDRM C=C(C)[C@H](CC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)OCC ZINC000912865370 984139348 /nfs/dbraw/zinc/13/93/48/984139348.db2.gz FHGICPSXOQGLIA-INIZCTEOSA-N -1 0 356.426 2.894 20 30 FFEDRM N#Cc1ccc(CC(=O)Nc2ccc(-n3[n-]c(C4CC4)cc3=O)nc2)cc1 ZINC000912867283 984139937 /nfs/dbraw/zinc/13/99/37/984139937.db2.gz AHMKGMWIKFHKOZ-UHFFFAOYSA-N -1 0 359.389 2.637 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1C#N ZINC001596666523 984730840 /nfs/dbraw/zinc/73/08/40/984730840.db2.gz HVQWFRFLKQJZAW-UHFFFAOYSA-N -1 0 357.322 2.979 20 30 FFEDRM CCOC(=O)Nc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1C#N ZINC001596666528 984731080 /nfs/dbraw/zinc/73/10/80/984731080.db2.gz HZJDPVCWLSFLRC-UHFFFAOYSA-N -1 0 374.397 2.893 20 30 FFEDRM C#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000761212753 984909377 /nfs/dbraw/zinc/90/93/77/984909377.db2.gz RQFPYVJCFGHUBW-CQSZACIVSA-N -1 0 373.430 2.983 20 30 FFEDRM COc1ccc(Cn2nnc(C([O-])=C(C#N)c3nc(C)cs3)c2C)cc1 ZINC000651259628 1015087829 /nfs/dbraw/zinc/08/78/29/1015087829.db2.gz XSIFSLAZLHRPDZ-HNNXBMFYSA-N -1 0 367.434 2.898 20 30 FFEDRM C#CC[C@H](NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1)c1ccccc1 ZINC000761289084 985112370 /nfs/dbraw/zinc/11/23/70/985112370.db2.gz MDFNLZOUYDWHGF-KRWDZBQOSA-N -1 0 373.430 2.501 20 30 FFEDRM C[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@]1(C)C(=O)[O-] ZINC001599919749 985114012 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1080076874 /nfs/dbraw/zinc/07/68/74/1080076874.db2.gz PTDRJBUKKNFSJC-GOSISDBHSA-N -1 0 357.793 2.815 20 30 FFEDRM C#Cc1ccccc1CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001588528646 1080079738 /nfs/dbraw/zinc/07/97/38/1080079738.db2.gz CXVOQIWNFRNPHC-UHFFFAOYSA-N -1 0 351.358 2.709 20 30 FFEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)C(=O)[O-] ZINC001588537831 1080084545 /nfs/dbraw/zinc/08/45/45/1080084545.db2.gz ZFRCDZWGJQDYNQ-HIFRSBDPSA-N -1 0 364.467 2.591 20 30 FFEDRM C=C(C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)c(F)c1 ZINC001588535828 1080084607 /nfs/dbraw/zinc/08/46/07/1080084607.db2.gz RKDAGPRFLGJRBC-AWEZNQCLSA-N -1 0 357.334 2.852 20 30 FFEDRM C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588536660 1080085058 /nfs/dbraw/zinc/08/50/58/1080085058.db2.gz TWSQOYOOJXFESC-HZPDHXFCSA-N -1 0 362.474 2.684 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C)C(=O)[O-] ZINC001588547498 1080090391 /nfs/dbraw/zinc/09/03/91/1080090391.db2.gz 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C=C(C)Cn1c(Cc2cscn2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588598604 1080119527 /nfs/dbraw/zinc/11/95/27/1080119527.db2.gz IEYONMQDJGAXFQ-QGZVFWFLSA-N -1 0 361.471 2.593 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001588613642 1080122856 /nfs/dbraw/zinc/12/28/56/1080122856.db2.gz AVMYERALNNYDFG-UHFFFAOYSA-N -1 0 368.474 2.903 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001588618857 1080124182 /nfs/dbraw/zinc/12/41/82/1080124182.db2.gz CKLRLLPISWDANA-INIZCTEOSA-N -1 0 374.220 2.919 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1c(C)cnn1Cc1ccc(OC)c(OC)c1 ZINC001588630693 1080128557 /nfs/dbraw/zinc/12/85/57/1080128557.db2.gz XQDGNPKQGSUCOC-UHFFFAOYSA-N -1 0 373.409 2.617 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588642116 1080134438 /nfs/dbraw/zinc/13/44/38/1080134438.db2.gz QERXRKMODQCFLC-RAIGVLPGSA-N -1 0 374.865 2.592 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001588641850 1080134629 /nfs/dbraw/zinc/13/46/29/1080134629.db2.gz KBQYTNCAVDPYDI-LLVKDONJSA-N -1 0 371.821 2.698 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)OC1CCCC1 ZINC001588697182 1080159030 /nfs/dbraw/zinc/15/90/30/1080159030.db2.gz SUAVHGFTVJPSHB-UHFFFAOYSA-N -1 0 366.429 2.622 20 30 FFEDRM C=CCn1c([C@H](C)CC)nnc1N(C)Cc1cc(-c2nn[nH]n2)cs1 ZINC001588704592 1080161720 /nfs/dbraw/zinc/16/17/20/1080161720.db2.gz MQWXAIXGVPDJFX-LLVKDONJSA-N -1 0 358.475 2.856 20 30 FFEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588719124 1080169541 /nfs/dbraw/zinc/16/95/41/1080169541.db2.gz LMDOVRIAQGXULN-JTQLQIEISA-N -1 0 374.256 2.877 20 30 FFEDRM C=CC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC001588731617 1080174754 /nfs/dbraw/zinc/17/47/54/1080174754.db2.gz LLNAVOMQBJAHHL-ZIAGYGMSSA-N -1 0 358.207 2.991 20 30 FFEDRM C=CC[C@@H](NC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)c1ccncc1 ZINC001588742691 1080178505 /nfs/dbraw/zinc/17/85/05/1080178505.db2.gz IUSPZDIEQKOYHX-DOMZBBRYSA-N -1 0 357.332 2.747 20 30 FFEDRM C=CC[C@H](OC(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1)C(=O)[O-] ZINC001588753996 1080181693 /nfs/dbraw/zinc/18/16/93/1080181693.db2.gz QXHZMGQCGFGZNN-ZDUSSCGKSA-N -1 0 365.382 2.597 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc3c(c2)OCCO3)o1 ZINC001588781390 1080193227 /nfs/dbraw/zinc/19/32/27/1080193227.db2.gz ZMFQFFLRRUIGMT-UHFFFAOYSA-N -1 0 369.385 2.585 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccnn2C2CCC2)o1 ZINC001588782229 1080194682 /nfs/dbraw/zinc/19/46/82/1080194682.db2.gz QFZCXIAZSASOBJ-UHFFFAOYSA-N -1 0 369.433 2.811 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588793962 1080199842 /nfs/dbraw/zinc/19/98/42/1080199842.db2.gz HAFWOHFXSIZADI-RRFJBIMHSA-N -1 0 368.474 2.805 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)C(=O)[O-] ZINC001588797699 1080200593 /nfs/dbraw/zinc/20/05/93/1080200593.db2.gz JRBDMCNRQRNAMU-LBPRGKRZSA-N -1 0 350.440 2.944 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)[O-] ZINC001588797381 1080200863 /nfs/dbraw/zinc/20/08/63/1080200863.db2.gz DJPWEVFOGIRBJZ-CQSZACIVSA-N -1 0 371.842 2.802 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nnn(Cc2ccc(F)cc2)c1CC)C(=O)[O-] ZINC001588798007 1080200984 /nfs/dbraw/zinc/20/09/84/1080200984.db2.gz QXDHDZDAJVRXIA-OAHLLOKOSA-N -1 0 374.416 2.567 20 30 FFEDRM C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588805775 1080204049 /nfs/dbraw/zinc/20/40/49/1080204049.db2.gz NSHUNKDKKUKJHW-CYBMUJFWSA-N -1 0 361.833 2.871 20 30 FFEDRM C=CCCSCCNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001588814782 1080206523 /nfs/dbraw/zinc/20/65/23/1080206523.db2.gz QSCRPEHVTFUFNX-JKSUJKDBSA-N -1 0 364.467 2.511 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001588825128 1080208363 /nfs/dbraw/zinc/20/83/63/1080208363.db2.gz AWWUBWAGOCBABH-UHFFFAOYSA-N -1 0 353.378 2.779 20 30 FFEDRM C=CCN(CCC#N)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588826834 1080209364 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C[C@@H](CCc1ccc(Br)cc1)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820095900 598224983 /nfs/dbraw/zinc/22/49/83/598224983.db2.gz VTYCXKVWZMMZBU-ZBEGNZNMSA-N -1 0 367.243 2.891 20 30 FFEDRM C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820106936 598225379 /nfs/dbraw/zinc/22/53/79/598225379.db2.gz DEFAALMZXVJCNS-MEBBXXQBSA-N -1 0 353.216 2.501 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000819856457 598227714 /nfs/dbraw/zinc/22/77/14/598227714.db2.gz IURWYEWQCGWIKT-INIZCTEOSA-N -1 0 360.757 2.865 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000819857121 598229178 /nfs/dbraw/zinc/22/91/78/598229178.db2.gz RUEAGRDIBNLDBA-GOSISDBHSA-N -1 0 357.341 2.743 20 30 FFEDRM COc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(OC2CCCC2)c1 ZINC000820837269 598229678 /nfs/dbraw/zinc/22/96/78/598229678.db2.gz WACKMPJQSTYJMF-IBGZPJMESA-N -1 0 360.410 2.637 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000819810816 598230811 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CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000736374665 599815145 /nfs/dbraw/zinc/81/51/45/599815145.db2.gz IGCASNFOJGHAFP-MRXNPFEDSA-N -1 0 354.366 2.976 20 30 FFEDRM CN(CCCC(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000737416096 599911893 /nfs/dbraw/zinc/91/18/93/599911893.db2.gz YJEJHPSFVLEWTH-JTQLQIEISA-N -1 0 355.753 2.516 20 30 FFEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736701223 599950852 /nfs/dbraw/zinc/95/08/52/599950852.db2.gz RHZJPYSTODOQSF-CZUORRHYSA-N -1 0 370.380 2.524 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736701218 599951007 /nfs/dbraw/zinc/95/10/07/599951007.db2.gz RHZJPYSTODOQSF-BBRMVZONSA-N -1 0 370.380 2.524 20 30 FFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736707218 599973388 /nfs/dbraw/zinc/97/33/88/599973388.db2.gz LEORGTHDENCFTQ-MGPLVRAMSA-N -1 0 360.316 2.546 20 30 FFEDRM Cc1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)C(=O)[O-])s1 ZINC000738263234 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C=C(Cl)C[C@H](NC(=O)Nc1ccc(OCCOC)c(F)c1)C(=O)[O-] ZINC000864581855 730861675 /nfs/dbraw/zinc/86/16/75/730861675.db2.gz GSTYSKIJLMWKLH-LBPRGKRZSA-N -1 0 360.769 2.568 20 30 FFEDRM C=CCC[C@H](NC(=O)NCc1ccc(Br)cc1C)C(=O)[O-] ZINC000654802663 731396811 /nfs/dbraw/zinc/39/68/11/731396811.db2.gz VYVHUQNHAOLEGM-ZDUSSCGKSA-N -1 0 355.232 2.976 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2Cc3ccc(Cl)cc32)CCCC1 ZINC000870273116 731489774 /nfs/dbraw/zinc/48/97/74/731489774.db2.gz LFLNYMPIBCHKHY-CQSZACIVSA-N -1 0 352.843 2.510 20 30 FFEDRM C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1 ZINC000870835123 731564133 /nfs/dbraw/zinc/56/41/33/731564133.db2.gz CUFCAFIRKBNECP-LLVKDONJSA-N -1 0 355.843 2.714 20 30 FFEDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000871268405 731613910 /nfs/dbraw/zinc/61/39/10/731613910.db2.gz KRRZCDVKOMWMJL-JTQLQIEISA-N -1 0 360.229 2.885 20 30 FFEDRM Cc1cc(C)c(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)c(C)c1CC(=O)[O-] ZINC000871926055 731702410 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C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588394289 1080007522 /nfs/dbraw/zinc/00/75/22/1080007522.db2.gz JWGARCNBDRIDKM-KRWDZBQOSA-N -1 0 363.479 2.576 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC001588409645 1080014109 /nfs/dbraw/zinc/01/41/09/1080014109.db2.gz IKEHGHRGOMJWPJ-CYBMUJFWSA-N -1 0 371.206 2.769 20 30 FFEDRM C#CC[C@H](NC(=O)c1cc2sc(Br)cc2s1)C(=O)[O-] ZINC001588414180 1080017427 /nfs/dbraw/zinc/01/74/27/1080017427.db2.gz JBHHOCDIPRTRMQ-LURJTMIESA-N -1 0 358.238 2.932 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC001588416386 1080018341 /nfs/dbraw/zinc/01/83/41/1080018341.db2.gz MDIDTWZQQJTCGP-UHFFFAOYSA-N -1 0 350.168 2.664 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(CC)nc2onc(CC(C)(C)C)c21 ZINC001588416497 1080018562 /nfs/dbraw/zinc/01/85/62/1080018562.db2.gz PXJGSCNIBWTDQS-UHFFFAOYSA-N -1 0 357.410 2.534 20 30 FFEDRM C#CC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[O-] ZINC001588415920 1080019677 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2.832 20 30 FFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739122265 600295725 /nfs/dbraw/zinc/29/57/25/600295725.db2.gz DHVWKQRBIQIHPE-SFHVURJKSA-N -1 0 364.405 2.933 20 30 FFEDRM CCCCOc1c(Cl)cc(C(=O)N(CC#N)CC(=O)[O-])cc1OC ZINC000736999714 600409752 /nfs/dbraw/zinc/40/97/52/600409752.db2.gz YVNZPAPYZQETTR-UHFFFAOYSA-N -1 0 354.790 2.578 20 30 FFEDRM C=CCOc1ccccc1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000736114056 600582057 /nfs/dbraw/zinc/58/20/57/600582057.db2.gz KCCNVFOPAVADKG-HNNXBMFYSA-N -1 0 355.390 2.630 20 30 FFEDRM C[C@@H]1CN(c2ccc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 ZINC000736827872 600594575 /nfs/dbraw/zinc/59/45/75/600594575.db2.gz VNZJDIGNNQPUPJ-LPMFXHHGSA-N -1 0 366.421 2.805 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)Cc2coc3cc(O)ccc23)C(=O)[O-])cc1 ZINC000739115975 600604308 /nfs/dbraw/zinc/60/43/08/600604308.db2.gz WOXDTWHIRYZYQA-GOSISDBHSA-N -1 0 351.314 2.922 20 30 FFEDRM COc1ccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738043624 600606598 /nfs/dbraw/zinc/60/65/98/600606598.db2.gz DFLVQSMIQMSRCL-SJCJKPOMSA-N -1 0 355.346 2.703 20 30 FFEDRM CC[S@](=O)c1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737231011 600609545 /nfs/dbraw/zinc/60/95/45/600609545.db2.gz XYNAUIGTKRKUPZ-LMKMVOKYSA-N -1 0 357.387 2.668 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc3c(c2)CCCC(=O)N3)C(=O)[O-])cc1 ZINC000739115386 600611277 /nfs/dbraw/zinc/61/12/77/600611277.db2.gz QAAHQGDJIITURN-GOSISDBHSA-N -1 0 364.357 2.816 20 30 FFEDRM CC1(C)Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c(O)c2O1 ZINC000736737581 600615648 /nfs/dbraw/zinc/61/56/48/600615648.db2.gz SUWCZOFLRVQOAX-QGZVFWFLSA-N -1 0 367.357 2.960 20 30 FFEDRM CCN(C)C(=O)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737068285 600616391 /nfs/dbraw/zinc/61/63/91/600616391.db2.gz WMYAAQKMTDSHNU-QGZVFWFLSA-N -1 0 366.373 2.633 20 30 FFEDRM CN(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(Cl)n1 ZINC000737374427 600618360 /nfs/dbraw/zinc/61/83/60/600618360.db2.gz PEPURWHXYYJJQZ-OAHLLOKOSA-N -1 0 359.769 2.655 20 30 FFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736098055 600656847 /nfs/dbraw/zinc/65/68/47/600656847.db2.gz QKPAETDHRJSLMD-UHFFFAOYSA-N -1 0 354.353 2.806 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000738317942 600721519 /nfs/dbraw/zinc/72/15/19/600721519.db2.gz CNLZZWPOGLBNDY-UHFFFAOYSA-N -1 0 351.767 2.986 20 30 FFEDRM N#Cc1c(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)cn2ccccc12 ZINC000833068869 600732695 /nfs/dbraw/zinc/73/26/95/600732695.db2.gz FVPJQWDFZWBSPB-UHFFFAOYSA-N -1 0 351.318 2.963 20 30 FFEDRM COc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1N1CCOC1=O ZINC000832407516 600760583 /nfs/dbraw/zinc/76/05/83/600760583.db2.gz GSRIOFCOCJYMER-KRWDZBQOSA-N -1 0 367.361 2.761 20 30 FFEDRM COc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000832330386 600779637 /nfs/dbraw/zinc/77/96/37/600779637.db2.gz PJSSNNIDPRKKPA-GFCCVEGCSA-N -1 0 353.378 2.825 20 30 FFEDRM C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC000827603452 600935530 /nfs/dbraw/zinc/93/55/30/600935530.db2.gz QNJWPRRMNOLIKF-JTQLQIEISA-N -1 0 371.780 2.726 20 30 FFEDRM C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000825702169 600950391 /nfs/dbraw/zinc/95/03/91/600950391.db2.gz FVHRWRUFHMIPMB-UHFFFAOYSA-N -1 0 355.346 2.989 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736701326 601040051 /nfs/dbraw/zinc/04/00/51/601040051.db2.gz UREXBJONGYGICL-JTQLQIEISA-N -1 0 357.391 2.676 20 30 FFEDRM CCN(C(=O)CSCc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC000737060228 601125136 /nfs/dbraw/zinc/12/51/36/601125136.db2.gz HUZFXBZXFQVZTH-UHFFFAOYSA-N -1 0 361.448 2.999 20 30 FFEDRM N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000833073262 601189120 /nfs/dbraw/zinc/18/91/20/601189120.db2.gz KGOZDPDPTQQYIC-WDEREUQCSA-N -1 0 364.785 2.584 20 30 FFEDRM Cc1oc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1C(=O)[O-] ZINC000833026271 601219367 /nfs/dbraw/zinc/21/93/67/601219367.db2.gz CRDADDIBPYLUBI-UHFFFAOYSA-N -1 0 362.407 2.757 20 30 FFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000728509069 601236564 /nfs/dbraw/zinc/23/65/64/601236564.db2.gz OKFORJOHSDYUKE-UHFFFAOYSA-N -1 0 359.403 2.590 20 30 FFEDRM C=CC[C@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccncc1 ZINC000825665331 601245617 /nfs/dbraw/zinc/24/56/17/601245617.db2.gz YVPLHWGZIDDUJL-NADMHLTPSA-N -1 0 358.419 2.775 20 30 FFEDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000831563345 601291604 /nfs/dbraw/zinc/29/16/04/601291604.db2.gz DMEYWMVWCRPMHR-FQEVSTJZSA-N -1 0 369.421 2.575 20 30 FFEDRM COCCOc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000831774333 601299593 /nfs/dbraw/zinc/29/95/93/601299593.db2.gz URISOXFJQFNVBD-SFHVURJKSA-N -1 0 356.378 2.830 20 30 FFEDRM COc1ccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832425379 601345820 /nfs/dbraw/zinc/34/58/20/601345820.db2.gz XFAXBXMYQLCPBI-SJKOYZFVSA-N -1 0 355.346 2.703 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3c(c(Cl)c2)OCO3)C(=O)[O-])c1 ZINC000833077707 601347287 /nfs/dbraw/zinc/34/72/87/601347287.db2.gz ZIXPMQOPRGMKSS-CQSZACIVSA-N -1 0 359.721 2.923 20 30 FFEDRM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)n[nH]2)o1 ZINC000832906009 601349328 /nfs/dbraw/zinc/34/93/28/601349328.db2.gz NHOQOTLHRCYWFO-INIZCTEOSA-N -1 0 351.318 2.833 20 30 FFEDRM COC(=O)c1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831379512 601352808 /nfs/dbraw/zinc/35/28/08/601352808.db2.gz QNONNCHFYZXUCC-SFHVURJKSA-N -1 0 367.357 2.647 20 30 FFEDRM Cc1ccc([C@H](C)[C@H](O)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832922665 601354699 /nfs/dbraw/zinc/35/46/99/601354699.db2.gz YVFPEBNLHZGZAD-KKXDTOCCSA-N -1 0 353.374 2.700 20 30 FFEDRM C=CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccncc1 ZINC000825664506 601362373 /nfs/dbraw/zinc/36/23/73/601362373.db2.gz CHZXRZRSKOEUFC-AWEZNQCLSA-N -1 0 372.356 2.683 20 30 FFEDRM N#CCn1c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc2ccccc21 ZINC000833069464 601475601 /nfs/dbraw/zinc/47/56/01/601475601.db2.gz ZPCIZOQCEYDQEP-IBGZPJMESA-N -1 0 359.385 2.989 20 30 FFEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)C[C@@H](C)C(=O)[O-])c1 ZINC000825636234 601615693 /nfs/dbraw/zinc/61/56/93/601615693.db2.gz FKILJGDGFLJAFT-OAHLLOKOSA-N -1 0 357.431 2.725 20 30 FFEDRM N#Cc1cc(F)c(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(F)c1 ZINC000833068863 601673998 /nfs/dbraw/zinc/67/39/98/601673998.db2.gz OIPVEYAGXRFJAK-CQSZACIVSA-N -1 0 352.243 2.670 20 30 FFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000825967008 601721500 /nfs/dbraw/zinc/72/15/00/601721500.db2.gz QALKTSYXIJYHAN-STQMWFEESA-N -1 0 363.439 2.646 20 30 FFEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000833072015 601829483 /nfs/dbraw/zinc/82/94/83/601829483.db2.gz NDVBPUHBWSLIEF-UXHICEINSA-N -1 0 360.417 2.566 20 30 FFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c1 ZINC000823931603 607533082 /nfs/dbraw/zinc/53/30/82/607533082.db2.gz AQINRRPPSZZOKU-UHFFFAOYSA-N -1 0 371.422 2.541 20 30 FFEDRM N#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])cc1 ZINC000740305337 602100682 /nfs/dbraw/zinc/10/06/82/602100682.db2.gz MDBVWUGSAXJZPM-XIRDDKMYSA-N -1 0 357.410 2.516 20 30 FFEDRM Cc1nn(CC(F)(F)F)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833015919 602106380 /nfs/dbraw/zinc/10/63/80/602106380.db2.gz NMCZYIYIOJBIHY-CYBMUJFWSA-N -1 0 367.283 2.608 20 30 FFEDRM C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825647381 602197792 /nfs/dbraw/zinc/19/77/92/602197792.db2.gz LUVUCRQOPDYYRZ-ZFWWWQNUSA-N -1 0 373.482 2.662 20 30 FFEDRM C#CCSCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000825632406 602223403 /nfs/dbraw/zinc/22/34/03/602223403.db2.gz ZSARTNDFRDMYGH-UHFFFAOYSA-N -1 0 358.419 2.791 20 30 FFEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NCC2CCN(C(=O)[O-])CC2)c1 ZINC000740318889 602260229 /nfs/dbraw/zinc/26/02/29/602260229.db2.gz GZNRIXZDUAPEAZ-UHFFFAOYSA-N -1 0 368.340 2.671 20 30 FFEDRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000833249504 602350082 /nfs/dbraw/zinc/35/00/82/602350082.db2.gz SVTAWGARAXCPQE-UHFFFAOYSA-N -1 0 371.776 2.534 20 30 FFEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000736414294 602357357 /nfs/dbraw/zinc/35/73/57/602357357.db2.gz GNCKQUNXRQBMOG-QGZVFWFLSA-N -1 0 359.426 2.610 20 30 FFEDRM COc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1NC(=O)[O-] ZINC000739921459 602460457 /nfs/dbraw/zinc/46/04/57/602460457.db2.gz IFIVWKDAYWTGDS-UHFFFAOYSA-N -1 0 355.350 2.869 20 30 FFEDRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000739153248 602462932 /nfs/dbraw/zinc/46/29/32/602462932.db2.gz AEGSFLIKZGZUBL-CYBMUJFWSA-N -1 0 366.377 2.570 20 30 FFEDRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000738932492 602468090 /nfs/dbraw/zinc/46/80/90/602468090.db2.gz HMUFQZMIDUHGGZ-CQSZACIVSA-N -1 0 367.405 2.865 20 30 FFEDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000738935602 602572447 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C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@H](NC(=O)[O-])C2)c1=S ZINC000738504241 605899925 /nfs/dbraw/zinc/89/99/25/605899925.db2.gz YQAYXBQAGBYDFI-HNNXBMFYSA-N -1 0 373.482 2.875 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833378595 605914581 /nfs/dbraw/zinc/91/45/81/605914581.db2.gz KEVYYEAUYIFFLN-UHFFFAOYSA-N -1 0 368.389 2.513 20 30 FFEDRM N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740323149 605948922 /nfs/dbraw/zinc/94/89/22/605948922.db2.gz JDQGVTQRTZBCSL-KRWDZBQOSA-N -1 0 365.389 2.619 20 30 FFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000833966831 605972880 /nfs/dbraw/zinc/97/28/80/605972880.db2.gz OMDREEPBIBHSKM-VIFPVBQESA-N -1 0 361.707 2.687 20 30 FFEDRM NC(=NOCc1cccc(NC(=O)[O-])c1)c1ccc(Br)o1 ZINC000833980495 605993666 /nfs/dbraw/zinc/99/36/66/605993666.db2.gz OTWXYVQIOOQYGV-UHFFFAOYSA-N -1 0 354.160 2.969 20 30 FFEDRM COc1ccccc1CC(N=Nc1oc(C)nc1-c1nnn[n-]1)C(C)C ZINC000821889566 606238201 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FFEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000083765602 728414000 /nfs/dbraw/zinc/41/40/00/728414000.db2.gz ZAULLHRLYLCQIV-UHFFFAOYSA-N -1 0 363.414 2.897 20 30 FFEDRM Cc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)C3CCCC3)CC2=O)c1C ZINC000086056433 728431212 /nfs/dbraw/zinc/43/12/12/728431212.db2.gz ABVUPHJQSPEOAM-AWEZNQCLSA-N -1 0 364.467 2.885 20 30 FFEDRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000089964530 728447931 /nfs/dbraw/zinc/44/79/31/728447931.db2.gz OTFKQZAEYFMVCV-HNNXBMFYSA-N -1 0 358.463 2.920 20 30 FFEDRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)c2cnn(CC)c2)c1C1CC1 ZINC000089981014 728448299 /nfs/dbraw/zinc/44/82/99/728448299.db2.gz RVGVCGUJRQRIQL-NSHDSACASA-N -1 0 365.459 2.641 20 30 FFEDRM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000089982596 728448532 /nfs/dbraw/zinc/44/85/32/728448532.db2.gz QEXPIRJLVARWFG-INIZCTEOSA-N -1 0 371.478 2.723 20 30 FFEDRM CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)[nH]n1 ZINC000091125762 728455422 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CC1=CC(=O)C(=C([O-])C=Cc2cccc(OCC(F)(F)F)c2)C(=O)O1 ZINC000255899323 729648900 /nfs/dbraw/zinc/64/89/00/729648900.db2.gz FFWDVHVZBADWFZ-IYKSTZQJSA-N -1 0 354.280 2.856 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000262899373 729673773 /nfs/dbraw/zinc/67/37/73/729673773.db2.gz DPRPJSKUGJKKNZ-CQSZACIVSA-N -1 0 367.492 2.941 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262988854 729675806 /nfs/dbraw/zinc/67/58/06/729675806.db2.gz LGZVJVZLDZIODL-RNCFNFMXSA-N -1 0 362.209 2.533 20 30 FFEDRM CC[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315492 738454665 /nfs/dbraw/zinc/45/46/65/738454665.db2.gz XILQOAGSMKIBSY-CQSZACIVSA-N -1 0 368.430 2.513 20 30 FFEDRM C[C@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779315526 738454714 /nfs/dbraw/zinc/45/47/14/738454714.db2.gz YOKITGSTPUGIGM-LBPRGKRZSA-N -1 0 370.858 2.637 20 30 FFEDRM Cc1cccc(OCCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1C ZINC000779320794 738455420 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730739218 /nfs/dbraw/zinc/73/92/18/730739218.db2.gz PDQCZFNGGYQQOJ-CYBMUJFWSA-N -1 0 351.387 2.736 20 30 FFEDRM C=CCOC[C@@H](NC(=O)[C@@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC000864145090 730825563 /nfs/dbraw/zinc/82/55/63/730825563.db2.gz FWRKOBLPCXOOOU-UONOGXRCSA-N -1 0 370.243 2.715 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cccc(NC(=O)NC(C)C)c1)C(=O)[O-] ZINC000864185472 730829194 /nfs/dbraw/zinc/82/91/94/730829194.db2.gz VYFFFPYVLSZPOC-ZDUSSCGKSA-N -1 0 353.806 2.542 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000864582302 730861604 /nfs/dbraw/zinc/86/16/04/730861604.db2.gz WRKFXTZJBINJHF-CABCVRRESA-N -1 0 368.817 2.962 20 30 FFEDRM N#CC(=C([O-])c1nscc1Br)c1nnc2n1CCCCC2 ZINC000651268615 731069718 /nfs/dbraw/zinc/06/97/18/731069718.db2.gz KIBXOUBMTPSUKE-MRVPVSSYSA-N -1 0 366.244 2.714 20 30 FFEDRM C#C[C@](C)(CC)[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000867321236 731170382 /nfs/dbraw/zinc/17/03/82/731170382.db2.gz KIUAEOKSONOQOD-CQSZACIVSA-N -1 0 364.801 2.657 20 30 FFEDRM C[S@](=O)(=NS(=O)(=O)[N-]CC1(C#N)CCCCC1)c1ccccc1F ZINC000867523388 731195463 /nfs/dbraw/zinc/19/54/63/731195463.db2.gz ZLSHQXVPHGJESF-HSZRJFAPSA-N -1 0 373.475 2.591 20 30 FFEDRM CC(C)OCCS(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867898150 731239794 /nfs/dbraw/zinc/23/97/94/731239794.db2.gz BEWSJISWTYYKDV-ZDUSSCGKSA-N -1 0 350.362 2.506 20 30 FFEDRM N#Cc1cccc([C@H]([N-]S(=O)(=O)CC2CCOCC2)C(F)(F)F)c1 ZINC000867899087 731239956 /nfs/dbraw/zinc/23/99/56/731239956.db2.gz SQHDYKPQMRLKJS-AWEZNQCLSA-N -1 0 362.373 2.508 20 30 FFEDRM COC(C)(C)CS(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000867899415 731240206 /nfs/dbraw/zinc/24/02/06/731240206.db2.gz ZZSHJYOJTFWAAM-LBPRGKRZSA-N -1 0 350.362 2.506 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(Cl)c2nc1C ZINC000870134508 731473035 /nfs/dbraw/zinc/47/30/35/731473035.db2.gz QMHIKRPPQHAZPY-AWEZNQCLSA-N -1 0 359.813 2.672 20 30 FFEDRM CC(C)(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1ccc(C#N)cc1 ZINC000870264465 731488425 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C=CCCNC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000656588156 731602020 /nfs/dbraw/zinc/60/20/20/731602020.db2.gz DIRJKKPNZPJSEH-CYBMUJFWSA-N -1 0 353.216 2.546 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](OC3CCC3)CC2)cc1C#N ZINC000871333793 731619908 /nfs/dbraw/zinc/61/99/08/731619908.db2.gz NRHOXHVXGMWLKJ-CQSZACIVSA-N -1 0 361.467 2.945 20 30 FFEDRM Cc1cccc(C#N)c1S(=O)(=O)N1CCCC[C@H]1C[C@H](C)C(=O)[O-] ZINC000871768853 731678523 /nfs/dbraw/zinc/67/85/23/731678523.db2.gz BDOGHJHINSSOFB-ZFWWWQNUSA-N -1 0 350.440 2.521 20 30 FFEDRM CC(C)(C#N)CS(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000777747418 738317830 /nfs/dbraw/zinc/31/78/30/738317830.db2.gz STYPELSQAVEVEF-UHFFFAOYSA-N -1 0 350.318 2.695 20 30 FFEDRM C[C@@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)C1 ZINC000871988524 731712650 /nfs/dbraw/zinc/71/26/50/731712650.db2.gz PSOLGTXWWIMBFD-ZDUSSCGKSA-N -1 0 363.222 2.616 20 30 FFEDRM Cc1ccc(C#N)cc1NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000878488717 732541107 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362.407 2.540 20 30 FFEDRM C=CCN(CC(=O)[O-])C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000762050257 736788210 /nfs/dbraw/zinc/78/82/10/736788210.db2.gz KBGCGXGXCWNPIF-UHFFFAOYSA-N -1 0 365.227 2.881 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2csc(NC)n2)C1=O ZINC000762164594 736799360 /nfs/dbraw/zinc/79/93/60/736799360.db2.gz FKNQAEGHHMDMFR-INIZCTEOSA-N -1 0 367.475 2.501 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2F)C1)C(=O)[O-] ZINC000908933942 736860638 /nfs/dbraw/zinc/86/06/38/736860638.db2.gz MMCNIDGLKWZDMG-JSGCOSHPSA-N -1 0 369.824 2.547 20 30 FFEDRM C=CCCC[C@@H](NC(=O)NCCc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC000909229980 736901096 /nfs/dbraw/zinc/90/10/96/736901096.db2.gz KHHMEEXKMVHBHA-GFCCVEGCSA-N -1 0 359.348 2.752 20 30 FFEDRM O=C([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000763370672 736932689 /nfs/dbraw/zinc/93/26/89/736932689.db2.gz TXUMRUPRMYIKIH-UHFFFAOYSA-N -1 0 352.253 2.735 20 30 FFEDRM C=C1CC(C)(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)[O-])C1 ZINC000909854750 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357.431 2.606 20 30 FFEDRM C#CC[C@H](NC(=O)[C@@H](CC)Cc1ccccc1Br)C(=O)[O-] ZINC001588398866 1080008913 /nfs/dbraw/zinc/00/89/13/1080008913.db2.gz NWHQLBBNTCZLGN-FZMZJTMJSA-N -1 0 352.228 2.611 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2ccc(OC)cc2)CCCCC1 ZINC001588408303 1080011422 /nfs/dbraw/zinc/01/14/22/1080011422.db2.gz GRVNJTBWGXRZKL-UHFFFAOYSA-N -1 0 358.438 2.627 20 30 FFEDRM C#CC[C@@H](NC(=O)CCSc1ccc(Br)cc1)C(=O)[O-] ZINC001588404633 1080011445 /nfs/dbraw/zinc/01/14/45/1080011445.db2.gz DGKRSOIDRSQVSE-GFCCVEGCSA-N -1 0 356.241 2.524 20 30 FFEDRM C#CC[C@H](NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1)C(=O)[O-] ZINC001588414632 1080017575 /nfs/dbraw/zinc/01/75/75/1080017575.db2.gz XGTCGLIBYDRRKQ-AWEZNQCLSA-N -1 0 367.829 2.980 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 ZINC001588413274 1080017601 /nfs/dbraw/zinc/01/76/01/1080017601.db2.gz XDFRYPDXQOMSLB-UHFFFAOYSA-N -1 0 369.377 2.743 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C ZINC001588418866 1080020123 /nfs/dbraw/zinc/02/01/23/1080020123.db2.gz VWBWMSMYJXTCBQ-UHFFFAOYSA-N -1 0 365.311 2.564 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC001588418398 1080021525 /nfs/dbraw/zinc/02/15/25/1080021525.db2.gz DRHMXNJNJQLIPH-UHFFFAOYSA-N -1 0 350.802 2.607 20 30 FFEDRM C#CCCN(CC(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001588447927 1080030821 /nfs/dbraw/zinc/03/08/21/1080030821.db2.gz TVXSDIZYQAGCLL-UHFFFAOYSA-N -1 0 369.748 2.615 20 30 FFEDRM C#CCCOc1ccc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588455165 1080032492 /nfs/dbraw/zinc/03/24/92/1080032492.db2.gz FSJBEQBTSFHNIQ-UHFFFAOYSA-N -1 0 367.401 2.824 20 30 FFEDRM C=CCC1(CNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CCCC1 ZINC001588457569 1080033902 /nfs/dbraw/zinc/03/39/02/1080033902.db2.gz FZSMNURPUREWCC-HVEKOLDVSA-N -1 0 350.459 2.835 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001588458832 1080034028 /nfs/dbraw/zinc/03/40/28/1080034028.db2.gz UVUBAQDXCHGQHP-KGLIPLIRSA-N -1 0 356.463 2.709 20 30 FFEDRM C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588464421 1080036576 /nfs/dbraw/zinc/03/65/76/1080036576.db2.gz QABJSHPMLBHADP-GNZRSQJKSA-N -1 0 358.438 2.797 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001588465402 1080036771 /nfs/dbraw/zinc/03/67/71/1080036771.db2.gz IDHBMGZCUHSQIB-CQSZACIVSA-N -1 0 359.426 2.711 20 30 FFEDRM C=CCOc1cccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC001588469431 1080039387 /nfs/dbraw/zinc/03/93/87/1080039387.db2.gz HHRBTNKJFGNDCB-GOSISDBHSA-N -1 0 365.389 2.909 20 30 FFEDRM C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588474113 1080040873 /nfs/dbraw/zinc/04/08/73/1080040873.db2.gz DDVJLQVKFBVUGV-IKGGRYGDSA-N -1 0 368.437 2.620 20 30 FFEDRM C#Cc1cccc(N(C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)c1 ZINC001588522263 1080074591 /nfs/dbraw/zinc/07/45/91/1080074591.db2.gz LXIIGPCASFPMAH-UHFFFAOYSA-N -1 0 352.346 2.821 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588537086 1080085229 /nfs/dbraw/zinc/08/52/29/1080085229.db2.gz YDWMLDXLJYTYPY-JYJNAYRXSA-N -1 0 362.474 2.684 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1OCCC)C(=O)[O-] ZINC001588547006 1080090439 /nfs/dbraw/zinc/09/04/39/1080090439.db2.gz GTWYHHXCTGUPDB-OAHLLOKOSA-N -1 0 357.410 2.810 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)C(=O)[O-] ZINC001588547862 1080090889 /nfs/dbraw/zinc/09/08/89/1080090889.db2.gz OLCZJYCAOROECO-SNVBAGLBSA-N -1 0 369.443 2.948 20 30 FFEDRM C=C(C)COCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001588569403 1080103299 /nfs/dbraw/zinc/10/32/99/1080103299.db2.gz AMKSFTYTUGZOHY-UHFFFAOYSA-N -1 0 360.454 2.942 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001588576860 1080105030 /nfs/dbraw/zinc/10/50/30/1080105030.db2.gz CYCXGMNXKZDZTN-QGZVFWFLSA-N -1 0 362.455 2.571 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)cc(C)n2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588576946 1080105382 /nfs/dbraw/zinc/10/53/82/1080105382.db2.gz IJRQMMBJHRUGEF-GOSISDBHSA-N -1 0 359.405 2.536 20 30 FFEDRM C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588578523 1080106071 /nfs/dbraw/zinc/10/60/71/1080106071.db2.gz KRDNLJPVMRHALR-AWEZNQCLSA-N -1 0 370.453 2.876 20 30 FFEDRM C=C(C)Cn1c([C@@H](CC)[C@@H](C)O)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588590004 1080113826 /nfs/dbraw/zinc/11/38/26/1080113826.db2.gz VXJWFBDHWISZDG-ZBFHGGJFSA-N -1 0 364.490 2.810 20 30 FFEDRM C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588589420 1080113876 /nfs/dbraw/zinc/11/38/76/1080113876.db2.gz MPOCYBXTRAFISY-SFHVURJKSA-N -1 0 359.430 2.817 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCCC[C@@H]2O)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588591145 1080114376 /nfs/dbraw/zinc/11/43/76/1080114376.db2.gz GKWPACVCKCRGSX-ULMVMLMRSA-N -1 0 374.485 2.564 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588591917 1080114553 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2.634 20 30 FFEDRM C=C(CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001588637162 1080130915 /nfs/dbraw/zinc/13/09/15/1080130915.db2.gz JDMRFAHWXANLOC-UHFFFAOYSA-N -1 0 353.346 2.655 20 30 FFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C)/C=C/C(=O)[O-])s1 ZINC001588643156 1080135961 /nfs/dbraw/zinc/13/59/61/1080135961.db2.gz ADJIQMKDYFFQNN-XNPJLODASA-N -1 0 360.888 2.984 20 30 FFEDRM C=C[C@@H](COC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588693206 1080158159 /nfs/dbraw/zinc/15/81/59/1080158159.db2.gz UCSMCIVTCYCRDR-VIFPVBQESA-N -1 0 357.204 2.778 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(C)CC(C)(C)C ZINC001588696390 1080159852 /nfs/dbraw/zinc/15/98/52/1080159852.db2.gz LXBJNKVANBMICV-UHFFFAOYSA-N -1 0 352.446 2.794 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001588697156 1080159909 /nfs/dbraw/zinc/15/99/09/1080159909.db2.gz SIBRFWFIRWRJDU-GFCCVEGCSA-N -1 0 367.461 2.512 20 30 FFEDRM C=CCn1c(-c2coc(-c3nn[nH]n3)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001588703365 1080161923 /nfs/dbraw/zinc/16/19/23/1080161923.db2.gz ANHFIHSPNZAEGU-CQSZACIVSA-N -1 0 366.429 2.673 20 30 FFEDRM C=C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)C(=O)[O-] ZINC001588715409 1080166983 /nfs/dbraw/zinc/16/69/83/1080166983.db2.gz XBFSDGQEPQEVFM-NSHDSACASA-N -1 0 359.432 2.570 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001588744514 1080179018 /nfs/dbraw/zinc/17/90/18/1080179018.db2.gz NUJHIONRHUWOOE-CYBMUJFWSA-N -1 0 351.449 2.912 20 30 FFEDRM C=CC[C@H](Sc1nnc(COc2ccc(C(C)C)cc2)n1N)C(=O)[O-] ZINC001588762223 1080183890 /nfs/dbraw/zinc/18/38/90/1080183890.db2.gz HCLHFJKUJJWNPS-AWEZNQCLSA-N -1 0 362.455 2.816 20 30 FFEDRM C=CCC1(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCOCC1 ZINC001588761992 1080184311 /nfs/dbraw/zinc/18/43/11/1080184311.db2.gz DSPNOLPEDDTSQM-CYBMUJFWSA-N -1 0 364.467 2.920 20 30 FFEDRM C=CC[C@]1(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC001588762043 1080184359 /nfs/dbraw/zinc/18/43/59/1080184359.db2.gz FXLXOIBYNKFQMG-BIENJYKASA-N 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C=CCCC[C@H](NC(=O)c1ccccc1CSc1nc[nH]n1)C(=O)[O-] ZINC001588793560 1080198939 /nfs/dbraw/zinc/19/89/39/1080198939.db2.gz SRZZVEBLTHUNMF-AWEZNQCLSA-N -1 0 360.439 2.636 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001588794090 1080199941 /nfs/dbraw/zinc/19/99/41/1080199941.db2.gz LBQIKGXZSAVIPL-ILXRZTDVSA-N -1 0 368.474 2.996 20 30 FFEDRM C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588800081 1080202022 /nfs/dbraw/zinc/20/20/22/1080202022.db2.gz ZVMGUFNPQYDIAS-HNNXBMFYSA-N -1 0 352.475 2.541 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC001588798787 1080202125 /nfs/dbraw/zinc/20/21/25/1080202125.db2.gz RBRMBNWOQXKRDZ-QMMMGPOBSA-N -1 0 357.375 2.855 20 30 FFEDRM C=CCN(CCc1ccccc1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588828805 1080209933 /nfs/dbraw/zinc/20/99/33/1080209933.db2.gz NNDFPKVIZHKNCU-SJORKVTESA-N -1 0 351.468 2.690 20 30 FFEDRM C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC001588849232 1080217141 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C=CCOc1ccc(Br)cc1NC(=O)NOCCCC(=O)[O-] ZINC001588869759 1080222667 /nfs/dbraw/zinc/22/26/67/1080222667.db2.gz YFNDIDYHUXWWBF-UHFFFAOYSA-N -1 0 373.203 2.932 20 30 FFEDRM C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001588873863 1080225327 /nfs/dbraw/zinc/22/53/27/1080225327.db2.gz NRJHNXPREHPWRJ-UHFFFAOYSA-N -1 0 368.389 2.513 20 30 FFEDRM C=CCc1ccc(OS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c(OC)c1 ZINC001588886763 1080234077 /nfs/dbraw/zinc/23/40/77/1080234077.db2.gz QNPFFJUKAKVRNH-UHFFFAOYSA-N -1 0 363.391 2.593 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnc2nccnc2c1 ZINC001588885384 1080234093 /nfs/dbraw/zinc/23/40/93/1080234093.db2.gz PYLXYBLWFYXWSW-UHFFFAOYSA-N -1 0 365.345 2.679 20 30 FFEDRM C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](CC(=O)[O-])C1 ZINC001588895431 1080243976 /nfs/dbraw/zinc/24/39/76/1080243976.db2.gz FVIVYYZXIHFITO-SJORKVTESA-N -1 0 370.453 2.686 20 30 FFEDRM C=CCn1c([C@H]2CCCC2(F)F)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588896426 1080245991 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366.389 2.990 20 30 FFEDRM Cc1cccc(CN(CCC(=O)[O-])S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000275175582 255964653 /nfs/dbraw/zinc/96/46/53/255964653.db2.gz XCIIRZJIWALREF-UHFFFAOYSA-N -1 0 372.446 2.673 20 30 FFEDRM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1 ZINC000290187967 257319512 /nfs/dbraw/zinc/31/95/12/257319512.db2.gz ROWHDWDJSSYMNZ-UHFFFAOYSA-N -1 0 372.410 2.838 20 30 FFEDRM CCOC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1C ZINC000005473640 506444085 /nfs/dbraw/zinc/44/40/85/506444085.db2.gz PKUNUHDOQSXJSH-GHMZBOCLSA-N -1 0 362.407 2.710 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000066249800 506459390 /nfs/dbraw/zinc/45/93/90/506459390.db2.gz PNNVXHNSLLFBIX-UHFFFAOYSA-N -1 0 373.415 2.740 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCO[C@H](c3ccccc3F)C2)cc1C#N ZINC000067180303 506785454 /nfs/dbraw/zinc/78/54/54/506785454.db2.gz MBOYAXOYUHCIGH-HNNXBMFYSA-N -1 0 373.409 2.734 20 30 FFEDRM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055632416 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C=CCOc1ccccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000111030100 508065801 /nfs/dbraw/zinc/06/58/01/508065801.db2.gz QTLSYEMNBVNWBJ-UHFFFAOYSA-N -1 0 374.462 2.943 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)cc1C#N ZINC000075164109 508087397 /nfs/dbraw/zinc/08/73/97/508087397.db2.gz JJJPCFXTKWJSLY-SNVBAGLBSA-N -1 0 361.398 2.717 20 30 FFEDRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccn(CCC#N)n2)n1 ZINC000084403901 508277258 /nfs/dbraw/zinc/27/72/58/508277258.db2.gz IAFLCLVMAGJKMW-UHFFFAOYSA-N -1 0 350.382 2.503 20 30 FFEDRM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000114054032 508292126 /nfs/dbraw/zinc/29/21/26/508292126.db2.gz SSNZJYDVFBEIIJ-UHFFFAOYSA-N -1 0 373.825 2.902 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000088547699 508375742 /nfs/dbraw/zinc/37/57/42/508375742.db2.gz JOFYANCQBSZWAC-UHFFFAOYSA-N -1 0 356.382 2.992 20 30 FFEDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(C#N)c3)cc12 ZINC000152646362 508485790 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CSc1[n-]c(=O)c(C(=O)N(CCc2nccs2)C(C)C)cc1C#N ZINC000123566633 508706951 /nfs/dbraw/zinc/70/69/51/508706951.db2.gz MMQGZISNKGZYDV-UHFFFAOYSA-N -1 0 362.480 2.518 20 30 FFEDRM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000158719265 508744397 /nfs/dbraw/zinc/74/43/97/508744397.db2.gz IRKYPAGXQUZLSJ-QMMMGPOBSA-N -1 0 355.366 2.523 20 30 FFEDRM CCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1CC(C)C ZINC000129639542 508749116 /nfs/dbraw/zinc/74/91/16/508749116.db2.gz RVCRJWSCXSDCBH-UHFFFAOYSA-N -1 0 359.455 2.636 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c1C#N ZINC000137629676 508761452 /nfs/dbraw/zinc/76/14/52/508761452.db2.gz BVBKKDSFUFJPHW-UHFFFAOYSA-N -1 0 361.398 2.508 20 30 FFEDRM CC(C)Oc1ccc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1C#N ZINC000119397899 508787908 /nfs/dbraw/zinc/78/79/08/508787908.db2.gz VGVZYTSSABDITE-UHFFFAOYSA-N -1 0 351.366 2.585 20 30 FFEDRM Cc1nc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000150814770 508900003 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374.462 2.737 20 30 FFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000028185382 977478496 /nfs/dbraw/zinc/47/84/96/977478496.db2.gz MBCUAEXCEQKCAZ-ACRNLXFHSA-N -1 0 355.394 2.793 20 30 FFEDRM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893962572 977610011 /nfs/dbraw/zinc/61/00/11/977610011.db2.gz NLKFWWGAZPPWGH-UHFFFAOYSA-N -1 0 360.364 2.730 20 30 FFEDRM C[C@@H](CCC#N)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1Cc1ccccc1 ZINC001592470006 978216112 /nfs/dbraw/zinc/21/61/12/978216112.db2.gz CADNGFPEOIMSEC-ZMSDIMECSA-N -1 0 367.453 2.891 20 30 FFEDRM CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000237110663 978283681 /nfs/dbraw/zinc/28/36/81/978283681.db2.gz AEMGKIFSHJYFSZ-UHFFFAOYSA-N -1 0 370.430 2.566 20 30 FFEDRM C[C@@](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)(C(=O)[O-])c1ccccc1 ZINC001592702050 979163500 /nfs/dbraw/zinc/16/35/00/979163500.db2.gz USSZRYHYCJFXKO-NRFANRHFSA-N -1 0 374.400 2.516 20 30 FFEDRM C#CCN1c2ccccc2[C@@]2(CCN(C(=O)c3ccccc3[S-])C2)C1=O ZINC001271859021 979164907 /nfs/dbraw/zinc/16/49/07/979164907.db2.gz WVXDRSAHTBSCGJ-NRFANRHFSA-N -1 0 362.454 2.739 20 30 FFEDRM C=C(C)CN1C(=O)C[C@]2(CCCN(C(=O)c3ccccc3[S-])C2)C1=O ZINC001271864640 979187562 /nfs/dbraw/zinc/18/75/62/979187562.db2.gz OBUDIJXENUAUBP-IBGZPJMESA-N -1 0 358.463 2.533 20 30 FFEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001592833162 979568745 /nfs/dbraw/zinc/56/87/45/979568745.db2.gz CHQZESBOSKXREK-AWEZNQCLSA-N -1 0 352.390 2.863 20 30 FFEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000127395177 979747069 /nfs/dbraw/zinc/74/70/69/979747069.db2.gz OKZAEBJGUWHVLC-HNNXBMFYSA-N -1 0 354.385 2.987 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccccc2C)cc1OC ZINC000128851314 980041849 /nfs/dbraw/zinc/04/18/49/980041849.db2.gz VJRTWZRUMACZJN-QGZVFWFLSA-N -1 0 366.417 2.694 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)cc2)cc1OC ZINC000128874920 980087893 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2.944 20 30 FFEDRM CCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCCC1 ZINC001595600921 981585009 /nfs/dbraw/zinc/58/50/09/981585009.db2.gz PWMOCUJYCYAAEQ-HNNXBMFYSA-N -1 0 350.440 2.894 20 30 FFEDRM CCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])C1CCCC1 ZINC001595600922 981585253 /nfs/dbraw/zinc/58/52/53/981585253.db2.gz PWMOCUJYCYAAEQ-OAHLLOKOSA-N -1 0 350.440 2.894 20 30 FFEDRM C#CC[C@H](NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)[O-] ZINC000910046357 981794309 /nfs/dbraw/zinc/79/43/09/981794309.db2.gz NEQWSYVPMPRADY-KRWDZBQOSA-N -1 0 351.406 2.872 20 30 FFEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1ccc(C)cc1C#N ZINC001594786693 981814700 /nfs/dbraw/zinc/81/47/00/981814700.db2.gz YTWXRIXVGOZAME-QGZVFWFLSA-N -1 0 350.440 2.521 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)C(=O)[O-] ZINC000910914942 982092352 /nfs/dbraw/zinc/09/23/52/982092352.db2.gz QCGZIHZHKHYAMW-QGZVFWFLSA-N -1 0 358.438 2.738 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC ZINC000910851866 982145009 /nfs/dbraw/zinc/14/50/09/982145009.db2.gz UBUWGAWBOBMANO-CSVMTYNTSA-N -1 0 359.422 2.842 20 30 FFEDRM CCN(C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1)[C@@H](C)C#N ZINC001596165657 983530519 /nfs/dbraw/zinc/53/05/19/983530519.db2.gz ZGZRNDHFKKVZHS-ZDUSSCGKSA-N -1 0 368.437 2.881 20 30 FFEDRM CCN(C[C@@H](C)C#N)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001596231955 983627880 /nfs/dbraw/zinc/62/78/80/983627880.db2.gz ZHLZYAGHORGPBL-ZETCQYMHSA-N -1 0 350.849 2.578 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588786168 984183147 /nfs/dbraw/zinc/18/31/47/984183147.db2.gz NEQZQXDXDJATTL-AUUYWEPGSA-N -1 0 368.474 2.949 20 30 FFEDRM C#C[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000761212751 984909270 /nfs/dbraw/zinc/90/92/70/984909270.db2.gz RQFPYVJCFGHUBW-AWEZNQCLSA-N -1 0 373.430 2.983 20 30 FFEDRM CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000761264432 985025394 /nfs/dbraw/zinc/02/53/94/985025394.db2.gz INTQDDAHEVHRAY-LBPRGKRZSA-N 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ZINC001599942482 985472575 /nfs/dbraw/zinc/47/25/75/985472575.db2.gz MBZXCWKJCMTWQV-CYBMUJFWSA-N -1 0 367.283 2.649 20 30 FFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)CC#Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599942945 985477704 /nfs/dbraw/zinc/47/77/04/985477704.db2.gz DWLUWMWKMPSUKP-AWEZNQCLSA-N -1 0 353.374 2.886 20 30 FFEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(CC#N)cc2)c(C)c1C(=O)[O-] ZINC001599949462 985583050 /nfs/dbraw/zinc/58/30/50/985583050.db2.gz ZVWUJPWGKOBQRU-LBPRGKRZSA-N -1 0 354.362 2.824 20 30 FFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000172715814 985651560 /nfs/dbraw/zinc/65/15/60/985651560.db2.gz YVRFSAHQYPEXKP-UHFFFAOYSA-N -1 0 363.392 2.889 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3cccc(F)c3)n2)c1 ZINC000063235007 985756827 /nfs/dbraw/zinc/75/68/27/985756827.db2.gz GVKDOGBBZYLYNU-UHFFFAOYSA-N -1 0 370.365 2.577 20 30 FFEDRM C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173970708 986028566 /nfs/dbraw/zinc/02/85/66/986028566.db2.gz 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FFEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000847690071 1056367386 /nfs/dbraw/zinc/36/73/86/1056367386.db2.gz HKTHFECSJVIBFF-CQSZACIVSA-N -1 0 360.364 2.690 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccc(C#N)cc2)cc(C)c1F ZINC000847691441 1056370523 /nfs/dbraw/zinc/37/05/23/1056370523.db2.gz RNVHXADRPGJTFU-CQSZACIVSA-N -1 0 374.437 2.998 20 30 FFEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001515157992 1059398576 /nfs/dbraw/zinc/39/85/76/1059398576.db2.gz HNCJNZOYIIWHTQ-HNNXBMFYSA-N -1 0 360.373 2.879 20 30 FFEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001355099221 1059890269 /nfs/dbraw/zinc/89/02/69/1059890269.db2.gz QANLOAURONXTSL-UHFFFAOYSA-N -1 0 359.798 2.589 20 30 FFEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3cncc(C#N)c3)n2)c1 ZINC001456016282 1059984332 /nfs/dbraw/zinc/98/43/32/1059984332.db2.gz AXHOMOCOJLYINP-UHFFFAOYSA-N -1 0 361.405 2.898 20 30 FFEDRM CCn1[n-]cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC(C)C)c1=O ZINC001517036527 1060315769 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C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001588771200 1080188417 /nfs/dbraw/zinc/18/84/17/1080188417.db2.gz QNMLNBXVZBQRSR-SMDDNHRTSA-N -1 0 368.411 2.706 20 30 FFEDRM C=CCCC(C)(C)CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001588777021 1080191010 /nfs/dbraw/zinc/19/10/10/1080191010.db2.gz RLLKKUFUIIUMJC-LJQANCHMSA-N -1 0 352.475 2.770 20 30 FFEDRM C=CCC[C@H]1NC(=O)N(c2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1=O ZINC001588782617 1080194829 /nfs/dbraw/zinc/19/48/29/1080194829.db2.gz WRAHVWNTFODODT-OAHLLOKOSA-N -1 0 357.410 2.766 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])[C@H](C)CC ZINC001588793843 1080198928 /nfs/dbraw/zinc/19/89/28/1080198928.db2.gz DAZFWHGEUADVAX-KGLIPLIRSA-N -1 0 356.463 2.948 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nnn(Cc2ccc(F)cc2)c1CC)C(=O)[O-] ZINC001588798006 1080200963 /nfs/dbraw/zinc/20/09/63/1080200963.db2.gz QXDHDZDAJVRXIA-HNNXBMFYSA-N -1 0 374.416 2.567 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC001588798757 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372.402 2.556 20 30 FFEDRM Cc1nn(C)c2sc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc12 ZINC000833016311 601346103 /nfs/dbraw/zinc/34/61/03/601346103.db2.gz WQSHRTSZRJGGER-CQSZACIVSA-N -1 0 355.375 2.798 20 30 FFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cn3cccn3)cc2)C(=O)[O-])c1 ZINC000833077549 601346476 /nfs/dbraw/zinc/34/64/76/601346476.db2.gz WASSNHJQDNXODD-SFHVURJKSA-N -1 0 361.357 2.786 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833077500 601347149 /nfs/dbraw/zinc/34/71/49/601347149.db2.gz UUJIFQNLFAZVKJ-GOSISDBHSA-N -1 0 364.357 2.668 20 30 FFEDRM CC(=O)c1ccc(OCCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825957004 601347347 /nfs/dbraw/zinc/34/73/47/601347347.db2.gz KOHJPBHJZMKOIR-IBGZPJMESA-N -1 0 367.357 2.899 20 30 FFEDRM CC(=O)Nc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000825884385 601349012 /nfs/dbraw/zinc/34/90/12/601349012.db2.gz LRHPHSADISPDCA-KRWDZBQOSA-N -1 0 352.346 2.808 20 30 FFEDRM C=CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825653149 601349034 /nfs/dbraw/zinc/34/90/34/601349034.db2.gz DJDFILWVGGEBFT-KRWDZBQOSA-N -1 0 350.330 2.665 20 30 FFEDRM CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1C ZINC000825884386 601349094 /nfs/dbraw/zinc/34/90/94/601349094.db2.gz LRHPHSADISPDCA-QGZVFWFLSA-N -1 0 352.346 2.808 20 30 FFEDRM C=CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825653151 601349102 /nfs/dbraw/zinc/34/91/02/601349102.db2.gz DJDFILWVGGEBFT-QGZVFWFLSA-N -1 0 350.330 2.665 20 30 FFEDRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)NC(=O)C1CCCCC1 ZINC000827392380 601351445 /nfs/dbraw/zinc/35/14/45/601351445.db2.gz YQJOMSGRRFRGIL-ACJLOTCBSA-N -1 0 372.421 2.702 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3c([nH]c2=O)CCCC3)C(=O)[O-])c1 ZINC000833077229 601353081 /nfs/dbraw/zinc/35/30/81/601353081.db2.gz NNNFEECPHVWILO-MRXNPFEDSA-N -1 0 352.346 2.520 20 30 FFEDRM N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000833074947 601421296 /nfs/dbraw/zinc/42/12/96/601421296.db2.gz HBJGDZGWLFKDRP-CABCVRRESA-N -1 0 355.438 2.534 20 30 FFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1noc(CCCC(=O)[O-])n1 ZINC000833065102 601429834 /nfs/dbraw/zinc/42/98/34/601429834.db2.gz RUPZIARWXRDGFV-CVEARBPZSA-N -1 0 354.410 2.749 20 30 FFEDRM COC(=O)c1ccc(/C=C2/CSC/C(=C/c3ccc(C(=O)[O-])[nH]3)C2=O)[nH]1 ZINC000831378654 601445280 /nfs/dbraw/zinc/44/52/80/601445280.db2.gz BHMQKGXNBCIWIF-SQXCDDPUSA-N -1 0 372.402 2.611 20 30 FFEDRM C#Cc1cccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000825636085 601484337 /nfs/dbraw/zinc/48/43/37/601484337.db2.gz BISXHSKLQNEJBP-INIZCTEOSA-N -1 0 370.792 2.592 20 30 FFEDRM N#Cc1cccc(-c2nnc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])o2)c1 ZINC000833073374 601543140 /nfs/dbraw/zinc/54/31/40/601543140.db2.gz ABBKPAUBLUQTCY-GOSISDBHSA-N -1 0 360.373 2.792 20 30 FFEDRM N#Cc1ccc([C@H](OC(=O)c2cc3cc(F)ccc3oc2=O)C(=O)[O-])cc1 ZINC000833070898 601591153 /nfs/dbraw/zinc/59/11/53/601591153.db2.gz BHHJXHXFZQKEHG-INIZCTEOSA-N -1 0 367.288 2.786 20 30 FFEDRM N#Cc1ccccc1COc1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000833074729 601635299 /nfs/dbraw/zinc/63/52/99/601635299.db2.gz AOHUTNCXRBMDNR-UHFFFAOYSA-N -1 0 350.374 2.826 20 30 FFEDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000831363245 601641408 /nfs/dbraw/zinc/64/14/08/601641408.db2.gz CCRUYMICZGXSKJ-UHFFFAOYSA-N -1 0 360.272 2.574 20 30 FFEDRM Cc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc(C)c1OCC(=O)[O-] ZINC000832863617 601674741 /nfs/dbraw/zinc/67/47/41/601674741.db2.gz KYYMRNMFMRRGAX-INIZCTEOSA-N -1 0 356.353 2.901 20 30 FFEDRM N#Cc1cccc([C@@H](OC(=O)c2c(F)ccc([N+](=O)[O-])c2F)C(=O)[O-])c1 ZINC000833077273 601681413 /nfs/dbraw/zinc/68/14/13/601681413.db2.gz OEYMWHLGKRRRBD-CQSZACIVSA-N -1 0 362.244 2.727 20 30 FFEDRM C[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1C(=O)[O-] ZINC000828404165 601692531 /nfs/dbraw/zinc/69/25/31/601692531.db2.gz ZDZDZDBJFBDEDS-KUHUBIRLSA-N -1 0 364.401 2.930 20 30 FFEDRM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C(=O)[O-] ZINC000828394746 601709590 /nfs/dbraw/zinc/70/95/90/601709590.db2.gz SFWUXOZKFLAPDE-SWLSCSKDSA-N -1 0 354.362 2.523 20 30 FFEDRM O=C([O-])c1cc(C=NNC(=S)Nc2cccc(Br)c2)c[nH]1 ZINC000814787006 601796562 /nfs/dbraw/zinc/79/65/62/601796562.db2.gz TYLBMGZOCQCZNN-UHFFFAOYSA-N -1 0 367.228 2.796 20 30 FFEDRM N#CCSc1ccccc1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000833069187 601845858 /nfs/dbraw/zinc/84/58/58/601845858.db2.gz OSZHQPSSYNCKKY-UHFFFAOYSA-N -1 0 361.467 2.818 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cc1OC ZINC000738506109 601906389 /nfs/dbraw/zinc/90/63/89/601906389.db2.gz YUSOBCJHABIAKG-XAVKZTDYSA-N -1 0 374.437 2.874 20 30 FFEDRM N#Cc1cc(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)ccc1F ZINC000833070490 601987325 /nfs/dbraw/zinc/98/73/25/601987325.db2.gz IZMCUWQZCYBAHO-UHFFFAOYSA-N -1 0 367.379 2.642 20 30 FFEDRM N#C[C@]1(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCSC1 ZINC000833063857 601992456 /nfs/dbraw/zinc/99/24/56/601992456.db2.gz BQGJXHRBFIDSPU-CYBMUJFWSA-N -1 0 359.329 2.924 20 30 FFEDRM N#CCOc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[O-])cc1 ZINC000740305334 602100714 /nfs/dbraw/zinc/10/07/14/602100714.db2.gz MDBVWUGSAXJZPM-PVAVHDDUSA-N -1 0 357.410 2.516 20 30 FFEDRM CCN(C[C@H](C)C#N)C(=O)CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829641889 602113696 /nfs/dbraw/zinc/11/36/96/602113696.db2.gz CMXMNIKQHNVYRZ-CQSZACIVSA-N -1 0 369.421 2.723 20 30 FFEDRM CCOc1ccc(C[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000830071293 602128247 /nfs/dbraw/zinc/12/82/47/602128247.db2.gz SLMXTIPIHUJJCZ-CQSZACIVSA-N -1 0 370.365 2.616 20 30 FFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCNC(=O)[O-])cc1C ZINC000738491379 602213576 /nfs/dbraw/zinc/21/35/76/602213576.db2.gz VBTAAMNBZXZKBD-UHFFFAOYSA-N -1 0 356.382 2.505 20 30 FFEDRM Cc1nnc(-c2cccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c2)o1 ZINC000833017450 602267522 /nfs/dbraw/zinc/26/75/22/602267522.db2.gz MKCNJMQFJBIHCD-MRXNPFEDSA-N -1 0 363.329 2.899 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739052119 602276088 /nfs/dbraw/zinc/27/60/88/602276088.db2.gz SLMCXFYCTFRYKT-ZDUSSCGKSA-N -1 0 369.377 2.611 20 30 FFEDRM COc1ccc(CNC(=O)Nc2ccc(F)cc2OCC#N)cc1C(=O)[O-] ZINC000832336270 602282380 /nfs/dbraw/zinc/28/23/80/602282380.db2.gz MRBVEGPLNJGOKV-UHFFFAOYSA-N -1 0 373.340 2.757 20 30 FFEDRM Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)ccc1C(=O)[O-] ZINC000832904360 602328184 /nfs/dbraw/zinc/32/81/84/602328184.db2.gz IRLUDSGBVGPFCJ-UHFFFAOYSA-N -1 0 351.767 2.986 20 30 FFEDRM CCNc1ccc(C#N)cc1NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000829808829 602388434 /nfs/dbraw/zinc/38/84/34/602388434.db2.gz IHDMMMQKSOKBMD-UHFFFAOYSA-N -1 0 368.393 2.709 20 30 FFEDRM CN(C[C@@H]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)C1)C(=O)[O-] ZINC000739660677 602430519 /nfs/dbraw/zinc/43/05/19/602430519.db2.gz OXVPFIZLALSYKU-JTQLQIEISA-N -1 0 352.847 2.840 20 30 FFEDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000738932491 602468075 /nfs/dbraw/zinc/46/80/75/602468075.db2.gz HMUFQZMIDUHGGZ-AWEZNQCLSA-N -1 0 367.405 2.865 20 30 FFEDRM N#Cc1cccc(OC2CCN(C(=O)C3(NC(=O)[O-])CCCC3)CC2)c1 ZINC000740324091 602511030 /nfs/dbraw/zinc/51/10/30/602511030.db2.gz WWDFEHJOSVJWKV-UHFFFAOYSA-N -1 0 357.410 2.508 20 30 FFEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000738279734 602534186 /nfs/dbraw/zinc/53/41/86/602534186.db2.gz IBWBDZLKRUUQKS-MRXNPFEDSA-N -1 0 372.469 2.704 20 30 FFEDRM CN(CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000737389374 602571663 /nfs/dbraw/zinc/57/16/63/602571663.db2.gz NNMKKIAMFMSNFX-QGZVFWFLSA-N -1 0 353.378 2.556 20 30 FFEDRM N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740323438 602582426 /nfs/dbraw/zinc/58/24/26/602582426.db2.gz PLKMZLRTTALLOB-HNNXBMFYSA-N -1 0 369.377 2.602 20 30 FFEDRM N#Cc1ccccc1OCc1ccc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000740323060 602680996 /nfs/dbraw/zinc/68/09/96/602680996.db2.gz HFZZNGUIZSLWMM-CYBMUJFWSA-N -1 0 356.334 2.639 20 30 FFEDRM N#C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000738423447 602727839 /nfs/dbraw/zinc/72/78/39/602727839.db2.gz RSPZDXYNRYZMHX-ZDUSSCGKSA-N -1 0 355.316 2.776 20 30 FFEDRM CC(C)(CCC(=O)N[C@@H](C#N)c1cccc(Br)c1)NC(=O)[O-] ZINC000738743334 602827927 /nfs/dbraw/zinc/82/79/27/602827927.db2.gz MKXGBEMBFZUHDJ-LBPRGKRZSA-N -1 0 368.231 2.956 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000739207694 602835708 /nfs/dbraw/zinc/83/57/08/602835708.db2.gz HQUJKKXFBVQHAX-FRFSOERESA-N -1 0 374.441 2.555 20 30 FFEDRM C[C@H](C(=O)N(CCC#N)Cc1ccccn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654953 602848462 /nfs/dbraw/zinc/84/84/62/602848462.db2.gz ODZHDIOMTXCLHN-MAUKXSAKSA-N -1 0 366.421 2.969 20 30 FFEDRM C[C@@H](C(=O)NCc1ccc(C#N)cc1F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823705770 602864777 /nfs/dbraw/zinc/86/47/77/602864777.db2.gz XVSHWHUDBAKZKQ-SJKOYZFVSA-N -1 0 355.369 2.959 20 30 FFEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000739979027 602891243 /nfs/dbraw/zinc/89/12/43/602891243.db2.gz QHUXWVDWEQKAAC-SJKOYZFVSA-N -1 0 353.378 2.753 20 30 FFEDRM N#C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000831070377 602899953 /nfs/dbraw/zinc/89/99/53/602899953.db2.gz JWFNYGUJWZVOCK-CHWSQXEVSA-N -1 0 355.316 2.919 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2Cl)C(N)=O)cc1 ZINC000740312684 602907317 /nfs/dbraw/zinc/90/73/17/602907317.db2.gz KHQVDRMCAUQREO-CQSZACIVSA-N -1 0 373.752 2.685 20 30 FFEDRM C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000739171906 602928264 /nfs/dbraw/zinc/92/82/64/602928264.db2.gz IBVPLQOHAOKGHC-ZDUSSCGKSA-N -1 0 369.377 2.555 20 30 FFEDRM C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H](C)N1C(=O)[O-] ZINC000739150976 602950556 /nfs/dbraw/zinc/95/05/56/602950556.db2.gz YWBWPSCDNOLEHZ-AOOOYVTPSA-N -1 0 368.340 2.764 20 30 FFEDRM N#Cc1ccc(CSCC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740316415 603028758 /nfs/dbraw/zinc/02/87/58/603028758.db2.gz WJWQSOLZAHBCPF-QGZVFWFLSA-N -1 0 369.446 2.917 20 30 FFEDRM 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ZINC001588540059 1080085882 /nfs/dbraw/zinc/08/58/82/1080085882.db2.gz OGXBZDIIODTXCV-OAHLLOKOSA-N -1 0 362.183 2.940 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1cnnn1-c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588548766 1080090735 /nfs/dbraw/zinc/09/07/35/1080090735.db2.gz TVIAEQWUHIALEI-JTQLQIEISA-N -1 0 369.208 2.723 20 30 FFEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588567787 1080102572 /nfs/dbraw/zinc/10/25/72/1080102572.db2.gz SHDAZFYJPQUCRB-DLBZAZTESA-N -1 0 363.458 2.781 20 30 FFEDRM C=C(C)Cn1c(-c2scnc2Cl)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588589229 1080112260 /nfs/dbraw/zinc/11/22/60/1080112260.db2.gz JLDWNJQLAPUJPW-UHFFFAOYSA-N -1 0 367.862 2.932 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001588612172 1080121855 /nfs/dbraw/zinc/12/18/55/1080121855.db2.gz KLPNCKFJYRHDER-ILXRZTDVSA-N -1 0 368.474 2.805 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001588614951 1080122886 /nfs/dbraw/zinc/12/28/86/1080122886.db2.gz FPHYRZPPCKQPKV-KUHUBIRLSA-N -1 0 366.458 2.703 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCOC[C@H]2C)c(Cl)c1 ZINC001588629402 1080128661 /nfs/dbraw/zinc/12/86/61/1080128661.db2.gz JYCIJULTIWFDJS-GFCCVEGCSA-N -1 0 352.818 2.925 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC001588633594 1080129441 /nfs/dbraw/zinc/12/94/41/1080129441.db2.gz PUVASQPSYXNSBM-UHFFFAOYSA-N -1 0 360.391 2.941 20 30 FFEDRM C=C(CNC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC001588636310 1080130831 /nfs/dbraw/zinc/13/08/31/1080130831.db2.gz AVNFZLZKEQSJRS-UHFFFAOYSA-N -1 0 366.417 2.817 20 30 FFEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588668602 1080148724 /nfs/dbraw/zinc/14/87/24/1080148724.db2.gz PBGZIBJEZABZSP-IBGZPJMESA-N -1 0 360.410 2.904 20 30 FFEDRM C=CCn1c(C2CC=CC2)nnc1N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588704289 1080162516 /nfs/dbraw/zinc/16/25/16/1080162516.db2.gz YHLMCZFCMIBKAS-UHFFFAOYSA-N -1 0 362.441 2.714 20 30 FFEDRM C=C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)[O-] ZINC001588715285 1080167402 /nfs/dbraw/zinc/16/74/02/1080167402.db2.gz UNUQSFAMAOFTBM-HNNXBMFYSA-N -1 0 358.467 2.654 20 30 FFEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588736334 1080176022 /nfs/dbraw/zinc/17/60/22/1080176022.db2.gz XNTYOAOAUTYSLG-VIFPVBQESA-N -1 0 369.215 2.557 20 30 FFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588745303 1080178370 /nfs/dbraw/zinc/17/83/70/1080178370.db2.gz XTXYJMCBQNCSNS-INIZCTEOSA-N -1 0 370.430 2.722 20 30 FFEDRM C=CC[C@H](OC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)C(=O)[O-] ZINC001588757008 1080181579 /nfs/dbraw/zinc/18/15/79/1080181579.db2.gz RYSJZWYBQOJCIO-HNNXBMFYSA-N -1 0 370.398 2.728 20 30 FFEDRM C=CCC1(NC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CCOCC1 ZINC001588767139 1080184913 /nfs/dbraw/zinc/18/49/13/1080184913.db2.gz LCFHXOWOQFUZEZ-LLVKDONJSA-N -1 0 365.455 2.579 20 30 FFEDRM C=CCC1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CCCC1 ZINC001588767081 1080185336 /nfs/dbraw/zinc/18/53/36/1080185336.db2.gz HXUYNDRFRNPAJA-UHFFFAOYSA-N -1 0 368.411 2.708 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001588771642 1080188400 /nfs/dbraw/zinc/18/84/00/1080188400.db2.gz XIFVBNBNPVJXKL-BXUZGUMPSA-N -1 0 368.411 2.706 20 30 FFEDRM CC(=Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[nH]1 ZINC001588770385 1080188504 /nfs/dbraw/zinc/18/85/04/1080188504.db2.gz LJVOQSPMIXZWGK-PKNBQFBNSA-N -1 0 359.393 2.786 20 30 FFEDRM C=CCCC(C)(C)CNC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001588776868 1080191081 /nfs/dbraw/zinc/19/10/81/1080191081.db2.gz LDQTVFPFYBSTJY-UHFFFAOYSA-N -1 0 352.475 2.770 20 30 FFEDRM C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588777801 1080191789 /nfs/dbraw/zinc/19/17/89/1080191789.db2.gz LBTSTFHVYJZNAB-GFCCVEGCSA-N -1 0 365.455 2.596 20 30 FFEDRM C=CCCC(C)(C)NC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588777802 1080192197 /nfs/dbraw/zinc/19/21/97/1080192197.db2.gz LBTSTFHVYJZNAB-LBPRGKRZSA-N -1 0 365.455 2.596 20 30 FFEDRM C=CCCC[C@H](NC(=O)CCSc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001588788457 1080196599 /nfs/dbraw/zinc/19/65/99/1080196599.db2.gz CRYKASMAKCSTDL-AWEZNQCLSA-N -1 0 365.451 2.866 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)C(=O)[O-] ZINC001588793088 1080198724 /nfs/dbraw/zinc/19/87/24/1080198724.db2.gz SDPNRGMWBPLJDQ-SNVBAGLBSA-N -1 0 370.331 2.596 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588794932 1080199865 /nfs/dbraw/zinc/19/98/65/1080199865.db2.gz WVZZYNKDSVXXMB-OAQYLSRUSA-N -1 0 366.417 2.874 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC001588793940 1080199956 /nfs/dbraw/zinc/19/99/56/1080199956.db2.gz GOCGRJOSSYQCEJ-BBWFWOEESA-N -1 0 374.437 2.617 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C(=O)[O-] ZINC001588798146 1080200526 /nfs/dbraw/zinc/20/05/26/1080200526.db2.gz VJPNVHTYLLOOOE-HNNXBMFYSA-N -1 0 354.410 2.684 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588798471 1080201880 /nfs/dbraw/zinc/20/18/80/1080201880.db2.gz GOCRJIVKLKFAPY-LBPRGKRZSA-N -1 0 351.346 2.793 20 30 FFEDRM C=CCN([C@H](C)COC)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588822767 1080208526 /nfs/dbraw/zinc/20/85/26/1080208526.db2.gz OOTBMEYICVCTEI-MRVPVSSYSA-N -1 0 367.876 2.620 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1CCC)C(=O)[O-] ZINC001588860128 1080220652 /nfs/dbraw/zinc/22/06/52/1080220652.db2.gz JWQGUSJNMKFGQR-QGZVFWFLSA-N -1 0 371.437 2.519 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001588859363 1080220665 /nfs/dbraw/zinc/22/06/65/1080220665.db2.gz JJZOQMHGEOPEGX-LLVKDONJSA-N -1 0 351.708 2.744 20 30 FFEDRM C=CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001588874513 1080225856 /nfs/dbraw/zinc/22/58/56/1080225856.db2.gz ADCIZQYZMJKBLP-UHFFFAOYSA-N -1 0 355.346 2.745 20 30 FFEDRM C=CCOc1ccc(CC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588874810 1080226624 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365.227 2.575 20 30 FFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001589331944 1080486142 /nfs/dbraw/zinc/48/61/42/1080486142.db2.gz UNAZSTASTOXETO-SJCJKPOMSA-N -1 0 363.439 2.694 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001589334488 1080486697 /nfs/dbraw/zinc/48/66/97/1080486697.db2.gz FIYWQGCZKMGSNC-JTQLQIEISA-N -1 0 355.306 2.836 20 30 FFEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001589426528 1080526345 /nfs/dbraw/zinc/52/63/45/1080526345.db2.gz LRUVYVUCKUOUEU-CQSZACIVSA-N -1 0 354.366 2.782 20 30 FFEDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1cn(CCCC#N)c2ccccc12 ZINC001589584204 1080619445 /nfs/dbraw/zinc/61/94/45/1080619445.db2.gz CRJOEYVYVPYYKJ-UHFFFAOYSA-N -1 0 356.378 2.782 20 30 FFEDRM CC(C)(C)C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC001589743662 1080697321 /nfs/dbraw/zinc/69/73/21/1080697321.db2.gz UFIGHDWWCHOKCT-ZFWWWQNUSA-N -1 0 361.417 2.529 20 30 FFEDRM 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370.430 2.588 20 30 FFEDRM COc1ccc(C2(CNC(=O)c3[n-]c(=O)c(C#N)cc3C)CCC2)cc1 ZINC001152057844 1032094468 /nfs/dbraw/zinc/09/44/68/1032094468.db2.gz LJIGZGUVDHYXID-UHFFFAOYSA-N -1 0 351.406 2.828 20 30 FFEDRM N#CCc1ccc(C(F)(F)F)cc1NC(=N)SCCS(=O)(=O)[O-] ZINC001168094398 979341944 /nfs/dbraw/zinc/34/19/44/979341944.db2.gz XTIFQRVFLJAGDT-UHFFFAOYSA-N -1 0 367.374 2.739 20 30 FFEDRM CC[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccccc1 ZINC001595172011 979739347 /nfs/dbraw/zinc/73/93/47/979739347.db2.gz UKVMCMCXSHTPFY-CQSZACIVSA-N -1 0 358.419 2.729 20 30 FFEDRM C[C@@H](Cn1ncc2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001592929183 979955456 /nfs/dbraw/zinc/95/54/56/979955456.db2.gz DXBTWYUQFQHJET-SCLBCKFNSA-N -1 0 363.373 2.913 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)C(=O)[O-] ZINC000262864547 980016253 /nfs/dbraw/zinc/01/62/53/980016253.db2.gz AYJMNRMHJOCOND-KRWDZBQOSA-N -1 0 371.437 2.690 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)cc2)cc1OC ZINC000128843825 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982033666 /nfs/dbraw/zinc/03/36/66/982033666.db2.gz SQMNKFDEUCINKB-WCVJEAGWSA-N -1 0 356.463 2.732 20 30 FFEDRM CC[C@](C)(NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)[O-] ZINC001594848052 982076686 /nfs/dbraw/zinc/07/66/86/982076686.db2.gz UAJSJQKETZGEID-IBGZPJMESA-N -1 0 352.394 2.548 20 30 FFEDRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)O1 ZINC000911151899 982157168 /nfs/dbraw/zinc/15/71/68/982157168.db2.gz JOOGSZHZOVMXOQ-RBUKOAKNSA-N -1 0 364.401 2.832 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)cc1OC ZINC000911157765 982158407 /nfs/dbraw/zinc/15/84/07/982158407.db2.gz VLUPBVBAAGKJNP-DYLGSBMWSA-N -1 0 373.327 2.795 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C(=O)[O-] ZINC000910915469 982162389 /nfs/dbraw/zinc/16/23/89/982162389.db2.gz MMBOPVDIVCZXID-CQSZACIVSA-N -1 0 356.426 2.693 20 30 FFEDRM C=CCCO[N-]C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC000912627506 984082064 /nfs/dbraw/zinc/08/20/64/984082064.db2.gz GJLGUVKMLMZKKL-UHFFFAOYSA-N -1 0 374.441 2.685 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588787072 984185665 /nfs/dbraw/zinc/18/56/65/984185665.db2.gz UECXXYGCDVQAML-UGSOOPFHSA-N -1 0 356.463 2.853 20 30 FFEDRM CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001596582791 984499319 /nfs/dbraw/zinc/49/93/19/984499319.db2.gz IEJAPMKKNPBFJM-QGZVFWFLSA-N -1 0 354.362 2.512 20 30 FFEDRM C#C[C@H](C)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000761210421 984905088 /nfs/dbraw/zinc/90/50/88/984905088.db2.gz FPYZBUJJLHPUNA-AWEZNQCLSA-N -1 0 373.430 2.983 20 30 FFEDRM C#Cc1cccc(NC(=S)NN=Cc2[nH]nc3cc(C(=O)[O-])ccc32)c1 ZINC000765570859 985200456 /nfs/dbraw/zinc/20/04/56/985200456.db2.gz CPUUFDZDQSHUIV-UHFFFAOYSA-N -1 0 363.402 2.563 20 30 FFEDRM C[C@H]1CN(c2nnc(CCCC#N)n2Cc2cccs2)CC[C@H]1C(=O)[O-] ZINC001599935329 985384181 /nfs/dbraw/zinc/38/41/81/985384181.db2.gz OYLPKLVTHODCIY-DZGCQCFKSA-N -1 0 373.482 2.781 20 30 FFEDRM O=C(/C=C/c1cnn2ccccc12)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000171736813 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ZINC001593069935 993614516 /nfs/dbraw/zinc/61/45/16/993614516.db2.gz MHVLAWHHGGYHSK-ZDUSSCGKSA-N -1 0 365.389 2.922 20 30 FFEDRM C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593082660 993673289 /nfs/dbraw/zinc/67/32/89/993673289.db2.gz JWLYGUNRVZZRRU-SNVBAGLBSA-N -1 0 356.407 2.762 20 30 FFEDRM C[C@](NC(=O)c1cccc(CNc2ncccc2C#N)c1)(C(=O)[O-])C1CC1 ZINC001593175557 994046495 /nfs/dbraw/zinc/04/64/95/994046495.db2.gz QMKYTXHRAPCDQE-HXUWFJFHSA-N -1 0 364.405 2.548 20 30 FFEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1 ZINC000809156983 994430148 /nfs/dbraw/zinc/43/01/48/994430148.db2.gz GRNHXFBWDIIECH-CLTKARDFSA-N -1 0 355.346 2.954 20 30 FFEDRM COc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001599651338 994505834 /nfs/dbraw/zinc/50/58/34/994505834.db2.gz UAGNZYXPEREUDB-RTBURBONSA-N -1 0 352.390 2.766 20 30 FFEDRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1cccc(C#N)c1 ZINC001593327401 994888304 /nfs/dbraw/zinc/88/83/04/994888304.db2.gz 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C=CCn1c(=O)c2ccc(C(=O)NN3[C@@H](C)CCC[C@@H]3C)cc2[n-]c1=S ZINC000825014044 997177322 /nfs/dbraw/zinc/17/73/22/997177322.db2.gz OSZUSKOLEDBJLU-STQMWFEESA-N -1 0 372.494 2.779 20 30 FFEDRM COc1cc(C=NN[C@H]2CCCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599401033 997214687 /nfs/dbraw/zinc/21/46/87/997214687.db2.gz UADSSXUOFBFSKP-AWEZNQCLSA-N -1 0 374.393 2.668 20 30 FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc(C#N)cc2OC)cc1 ZINC001599509326 997268620 /nfs/dbraw/zinc/26/86/20/997268620.db2.gz CGPZBRYQTJAOHC-MRXNPFEDSA-N -1 0 369.377 2.913 20 30 FFEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c(C)c1OC ZINC000805925952 997785178 /nfs/dbraw/zinc/78/51/78/997785178.db2.gz IVKPSIWHDJFSJU-QGZVFWFLSA-N -1 0 366.417 2.960 20 30 FFEDRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccccc1OCC#N ZINC001599543639 997886476 /nfs/dbraw/zinc/88/64/76/997886476.db2.gz CHOCCZJOZJMIHL-VQHVLOKHSA-N -1 0 353.330 2.915 20 30 FFEDRM COC(=O)c1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001598937060 997888522 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C=CCN(C(=O)[C@@H](C)C(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001588460406 1080035683 /nfs/dbraw/zinc/03/56/83/1080035683.db2.gz FADMRSPNPRYFHQ-SNVBAGLBSA-N -1 0 361.379 2.958 20 30 FFEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001588465797 1080037786 /nfs/dbraw/zinc/03/77/86/1080037786.db2.gz HXXIPVZIDFKVFC-UHFFFAOYSA-N -1 0 366.801 2.847 20 30 FFEDRM C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588471525 1080039890 /nfs/dbraw/zinc/03/98/90/1080039890.db2.gz ARFROYCGBUXEAL-AWEZNQCLSA-N -1 0 358.467 2.976 20 30 FFEDRM C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588472599 1080039994 /nfs/dbraw/zinc/03/99/94/1080039994.db2.gz PRRMFIDTYCWQNQ-UHFFFAOYSA-N -1 0 370.453 2.559 20 30 FFEDRM C#CCOc1cccc(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001588504149 1080060880 /nfs/dbraw/zinc/06/08/80/1080060880.db2.gz IWAJSRLJBJZBJN-OAHLLOKOSA-N -1 0 356.300 2.570 20 30 FFEDRM C#Cc1ccc(C(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)nc1 ZINC001588511469 1080064716 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C=CCC1(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCOCC1 ZINC001588557936 1080096710 /nfs/dbraw/zinc/09/67/10/1080096710.db2.gz WYYMHYRZBVNXAD-UHFFFAOYSA-N -1 0 359.434 2.923 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588578363 1080106351 /nfs/dbraw/zinc/10/63/51/1080106351.db2.gz DZPRGMWWEGVYIE-UHFFFAOYSA-N -1 0 365.437 2.888 20 30 FFEDRM C=C(C)Cn1c(-c2ccnn2C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588578357 1080106611 /nfs/dbraw/zinc/10/66/11/1080106611.db2.gz DWIFXWIJJZVJDN-CQSZACIVSA-N -1 0 372.473 2.582 20 30 FFEDRM C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001588582101 1080107327 /nfs/dbraw/zinc/10/73/27/1080107327.db2.gz GXBBVSCBVWDSAV-GJZGRUSLSA-N -1 0 369.473 2.515 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588590855 1080114462 /nfs/dbraw/zinc/11/44/62/1080114462.db2.gz CHWZSNABUKPHNE-RRFJBIMHSA-N -1 0 362.499 2.969 20 30 FFEDRM C=C(C)Cn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001588598900 1080119192 /nfs/dbraw/zinc/11/91/92/1080119192.db2.gz RSEWQRZFZLCCAY-AZUAARDMSA-N -1 0 369.469 2.881 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)CC)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588599221 1080119464 /nfs/dbraw/zinc/11/94/64/1080119464.db2.gz IXFZVYGEUVWLQK-INIZCTEOSA-N -1 0 356.426 2.559 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001588614443 1080122543 /nfs/dbraw/zinc/12/25/43/1080122543.db2.gz VEJNJSMDYWGLHT-OAHLLOKOSA-N -1 0 374.437 2.890 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001588614986 1080122785 /nfs/dbraw/zinc/12/27/85/1080122785.db2.gz GRGRGAOULCHYRT-BEFAXECRSA-N -1 0 373.497 2.870 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001588615497 1080122852 /nfs/dbraw/zinc/12/28/52/1080122852.db2.gz WLIBQUDFHYLMDF-UHFFFAOYSA-N -1 0 366.458 2.800 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001588623191 1080124983 /nfs/dbraw/zinc/12/49/83/1080124983.db2.gz 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C=CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001588681577 1080152321 /nfs/dbraw/zinc/15/23/21/1080152321.db2.gz ZGKDNYKGKYRUDI-UHFFFAOYSA-N -1 0 366.208 2.529 20 30 FFEDRM C=C[C@H](C)ONC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588687277 1080153788 /nfs/dbraw/zinc/15/37/88/1080153788.db2.gz MARYAKAEIIYZHR-LBPRGKRZSA-N -1 0 357.410 2.742 20 30 FFEDRM C=CCn1c(-c2ccc(-c3nn[nH]n3)cc2)nnc1N(CC)CCC1CC1 ZINC001588696695 1080159975 /nfs/dbraw/zinc/15/99/75/1080159975.db2.gz OUZPBQNSHHTOKV-UHFFFAOYSA-N -1 0 364.457 2.938 20 30 FFEDRM C=C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)[O-] ZINC001588715287 1080167762 /nfs/dbraw/zinc/16/77/62/1080167762.db2.gz UNUQSFAMAOFTBM-OAHLLOKOSA-N -1 0 358.467 2.654 20 30 FFEDRM C=CC[C@@H](C(=O)[O-])N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC001588731018 1080174777 /nfs/dbraw/zinc/17/47/77/1080174777.db2.gz BPDIOVBPPNWOAT-ZETCQYMHSA-N -1 0 368.153 2.509 20 30 FFEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001588743917 1080178906 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FFEDRM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000580142247 519022911 /nfs/dbraw/zinc/02/29/11/519022911.db2.gz OZIGRVZQUQXIEX-UHFFFAOYSA-N -1 0 352.213 2.825 20 30 FFEDRM C[C@@H](C#N)CNC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000580147972 519026785 /nfs/dbraw/zinc/02/67/85/519026785.db2.gz SSBZTXRPZILVGI-HNNXBMFYSA-N -1 0 360.417 2.911 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C#N)cc1N(C)C ZINC000589594296 519037442 /nfs/dbraw/zinc/03/74/42/519037442.db2.gz IBOGWFIRHIHESP-UHFFFAOYSA-N -1 0 354.435 2.800 20 30 FFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1Cl ZINC000589961996 519113343 /nfs/dbraw/zinc/11/33/43/519113343.db2.gz OTEOAZSOLKQLGM-UHFFFAOYSA-N -1 0 365.798 2.503 20 30 FFEDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-] ZINC000577694128 519205680 /nfs/dbraw/zinc/20/56/80/519205680.db2.gz ISGYQQPPUBGDOT-QMTHXVAHSA-N -1 0 358.847 2.769 20 30 FFEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn2c1OCCC2 ZINC000571734288 519243482 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N#Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=N)o3)C2)c(C(F)(F)F)c1 ZINC000602893594 519955150 /nfs/dbraw/zinc/95/51/50/519955150.db2.gz VQFKJSGIHLABGN-GFCCVEGCSA-N -1 0 351.332 2.752 20 30 FFEDRM COc1ccc(-c2n[n-]c(=NC(=O)N(C)[C@H]3CCC[C@@H]3C#N)s2)cc1 ZINC000602955842 519993012 /nfs/dbraw/zinc/99/30/12/519993012.db2.gz LRLYKWJCPQRXEG-OCCSQVGLSA-N -1 0 357.439 2.792 20 30 FFEDRM CC(C)(C)OC(=O)c1cncc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000594581785 520037271 /nfs/dbraw/zinc/03/72/71/520037271.db2.gz DGRMBLCNOPVFFA-UHFFFAOYSA-N -1 0 373.434 2.904 20 30 FFEDRM Cc1[nH]nc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c1[O-] ZINC000591805343 520041929 /nfs/dbraw/zinc/04/19/29/520041929.db2.gz FKGYCISDHPRRQA-SECBINFHSA-N -1 0 352.316 2.997 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H](C)CCC(=O)[O-] ZINC000594670861 520075995 /nfs/dbraw/zinc/07/59/95/520075995.db2.gz ACRRLBXQFIFFEQ-SNVBAGLBSA-N -1 0 366.464 2.861 20 30 FFEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000594671760 520076959 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FFEDRM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821107423 597613823 /nfs/dbraw/zinc/61/38/23/597613823.db2.gz SMQHRPDUCIDJKZ-ORAYPTAESA-N -1 0 360.410 2.993 20 30 FFEDRM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000820160252 597625185 /nfs/dbraw/zinc/62/51/85/597625185.db2.gz BEIDZIFFCZDRED-BLVKFPJESA-N -1 0 354.362 2.715 20 30 FFEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000820160254 597625214 /nfs/dbraw/zinc/62/52/14/597625214.db2.gz BEIDZIFFCZDRED-CWTRNNRKSA-N -1 0 354.362 2.715 20 30 FFEDRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNCCC(=O)[O-] ZINC000821216572 597740373 /nfs/dbraw/zinc/74/03/73/597740373.db2.gz HTDDFMKQLPFWGO-UHFFFAOYSA-N -1 0 355.225 2.945 20 30 FFEDRM N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C(=O)[O-])cn2)c1 ZINC000821340526 598206183 /nfs/dbraw/zinc/20/61/83/598206183.db2.gz KVDIZQATPILABN-HNNXBMFYSA-N -1 0 352.350 2.826 20 30 FFEDRM COc1ccc(Oc2cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn2)cc1 ZINC000820849358 598224529 /nfs/dbraw/zinc/22/45/29/598224529.db2.gz CBNUJCZMADUENW-LJQANCHMSA-N -1 0 369.377 2.503 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000819857165 598224762 /nfs/dbraw/zinc/22/47/62/598224762.db2.gz SWHZDNCTUPPSLY-IBGZPJMESA-N -1 0 352.394 2.829 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000819822019 598225638 /nfs/dbraw/zinc/22/56/38/598225638.db2.gz LGVNNLDQKITBFZ-CXAGYDPISA-N -1 0 352.337 2.786 20 30 FFEDRM CCN(CCC#N)C(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737094298 599771189 /nfs/dbraw/zinc/77/11/89/599771189.db2.gz OZEXKJVPCOWCMD-OAHLLOKOSA-N -1 0 372.252 2.813 20 30 FFEDRM N#CC(C(=O)CCNC(=O)[O-])c1nc(-c2c(F)cccc2F)cs1 ZINC000739072988 599800298 /nfs/dbraw/zinc/80/02/98/599800298.db2.gz AZCLGRWRUCQWEX-QMMMGPOBSA-N -1 0 351.334 2.922 20 30 FFEDRM Cc1ncccc1/C=C1/CN(CC(=O)[O-])C/C(=C/c2cccnc2C)C1=O ZINC000738887211 599926236 /nfs/dbraw/zinc/92/62/36/599926236.db2.gz LKQWXVACVFGVPZ-JZAWIKSFSA-N -1 0 363.417 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FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)[nH]c2C2CC2)cc1 ZINC000860448271 730513155 /nfs/dbraw/zinc/51/31/55/730513155.db2.gz LQRAZPQCHGUJCZ-UHFFFAOYSA-N -1 0 355.419 2.760 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])c2ccc(OCc3nc(C)no3)nc2)n1 ZINC000860450601 730513410 /nfs/dbraw/zinc/51/34/10/730513410.db2.gz VNTAURLXGQYWDU-LBPRGKRZSA-N -1 0 355.379 2.607 20 30 FFEDRM CSCCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000860515714 730519944 /nfs/dbraw/zinc/51/99/44/730519944.db2.gz YPEBOGCDXAXTPR-UHFFFAOYSA-N -1 0 354.497 2.818 20 30 FFEDRM CCc1oc2ccccc2c1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000860672255 730536019 /nfs/dbraw/zinc/53/60/19/730536019.db2.gz RIAWVOWDAWRVGL-UHFFFAOYSA-N -1 0 360.435 2.678 20 30 FFEDRM CCCCCCCNC(=O)c1cc(NC(C)=O)ccc1[N-]S(C)(=O)=O ZINC000862358925 730691351 /nfs/dbraw/zinc/69/13/51/730691351.db2.gz ASIMRQIWNGCBIN-UHFFFAOYSA-N -1 0 369.487 2.717 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000864183605 730828742 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C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000659189201 731949024 /nfs/dbraw/zinc/94/90/24/731949024.db2.gz HJTBZVBPFMZQHH-MFKMUULPSA-N -1 0 356.216 2.672 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N=[S@@](C)(=O)C(C)C)cc2[n-]c1=S ZINC000926072182 738564912 /nfs/dbraw/zinc/56/49/12/738564912.db2.gz SPMJTIDELSLOFH-DEOSSOPVSA-N -1 0 365.480 2.518 20 30 FFEDRM C[C@@H]1COCC[C@@H]1S(=O)(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000882504904 733236533 /nfs/dbraw/zinc/23/65/33/733236533.db2.gz FXMUXVVDOWBDMM-DDTOSNHZSA-N -1 0 362.373 2.506 20 30 FFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000782258400 738702953 /nfs/dbraw/zinc/70/29/53/738702953.db2.gz YBYOESZPUTXJAV-UHFFFAOYSA-N -1 0 356.325 2.913 20 30 FFEDRM C#CCC1(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CCCCC1 ZINC000886658954 733813434 /nfs/dbraw/zinc/81/34/34/733813434.db2.gz XHSYNJBDWHJNEF-UHFFFAOYSA-N -1 0 356.344 2.914 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ncsc2-c2ccccc2)CCC1 ZINC000783137547 738783806 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C=CCOC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(=O)[O-] ZINC000263096321 980402800 /nfs/dbraw/zinc/40/28/00/980402800.db2.gz TUBCXTZXOOOMEU-KRWDZBQOSA-N -1 0 356.422 2.788 20 30 FFEDRM COc1cc(OC)c2ncc(C#N)c(N3C[C@H](C(=O)[O-])C[C@H](C)C3)c2c1 ZINC000263252517 980621504 /nfs/dbraw/zinc/62/15/04/980621504.db2.gz SYHOMKBJHWSOHZ-NWDGAFQWSA-N -1 0 355.394 2.671 20 30 FFEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)CC(C)(C)CC#N ZINC001595362689 980773764 /nfs/dbraw/zinc/77/37/64/980773764.db2.gz NCWJUDUGYNJIHG-OAHLLOKOSA-N -1 0 352.456 2.794 20 30 FFEDRM C=CC[C@@H]1N(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)CCCC1(C)C ZINC000907773152 981289791 /nfs/dbraw/zinc/28/97/91/981289791.db2.gz AHLCMQSJLNDIIP-INIZCTEOSA-N -1 0 369.469 2.779 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1OC ZINC000907927238 981327093 /nfs/dbraw/zinc/32/70/93/981327093.db2.gz XSEAOYDCSSAAOR-NUJXTKSFSA-N -1 0 371.433 2.889 20 30 FFEDRM CCC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl 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ZINC001588469436 1080039379 /nfs/dbraw/zinc/03/93/79/1080039379.db2.gz HLNYBUPJNGYJNW-QHCPKHFHSA-N -1 0 353.465 2.824 20 30 FFEDRM C=CC(C)(C)CNS(=O)(=O)c1c2ccccc2sc1-c1nnn[n-]1 ZINC001588488930 1080051495 /nfs/dbraw/zinc/05/14/95/1080051495.db2.gz QZUGIRWFOJQADR-UHFFFAOYSA-N -1 0 363.468 2.572 20 30 FFEDRM C#CCOc1ccccc1NC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001588504503 1080060920 /nfs/dbraw/zinc/06/09/20/1080060920.db2.gz BTYWPTSOFASKJF-LJQANCHMSA-N -1 0 353.378 2.605 20 30 FFEDRM C#CCn1ccc(CN(CC)C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC001588509429 1080062947 /nfs/dbraw/zinc/06/29/47/1080062947.db2.gz DIQZCEDEKBTSJO-UHFFFAOYSA-N -1 0 354.410 2.588 20 30 FFEDRM C=C[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C)C(C)(C)C ZINC001588525358 1080078252 /nfs/dbraw/zinc/07/82/52/1080078252.db2.gz GOOWXUZKHAEHJQ-ZDUSSCGKSA-N -1 0 359.430 2.661 20 30 FFEDRM C=C(Br)CNC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588528995 1080079198 /nfs/dbraw/zinc/07/91/98/1080079198.db2.gz LYDFMEHTOFAJHG-SECBINFHSA-N -1 0 374.260 2.905 20 30 FFEDRM C=C(C)[C@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccc(F)c(F)c1 ZINC001588533846 1080083359 /nfs/dbraw/zinc/08/33/59/1080083359.db2.gz ASYSOMRNZAXCNW-WBVHZDCISA-N -1 0 352.381 2.637 20 30 FFEDRM C=C(C)C[C@H](C)C(=O)OCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001588534921 1080085012 /nfs/dbraw/zinc/08/50/12/1080085012.db2.gz CZXAKKHDTDQWOX-SUMWQHHRSA-N -1 0 372.421 2.867 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC001588540987 1080087931 /nfs/dbraw/zinc/08/79/31/1080087931.db2.gz PYJOVYBFNWMJIU-INIZCTEOSA-N -1 0 373.405 2.578 20 30 FFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001588541499 1080087951 /nfs/dbraw/zinc/08/79/51/1080087951.db2.gz CTZHJNYSAXIUGK-SFHVURJKSA-N -1 0 350.334 2.689 20 30 FFEDRM C=C(C)C[C@H](NC(=O)CSc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001588542803 1080089342 /nfs/dbraw/zinc/08/93/42/1080089342.db2.gz RMLWBUXVXCTBJD-NSHDSACASA-N -1 0 365.480 2.936 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001588547516 1080089975 /nfs/dbraw/zinc/08/99/75/1080089975.db2.gz DIBBQAUMABKKEP-LBPRGKRZSA-N -1 0 361.379 2.868 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)n(C)n2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588577168 1080104934 /nfs/dbraw/zinc/10/49/34/1080104934.db2.gz OEOZAMBGNDUQIZ-UHFFFAOYSA-N -1 0 372.473 2.644 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[C@@](OC)(C(=O)[O-])C1 ZINC001588576859 1080104957 /nfs/dbraw/zinc/10/49/57/1080104957.db2.gz CYCXGMNXKZDZTN-KRWDZBQOSA-N -1 0 362.455 2.571 20 30 FFEDRM C=C(C)Cn1c([C@H](CC)CO)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588590118 1080113373 /nfs/dbraw/zinc/11/33/73/1080113373.db2.gz ZGEXAKYTBIQXMQ-CYBMUJFWSA-N -1 0 362.430 2.576 20 30 FFEDRM C=C(C)Cn1c([C@@H](O)CCCCC)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588590950 1080114319 /nfs/dbraw/zinc/11/43/19/1080114319.db2.gz CYTKQUZTOUOXEF-KBXCAEBGSA-N -1 0 350.463 2.769 20 30 FFEDRM C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588591275 1080114438 /nfs/dbraw/zinc/11/44/38/1080114438.db2.gz HLTKYBYRNKCCTD-DOTOQJQBSA-N -1 0 368.437 2.831 20 30 FFEDRM C=C(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588591650 1080114537 /nfs/dbraw/zinc/11/45/37/1080114537.db2.gz LDAZYFBWQAHSLH-NVXWUHKLSA-N -1 0 363.421 2.742 20 30 FFEDRM C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588591278 1080114586 /nfs/dbraw/zinc/11/45/86/1080114586.db2.gz HLTKYBYRNKCCTD-RDJZCZTQSA-N -1 0 368.437 2.831 20 30 FFEDRM C=C(C)Cn1c([C@H]2CC=NO2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588591449 1080114800 /nfs/dbraw/zinc/11/48/00/1080114800.db2.gz JJMRUZJZQILQJA-UONOGXRCSA-N -1 0 361.446 2.629 20 30 FFEDRM C=C(C)Cn1c([C@H](O)CC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588592283 1080115559 /nfs/dbraw/zinc/11/55/59/1080115559.db2.gz VPAYBGPIRNYEJF-MRXNPFEDSA-N -1 0 356.426 2.559 20 30 FFEDRM C=C(C)Cn1c(Cc2cccc(C#N)c2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588598614 1080119615 /nfs/dbraw/zinc/11/96/15/1080119615.db2.gz IYJJUMWWEMWIPA-QGZVFWFLSA-N -1 0 365.437 2.536 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001588614347 1080122683 /nfs/dbraw/zinc/12/26/83/1080122683.db2.gz RCOHZVRBMIDFOM-IBGZPJMESA-N -1 0 366.458 2.800 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC001588618927 1080124223 /nfs/dbraw/zinc/12/42/23/1080124223.db2.gz FNIVQAQEAWYPCX-OAHLLOKOSA-N -1 0 362.451 2.564 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001588619632 1080124227 /nfs/dbraw/zinc/12/42/27/1080124227.db2.gz ZXOGTBLIBLWSOC-GOSISDBHSA-N -1 0 356.463 2.853 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001588623811 1080126265 /nfs/dbraw/zinc/12/62/65/1080126265.db2.gz YDXANNZVWUQUDM-HNNXBMFYSA-N -1 0 368.836 2.981 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001588629476 1080128618 /nfs/dbraw/zinc/12/86/18/1080128618.db2.gz BXRXKMCJVRZQSW-QDMKHBRRSA-N -1 0 366.458 2.702 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001588633043 1080129490 /nfs/dbraw/zinc/12/94/90/1080129490.db2.gz GTKDIWOTDFGYOQ-UHFFFAOYSA-N -1 0 356.172 2.595 20 30 FFEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001588651654 1080141909 /nfs/dbraw/zinc/14/19/09/1080141909.db2.gz MRISQGZCHJAWCA-ZDUSSCGKSA-N -1 0 369.462 2.533 20 30 FFEDRM C=CC(C)(C)CC(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001588673124 1080149664 /nfs/dbraw/zinc/14/96/64/1080149664.db2.gz KLEMRVYHECBEDR-ZDUSSCGKSA-N -1 0 354.447 2.511 20 30 FFEDRM C=CC(C)(C)CC(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)[O-] ZINC001588672935 1080149720 /nfs/dbraw/zinc/14/97/20/1080149720.db2.gz FFBVFHOHSVZVSL-ZDUSSCGKSA-N -1 0 370.243 3.000 20 30 FFEDRM C=CC(C)(C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001588680612 1080152043 /nfs/dbraw/zinc/15/20/43/1080152043.db2.gz AHFXSUBMCHDJCS-UHFFFAOYSA-N -1 0 351.346 2.894 20 30 FFEDRM C=C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)C(=O)[O-] ZINC001588715406 1080167709 /nfs/dbraw/zinc/16/77/09/1080167709.db2.gz XBFSDGQEPQEVFM-LLVKDONJSA-N -1 0 359.432 2.570 20 30 FFEDRM C=CC1(CC(=O)NCc2ccc(C(=O)[O-])cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001588718651 1080169459 /nfs/dbraw/zinc/16/94/59/1080169459.db2.gz FHZGICGSIHWOAK-UHFFFAOYSA-N -1 0 374.437 2.814 20 30 FFEDRM C=CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccncc1 ZINC001588743062 1080178782 /nfs/dbraw/zinc/17/87/82/1080178782.db2.gz QQMTUEZFYYODNM-INIZCTEOSA-N -1 0 355.394 2.905 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588771299 1080188167 /nfs/dbraw/zinc/18/81/67/1080188167.db2.gz ROYCZRCPVOEWKB-IINYFYTJSA-N -1 0 366.364 2.853 20 30 FFEDRM C=CCC[C@@H](CO)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588777696 1080191623 /nfs/dbraw/zinc/19/16/23/1080191623.db2.gz GDIHSJCVSOGVGW-NSHDSACASA-N -1 0 371.231 2.904 20 30 FFEDRM C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001588779083 1080192145 /nfs/dbraw/zinc/19/21/45/1080192145.db2.gz SGPLMVAXPQHHOG-PVAVHDDUSA-N -1 0 358.438 2.570 20 30 FFEDRM C=CCCC[C@@H](NC(=O)CCc1ccc2c(c1)OC(F)(F)O2)C(=O)[O-] ZINC001588788791 1080196685 /nfs/dbraw/zinc/19/66/85/1080196685.db2.gz NYHOGQLNBVEDTA-GFCCVEGCSA-N -1 0 355.337 2.866 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588793841 1080198788 /nfs/dbraw/zinc/19/87/88/1080198788.db2.gz CYNHTOGSRZPVSX-ZIAGYGMSSA-N -1 0 356.463 2.852 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001588792950 1080198882 /nfs/dbraw/zinc/19/88/82/1080198882.db2.gz ICORNCKHMHOVNO-ZDUSSCGKSA-N -1 0 363.414 2.968 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1)C(=O)[O-] ZINC001588794222 1080199900 /nfs/dbraw/zinc/19/99/00/1080199900.db2.gz OOEIOGOUOQZMHO-GFCCVEGCSA-N -1 0 367.471 2.596 20 30 FFEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC001588807265 1080203851 /nfs/dbraw/zinc/20/38/51/1080203851.db2.gz GAFJOERKUXDXOZ-UHFFFAOYSA-N 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ZINC001588829327 1080210540 /nfs/dbraw/zinc/21/05/40/1080210540.db2.gz SXCHLAUEMBUNCQ-IBGZPJMESA-N -1 0 370.449 2.886 20 30 FFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC001588832551 1080212200 /nfs/dbraw/zinc/21/22/00/1080212200.db2.gz RQSVRGDBCKNVEG-UHFFFAOYSA-N -1 0 370.427 2.811 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001588844416 1080215521 /nfs/dbraw/zinc/21/55/21/1080215521.db2.gz YCWNUTSGIFEADR-UHFFFAOYSA-N -1 0 367.405 2.551 20 30 FFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)C(=O)[O-] ZINC001588850857 1080216879 /nfs/dbraw/zinc/21/68/79/1080216879.db2.gz HZXBKOFLWMRPAG-CMPLNLGQSA-N -1 0 366.464 2.549 20 30 FFEDRM C=CCOC[C@H](NC(=O)CSCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588856812 1080219422 /nfs/dbraw/zinc/21/94/22/1080219422.db2.gz QKOSNKFTEPGGQQ-INIZCTEOSA-N -1 0 365.495 2.989 20 30 FFEDRM C=CCOc1ccc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1OC ZINC001588869596 1080222558 /nfs/dbraw/zinc/22/25/58/1080222558.db2.gz OLUZJVNUTVQHGJ-UHFFFAOYSA-N 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C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C(=O)[O-] ZINC000828394743 601709481 /nfs/dbraw/zinc/70/94/81/601709481.db2.gz SFWUXOZKFLAPDE-IUODEOHRSA-N -1 0 354.362 2.523 20 30 FFEDRM O=C([O-])C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC000833216550 601732080 /nfs/dbraw/zinc/73/20/80/601732080.db2.gz ARQZWXNKNLMTSS-SFHVURJKSA-N -1 0 364.401 2.794 20 30 FFEDRM CN(C(=O)Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830496073 602003325 /nfs/dbraw/zinc/00/33/25/602003325.db2.gz VVBKNGCGRVFXHO-QGZVFWFLSA-N -1 0 362.307 2.802 20 30 FFEDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000739003177 602011446 /nfs/dbraw/zinc/01/14/46/602011446.db2.gz LQRRIZMKVWEJEM-CJNGLKHVSA-N -1 0 361.467 2.829 20 30 FFEDRM N#Cc1ccc([C@@H](OC(=O)COC/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000833072768 602106956 /nfs/dbraw/zinc/10/69/56/602106956.db2.gz PZNSRAVQKRDGNM-ZLHKHBAESA-N -1 0 351.358 2.957 20 30 FFEDRM C=CCn1c(-c2ccccn2)nn(CN2CCC(CC(=O)[O-])CC2)c1=S ZINC000825705629 602188556 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CC(C)=CCOc1cccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1 ZINC000842327967 747572115 /nfs/dbraw/zinc/57/21/15/747572115.db2.gz BPBQUOLJVZDTQI-UHFFFAOYSA-N -1 0 364.467 2.570 20 30 FFEDRM C=CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC000842413106 747594855 /nfs/dbraw/zinc/59/48/55/747594855.db2.gz RRQOTUHVCJLNIT-UHFFFAOYSA-N -1 0 364.236 2.746 20 30 FFEDRM Cc1ccc(C2(C(=O)[N-]S(=O)(=O)CC3(C#N)CCCC3)CCC2)cc1 ZINC000842755992 747679323 /nfs/dbraw/zinc/67/93/23/747679323.db2.gz BCLKWRFFLZZZQQ-UHFFFAOYSA-N -1 0 360.479 2.947 20 30 FFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CCC1 ZINC000842919976 747721414 /nfs/dbraw/zinc/72/14/14/747721414.db2.gz FVNUAIKYUUTRFF-UHFFFAOYSA-N -1 0 371.842 2.678 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)cc2[n-]c1=S ZINC000844104923 747971089 /nfs/dbraw/zinc/97/10/89/747971089.db2.gz FKYBRFJRZILGPJ-FPMFFAJLSA-N -1 0 355.463 2.790 20 30 FFEDRM O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)c1cc(=O)[nH][n-]1 ZINC000844147739 747979193 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C=C[C@@H](C)O[N-]C(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000846547223 748500469 /nfs/dbraw/zinc/50/04/69/748500469.db2.gz IQKBLEUSZHBUNJ-ABAIWWIYSA-N -1 0 359.253 2.989 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)NC3CC4(CCC4)C3)cc2[n-]c1=S ZINC000846609471 748511447 /nfs/dbraw/zinc/51/14/47/748511447.db2.gz KUUOBPXMOJWTSM-UHFFFAOYSA-N -1 0 355.463 2.934 20 30 FFEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CCC1 ZINC000847854564 748796127 /nfs/dbraw/zinc/79/61/27/748796127.db2.gz ARAKTQRJYFKTBZ-UHFFFAOYSA-N -1 0 370.858 2.850 20 30 FFEDRM C[C@H](CC1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1)C(=O)[O-] ZINC000848683135 748983344 /nfs/dbraw/zinc/98/33/44/748983344.db2.gz PZAWDNVOVDDHNH-LLVKDONJSA-N -1 0 370.858 2.723 20 30 FFEDRM C[C@@H](CC1CCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1)C(=O)[O-] ZINC000848683136 748983466 /nfs/dbraw/zinc/98/34/66/748983466.db2.gz PZAWDNVOVDDHNH-NSHDSACASA-N -1 0 370.858 2.723 20 30 FFEDRM CCCCCc1cc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)n[nH]1 ZINC000850009265 749282553 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FFEDRM CC[C@H](NN=Cc1cc(Cl)ccc1I)C(=O)[O-] ZINC000853348505 750051271 /nfs/dbraw/zinc/05/12/71/750051271.db2.gz JMAWRXIMPCRBLC-JTQLQIEISA-N -1 0 366.586 2.731 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cn3cccn3)cc2)cc1 ZINC000042235367 845083559 /nfs/dbraw/zinc/08/35/59/845083559.db2.gz NKPNBEPJYCJMJN-UHFFFAOYSA-N -1 0 355.419 2.933 20 30 FFEDRM O=C([N-]S(=O)(=O)c1ccccc1F)c1ccn(-c2ccc(F)cc2)n1 ZINC000048592968 845164672 /nfs/dbraw/zinc/16/46/72/845164672.db2.gz KDUKIQKUWYSKDB-UHFFFAOYSA-N -1 0 363.345 2.844 20 30 FFEDRM CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000048613436 845168728 /nfs/dbraw/zinc/16/87/28/845168728.db2.gz AZDLHRUYWJRNSM-UHFFFAOYSA-N -1 0 352.456 2.858 20 30 FFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)sc2cccc(F)c12 ZINC000048647844 845172717 /nfs/dbraw/zinc/17/27/17/845172717.db2.gz YHLSJNALGMDMFE-UHFFFAOYSA-N -1 0 353.400 2.776 20 30 FFEDRM Cc1cc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cnn(C)c2)ccc1C(C)C ZINC000048676397 845174517 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FFEDRM O=C(COCCc1ccccc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000060766246 845429620 /nfs/dbraw/zinc/42/96/20/845429620.db2.gz NMMKHLIUJIHJNN-UHFFFAOYSA-N -1 0 351.399 2.871 20 30 FFEDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000063234043 845459769 /nfs/dbraw/zinc/45/97/69/845459769.db2.gz ZGQOXXCTBCEDJB-UHFFFAOYSA-N -1 0 350.352 2.605 20 30 FFEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000323852415 971047296 /nfs/dbraw/zinc/04/72/96/971047296.db2.gz CPXJRHDUNJEMBZ-UHFFFAOYSA-N -1 0 361.847 2.927 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC001602683549 971273755 /nfs/dbraw/zinc/27/37/55/971273755.db2.gz FEMPPYWOHXONST-SFHVURJKSA-N -1 0 352.390 2.536 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC001602683710 971275410 /nfs/dbraw/zinc/27/54/10/971275410.db2.gz IUKHINGPBOYSEY-GFCCVEGCSA-N -1 0 357.435 2.909 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC001602684243 971279025 /nfs/dbraw/zinc/27/90/25/971279025.db2.gz RTWOTOKLUXTATM-KRWDZBQOSA-N -1 0 371.824 2.748 20 30 FFEDRM CCc1ccc(-c2nc(Cn3cnc(-c4nnn[n-]4)c3C#N)cs2)cc1 ZINC000825700710 947292043 /nfs/dbraw/zinc/29/20/43/947292043.db2.gz QCEJNBCFTLLEAU-UHFFFAOYSA-N -1 0 362.422 2.669 20 30 FFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001602852307 971689062 /nfs/dbraw/zinc/68/90/62/971689062.db2.gz KMWZWNZEUYPZTK-VXGBXAGGSA-N -1 0 353.216 2.877 20 30 FFEDRM Cc1ccccc1-n1nc(C([O-])=C(C#N)C(=O)N2CCCC2)c2c1CCC2 ZINC000123674627 971739168 /nfs/dbraw/zinc/73/91/68/971739168.db2.gz FQHNIFDHYDESKD-INIZCTEOSA-N -1 0 362.433 2.614 20 30 FFEDRM CC(C)C[C@H](CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)CC(=O)[O-] ZINC001603042863 972109039 /nfs/dbraw/zinc/10/90/39/972109039.db2.gz XRWLSTLPELXNEY-WMZOPIPTSA-N -1 0 373.453 2.778 20 30 FFEDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ncc(C#N)c4ccsc43)C2)cn1 ZINC001594537390 955587445 /nfs/dbraw/zinc/58/74/45/955587445.db2.gz IEXJDISMAOZIHH-VXGBXAGGSA-N -1 0 367.434 2.596 20 30 FFEDRM CC(C)C[C@H](CNS(=O)(=O)c1cccc(C#N)c1Cl)CC(=O)[O-] ZINC001603048382 972113635 /nfs/dbraw/zinc/11/36/35/972113635.db2.gz QUYYWSRNVWZJQK-NSHDSACASA-N -1 0 358.847 2.627 20 30 FFEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCC(=O)[O-])c2)c1 ZINC001593885759 955745124 /nfs/dbraw/zinc/74/51/24/955745124.db2.gz OGLMDOQIBIGQAU-UHFFFAOYSA-N -1 0 351.358 2.676 20 30 FFEDRM Cn1nc(C(=O)[O-])cc1C(=O)N(Cc1ccccc1)c1ccccc1C#N ZINC001594564195 955823166 /nfs/dbraw/zinc/82/31/66/955823166.db2.gz OKXONSRUXQRBKZ-UHFFFAOYSA-N -1 0 360.373 2.837 20 30 FFEDRM N#CCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594610452 956203553 /nfs/dbraw/zinc/20/35/53/956203553.db2.gz UAZBGWUQRMIOKI-MSOLQXFVSA-N -1 0 370.430 2.734 20 30 FFEDRM N#Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cnc1C(F)(F)F ZINC001594614174 956229863 /nfs/dbraw/zinc/22/98/63/956229863.db2.gz LIKHLVJAKFMPPY-GFCCVEGCSA-N -1 0 355.316 2.832 20 30 FFEDRM N#Cc1cc(F)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(F)c1 ZINC001594616111 956238362 /nfs/dbraw/zinc/23/83/62/956238362.db2.gz IQZYTSZCSIKMNK-UONOGXRCSA-N -1 0 356.328 2.777 20 30 FFEDRM N#Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594620364 956276560 /nfs/dbraw/zinc/27/65/60/956276560.db2.gz FHCWSNCHMKNVDU-NVXWUHKLSA-N -1 0 353.353 2.810 20 30 FFEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])cc2)nc1 ZINC001594625237 956307730 /nfs/dbraw/zinc/30/77/30/956307730.db2.gz KKPJJQBSCXQRIB-CVEARBPZSA-N -1 0 351.362 2.729 20 30 FFEDRM N#Cc1cccc(-n2ccc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])n2)c1 ZINC001594627913 956325959 /nfs/dbraw/zinc/32/59/59/956325959.db2.gz YJQCAYUXQUPVGJ-IBGZPJMESA-N -1 0 372.384 2.568 20 30 FFEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594273810 957697227 /nfs/dbraw/zinc/69/72/27/957697227.db2.gz BHUNTWCHRTZCHV-INIZCTEOSA-N -1 0 366.483 2.732 20 30 FFEDRM COc1cccc([C@H](C#N)NC(=O)C2(C(=O)[O-])CCCCCC2)c1OC ZINC001594122323 958608205 /nfs/dbraw/zinc/60/82/05/958608205.db2.gz ZXQIHXLOEGIRMO-AWEZNQCLSA-N 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367.392 2.939 20 30 FFEDRM CCCCCCCCCS(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC001595704582 982277240 /nfs/dbraw/zinc/27/72/40/982277240.db2.gz BJQXFZLZHZLRAF-UHFFFAOYSA-N -1 0 374.503 2.762 20 30 FFEDRM CCCCCCC[C@@H](C)CNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001595704656 982278103 /nfs/dbraw/zinc/27/81/03/982278103.db2.gz GCTPSAPJLCLZAR-KDOFPFPSSA-N -1 0 353.463 2.998 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccsc1 ZINC001116067816 1032104260 /nfs/dbraw/zinc/10/42/60/1032104260.db2.gz IWQPCFHKUUIGIW-UHFFFAOYSA-N -1 0 358.448 2.974 20 30 FFEDRM Cc1cc(C=NNc2nnc(C)c(=O)[n-]2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000912791129 984117404 /nfs/dbraw/zinc/11/74/04/984117404.db2.gz DVHRFKIIAJGJOI-UHFFFAOYSA-N -1 0 367.369 2.647 20 30 FFEDRM O=C([N-]OCc1cccnc1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000151412394 984280877 /nfs/dbraw/zinc/28/08/77/984280877.db2.gz JFZPGADUPSVGRE-UHFFFAOYSA-N -1 0 371.396 2.668 20 30 FFEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001599903104 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N#Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCc1ccc(F)c(F)c1 ZINC001323754071 1045711611 /nfs/dbraw/zinc/71/16/11/1045711611.db2.gz KEYDGPYZSCYRHS-UHFFFAOYSA-N -1 0 364.373 2.664 20 30 FFEDRM C=CC[C@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)C(=O)[O-] ZINC001321657451 1045744702 /nfs/dbraw/zinc/74/47/02/1045744702.db2.gz HWFODYORGPCMQB-JTQLQIEISA-N -1 0 355.163 2.829 20 30 FFEDRM Cc1ccc(SCCC(=O)[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC001321706481 1045767278 /nfs/dbraw/zinc/76/72/78/1045767278.db2.gz OBWGXNINLKPYFU-UHFFFAOYSA-N -1 0 360.460 2.854 20 30 FFEDRM N#Cc1cc(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])ccc1Cl ZINC001324186458 1045907437 /nfs/dbraw/zinc/90/74/37/1045907437.db2.gz ZGJVSIYDGFCMBV-HNNXBMFYSA-N -1 0 370.858 2.914 20 30 FFEDRM CC1(C)CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)OC1 ZINC001331421380 1047926215 /nfs/dbraw/zinc/92/62/15/1047926215.db2.gz MFGNTOCDWQAGJX-LBPRGKRZSA-N -1 0 370.858 2.612 20 30 FFEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N)CC(F)(F)F ZINC001331919304 1048171329 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ZINC001342157272 1050749562 /nfs/dbraw/zinc/74/95/62/1050749562.db2.gz NURSBFSGKRUPGI-OAHLLOKOSA-N -1 0 358.405 2.952 20 30 FFEDRM CP(C)(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC001342156902 1050750356 /nfs/dbraw/zinc/75/03/56/1050750356.db2.gz LCRFATMEUNNGBQ-OAHLLOKOSA-N -1 0 356.366 2.743 20 30 FFEDRM C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001342241747 1050832409 /nfs/dbraw/zinc/83/24/09/1050832409.db2.gz SYEZWHACNOLJAM-LLVKDONJSA-N -1 0 358.833 2.539 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCOC2(CCCC2)C1 ZINC001342246396 1050837998 /nfs/dbraw/zinc/83/79/98/1050837998.db2.gz CBNQUAJELJYCCQ-UHFFFAOYSA-N -1 0 372.473 2.593 20 30 FFEDRM C=CCn1c(CC2CCCC2)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001301467696 1050900607 /nfs/dbraw/zinc/90/06/07/1050900607.db2.gz CDHZHYARKLYTJX-UHFFFAOYSA-N -1 0 364.453 2.732 20 30 FFEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)n[nH]2)o1 ZINC001342604175 1051210888 /nfs/dbraw/zinc/21/08/88/1051210888.db2.gz FLFUEYZYFYDKBP-LBPRGKRZSA-N -1 0 358.361 2.994 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnc(CC(C)(C)C)s1 ZINC001342694575 1051308465 /nfs/dbraw/zinc/30/84/65/1051308465.db2.gz ASIJAKJRCJSVAN-ZDUSSCGKSA-N -1 0 365.499 2.985 20 30 FFEDRM C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001342701090 1051315101 /nfs/dbraw/zinc/31/51/01/1051315101.db2.gz XESSCDZYDCYGDX-INIZCTEOSA-N -1 0 364.457 2.608 20 30 FFEDRM N#CC(=C([O-])c1ccc(CN2CCOCC2)o1)c1nc(C2CC2)cs1 ZINC001344862783 1052076795 /nfs/dbraw/zinc/07/67/95/1052076795.db2.gz QJVWKQCEHFKOPT-CQSZACIVSA-N -1 0 357.435 2.936 20 30 FFEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)nc1C ZINC001343461378 1052246899 /nfs/dbraw/zinc/24/68/99/1052246899.db2.gz AOGVDSFOZQCTNA-MRXNPFEDSA-N -1 0 359.389 2.917 20 30 FFEDRM C=CC1CCN(c2nnc(-c3cnc[nH]c3=O)n2Cc2cccs2)CC1 ZINC001343593183 1052325457 /nfs/dbraw/zinc/32/54/57/1052325457.db2.gz HSGIGMQWELYLOW-UHFFFAOYSA-N -1 0 368.466 2.953 20 30 FFEDRM N#Cc1cc(-c2nnc(N3CCCC(F)(F)C3)n2CC2CC2)c[n-]c1=O ZINC001345777343 1052609186 /nfs/dbraw/zinc/60/91/86/1052609186.db2.gz XUIJWGQMQHTDLB-UHFFFAOYSA-N -1 0 360.368 2.563 20 30 FFEDRM Cn1c(Cl)cnc1C(C#N)=C([O-])c1nc(N2CCCC2)ncc1Cl ZINC001346096730 1052746029 /nfs/dbraw/zinc/74/60/29/1052746029.db2.gz UCUKYLRSGDPKNQ-VIFPVBQESA-N -1 0 365.224 2.607 20 30 FFEDRM C=CCCCCCN(C)c1nnc(-c2cnc[nH]c2=O)n1C[C@H]1CCOC1 ZINC001346772885 1053297809 /nfs/dbraw/zinc/29/78/09/1053297809.db2.gz DXIHYIJDGGSTKO-OAHLLOKOSA-N -1 0 372.473 2.660 20 30 FFEDRM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)nnn1Cc1ccc(F)cc1 ZINC001347172278 1053686485 /nfs/dbraw/zinc/68/64/85/1053686485.db2.gz SQWOLKSVJALCII-AWEZNQCLSA-N -1 0 353.332 2.798 20 30 FFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2)c1ccccc1 ZINC001348270431 1054594301 /nfs/dbraw/zinc/59/43/01/1054594301.db2.gz MDFSYDWOBJIBMV-SJORKVTESA-N -1 0 364.449 2.889 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2csc(C(F)(F)F)c2)CCCC1 ZINC001348280094 1054601332 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ZINC001339483975 1056498792 /nfs/dbraw/zinc/49/87/92/1056498792.db2.gz LAZCWUKIVZOGIC-UHFFFAOYSA-N -1 0 374.489 2.837 20 30 FFEDRM COc1cc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)ccc1F ZINC001200603999 1058754689 /nfs/dbraw/zinc/75/46/89/1058754689.db2.gz XTHAUJLKZHJZJF-UHFFFAOYSA-N -1 0 355.231 2.606 20 30 FFEDRM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001448616221 1058794643 /nfs/dbraw/zinc/79/46/43/1058794643.db2.gz YDHDCIJWGFZYEU-UHFFFAOYSA-N -1 0 353.382 2.622 20 30 FFEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2nccn2C(C)C)C1=O ZINC001448758609 1058818481 /nfs/dbraw/zinc/81/84/81/1058818481.db2.gz UZMIXOVIHIJPDS-SFHVURJKSA-N -1 0 363.462 2.780 20 30 FFEDRM C#CC[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCCN1C(=O)OC(C)(C)C ZINC001454683191 1059606583 /nfs/dbraw/zinc/60/65/83/1059606583.db2.gz NXLWMPLSSCNSMN-FQEVSTJZSA-N -1 0 369.421 2.761 20 30 FFEDRM C=CCn1c(-c2c[n-]n(CC)c2=O)nnc1N1CC[C@H](c2nccs2)C1 ZINC001355888883 1060698212 /nfs/dbraw/zinc/69/82/12/1060698212.db2.gz 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C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588589710 1080113386 /nfs/dbraw/zinc/11/33/86/1080113386.db2.gz RWTWKZNRGNCGIV-VOJFVSQTSA-N -1 0 359.430 2.673 20 30 FFEDRM C=C(C)Cn1c(CC[C@@H]2CCCO2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588597392 1080118293 /nfs/dbraw/zinc/11/82/93/1080118293.db2.gz FHHPJNLARIXCHT-HRCADAONSA-N -1 0 362.474 2.513 20 30 FFEDRM C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588597954 1080118448 /nfs/dbraw/zinc/11/84/48/1080118448.db2.gz OWTUJFHRKUAQBA-IBGZPJMESA-N -1 0 374.416 2.574 20 30 FFEDRM C=C(C)Cn1c(Cc2cscn2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588598603 1080119469 /nfs/dbraw/zinc/11/94/69/1080119469.db2.gz IEYONMQDJGAXFQ-KRWDZBQOSA-N -1 0 361.471 2.593 20 30 FFEDRM C=C(C)Cn1c(N2CCc3cc(C(=O)[O-])ccc3C2)nnc1C(C)(C)C#N ZINC001588599186 1080119663 /nfs/dbraw/zinc/11/96/63/1080119663.db2.gz WQGKYHHQCONXQD-UHFFFAOYSA-N -1 0 365.437 2.916 20 30 FFEDRM C=C(CC)CNC(=O)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588605772 1080121452 /nfs/dbraw/zinc/12/14/52/1080121452.db2.gz MLZOSJBSAPLTKV-UHFFFAOYSA-N -1 0 370.858 2.928 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001588614987 1080122697 /nfs/dbraw/zinc/12/26/97/1080122697.db2.gz GRGRGAOULCHYRT-DNVCBOLYSA-N -1 0 373.497 2.870 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001588621843 1080125376 /nfs/dbraw/zinc/12/53/76/1080125376.db2.gz LAMRMBWHOSXUFY-UXIGCNINSA-N -1 0 354.447 2.558 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c(C)c1-c1ccc2c(c1)OCCO2 ZINC001588630510 1080128365 /nfs/dbraw/zinc/12/83/65/1080128365.db2.gz OOKHOYYJXWLCAT-UHFFFAOYSA-N -1 0 357.366 2.516 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC001588629201 1080128394 /nfs/dbraw/zinc/12/83/94/1080128394.db2.gz BALHCWJNVAMYEP-UHFFFAOYSA-N -1 0 356.781 2.675 20 30 FFEDRM C=C(CNC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001588636908 1080130329 /nfs/dbraw/zinc/13/03/29/1080130329.db2.gz YUYNXXFLYIEAOS-AWEZNQCLSA-N -1 0 366.417 2.718 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(=O)OCC ZINC001588641429 1080134309 /nfs/dbraw/zinc/13/43/09/1080134309.db2.gz BBROCJCUEQQWPZ-LBPRGKRZSA-N -1 0 360.193 2.842 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001588641480 1080134753 /nfs/dbraw/zinc/13/47/53/1080134753.db2.gz CUBHVAQWDGJRNT-QWHCGFSZSA-N -1 0 374.865 2.639 20 30 FFEDRM C=C1CCC(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])CC1 ZINC001588644135 1080136035 /nfs/dbraw/zinc/13/60/35/1080136035.db2.gz DJQNQQJAGFZFLR-HNNXBMFYSA-N -1 0 366.458 2.655 20 30 FFEDRM C=C1CCC(CNC(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)CC1 ZINC001588649850 1080139445 /nfs/dbraw/zinc/13/94/45/1080139445.db2.gz IHLVMHSRRBOBPY-IBGZPJMESA-N -1 0 350.459 2.524 20 30 FFEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001588651653 1080141768 /nfs/dbraw/zinc/14/17/68/1080141768.db2.gz MRISQGZCHJAWCA-CYBMUJFWSA-N -1 0 369.462 2.533 20 30 FFEDRM C=CCC(C)(C)C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)[O-] ZINC001588731381 1080174917 /nfs/dbraw/zinc/17/49/17/1080174917.db2.gz HVGZQVXXQIDEHF-CYBMUJFWSA-N -1 0 370.243 3.000 20 30 FFEDRM C=CC[C@H](C(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588731925 1080175217 /nfs/dbraw/zinc/17/52/17/1080175217.db2.gz QTJILZKOZMMXDR-PBHICJAKSA-N -1 0 359.422 2.601 20 30 FFEDRM C=CC[C@@H](c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCOC)c1ccccc1 ZINC001588762615 1080183840 /nfs/dbraw/zinc/18/38/40/1080183840.db2.gz KXPFZPWQAGRPNA-DLBZAZTESA-N -1 0 370.453 2.543 20 30 FFEDRM C=CC[C@@]1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCCN1C(=O)OC(C)(C)C ZINC001588762244 1080184074 /nfs/dbraw/zinc/18/40/74/1080184074.db2.gz HFYRRCKUFXCDEW-KUHUBIRLSA-N -1 0 366.458 2.702 20 30 FFEDRM C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001588771018 1080188571 /nfs/dbraw/zinc/18/85/71/1080188571.db2.gz LRRIZUJAKYUXJT-CMPLNLGQSA-N -1 0 365.817 2.623 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C)C(=O)[O-] ZINC001588790039 1080197654 /nfs/dbraw/zinc/19/76/54/1080197654.db2.gz PALLSFGVCJBCKS-ZIAGYGMSSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCN(CCC#N)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001588826528 1080209477 /nfs/dbraw/zinc/20/94/77/1080209477.db2.gz IIDDBNAWGIQCGU-LBPRGKRZSA-N -1 0 361.467 2.911 20 30 FFEDRM C=CCN(CCc1ccco1)C(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001588829287 1080210963 /nfs/dbraw/zinc/21/09/63/1080210963.db2.gz OHVJASVOUITVNH-UHFFFAOYSA-N -1 0 362.407 2.544 20 30 FFEDRM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001588831874 1080211680 /nfs/dbraw/zinc/21/16/80/1080211680.db2.gz VBHVWGUAHLMALS-UHFFFAOYSA-N -1 0 361.419 2.770 20 30 FFEDRM C=CCOC[C@@H](NC(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588855469 1080218896 /nfs/dbraw/zinc/21/88/96/1080218896.db2.gz HTRKYPVZNPQHQC-LLVKDONJSA-N -1 0 368.163 2.857 20 30 FFEDRM C=CCOC[C@H](NC(=O)CCOc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588853899 1080219295 /nfs/dbraw/zinc/21/92/95/1080219295.db2.gz KXVLPYWSYKQSBF-LBPRGKRZSA-N -1 0 362.209 2.534 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(Nc2ccccc2OC)cc1)C(=O)[O-] ZINC001588862286 1080221286 /nfs/dbraw/zinc/22/12/86/1080221286.db2.gz VADIMKFBVXOIIJ-QGZVFWFLSA-N -1 0 370.405 2.824 20 30 FFEDRM C=CCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588869545 1080222407 /nfs/dbraw/zinc/22/24/07/1080222407.db2.gz KHKJHBSIJXIYIL-MRXNPFEDSA-N -1 0 373.380 2.997 20 30 FFEDRM C=CCOc1ccc(/C=C/C(=O)NCc2ncc(C(=O)[O-])s2)cc1OC ZINC001588874742 1080225122 /nfs/dbraw/zinc/22/51/22/1080225122.db2.gz FIGCFHWGNMDWTM-FNORWQNLSA-N -1 0 374.418 2.744 20 30 FFEDRM C=CCOc1ccc(CC(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001588873636 1080225736 /nfs/dbraw/zinc/22/57/36/1080225736.db2.gz DXNLLIFCKHBWAJ-HXUWFJFHSA-N -1 0 367.401 2.841 20 30 FFEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001588885749 1080234218 /nfs/dbraw/zinc/23/42/18/1080234218.db2.gz UXKHHDLOVVLRSU-UHFFFAOYSA-N -1 0 369.395 2.677 20 30 FFEDRM C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588889384 1080237562 /nfs/dbraw/zinc/23/75/62/1080237562.db2.gz SJERFYREZWFCJH-FQEVSTJZSA-N -1 0 363.421 2.980 20 30 FFEDRM C=CCn1c(-c2nccs2)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588891795 1080238865 /nfs/dbraw/zinc/23/88/65/1080238865.db2.gz UDUZSHPSOJDWPE-UHFFFAOYSA-N -1 0 367.434 2.849 20 30 FFEDRM C=CCn1c([C@@H](O)/C=C/CC)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588895254 1080244582 /nfs/dbraw/zinc/24/45/82/1080244582.db2.gz AVSWFAHHEQBJEU-RTRPANQVSA-N -1 0 368.437 2.725 20 30 FFEDRM C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588896037 1080245214 /nfs/dbraw/zinc/24/52/14/1080245214.db2.gz DNPDMIFLMCNYRE-RWMBFGLXSA-N -1 0 354.401 2.914 20 30 FFEDRM C=CCn1c([C@@H](C)C(C)(C)O)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588897171 1080246324 /nfs/dbraw/zinc/24/63/24/1080246324.db2.gz XNEABNSXEGYVHU-CYBMUJFWSA-N -1 0 370.453 2.599 20 30 FFEDRM C=CCn1c(C)cc(C(=O)CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1C ZINC001588896225 1080246467 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2.923 20 30 FFEDRM CC#CC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)[O-])c3n2CCC3)c1 ZINC001588926191 1080269546 /nfs/dbraw/zinc/26/95/46/1080269546.db2.gz MSCQGBXYCUEVQB-UHFFFAOYSA-N -1 0 366.373 2.548 20 30 FFEDRM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001588925872 1080269988 /nfs/dbraw/zinc/26/99/88/1080269988.db2.gz YTDWXHJCHNXFTQ-OAHLLOKOSA-N -1 0 372.421 2.581 20 30 FFEDRM C[C@@](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)(C(=O)[O-])c1ccccc1 ZINC001589051551 1080326298 /nfs/dbraw/zinc/32/62/98/1080326298.db2.gz BKTDBASDJNYMJM-RXVVDRJESA-N -1 0 363.417 2.887 20 30 FFEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589132128 1080379558 /nfs/dbraw/zinc/37/95/58/1080379558.db2.gz NUJGFJSKOSQZJH-ZMLRMANQSA-N -1 0 370.858 2.625 20 30 FFEDRM CC(C)(C)c1csc(NC(=O)Cc2ccc(-c3nn[nH]n3)nc2)c1C#N ZINC001589236952 1080438695 /nfs/dbraw/zinc/43/86/95/1080438695.db2.gz GDMOXEMRIWKPCG-UHFFFAOYSA-N -1 0 367.438 2.674 20 30 FFEDRM 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ZINC001350241526 1055688444 /nfs/dbraw/zinc/68/84/44/1055688444.db2.gz IPCOQRIRIQAJLX-MRXNPFEDSA-N -1 0 373.478 2.774 20 30 FFEDRM CN(C)c1ncc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)cc1Cl ZINC000847691842 1056375715 /nfs/dbraw/zinc/37/57/15/1056375715.db2.gz VWUAIKWBXCVWNS-HNNXBMFYSA-N -1 0 370.840 2.782 20 30 FFEDRM C=C(Cn1c(C)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1)c1ccccc1 ZINC001359138367 1056740306 /nfs/dbraw/zinc/74/03/06/1056740306.db2.gz SBYNLPZKNCRSMY-UHFFFAOYSA-N -1 0 372.432 2.835 20 30 FFEDRM COc1cc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C#N)ccc1F ZINC001200491733 1058355367 /nfs/dbraw/zinc/35/53/67/1058355367.db2.gz NLEQBKMNYGNVFG-UHFFFAOYSA-N -1 0 366.370 2.524 20 30 FFEDRM C=CCSc1ccccc1C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC001447086081 1058593792 /nfs/dbraw/zinc/59/37/92/1058593792.db2.gz VUPBRDDYPVAWKR-UHFFFAOYSA-N -1 0 364.448 2.570 20 30 FFEDRM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1cc(C#N)ccc1[O-] ZINC001447066297 1058595388 /nfs/dbraw/zinc/59/53/88/1058595388.db2.gz 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C[C@@H]1c2c(F)cccc2CCN1c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C ZINC001355429031 1060234855 /nfs/dbraw/zinc/23/48/55/1060234855.db2.gz QACXKYBIIZYNQE-LLVKDONJSA-N -1 0 364.384 2.717 20 30 FFEDRM O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000848638359 1060382723 /nfs/dbraw/zinc/38/27/23/1060382723.db2.gz GQWOQPZKKZHBPC-FNORWQNLSA-N -1 0 367.449 2.653 20 30 FFEDRM Cc1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1C/C=C\c1ccccc1 ZINC001511855564 1060443964 /nfs/dbraw/zinc/44/39/64/1060443964.db2.gz UUAIKPCAKHQAEH-YVMONPNESA-N -1 0 372.432 2.835 20 30 FFEDRM C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCc2ccsc2[C@H]1C ZINC001355990138 1060790591 /nfs/dbraw/zinc/79/05/91/1060790591.db2.gz NHZHKHCJNWQVQF-LLVKDONJSA-N -1 0 356.455 2.755 20 30 FFEDRM Cc1c(C#N)c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n2ccccc12 ZINC001521597240 1060999792 /nfs/dbraw/zinc/99/97/92/1060999792.db2.gz YMZNFLODSNVUCU-UHFFFAOYSA-N -1 0 374.404 2.666 20 30 FFEDRM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001464379443 1062581946 /nfs/dbraw/zinc/58/19/46/1062581946.db2.gz IEGAGBYCBLSSTB-VIFPVBQESA-N -1 0 369.226 2.507 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cc1C#N ZINC001530890824 1062653917 /nfs/dbraw/zinc/65/39/17/1062653917.db2.gz SRQPWIUWRIMZGB-SECBINFHSA-N -1 0 359.382 2.948 20 30 FFEDRM C#CCN(CC#CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC001465451515 1063098811 /nfs/dbraw/zinc/09/88/11/1063098811.db2.gz OYBJGTVRZXATQL-UHFFFAOYSA-N -1 0 372.471 2.648 20 30 FFEDRM N#Cc1csc(C(=O)[N-]N2Cc3ccc(Br)cc3C2=O)c1 ZINC001470235823 1064283174 /nfs/dbraw/zinc/28/31/74/1064283174.db2.gz AXGGLXIFSHKTMO-UHFFFAOYSA-N -1 0 362.208 2.683 20 30 FFEDRM N#Cc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)nc1 ZINC001470344550 1064309143 /nfs/dbraw/zinc/30/91/43/1064309143.db2.gz WJUCYRFWEZPSFH-UHFFFAOYSA-N -1 0 352.350 2.587 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)[N-]OCCCC(F)(F)F ZINC001471408534 1064667275 /nfs/dbraw/zinc/66/72/75/1064667275.db2.gz RXUYNXHYMGTGOK-LLVKDONJSA-N -1 0 367.368 2.964 20 30 FFEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001472622790 1065113916 /nfs/dbraw/zinc/11/39/16/1065113916.db2.gz OLXSWEWCGFNXSW-UHFFFAOYSA-N -1 0 362.389 2.653 20 30 FFEDRM Cn1c(=O)[n-]c(N[C@@H](c2ccccc2)c2cccc(Cl)c2)c(C#N)c1=O ZINC001472661654 1065123479 /nfs/dbraw/zinc/12/34/79/1065123479.db2.gz HRNLOWITEXBFEP-INIZCTEOSA-N -1 0 366.808 2.800 20 30 FFEDRM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)o1 ZINC001474853429 1065627638 /nfs/dbraw/zinc/62/76/38/1065627638.db2.gz URBOZKAWJGGENO-YGRLFVJLSA-N -1 0 361.379 2.661 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N=[S@](C)(=O)c2ccc(C)cc2)cc1C#N ZINC001585460370 1079465414 /nfs/dbraw/zinc/46/54/14/1079465414.db2.gz RMGPNVLGASZYOT-XMMPIXPASA-N -1 0 361.448 2.986 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001557326353 1075839410 /nfs/dbraw/zinc/83/94/10/1075839410.db2.gz OIYBZZMUFLSMBY-IFXJQAMLSA-N -1 0 368.474 2.541 20 30 FFEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(Br)cc(F)c2N)c1 ZINC001567073222 1076999716 /nfs/dbraw/zinc/99/97/16/1076999716.db2.gz PXSGUMRXTVAOJQ-UHFFFAOYSA-N -1 0 350.147 3.000 20 30 FFEDRM N#Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1F ZINC001570339540 1077200058 /nfs/dbraw/zinc/20/00/58/1077200058.db2.gz OUNOBDHZCNLOIR-UHFFFAOYSA-N -1 0 354.316 2.658 20 30 FFEDRM N#Cc1nc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)[n-]c1C#N ZINC001570860890 1077236769 /nfs/dbraw/zinc/23/67/69/1077236769.db2.gz DILXRAKJHASJIV-LLVKDONJSA-N -1 0 356.183 2.584 20 30 FFEDRM C#CC[C@]1(C(=O)NCCCCCC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001573303736 1077664482 /nfs/dbraw/zinc/66/44/82/1077664482.db2.gz RHXZRGHAGZAVHO-LJQANCHMSA-N -1 0 366.458 2.541 20 30 FFEDRM C#CCOc1ccccc1NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001573312817 1077667425 /nfs/dbraw/zinc/66/74/25/1077667425.db2.gz ZKGLROQQUTZYPD-UHFFFAOYSA-N -1 0 366.373 2.823 20 30 FFEDRM C#CCN(CC(=O)[O-])Cc1ccc(Br)cc1C(F)(F)F ZINC001573321394 1077669737 /nfs/dbraw/zinc/66/97/37/1077669737.db2.gz WVVQPTPJNLAXHP-UHFFFAOYSA-N -1 0 350.134 2.988 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC001573332911 1077672329 /nfs/dbraw/zinc/67/23/29/1077672329.db2.gz UAZMSHMBXAKKCV-OAHLLOKOSA-N -1 0 362.451 2.564 20 30 FFEDRM C=C(Cn1c(CC(C)C)nnc1N1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC001573344433 1077675902 /nfs/dbraw/zinc/67/59/02/1077675902.db2.gz YBYGWHHWUROVQJ-UHFFFAOYSA-N -1 0 369.469 2.990 20 30 FFEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001573350094 1077678236 /nfs/dbraw/zinc/67/82/36/1077678236.db2.gz BDNCSRXUVOHFEX-ZDUSSCGKSA-N -1 0 351.449 2.912 20 30 FFEDRM C=CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12)[C@@H](C)COC ZINC001573360704 1077681957 /nfs/dbraw/zinc/68/19/57/1077681957.db2.gz VVSZYYDSPMVJAA-ZDUSSCGKSA-N -1 0 373.409 2.753 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001573368717 1077684304 /nfs/dbraw/zinc/68/43/04/1077684304.db2.gz PTENQOFFIBOPMV-UHFFFAOYSA-N -1 0 355.438 2.972 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC001573368811 1077684405 /nfs/dbraw/zinc/68/44/05/1077684405.db2.gz RVZCSPFSUVYQOY-UWJYYQICSA-N -1 0 364.401 2.799 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc2ccnc(Cl)c2c1)C(=O)[O-] ZINC001573365588 1077684414 /nfs/dbraw/zinc/68/44/14/1077684414.db2.gz GZTLLLCNALOCNK-CQSZACIVSA-N -1 0 368.842 2.976 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1c2c(nn1C)CCC2 ZINC001573378549 1077687684 /nfs/dbraw/zinc/68/76/84/1077687684.db2.gz OARQXGCZTVFCIZ-UHFFFAOYSA-N -1 0 356.378 2.563 20 30 FFEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573415062 1077696596 /nfs/dbraw/zinc/69/65/96/1077696596.db2.gz YVNQXXDBMHDILG-AUSJPIAWSA-N -1 0 372.421 2.677 20 30 FFEDRM CC[C@H](C(=O)[O-])N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001573769012 1077790381 /nfs/dbraw/zinc/79/03/81/1077790381.db2.gz ZBHKGVCIXJWOCH-MRXNPFEDSA-N -1 0 360.458 2.825 20 30 FFEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC001573818884 1077807296 /nfs/dbraw/zinc/80/72/96/1077807296.db2.gz KBFNMQCFUQAVOI-FQEVSTJZSA-N -1 0 371.437 2.770 20 30 FFEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC001574112122 1077904478 /nfs/dbraw/zinc/90/44/78/1077904478.db2.gz PYYRGBDFWIHSRA-IBGZPJMESA-N -1 0 354.362 2.565 20 30 FFEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001574485877 1078000757 /nfs/dbraw/zinc/00/07/57/1078000757.db2.gz LWBKGQVLZUPSBB-MRXNPFEDSA-N -1 0 374.393 2.606 20 30 FFEDRM COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001574590749 1078028739 /nfs/dbraw/zinc/02/87/39/1078028739.db2.gz GYEIIODUKMCZGQ-UHFFFAOYSA-N -1 0 369.377 2.603 20 30 FFEDRM C#C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Br)cc1 ZINC001588372110 1079995177 /nfs/dbraw/zinc/99/51/77/1079995177.db2.gz DGQSJSAUHPMMIY-LBPRGKRZSA-N -1 0 353.216 2.533 20 30 FFEDRM C#C[C@@H](NC(=O)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)(C)C ZINC001588371078 1079995450 /nfs/dbraw/zinc/99/54/50/1079995450.db2.gz VKWJKYXWVNWRLE-MRXNPFEDSA-N -1 0 352.390 2.641 20 30 FFEDRM C#C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(Cl)cc1F ZINC001588374249 1079997629 /nfs/dbraw/zinc/99/76/29/1079997629.db2.gz SCQXUQOMUGSMQH-TUKIKUTGSA-N -1 0 353.777 2.682 20 30 FFEDRM C#CCC(C)(C)c1nnc(N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1C ZINC001588390596 1080003033 /nfs/dbraw/zinc/00/30/33/1080003033.db2.gz YTUPVQICKFKDTM-GFCCVEGCSA-N -1 0 373.482 2.655 20 30 FFEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001588393714 1080004956 /nfs/dbraw/zinc/00/49/56/1080004956.db2.gz FVKNKKDRILEUON-AWEZNQCLSA-N -1 0 357.435 2.916 20 30 FFEDRM C=C(C)C(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC001588402569 1080010955 /nfs/dbraw/zinc/01/09/55/1080010955.db2.gz IHUMYEJAURQAMB-UHFFFAOYSA-N -1 0 363.805 2.604 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC001588418620 1080021513 /nfs/dbraw/zinc/02/15/13/1080021513.db2.gz ALWFSNIVHNBYFF-UHFFFAOYSA-N -1 0 351.358 2.842 20 30 FFEDRM C#CCN(CC(=O)[O-])[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001588420209 1080022296 /nfs/dbraw/zinc/02/22/96/1080022296.db2.gz QKLPSLFGKFZAPK-SNVBAGLBSA-N -1 0 353.300 2.836 20 30 FFEDRM C#CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC001588434736 1080027079 /nfs/dbraw/zinc/02/70/79/1080027079.db2.gz RRODOTLMHOONLE-SNVBAGLBSA-N -1 0 359.806 2.601 20 30 FFEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588433911 1080027323 /nfs/dbraw/zinc/02/73/23/1080027323.db2.gz WVDOJARZESTDTD-INIZCTEOSA-N -1 0 356.353 2.655 20 30 FFEDRM C#CCCCCC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001588439681 1080029083 /nfs/dbraw/zinc/02/90/83/1080029083.db2.gz DPHQQYHXRDNVLK-AWEZNQCLSA-N -1 0 357.328 2.891 20 30 FFEDRM C=CC[C@]1(C(=O)N(C)C[C@@H](C)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588458384 1080034611 /nfs/dbraw/zinc/03/46/11/1080034611.db2.gz UAJJWLZTAZYHFH-FZKQIMNGSA-N -1 0 354.447 2.511 20 30 FFEDRM C#CCN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001588469731 1080038427 /nfs/dbraw/zinc/03/84/27/1080038427.db2.gz PFLSGGCBUHENJK-GOSISDBHSA-N -1 0 355.365 2.873 20 30 FFEDRM C#Cc1cccc(CNC(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c1 ZINC001588522101 1080075044 /nfs/dbraw/zinc/07/50/44/1080075044.db2.gz BKRVQQQXNGTCCA-GFCCVEGCSA-N -1 0 356.353 2.981 20 30 FFEDRM C#Cc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2OCCOC)c1 ZINC001588522090 1080075307 /nfs/dbraw/zinc/07/53/07/1080075307.db2.gz ASHKYWLVMCIIGR-UHFFFAOYSA-N -1 0 368.389 2.713 20 30 FFEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)CC2(C(=O)[O-])CC2)c1 ZINC001588523688 1080076159 /nfs/dbraw/zinc/07/61/59/1080076159.db2.gz SYIAIBCGJAUIND-UHFFFAOYSA-N -1 0 369.442 2.869 20 30 FFEDRM C=C(C)[C@H](CC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)OCC ZINC001588529916 1080079688 /nfs/dbraw/zinc/07/96/88/1080079688.db2.gz LRKHGYIEEOCCHL-OLZOCXBDSA-N -1 0 352.456 2.919 20 30 FFEDRM C=C(Br)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588529169 1080080001 /nfs/dbraw/zinc/08/00/01/1080080001.db2.gz RAQJAFMYOBGIDY-LBPRGKRZSA-N -1 0 369.263 2.755 20 30 FFEDRM C=C(C)[C@H](NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588534431 1080084119 /nfs/dbraw/zinc/08/41/19/1080084119.db2.gz GKXALLNCIUAZOB-RDJZCZTQSA-N -1 0 354.397 2.787 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001588536079 1080085076 /nfs/dbraw/zinc/08/50/76/1080085076.db2.gz OCSJNGPIDJZYHT-XPTSAGLGSA-N -1 0 351.315 2.594 20 30 FFEDRM C=C(C)COc1cccc(NC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001588573506 1080104023 /nfs/dbraw/zinc/10/40/23/1080104023.db2.gz NHSLGPWOUKZNRA-UHFFFAOYSA-N -1 0 360.391 2.978 20 30 FFEDRM C=CCCCC(=O)N(CC)CCNc1snc(Cl)c1-c1nn[nH]n1 ZINC001588582056 1080107430 /nfs/dbraw/zinc/10/74/30/1080107430.db2.gz GFLQOOVLZBDOBE-UHFFFAOYSA-N -1 0 369.882 2.593 20 30 FFEDRM C=C(C)Cn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588588832 1080112393 /nfs/dbraw/zinc/11/23/93/1080112393.db2.gz AYUPFZGKJRFIQH-TYNCELHUSA-N -1 0 372.473 2.503 20 30 FFEDRM C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588589508 1080113634 /nfs/dbraw/zinc/11/36/34/1080113634.db2.gz PJZMSYWHVXTVMC-OWCLPIDISA-N -1 0 369.469 2.948 20 30 FFEDRM C=C(C)Cn1c([C@@H](CC)CO)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588590119 1080113846 /nfs/dbraw/zinc/11/38/46/1080113846.db2.gz ZGEXAKYTBIQXMQ-ZDUSSCGKSA-N -1 0 362.430 2.576 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCC[C@@H](O)C2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588591739 1080114274 /nfs/dbraw/zinc/11/42/74/1080114274.db2.gz MLBAWOCMRXWLSZ-MFCZKXCZSA-N -1 0 374.485 2.564 20 30 FFEDRM C=C(C)Cn1c([C@H]2CCCS2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588591384 1080114408 /nfs/dbraw/zinc/11/44/08/1080114408.db2.gz IIWUBLJRAJYTQY-AHIWAGSCSA-N -1 0 350.488 2.969 20 30 FFEDRM C=C(C)Cn1c([C@@H]2CCCCN2C)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588590807 1080114677 /nfs/dbraw/zinc/11/46/77/1080114677.db2.gz BYPBAHAKASOVFZ-OAGGEKHMSA-N -1 0 361.490 2.558 20 30 FFEDRM 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FFEDRM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260435779 1040591192 /nfs/dbraw/zinc/59/11/92/1040591192.db2.gz SSYQYRUWLKUCRB-UHFFFAOYSA-N -1 0 372.482 2.648 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cnc1C#N ZINC001260496135 1040625769 /nfs/dbraw/zinc/62/57/69/1040625769.db2.gz MDNSLMZKJSYOTC-UHFFFAOYSA-N -1 0 357.313 2.961 20 30 FFEDRM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC001260496003 1040626321 /nfs/dbraw/zinc/62/63/21/1040626321.db2.gz FEWHVMPDNDHXET-UHFFFAOYSA-N -1 0 357.313 2.961 20 30 FFEDRM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C#N)s1 ZINC001260706868 1040735532 /nfs/dbraw/zinc/73/55/32/1040735532.db2.gz SWHAENNLLYRDCM-UHFFFAOYSA-N -1 0 364.452 2.897 20 30 FFEDRM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)c1 ZINC001260812564 1040817828 /nfs/dbraw/zinc/81/78/28/1040817828.db2.gz KQIXPLGMTICRHT-UHFFFAOYSA-N -1 0 366.402 2.866 20 30 FFEDRM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC001213722625 1040838772 /nfs/dbraw/zinc/83/87/72/1040838772.db2.gz MAILBZHUNIGWLI-KRWDZBQOSA-N -1 0 360.410 2.942 20 30 FFEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C#N)c1 ZINC001260844787 1040846764 /nfs/dbraw/zinc/84/67/64/1040846764.db2.gz FPPDTHRENQMALR-UHFFFAOYSA-N -1 0 350.783 2.799 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C(C)(C)C)cc1Cl ZINC001260967401 1040895305 /nfs/dbraw/zinc/89/53/05/1040895305.db2.gz GCUYQFDMBNIUPN-UHFFFAOYSA-N -1 0 368.846 2.973 20 30 FFEDRM Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261005734 1040930338 /nfs/dbraw/zinc/93/03/38/1040930338.db2.gz XIMXJONONSNVOX-UHFFFAOYSA-N -1 0 360.292 2.615 20 30 FFEDRM C#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC001261043671 1040955682 /nfs/dbraw/zinc/95/56/82/1040955682.db2.gz JHRQJWFSDVQGGT-UHFFFAOYSA-N -1 0 351.225 2.935 20 30 FFEDRM N#Cc1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261067935 1040973954 /nfs/dbraw/zinc/97/39/54/1040973954.db2.gz RXJMICONMVLJCG-UHFFFAOYSA-N -1 0 370.177 2.597 20 30 FFEDRM Cc1nc(N2CCOCC2)sc1C=[NH+][N-]c1ccc(C(=O)[O-])c(F)c1 ZINC001261277980 1041127860 /nfs/dbraw/zinc/12/78/60/1041127860.db2.gz RUZNVPGFUUGYRZ-UHFFFAOYSA-N -1 0 364.402 2.571 20 30 FFEDRM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1cnccc1C#N ZINC001250640370 1041275416 /nfs/dbraw/zinc/27/54/16/1041275416.db2.gz TXNXPDFFKLOWPE-UHFFFAOYSA-N -1 0 352.419 2.973 20 30 FFEDRM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccc(C#N)nc1 ZINC001250639915 1041275891 /nfs/dbraw/zinc/27/58/91/1041275891.db2.gz JFBUJXLPJGZSNJ-UHFFFAOYSA-N -1 0 352.419 2.973 20 30 FFEDRM COC(=O)c1sc(SC)c(C#N)c1[N-]S(=O)(=O)c1cccs1 ZINC001250866743 1041409519 /nfs/dbraw/zinc/40/95/19/1041409519.db2.gz AFBRCQBNVXETLA-UHFFFAOYSA-N -1 0 374.490 2.991 20 30 FFEDRM N#Cc1ccc(-c2noc(-c3cc(Br)c(O)cc3[O-])n2)nc1 ZINC001215474226 1041797249 /nfs/dbraw/zinc/79/72/49/1041797249.db2.gz ZEHKDLYUPBIIRE-UHFFFAOYSA-N -1 0 359.139 2.844 20 30 FFEDRM C=CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001262983214 1042008636 /nfs/dbraw/zinc/00/86/36/1042008636.db2.gz FIKASXDYAGFVOI-AWEZNQCLSA-N -1 0 350.426 2.730 20 30 FFEDRM N#Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1OC1CC[NH2+]CC1 ZINC001242163551 1044693246 /nfs/dbraw/zinc/69/32/46/1044693246.db2.gz ZGDLQAIFQYGNHY-UHFFFAOYSA-N -1 0 366.373 2.752 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(OCC#N)cc3)nc2)no1 ZINC001243588329 1044957586 /nfs/dbraw/zinc/95/75/86/1044957586.db2.gz BTLHJKOZZANBCX-UHFFFAOYSA-N -1 0 370.390 2.748 20 30 FFEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1C1CCCC1 ZINC001319615526 1045215558 /nfs/dbraw/zinc/21/55/58/1045215558.db2.gz GDTNLHYASFLGOZ-UHFFFAOYSA-N -1 0 372.450 2.605 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H](C)CC1CCCCC1 ZINC001320557550 1045428446 /nfs/dbraw/zinc/42/84/46/1045428446.db2.gz NVTKMJJXFDBENY-CYBMUJFWSA-N -1 0 364.467 2.978 20 30 FFEDRM C=CC[C@H](NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001321206834 1045587342 /nfs/dbraw/zinc/58/73/42/1045587342.db2.gz UBCFMCOQTXJLDV-ZDUSSCGKSA-N -1 0 370.327 2.591 20 30 FFEDRM C=CC[C@@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)C(=O)[O-] ZINC001324952063 1046305515 /nfs/dbraw/zinc/30/55/15/1046305515.db2.gz HKDBXYZOPHTFHU-OAHLLOKOSA-N -1 0 366.845 2.717 20 30 FFEDRM C=CC[C@@H](NC(=O)c1cc(Br)cc(OC(C)C)c1)C(=O)[O-] ZINC001325146823 1046392780 /nfs/dbraw/zinc/39/27/80/1046392780.db2.gz SNTFXDVRGRDYFW-CYBMUJFWSA-N -1 0 356.216 2.995 20 30 FFEDRM C[C@@H](OC1CCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC001325405784 1046496956 /nfs/dbraw/zinc/49/69/56/1046496956.db2.gz LZKFSSHFSWUBFJ-CQSZACIVSA-N -1 0 356.488 2.644 20 30 FFEDRM C=CCC1(C(=O)Nc2cccc(-n3ccc(C(=O)[O-])n3)c2)CCOCC1 ZINC001325868443 1046668279 /nfs/dbraw/zinc/66/82/79/1046668279.db2.gz HGJPSQNWSLREAW-UHFFFAOYSA-N -1 0 355.394 2.882 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001326081904 1046757516 /nfs/dbraw/zinc/75/75/16/1046757516.db2.gz BNVQWOAJGQGPDV-UHFFFAOYSA-N -1 0 372.299 2.835 20 30 FFEDRM C=CCn1c(-c2ccccc2C)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001286772601 1047176467 /nfs/dbraw/zinc/17/64/67/1047176467.db2.gz KRXDTLRTGUNCQF-UHFFFAOYSA-N -1 0 372.432 2.975 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001329989595 1048996031 /nfs/dbraw/zinc/99/60/31/1048996031.db2.gz QXNSYAYUUMHCNH-NWDGAFQWSA-N -1 0 360.357 2.732 20 30 FFEDRM C=CC[C@@H](NC(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1)C(=O)[O-] ZINC001334183130 1049296415 /nfs/dbraw/zinc/29/64/15/1049296415.db2.gz VECRAQUSFYQFQY-CQSZACIVSA-N -1 0 356.426 2.762 20 30 FFEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccccc1[C@@H](O)C(F)(F)F ZINC001295719943 1049978589 /nfs/dbraw/zinc/97/85/89/1049978589.db2.gz GVVAMGZFBSDIKU-CYBMUJFWSA-N -1 0 351.284 2.815 20 30 FFEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2nc[nH]c2C(F)(F)F)n1 ZINC001296254602 1050042359 /nfs/dbraw/zinc/04/23/59/1050042359.db2.gz RTIXCGAGUNWINS-UHFFFAOYSA-N -1 0 364.262 2.877 20 30 FFEDRM CC(C)(C)[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1nc(=O)o[n-]1 ZINC001299829392 1050620252 /nfs/dbraw/zinc/62/02/52/1050620252.db2.gz BLTFDOLSDHSIDD-OAHLLOKOSA-N -1 0 368.437 2.950 20 30 FFEDRM C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001340561941 1050949670 /nfs/dbraw/zinc/94/96/70/1050949670.db2.gz SYEZWHACNOLJAM-NSHDSACASA-N -1 0 358.833 2.539 20 30 FFEDRM C=CCn1c(-c2cc(Cl)ncc2O)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001340602175 1050986486 /nfs/dbraw/zinc/98/64/86/1050986486.db2.gz ZFOHISKGRDYZBK-NEPJUHHUSA-N -1 0 363.849 2.889 20 30 FFEDRM CNC(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)n1 ZINC001342578199 1051182768 /nfs/dbraw/zinc/18/27/68/1051182768.db2.gz AMKZXHVJEDMDJS-JTQLQIEISA-N -1 0 369.331 2.676 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)C[C@H]1CC1(C)C ZINC001342726157 1051343935 /nfs/dbraw/zinc/34/39/35/1051343935.db2.gz HGYPAASXAXQOHS-OAHLLOKOSA-N -1 0 352.442 2.976 20 30 FFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCCC(F)(F)C1 ZINC001342895234 1051505878 /nfs/dbraw/zinc/50/58/78/1051505878.db2.gz NTPDIPMREJVUEY-UHFFFAOYSA-N -1 0 362.384 2.809 20 30 FFEDRM CC(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CCSC(C)(C)C1 ZINC001342896459 1051506276 /nfs/dbraw/zinc/50/62/76/1051506276.db2.gz XEMYZJUIBVTGGG-UHFFFAOYSA-N -1 0 372.498 2.905 20 30 FFEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001343007774 1051622827 /nfs/dbraw/zinc/62/28/27/1051622827.db2.gz TWJZUFOUXUSEFB-JKSUJKDBSA-N -1 0 372.473 2.591 20 30 FFEDRM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC001306878280 1052209558 /nfs/dbraw/zinc/20/95/58/1052209558.db2.gz ICSRSBMHPBFIGP-UHFFFAOYSA-N -1 0 364.173 2.863 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(-n2cccc2)ccc1Cl ZINC001343473400 1052254451 /nfs/dbraw/zinc/25/44/51/1052254451.db2.gz KIHUVKVBHCOYMA-HNNXBMFYSA-N -1 0 359.813 2.606 20 30 FFEDRM C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCC(c2ccco2)CC1 ZINC001343616864 1052338966 /nfs/dbraw/zinc/33/89/66/1052338966.db2.gz DMNBZOGTLPJLAI-UHFFFAOYSA-N -1 0 368.441 2.937 20 30 FFEDRM C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCC2(CCCCC2)C1 ZINC001343786879 1052419722 /nfs/dbraw/zinc/41/97/22/1052419722.db2.gz MVIQJLRTKORSQK-UHFFFAOYSA-N -1 0 356.474 2.629 20 30 FFEDRM CC1(C)CNC(=O)c2c(C([O-])=C(C#N)c3ncc(F)cc3F)coc2C1 ZINC001346000203 1052701633 /nfs/dbraw/zinc/70/16/33/1052701633.db2.gz OUIPOJJPSKYAOY-SNVBAGLBSA-N -1 0 359.332 2.755 20 30 FFEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1nc(N)c2ccccc2n1 ZINC001347064414 1053587290 /nfs/dbraw/zinc/58/72/90/1053587290.db2.gz YLNGPOTYHGIZCO-MRXNPFEDSA-N -1 0 354.373 2.888 20 30 FFEDRM CC[C@]1(C)CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)C1 ZINC001348146006 1054697728 /nfs/dbraw/zinc/69/77/28/1054697728.db2.gz TZGQZRLEWLWQNM-LJQANCHMSA-N -1 0 352.442 2.954 20 30 FFEDRM C[C@@H]1SCCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2CC2CC2)[C@H]1C ZINC001348146802 1054698095 /nfs/dbraw/zinc/69/80/95/1054698095.db2.gz ZRHYQQHIYFQTPL-RYUDHWBXSA-N -1 0 370.482 2.658 20 30 FFEDRM Cc1cccc(C#N)c1S(=O)(=O)[N-]c1ccccc1CN1CCCC1=O ZINC001348850036 1054960057 /nfs/dbraw/zinc/96/00/57/1054960057.db2.gz HJWGTWUEZOAZND-UHFFFAOYSA-N -1 0 369.446 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OKTYJCNRTAPFNS-GTNSWQLSSA-N -1 0 366.801 2.698 20 30 FFEDRM C=C(C)C[C@H](NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588541230 1080088091 /nfs/dbraw/zinc/08/80/91/1080088091.db2.gz VUBHFHBFRRUZII-AYPKIECRSA-N -1 0 366.458 2.725 20 30 FFEDRM C=C(C)C[C@H](NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)C(=O)[O-] ZINC001588543241 1080088534 /nfs/dbraw/zinc/08/85/34/1080088534.db2.gz ZKHQWRZIYOCLMW-AWEZNQCLSA-N -1 0 363.414 2.507 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2OC)[nH]c1=O)C(=O)[O-] ZINC001588546474 1080088809 /nfs/dbraw/zinc/08/88/09/1080088809.db2.gz LZKPITPSQDHTLB-OAHLLOKOSA-N -1 0 356.378 2.612 20 30 FFEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc2nc(Cl)sc2c1)C(=O)[O-] ZINC001588555714 1080093419 /nfs/dbraw/zinc/09/34/19/1080093419.db2.gz PVCDBGILPKUUQJ-JTQLQIEISA-N -1 0 360.844 2.647 20 30 FFEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1)C(=O)[O-] ZINC001588555277 1080093428 /nfs/dbraw/zinc/09/34/28/1080093428.db2.gz DBRSGYAKOKTXEL-CQSZACIVSA-N -1 0 368.842 2.894 20 30 FFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC001588557201 1080094519 /nfs/dbraw/zinc/09/45/19/1080094519.db2.gz GOGLMYSREPJVNV-MAUKXSAKSA-N -1 0 364.829 2.928 20 30 FFEDRM C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001588571264 1080102882 /nfs/dbraw/zinc/10/28/82/1080102882.db2.gz IITYZVVFQYXXEH-IUCAKERBSA-N -1 0 369.882 2.638 20 30 FFEDRM C=C(C)Cn1c(-c2nc[nH]c2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588576851 1080105043 /nfs/dbraw/zinc/10/50/43/1080105043.db2.gz CHJCBUFGFBJARS-UHFFFAOYSA-N -1 0 358.446 2.634 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)cc(C)n2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588576947 1080105105 /nfs/dbraw/zinc/10/51/05/1080105105.db2.gz IJRQMMBJHRUGEF-SFHVURJKSA-N -1 0 359.405 2.536 20 30 FFEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCc1nnnn1CC(F)(F)F ZINC001588576836 1080105490 /nfs/dbraw/zinc/10/54/90/1080105490.db2.gz BGOLNQUALKWJIJ-UHFFFAOYSA-N -1 0 356.304 2.631 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588578547 1080106193 /nfs/dbraw/zinc/10/61/93/1080106193.db2.gz LRMKFKKQMXFBFX-BBRMVZONSA-N -1 0 374.416 2.647 20 30 FFEDRM C=CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001588581807 1080107640 /nfs/dbraw/zinc/10/76/40/1080107640.db2.gz ATEHMWIXKVFCSQ-LSDHHAIUSA-N -1 0 369.473 2.575 20 30 FFEDRM C=C(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588591668 1080114452 /nfs/dbraw/zinc/11/44/52/1080114452.db2.gz LKGFZRJAHAWDGW-DOMZBBRYSA-N -1 0 355.398 2.717 20 30 FFEDRM C=C(C)Cn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588599408 1080119637 /nfs/dbraw/zinc/11/96/37/1080119637.db2.gz OGDTWIUNSDTUTM-RDJZCZTQSA-N -1 0 368.437 2.579 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC001588618858 1080123885 /nfs/dbraw/zinc/12/38/85/1080123885.db2.gz CKLRLLPISWDANA-MRXNPFEDSA-N -1 0 374.220 2.919 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001588623197 1080125212 /nfs/dbraw/zinc/12/52/12/1080125212.db2.gz LLUNRMYVOMIHGT-AWEZNQCLSA-N -1 0 365.735 2.627 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC001588630441 1080128711 /nfs/dbraw/zinc/12/87/11/1080128711.db2.gz LCYZXBNKGUGWRK-UHFFFAOYSA-N -1 0 374.162 2.734 20 30 FFEDRM C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588643616 1080135885 /nfs/dbraw/zinc/13/58/85/1080135885.db2.gz OBPHFCCYGAZLSM-CHWSQXEVSA-N -1 0 354.838 2.573 20 30 FFEDRM C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588643611 1080136050 /nfs/dbraw/zinc/13/60/50/1080136050.db2.gz NWMMMUUZSAAWEI-HNNXBMFYSA-N -1 0 371.828 2.870 20 30 FFEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C)/C=C\C(=O)[O-])s1 ZINC001588643154 1080136065 /nfs/dbraw/zinc/13/60/65/1080136065.db2.gz ADJIQMKDYFFQNN-WBSSQXGSSA-N -1 0 360.888 2.984 20 30 FFEDRM C=C[C@H](C(=O)[O-])N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001588663300 1080146373 /nfs/dbraw/zinc/14/63/73/1080146373.db2.gz DRCFYICFFDYUEB-CYBMUJFWSA-N -1 0 352.228 2.957 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001588771302 1080188440 /nfs/dbraw/zinc/18/84/40/1080188440.db2.gz ROYCZRCPVOEWKB-YGRLFVJLSA-N -1 0 366.364 2.853 20 30 FFEDRM C=CCC[C@H](O)CN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588778519 1080192244 /nfs/dbraw/zinc/19/22/44/1080192244.db2.gz CTRWJECSMMYBFI-XHDPSFHLSA-N -1 0 372.259 2.842 20 30 FFEDRM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c(C)n1 ZINC001588782206 1080193551 /nfs/dbraw/zinc/19/35/51/1080193551.db2.gz POJBNRADTKIYHW-UHFFFAOYSA-N -1 0 354.418 2.901 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC)C(=O)[O-] ZINC001588789745 1080196423 /nfs/dbraw/zinc/19/64/23/1080196423.db2.gz ITROPGOCNBQSEH-KKUMJFAQSA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(NC(=O)OCC)ccc1F)C(=O)[O-] ZINC001588792330 1080197569 /nfs/dbraw/zinc/19/75/69/1080197569.db2.gz DCNUKNMRHKPJQE-CQSZACIVSA-N -1 0 352.362 2.933 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588789921 1080197572 /nfs/dbraw/zinc/19/75/72/1080197572.db2.gz NBJZXYDPIHGYDW-IFXJQAMLSA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C1CCC(OC[C@H]2CCCO2)CC1)C(=O)[O-] ZINC001588790233 1080197764 /nfs/dbraw/zinc/19/77/64/1080197764.db2.gz UBPHFJCLWLPCNL-BHUNQDJPSA-N -1 0 353.459 2.667 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1)C(=O)[O-] ZINC001588790578 1080197971 /nfs/dbraw/zinc/19/79/71/1080197971.db2.gz ZHTQDQYEAFHEPQ-HZPDHXFCSA-N -1 0 358.438 2.582 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Cl)C(=O)[O-] ZINC001588792711 1080198731 /nfs/dbraw/zinc/19/87/31/1080198731.db2.gz MGIXIALVFDDEJQ-AWEZNQCLSA-N -1 0 373.858 2.673 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC001588797738 1080200645 /nfs/dbraw/zinc/20/06/45/1080200645.db2.gz KPXHBKFDUQZENN-HNNXBMFYSA-N -1 0 358.504 2.677 20 30 FFEDRM C=CCCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001588804035 1080203299 /nfs/dbraw/zinc/20/32/99/1080203299.db2.gz XBQMGLYRNOAVIL-UHFFFAOYSA-N -1 0 366.208 2.531 20 30 FFEDRM C=CCCn1cc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])nn1 ZINC001588817157 1080206543 /nfs/dbraw/zinc/20/65/43/1080206543.db2.gz BDUQDQXLTUUEDD-HNNXBMFYSA-N -1 0 373.438 2.541 20 30 FFEDRM C=CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588829243 1080210993 /nfs/dbraw/zinc/21/09/93/1080210993.db2.gz LOKYAWXYGYVXLM-SFHVURJKSA-N -1 0 356.422 2.875 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588856395 1080219031 /nfs/dbraw/zinc/21/90/31/1080219031.db2.gz YRSOUVOJIODSHZ-ZWKOTPCHSA-N -1 0 355.390 2.579 20 30 FFEDRM C=CCOC[C@H](NC(=O)C/C=C\c1ccc(Br)cc1)C(=O)[O-] ZINC001588854374 1080219118 /nfs/dbraw/zinc/21/91/18/1080219118.db2.gz YFPQNWPBEBNSAR-NQHOJNORSA-N -1 0 368.227 2.624 20 30 FFEDRM C=CCOCc1nnc(N2CCc3cccc(C(=O)[O-])c3C2)n1CC1CC1 ZINC001588868707 1080222856 /nfs/dbraw/zinc/22/28/56/1080222856.db2.gz RWVRWJIQTXLADW-UHFFFAOYSA-N -1 0 368.437 2.652 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001588873008 1080223667 /nfs/dbraw/zinc/22/36/67/1080223667.db2.gz ZDBWVJFKZFSNCQ-QGZVFWFLSA-N -1 0 361.419 2.862 20 30 FFEDRM C=CCOc1ccc(CC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001588874063 1080225812 /nfs/dbraw/zinc/22/58/12/1080225812.db2.gz UQVLSACMDZFLEV-UHFFFAOYSA-N -1 0 355.390 2.817 20 30 FFEDRM C=CCc1ccc(OCC(=O)NCc2ccc(C(=O)[O-])cc2F)c(OC)c1 ZINC001588885196 1080233904 /nfs/dbraw/zinc/23/39/04/1080233904.db2.gz GMNLSBNMFUYOCU-UHFFFAOYSA-N -1 0 373.380 2.956 20 30 FFEDRM C=CCn1c([C@@H]2CCCc3cccnc32)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588896957 1080245979 /nfs/dbraw/zinc/24/59/79/1080245979.db2.gz GQEWXSXOOBDDIB-FOIQADDNSA-N -1 0 367.453 2.628 20 30 FFEDRM C=CCn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588896969 1080246069 /nfs/dbraw/zinc/24/60/69/1080246069.db2.gz GUGXTVQQVLISKQ-CQSZACIVSA-N -1 0 359.474 2.884 20 30 FFEDRM C=CCn1c(Cc2cccc3cnccc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588904466 1080253087 /nfs/dbraw/zinc/25/30/87/1080253087.db2.gz SPSKZVXJDKRHKF-MRXNPFEDSA-N -1 0 363.421 2.514 20 30 FFEDRM C=CCn1c(S[C@@H](C)C(=O)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC001588904906 1080255343 /nfs/dbraw/zinc/25/53/43/1080255343.db2.gz HWMRWFYUMRINPT-VIFPVBQESA-N -1 0 351.815 2.919 20 30 FFEDRM C=CCn1ncc2ccc(NC(=O)NCc3cc(C(=O)[O-])c(C)n3C)cc21 ZINC001588912557 1080259828 /nfs/dbraw/zinc/25/98/28/1080259828.db2.gz KGUNZFNYKWCPKE-UHFFFAOYSA-N -1 0 367.409 2.889 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588916648 1080263131 /nfs/dbraw/zinc/26/31/31/1080263131.db2.gz XITLVXOEPXGGKF-OLZOCXBDSA-N -1 0 358.419 2.967 20 30 FFEDRM C[C@](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)(C(=O)[O-])c1ccccc1 ZINC001589043344 1080321192 /nfs/dbraw/zinc/32/11/92/1080321192.db2.gz HDMFNIZMYTZYBW-HXUWFJFHSA-N -1 0 366.392 2.888 20 30 FFEDRM CC(C)(C(=O)OCc1ccccc1-c1nn[nH]n1)c1cc(F)cc(C#N)c1 ZINC001589061532 1080332663 /nfs/dbraw/zinc/33/26/63/1080332663.db2.gz CLIHULDZTRYUGK-UHFFFAOYSA-N -1 0 365.368 2.898 20 30 FFEDRM 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517530915 /nfs/dbraw/zinc/53/09/15/517530915.db2.gz PQKLZENOTHRHRV-UHFFFAOYSA-N -1 0 373.821 2.864 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000560077272 517565763 /nfs/dbraw/zinc/56/57/63/517565763.db2.gz JKUPXKQAQRTYDI-INIZCTEOSA-N -1 0 372.427 2.877 20 30 FFEDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000546149066 517567013 /nfs/dbraw/zinc/56/70/13/517567013.db2.gz XIJWRMUHTNWEOA-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)c2cc(Cl)cc(F)c2Br)[n-]1 ZINC000560090594 517575197 /nfs/dbraw/zinc/57/51/97/517575197.db2.gz JWPAVSDYDJHYPM-UHFFFAOYSA-N -1 0 357.570 2.521 20 30 FFEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000527247104 517591987 /nfs/dbraw/zinc/59/19/87/517591987.db2.gz REPXVYSZTUNDEL-HNNXBMFYSA-N -1 0 358.419 2.721 20 30 FFEDRM CCN(C)C(=O)c1cccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000516481869 517704696 /nfs/dbraw/zinc/70/46/96/517704696.db2.gz TVSCLHGCJACWLE-UHFFFAOYSA-N -1 0 370.434 2.725 20 30 FFEDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)cc1C ZINC000530352029 517721775 /nfs/dbraw/zinc/72/17/75/517721775.db2.gz XADYLPXVLFFZAZ-UHFFFAOYSA-N -1 0 362.382 2.902 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000549912640 517775701 /nfs/dbraw/zinc/77/57/01/517775701.db2.gz XQXZNKNSFILFQK-SNVBAGLBSA-N -1 0 365.333 2.736 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000549912639 517776165 /nfs/dbraw/zinc/77/61/65/517776165.db2.gz XQXZNKNSFILFQK-JTQLQIEISA-N -1 0 365.333 2.736 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)cc1 ZINC000560421469 517788167 /nfs/dbraw/zinc/78/81/67/517788167.db2.gz MJPRCRIJQYMHOM-QGZVFWFLSA-N -1 0 362.451 2.506 20 30 FFEDRM N#Cc1cccc(S(=O)(=O)NCCC[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000517004943 517968196 /nfs/dbraw/zinc/96/81/96/517968196.db2.gz WHTXJBDCGKVOHR-KRWDZBQOSA-N -1 0 372.446 2.560 20 30 FFEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)c1 ZINC000539420912 518039772 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0 374.509 2.717 20 30 FFEDRM N#CC1(CNC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CC1 ZINC000569887343 518339620 /nfs/dbraw/zinc/33/96/20/518339620.db2.gz UFXGBSLDJROBNQ-UHFFFAOYSA-N -1 0 351.794 2.845 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C2CCC2)C2CCC2)s1 ZINC000569914175 518352167 /nfs/dbraw/zinc/35/21/67/518352167.db2.gz WOMICFPWRBWNDQ-HNNXBMFYSA-N -1 0 368.480 2.568 20 30 FFEDRM C=CCn1c(Cc2ccccc2OC)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000584557642 518395725 /nfs/dbraw/zinc/39/57/25/518395725.db2.gz HDSVVZSWFNPKIB-UHFFFAOYSA-N -1 0 352.442 2.579 20 30 FFEDRM CS(=O)(=O)CC[C@@H](Cc1cccc(-c2ccc(C#N)s2)c1)C(=O)[O-] ZINC000567250610 518430694 /nfs/dbraw/zinc/43/06/94/518430694.db2.gz QBBBBGRETKRZCU-AWEZNQCLSA-N -1 0 363.460 2.965 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)n(-c2ccccc2C)n1 ZINC000564560289 518503017 /nfs/dbraw/zinc/50/30/17/518503017.db2.gz AOQMWJBNNQHUAU-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM Cc1c(F)cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1C(=O)[O-] ZINC000573211085 518558078 /nfs/dbraw/zinc/55/80/78/518558078.db2.gz CHADICAHNNEFHL-AWEZNQCLSA-N -1 0 354.403 2.535 20 30 FFEDRM N#Cc1ccc(CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c(F)c1 ZINC000585698629 518565188 /nfs/dbraw/zinc/56/51/88/518565188.db2.gz HJOACYLDRIDHOD-UHFFFAOYSA-N -1 0 354.316 2.658 20 30 FFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000564701727 518570515 /nfs/dbraw/zinc/57/05/15/518570515.db2.gz OAXRCGVPASLDJF-UHFFFAOYSA-N -1 0 362.208 2.993 20 30 FFEDRM C=CC[C@@H](CC)NC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000579562049 518739628 /nfs/dbraw/zinc/73/96/28/518739628.db2.gz ZRWXBCUEQJQBKN-CQSZACIVSA-N -1 0 350.415 2.655 20 30 FFEDRM C=CCCCS(=O)(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000582702053 518879503 /nfs/dbraw/zinc/87/95/03/518879503.db2.gz COBKHZFPLHCFJO-ZDUSSCGKSA-N -1 0 366.266 2.875 20 30 FFEDRM CC1(C)CCCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@H]1C(=O)[O-] ZINC000579925385 518921038 /nfs/dbraw/zinc/92/10/38/518921038.db2.gz HGKZHFLYHPCPAV-AWEZNQCLSA-N -1 0 370.858 2.670 20 30 FFEDRM C=CCc1cc(CNC(=O)NC(CC)(CC)C(=O)[O-])cc(OC)c1OC ZINC000577258581 518991646 /nfs/dbraw/zinc/99/16/46/518991646.db2.gz DGFJEKDLZVPXIP-UHFFFAOYSA-N -1 0 364.442 2.875 20 30 FFEDRM N#C[C@]1(C(=O)NC2CCN(C(=O)c3ccccc3O)CC2)CC12CCCC2 ZINC000577348500 519033521 /nfs/dbraw/zinc/03/35/21/519033521.db2.gz FLPNJNHJGKILED-NRFANRHFSA-N -1 0 367.449 2.587 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cn1 ZINC000589589361 519036344 /nfs/dbraw/zinc/03/63/44/519036344.db2.gz YXGLKDDNIUVNHB-UHFFFAOYSA-N -1 0 357.313 2.781 20 30 FFEDRM CO[C@H](C)c1nc(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s[n-]1 ZINC000577425673 519073591 /nfs/dbraw/zinc/07/35/91/519073591.db2.gz LTDINKJMQNYCHY-YUELXQCFSA-N -1 0 371.466 2.971 20 30 FFEDRM COc1ccc([C@H](NC(=O)Nc2cccc(C#N)c2)C(=O)[O-])c(OC)c1 ZINC000565694193 519084387 /nfs/dbraw/zinc/08/43/87/519084387.db2.gz PZPIYYNASSWCCK-INIZCTEOSA-N -1 0 355.350 2.523 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)cc1C#N ZINC000589976741 519116579 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/nfs/dbraw/zinc/05/35/50/728053550.db2.gz FCEUANBZRMASSX-UHFFFAOYSA-N -1 0 359.432 2.822 20 30 FFEDRM COc1ccc2c(c1)OC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000050205078 728061643 /nfs/dbraw/zinc/06/16/43/728061643.db2.gz VYMVCODCCJVBPL-LBPRGKRZSA-N -1 0 365.382 2.731 20 30 FFEDRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)c1Cl ZINC000058051373 728113366 /nfs/dbraw/zinc/11/33/66/728113366.db2.gz YUMWRSMOQUREKU-UHFFFAOYSA-N -1 0 355.828 2.982 20 30 FFEDRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000065763535 728161867 /nfs/dbraw/zinc/16/18/67/728161867.db2.gz GHYYDFXJLGHHJV-UHFFFAOYSA-N -1 0 354.334 2.617 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)cc1C(F)(F)F ZINC000069571178 728199308 /nfs/dbraw/zinc/19/93/08/728199308.db2.gz XNJMXEZQQTXAMC-UHFFFAOYSA-N -1 0 360.357 2.962 20 30 FFEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCC2=O)c1 ZINC000073086897 728217466 /nfs/dbraw/zinc/21/74/66/728217466.db2.gz ORTWEPYLHUPZOB-INIZCTEOSA-N -1 0 352.456 2.596 20 30 FFEDRM C[C@@H](Oc1cccc(C=NN2C(=S)N=NC2c2ccco2)c1)C(=O)[O-] ZINC000746679206 735504543 /nfs/dbraw/zinc/50/45/43/735504543.db2.gz NWTJEZOCPUOMQG-SNVBAGLBSA-N -1 0 358.379 2.561 20 30 FFEDRM C[C@H]1CCCC[C@@H]1NC(=S)NN=Cc1cccc(OCCC(=O)[O-])c1 ZINC000746678593 735504806 /nfs/dbraw/zinc/50/48/06/735504806.db2.gz FJFJBFIGDKUEFR-BBRMVZONSA-N -1 0 363.483 2.917 20 30 FFEDRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000073838149 728227212 /nfs/dbraw/zinc/22/72/12/728227212.db2.gz VFYWIGFJVYWEKZ-QGZVFWFLSA-N -1 0 366.483 2.997 20 30 FFEDRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040573 728242996 /nfs/dbraw/zinc/24/29/96/728242996.db2.gz MVULEVIDNSKZMI-SECBINFHSA-N -1 0 350.234 2.828 20 30 FFEDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040576 728243046 /nfs/dbraw/zinc/24/30/46/728243046.db2.gz GMFDQXAEMAPHRP-ONGXEEELSA-N -1 0 362.245 2.828 20 30 FFEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)c1C ZINC000075799076 728251906 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2.780 20 30 FFEDRM C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077882410 728288390 /nfs/dbraw/zinc/28/83/90/728288390.db2.gz LOTLZBQPAAGLJB-KGLIPLIRSA-N -1 0 360.435 2.852 20 30 FFEDRM CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077881204 728288440 /nfs/dbraw/zinc/28/84/40/728288440.db2.gz LPGAPKFDASYSRC-UKRRQHHQSA-N -1 0 352.456 2.825 20 30 FFEDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000091868705 728463003 /nfs/dbraw/zinc/46/30/03/728463003.db2.gz KQJGWFXRJHBITK-UHFFFAOYSA-N -1 0 367.496 2.934 20 30 FFEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)c(-c2cccs2)n1 ZINC000091869514 728463482 /nfs/dbraw/zinc/46/34/82/728463482.db2.gz IGMYYZGKPRQTKD-UHFFFAOYSA-N -1 0 353.450 2.904 20 30 FFEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C(C)(C)C)cc1F ZINC000092316921 728466330 /nfs/dbraw/zinc/46/63/30/728466330.db2.gz AUEQGJSIRSGODP-UHFFFAOYSA-N -1 0 371.409 2.998 20 30 FFEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000107022893 728514514 /nfs/dbraw/zinc/51/45/14/728514514.db2.gz MLECSHYPRAJQKJ-UHFFFAOYSA-N -1 0 360.888 2.796 20 30 FFEDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000107022484 728514566 /nfs/dbraw/zinc/51/45/66/728514566.db2.gz XFNUNVOQCWULBA-UHFFFAOYSA-N -1 0 352.774 2.778 20 30 FFEDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000112761479 728548825 /nfs/dbraw/zinc/54/88/25/728548825.db2.gz MTGVAXSYQNVLQX-UHFFFAOYSA-N -1 0 352.456 2.599 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(F)cc1 ZINC000114989300 728563578 /nfs/dbraw/zinc/56/35/78/728563578.db2.gz BXNMHLRWHSVGMO-UHFFFAOYSA-N -1 0 360.410 2.789 20 30 FFEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000117538571 728578773 /nfs/dbraw/zinc/57/87/73/728578773.db2.gz PPWNLWNLQJCUGE-UHFFFAOYSA-N -1 0 366.483 2.528 20 30 FFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000121748766 728638433 /nfs/dbraw/zinc/63/84/33/728638433.db2.gz QNULXNBVSDCUDT-UHFFFAOYSA-N -1 0 355.341 2.842 20 30 FFEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(N(C)C)ccc3C#N)ccc2O1 ZINC000121773589 728638960 /nfs/dbraw/zinc/63/89/60/728638960.db2.gz SLVUTXGLGOONLK-GFCCVEGCSA-N -1 0 357.435 2.748 20 30 FFEDRM CCCS(=O)(=O)[N-]C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000123234981 728656475 /nfs/dbraw/zinc/65/64/75/728656475.db2.gz SOHQIVRTLAIKMR-UHFFFAOYSA-N -1 0 358.419 2.607 20 30 FFEDRM Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cnc1Cl ZINC000123986770 728665426 /nfs/dbraw/zinc/66/54/26/728665426.db2.gz ARLSHJWOQATGNZ-UHFFFAOYSA-N -1 0 350.831 2.782 20 30 FFEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000123992678 728665607 /nfs/dbraw/zinc/66/56/07/728665607.db2.gz XAZICLVJFFIJQI-UHFFFAOYSA-N -1 0 352.419 2.973 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000125420778 728683405 /nfs/dbraw/zinc/68/34/05/728683405.db2.gz PJCQRRFDDCCGBT-AWEZNQCLSA-N -1 0 356.344 2.959 20 30 FFEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000125604261 728685306 /nfs/dbraw/zinc/68/53/06/728685306.db2.gz WFZMCICOFPOOGE-UHFFFAOYSA-N -1 0 366.801 2.643 20 30 FFEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccn(-c2cccc(Cl)c2)n1 ZINC000125738505 728686977 /nfs/dbraw/zinc/68/69/77/728686977.db2.gz GQOFRVWPQVVENH-HNNXBMFYSA-N -1 0 356.813 2.907 20 30 FFEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)N2CCCC2)cs1 ZINC000126231046 728696418 /nfs/dbraw/zinc/69/64/18/728696418.db2.gz BJDRIQUIIJIDEC-ZDUSSCGKSA-N -1 0 355.419 2.764 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000130308959 728716744 /nfs/dbraw/zinc/71/67/44/728716744.db2.gz WQCSBXNBCDRUDJ-UHFFFAOYSA-N -1 0 369.305 2.869 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)NCC2C3CC4CC(C3)CC2C4)cc1C#N ZINC000135270721 728736970 /nfs/dbraw/zinc/73/69/70/728736970.db2.gz SIGINALKSOVQMF-UHFFFAOYSA-N -1 0 357.479 2.771 20 30 FFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1C#N ZINC000137681372 728740460 /nfs/dbraw/zinc/74/04/60/728740460.db2.gz ZRRUDNWQONLDBG-UHFFFAOYSA-N -1 0 352.213 2.825 20 30 FFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000172208828 729021971 /nfs/dbraw/zinc/02/19/71/729021971.db2.gz ANFVIWQVGQZCEY-CYBMUJFWSA-N -1 0 360.410 2.837 20 30 FFEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)cc1Cl ZINC000778726548 738407767 /nfs/dbraw/zinc/40/77/67/738407767.db2.gz ORKKCAHDZVMWFL-UHFFFAOYSA-N -1 0 352.774 2.611 20 30 FFEDRM C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000187085143 729372371 /nfs/dbraw/zinc/37/23/71/729372371.db2.gz YIUXBIKSMZDGGV-UHFFFAOYSA-N -1 0 364.354 2.855 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000193374903 729476558 /nfs/dbraw/zinc/47/65/58/729476558.db2.gz FOFAAMQDRSUBSO-GFCCVEGCSA-N -1 0 357.332 2.652 20 30 FFEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OCC(F)(F)F)cc2)C(=O)O1 ZINC000255168742 729633775 /nfs/dbraw/zinc/63/37/75/729633775.db2.gz RPWCCNXWXGHEOS-IJVDHGTGSA-N -1 0 354.280 2.856 20 30 FFEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000255729717 729646019 /nfs/dbraw/zinc/64/60/19/729646019.db2.gz HTKMZEULVVXKKZ-UHFFFAOYSA-N -1 0 366.826 2.580 20 30 FFEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000263119056 729679949 /nfs/dbraw/zinc/67/99/49/729679949.db2.gz CDMUUACVTGVNEC-BBRMVZONSA-N -1 0 361.467 2.544 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc(Cc3ccccc3)n2)c(Cl)c1 ZINC000432955574 729869848 /nfs/dbraw/zinc/86/98/48/729869848.db2.gz UKOKZKVXESIAGE-UHFFFAOYSA-N -1 0 374.809 2.986 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2ccccc2OC2CCC2)CCCC1 ZINC000779314152 738453951 /nfs/dbraw/zinc/45/39/51/738453951.db2.gz FULUQANNHOIWMC-UHFFFAOYSA-N -1 0 362.451 2.761 20 30 FFEDRM C[C@@H](OC1CCCCCC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000779314897 738454363 /nfs/dbraw/zinc/45/43/63/738454363.db2.gz AVMAEKCOKHIVKI-CQSZACIVSA-N -1 0 356.488 2.644 20 30 FFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1F ZINC000779319811 738455414 /nfs/dbraw/zinc/45/54/14/738455414.db2.gz NIGFOBFBLQKXPY-CYBMUJFWSA-N -1 0 352.431 2.849 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000779321144 738455783 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C=C(Cl)C[C@@H](NC(=O)CCCOc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000864182384 730828690 /nfs/dbraw/zinc/82/86/90/730828690.db2.gz MCJSFJZFDQRXPH-OAHLLOKOSA-N -1 0 353.802 2.760 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)CCCOc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000864182661 730828729 /nfs/dbraw/zinc/82/87/29/730828729.db2.gz CHHMTIGZGRRJSW-OAHLLOKOSA-N -1 0 353.802 2.760 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000864184063 730828843 /nfs/dbraw/zinc/82/88/43/730828843.db2.gz VRWZIUITMFMFAK-LLVKDONJSA-N -1 0 351.708 2.796 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)COc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000864185060 730829088 /nfs/dbraw/zinc/82/90/88/730829088.db2.gz SFVNQQRUJVYFNZ-JTQLQIEISA-N -1 0 351.708 2.796 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1ccc(CNC(=O)C=C(C)C)cc1)C(=O)[O-] ZINC000864184938 730829172 /nfs/dbraw/zinc/82/91/72/730829172.db2.gz UHGIPLFISOKTAW-OAHLLOKOSA-N -1 0 364.829 2.595 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)C(=O)[O-] ZINC000864186747 730829324 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ZINC001574489109 1078001498 /nfs/dbraw/zinc/00/14/98/1078001498.db2.gz GZPRIDOBOQEWPH-UONOGXRCSA-N -1 0 371.418 2.890 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cc2)nc1 ZINC001574488476 1078001683 /nfs/dbraw/zinc/00/16/83/1078001683.db2.gz PRGKMDUMEKILET-XBXGTLAGSA-N -1 0 352.350 2.730 20 30 FFEDRM C=CC[C@@H](CC)NS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001588735856 1079704926 /nfs/dbraw/zinc/70/49/26/1079704926.db2.gz MYXYMIIYNCPBCT-SSDOTTSWSA-N -1 0 368.274 2.842 20 30 FFEDRM C#C[C@H](NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001588372786 1079996687 /nfs/dbraw/zinc/99/66/87/1079996687.db2.gz SPOPYDNWBOTHLK-SCRDCRAPSA-N -1 0 372.318 2.795 20 30 FFEDRM C#C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001588372916 1079996696 /nfs/dbraw/zinc/99/66/96/1079996696.db2.gz VRGOZLAMGLJOGB-RDBSUJKOSA-N -1 0 354.328 2.656 20 30 FFEDRM C#CC1(NC(=O)C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCC1 ZINC001588376715 1079997878 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C=C(C)Cn1c(-c2ncc(CC)s2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588588852 1080112660 /nfs/dbraw/zinc/11/26/60/1080112660.db2.gz BFXNIDQHUNNSQM-QGZVFWFLSA-N -1 0 361.471 2.841 20 30 FFEDRM C=C(C)Cn1c(-c2n[nH]cc2C)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588588853 1080112891 /nfs/dbraw/zinc/11/28/91/1080112891.db2.gz BGKQIVKOBNIGSI-AWEZNQCLSA-N -1 0 372.473 2.880 20 30 FFEDRM C=C(C)Cn1c([C@H](C)SC)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588589415 1080113325 /nfs/dbraw/zinc/11/33/25/1080113325.db2.gz MOODZPMVHIVCJR-FPMFFAJLSA-N -1 0 350.488 2.825 20 30 FFEDRM C=C(C)Cn1c(-c2ncoc2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588589657 1080113544 /nfs/dbraw/zinc/11/35/44/1080113544.db2.gz RMTIZKZUDYLLMQ-AWEZNQCLSA-N -1 0 359.430 2.899 20 30 FFEDRM C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588597722 1080118409 /nfs/dbraw/zinc/11/84/09/1080118409.db2.gz JXOASHKMNBBCGX-UHFFFAOYSA-N -1 0 354.454 2.940 20 30 FFEDRM C=C(CC(C)C)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001588605309 1080121422 /nfs/dbraw/zinc/12/14/22/1080121422.db2.gz GYWTYQNKOWMVJE-RDYUPDBUSA-N -1 0 365.470 2.870 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC001588612806 1080122488 /nfs/dbraw/zinc/12/24/88/1080122488.db2.gz XJKDKDIQUBRZFX-HNNXBMFYSA-N -1 0 356.422 2.550 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC001588623812 1080126379 /nfs/dbraw/zinc/12/63/79/1080126379.db2.gz YDXANNZVWUQUDM-OAHLLOKOSA-N -1 0 368.836 2.981 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC001588630199 1080128649 /nfs/dbraw/zinc/12/86/49/1080128649.db2.gz UGXNEGQYMAHIPI-UHFFFAOYSA-N -1 0 372.215 2.504 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588633435 1080129862 /nfs/dbraw/zinc/12/98/62/1080129862.db2.gz MZANJAMBIWHAHK-UHFFFAOYSA-N -1 0 374.162 2.734 20 30 FFEDRM C=CCn1c(C)cc(C(=O)CN2CCc3ccc(-c4nn[nH]n4)cc32)c1C ZINC001588703101 1080161851 /nfs/dbraw/zinc/16/18/51/1080161851.db2.gz JYTDETDARBGFPJ-UHFFFAOYSA-N 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Cc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc(O)c1O ZINC001588781057 1080193066 /nfs/dbraw/zinc/19/30/66/1080193066.db2.gz ALDGLSJPMVRIBX-UHFFFAOYSA-N -1 0 357.374 2.534 20 30 FFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2[nH]c(-c3ccccc3)nc2C)o1 ZINC001588781938 1080193803 /nfs/dbraw/zinc/19/38/03/1080193803.db2.gz MKMPDNDDLGHNIN-UHFFFAOYSA-N -1 0 363.385 2.698 20 30 FFEDRM C=CCCC[C@H](NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588788999 1080196317 /nfs/dbraw/zinc/19/63/17/1080196317.db2.gz UPGGDSPUONQCFP-INIZCTEOSA-N -1 0 360.454 2.640 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@H]1c2ccccc2C(=O)OC12CCC2)C(=O)[O-] ZINC001588789820 1080196358 /nfs/dbraw/zinc/19/63/58/1080196358.db2.gz KLGIMNZMQZEVTD-HZPDHXFCSA-N -1 0 357.406 2.789 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001588794131 1080199807 /nfs/dbraw/zinc/19/98/07/1080199807.db2.gz MFYSNFJQFGUJCP-CQSZACIVSA-N -1 0 368.474 2.997 20 30 FFEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001588794429 1080199859 /nfs/dbraw/zinc/19/98/59/1080199859.db2.gz UJGSOJKWNJBMNT-KGLIPLIRSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588797724 1080200460 /nfs/dbraw/zinc/20/04/60/1080200460.db2.gz KBYMQODBNHNPDF-CYBMUJFWSA-N -1 0 365.373 2.934 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C)C(=O)[O-] ZINC001588797546 1080200892 /nfs/dbraw/zinc/20/08/92/1080200892.db2.gz IEEWMNMEFOSQEC-HNNXBMFYSA-N -1 0 357.410 2.933 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001588799013 1080202190 /nfs/dbraw/zinc/20/21/90/1080202190.db2.gz XXXVYLZWUOTPLD-NSHDSACASA-N -1 0 369.336 2.932 20 30 FFEDRM C=CCN(C(C)C)S(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC001588820526 1080207712 /nfs/dbraw/zinc/20/77/12/1080207712.db2.gz IMNYDCICECUYBH-UHFFFAOYSA-N -1 0 362.245 2.732 20 30 FFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC/C=C(/C)C(=O)[O-])cc1 ZINC001588825812 1080209155 /nfs/dbraw/zinc/20/91/55/1080209155.db2.gz ZGNKRUVQRWSNHS-UVTDQMKNSA-N -1 0 357.410 2.653 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588832826 1080211927 /nfs/dbraw/zinc/21/19/27/1080211927.db2.gz SBJOGZSFMFBZFV-DLBZAZTESA-N -1 0 367.467 2.656 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001588859506 1080220024 /nfs/dbraw/zinc/22/00/24/1080220024.db2.gz NVAGHOXNCYGOAQ-OAHLLOKOSA-N -1 0 361.419 2.713 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001588859364 1080220141 /nfs/dbraw/zinc/22/01/41/1080220141.db2.gz JJZOQMHGEOPEGX-NSHDSACASA-N -1 0 351.708 2.744 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1O)C(=O)[O-] ZINC001588859138 1080220677 /nfs/dbraw/zinc/22/06/77/1080220677.db2.gz AKLMLVNPDXPTMB-SFHVURJKSA-N -1 0 369.417 2.563 20 30 FFEDRM C=CCOCc1nnc(N2CCC(C(=O)[O-])CC2)n1CCc1ccccc1 ZINC001588868906 1080222368 /nfs/dbraw/zinc/22/23/68/1080222368.db2.gz ZDJICAHWBWRBRY-UHFFFAOYSA-N -1 0 370.453 2.524 20 30 FFEDRM C=CCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588869544 1080222531 /nfs/dbraw/zinc/22/25/31/1080222531.db2.gz KHKJHBSIJXIYIL-INIZCTEOSA-N -1 0 373.380 2.997 20 30 FFEDRM C=CCn1c(-c2ccc3cc[nH]c3c2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588889051 1080236512 /nfs/dbraw/zinc/23/65/12/1080236512.db2.gz JOLXVQGDPDPDNQ-GOSISDBHSA-N -1 0 355.373 2.615 20 30 FFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001588889196 1080237350 /nfs/dbraw/zinc/23/73/50/1080237350.db2.gz OGLNVJKDODGLFA-HZPDHXFCSA-N -1 0 363.421 2.764 20 30 FFEDRM C=CCn1c(-c2cscn2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588889763 1080237656 /nfs/dbraw/zinc/23/76/56/1080237656.db2.gz CZMLDILRPXCDNR-GFCCVEGCSA-N -1 0 361.471 2.915 20 30 FFEDRM C=CCn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588889382 1080237711 /nfs/dbraw/zinc/23/77/11/1080237711.db2.gz SJCZLGNHAFLJMW-GRDNDAEWSA-N -1 0 370.453 2.731 20 30 FFEDRM C=CCn1c([C@H](O)/C=C\CC)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588896242 1080246216 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351.200 2.504 20 30 FFEDRM C[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC001589392781 1080513107 /nfs/dbraw/zinc/51/31/07/1080513107.db2.gz MXRJWRVOXPJJAV-HOCLYGCPSA-N -1 0 366.421 2.647 20 30 FFEDRM C[C@@H](C(=O)[O-])N(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCC1 ZINC001589480165 1080554740 /nfs/dbraw/zinc/55/47/40/1080554740.db2.gz YODUACHJGSVOPL-AAEUAGOBSA-N -1 0 357.435 2.800 20 30 FFEDRM CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Oc1ccccc1C(F)(F)F ZINC001589519943 1080580447 /nfs/dbraw/zinc/58/04/47/1080580447.db2.gz XINNGFIBMFCEIN-MEDUHNTESA-N -1 0 372.343 2.984 20 30 FFEDRM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1CCc2ccccc21 ZINC001589547690 1080599478 /nfs/dbraw/zinc/59/94/78/1080599478.db2.gz RXTUIVORTKPFEN-CYBMUJFWSA-N -1 0 350.374 2.751 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cc1 ZINC001589558318 1080604230 /nfs/dbraw/zinc/60/42/30/1080604230.db2.gz OLQRHYKBJNCPAB-CGTJXYLNSA-N -1 0 370.449 2.972 20 30 FFEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCc2ccc(OCC#N)cc2)n1 ZINC001589655974 1080654582 /nfs/dbraw/zinc/65/45/82/1080654582.db2.gz GTYXMTNGOWKIFS-UHFFFAOYSA-N -1 0 374.422 2.729 20 30 FFEDRM C[C@@H](Oc1ccc(C=CC(=O)c2ccc(-c3nn[nH]n3)s2)cc1)C(=O)[O-] ZINC001590024085 1080950438 /nfs/dbraw/zinc/95/04/38/1080950438.db2.gz WTTRSPZJPNCOEL-ISGFRBBESA-N -1 0 370.390 2.676 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001590125295 1081032855 /nfs/dbraw/zinc/03/28/55/1081032855.db2.gz VIZTUCPBRPTZJI-CHWSQXEVSA-N -1 0 369.462 2.579 20 30 FFEDRM N#Cc1c(N2CCC(C(=O)Nc3ccccc3O)CC2)nc2ccccn21 ZINC000272893630 252159371 /nfs/dbraw/zinc/15/93/71/252159371.db2.gz KIJOXTWFZCKLNP-UHFFFAOYSA-N -1 0 361.405 2.767 20 30 FFEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1F ZINC000055586636 221072844 /nfs/dbraw/zinc/07/28/44/221072844.db2.gz JADUWQOMMMFBGZ-UHFFFAOYSA-N -1 0 371.397 2.575 20 30 FFEDRM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290406138 257330276 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CCC[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@H]1C(=O)[O-] ZINC000562967369 517540699 /nfs/dbraw/zinc/54/06/99/517540699.db2.gz DOKYWRHIMMYYGJ-IUODEOHRSA-N -1 0 370.858 2.670 20 30 FFEDRM Cc1nc(SCC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C#N)c(C)c1C ZINC000516065380 517553385 /nfs/dbraw/zinc/55/33/85/517553385.db2.gz JCSZVIUAJKHULT-MEBBXXQBSA-N -1 0 361.467 2.540 20 30 FFEDRM CO[C@H](CS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N)c1ccc(F)cc1 ZINC000530135812 517584168 /nfs/dbraw/zinc/58/41/68/517584168.db2.gz YVTFVSBIBXIUKG-OAHLLOKOSA-N -1 0 366.418 2.604 20 30 FFEDRM CCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000530157665 517599650 /nfs/dbraw/zinc/59/96/50/517599650.db2.gz HFPAURQELKIARC-UHFFFAOYSA-N -1 0 358.345 2.903 20 30 FFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(F)c1 ZINC000530284830 517681190 /nfs/dbraw/zinc/68/11/90/517681190.db2.gz QEKJJQWTKZKFPW-UHFFFAOYSA-N -1 0 368.773 2.938 20 30 FFEDRM CC1(C#N)CN(C(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)C1 ZINC000560338497 517711683 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FFEDRM N#Cc1cnn(-c2ccccc2NC(=O)c2cc(F)c(F)c([O-])c2F)c1N ZINC000588839175 518845171 /nfs/dbraw/zinc/84/51/71/518845171.db2.gz WGVGBEJJWGHTPV-UHFFFAOYSA-N -1 0 373.294 2.701 20 30 FFEDRM CC1CCN(Cc2csc([N-]S(=O)(=O)c3ccc(C#N)o3)n2)CC1 ZINC000576977495 518857652 /nfs/dbraw/zinc/85/76/52/518857652.db2.gz REBQKDKIFBYQGB-UHFFFAOYSA-N -1 0 366.468 2.640 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1-c1ccc(C)cc1 ZINC000579901290 518906094 /nfs/dbraw/zinc/90/60/94/518906094.db2.gz IRFJADXIHJRHSW-UHFFFAOYSA-N -1 0 353.407 2.557 20 30 FFEDRM CC1(C)CCCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H]1C(=O)[O-] ZINC000579925386 518920903 /nfs/dbraw/zinc/92/09/03/518920903.db2.gz HGKZHFLYHPCPAV-CQSZACIVSA-N -1 0 370.858 2.670 20 30 FFEDRM N#CC1(CS(=O)(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC000583011756 519033144 /nfs/dbraw/zinc/03/31/44/519033144.db2.gz QMFSNRNUSDGBMG-JKSUJKDBSA-N -1 0 362.451 2.693 20 30 FFEDRM CO[C@H](C)c1nc(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s[n-]1 ZINC000577425670 519073581 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FFEDRM Cn1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(-c2ccncc2)n1 ZINC000255395758 965041309 /nfs/dbraw/zinc/04/13/09/965041309.db2.gz JETCPNZTGNRNEL-ARJAWSKDSA-N -1 0 350.334 2.992 20 30 FFEDRM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000728508139 966833690 /nfs/dbraw/zinc/83/36/90/966833690.db2.gz GWKANUAMBUJXPM-UHFFFAOYSA-N -1 0 373.430 2.655 20 30 FFEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CCCC2 ZINC000873934625 1013698929 /nfs/dbraw/zinc/69/89/29/1013698929.db2.gz PFHJDINHOIMVNJ-AWEZNQCLSA-N -1 0 368.437 2.620 20 30 FFEDRM C#CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc3sccc3c1O)CC2 ZINC001271026707 967976287 /nfs/dbraw/zinc/97/62/87/967976287.db2.gz OFYINUTWSNMVOF-OAHLLOKOSA-N -1 0 368.458 2.599 20 30 FFEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1-c1cccc2cnccc21 ZINC000176828654 968015617 /nfs/dbraw/zinc/01/56/17/968015617.db2.gz LVUYIWVAOCTIAI-UHFFFAOYSA-N -1 0 370.372 2.954 20 30 FFEDRM CCCCOc1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1OCC ZINC000255911960 969637226 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Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c1C ZINC001605340703 973230790 /nfs/dbraw/zinc/23/07/90/973230790.db2.gz NVFLJQZFFMAXBJ-HNAYVOBHSA-N -1 0 357.454 2.735 20 30 FFEDRM N#CCC1(CNS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000404145085 973705558 /nfs/dbraw/zinc/70/55/58/973705558.db2.gz HSCFBUBJHYLTPO-UHFFFAOYSA-N -1 0 350.421 2.572 20 30 FFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001604610417 973720855 /nfs/dbraw/zinc/72/08/55/973720855.db2.gz MLUUWEDSLXNQMA-VQHVLOKHSA-N -1 0 354.362 2.538 20 30 FFEDRM N#CCCN(Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1ccccn1 ZINC001605586099 973881032 /nfs/dbraw/zinc/88/10/32/973881032.db2.gz QHRLLSXHELSMEB-INIZCTEOSA-N -1 0 368.437 2.891 20 30 FFEDRM N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCCCC(=O)[O-] ZINC001605592144 973895057 /nfs/dbraw/zinc/89/50/57/973895057.db2.gz XZTUVNDFNMWYGG-UHFFFAOYSA-N -1 0 356.407 2.745 20 30 FFEDRM COc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000127194105 974074252 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CC(C)(C#N)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001573647183 1077762083 /nfs/dbraw/zinc/76/20/83/1077762083.db2.gz QMTLLZCWLUVCOJ-UHFFFAOYSA-N -1 0 358.419 2.664 20 30 FFEDRM CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001573875002 1077830686 /nfs/dbraw/zinc/83/06/86/1077830686.db2.gz BTJCLUPAGDPYMD-HNNXBMFYSA-N -1 0 368.437 2.699 20 30 FFEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001574177041 1077916129 /nfs/dbraw/zinc/91/61/29/1077916129.db2.gz FOYAMVRUOXCARB-IBGZPJMESA-N -1 0 368.389 2.668 20 30 FFEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001574486402 1078000734 /nfs/dbraw/zinc/00/07/34/1078000734.db2.gz WTBLFHLPUSCIKS-UHFFFAOYSA-N -1 0 367.752 2.743 20 30 FFEDRM CC(C)[C@H](F)C(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001586318531 1079600321 /nfs/dbraw/zinc/60/03/21/1079600321.db2.gz OWNRXVZMKHTJPU-CIUDSAMLSA-N -1 0 366.277 2.581 20 30 FFEDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]Oc1cccc(C#N)c1 ZINC001587205422 1079753632 /nfs/dbraw/zinc/75/36/32/1079753632.db2.gz SJYSLOMDGDDIII-SNVBAGLBSA-N -1 0 361.741 2.997 20 30 FFEDRM C#C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001588371924 1079995394 /nfs/dbraw/zinc/99/53/94/1079995394.db2.gz AEJJCKRNPDMIRL-QGZVFWFLSA-N -1 0 352.390 2.610 20 30 FFEDRM C#C[C@H](NC(=O)N1CCSC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588371925 1079995436 /nfs/dbraw/zinc/99/54/36/1079995436.db2.gz AFBKLDCSFMEITN-HZMBPMFUSA-N -1 0 370.833 2.613 20 30 FFEDRM C#C[C@H](NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588373091 1079996592 /nfs/dbraw/zinc/99/65/92/1079996592.db2.gz ZRTVYAPARKUWQR-ZDUSSCGKSA-N -1 0 374.755 2.607 20 30 FFEDRM C#C[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588377921 1079998759 /nfs/dbraw/zinc/99/87/59/1079998759.db2.gz SIZDWEYPYLUGDZ-INIZCTEOSA-N -1 0 363.822 2.832 20 30 FFEDRM C#CCC(CC#C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001588390190 1080001207 /nfs/dbraw/zinc/00/12/07/1080001207.db2.gz NOIABQMAHCWQTQ-OAHLLOKOSA-N -1 0 367.323 2.880 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC001588408925 1080011968 /nfs/dbraw/zinc/01/19/68/1080011968.db2.gz MQTUMZOQANFCQU-UHFFFAOYSA-N -1 0 370.380 2.634 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC001588411008 1080013532 /nfs/dbraw/zinc/01/35/32/1080013532.db2.gz DQWAOQFEJXMTCF-UHFFFAOYSA-N -1 0 372.400 2.861 20 30 FFEDRM C#CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC001588413925 1080017154 /nfs/dbraw/zinc/01/71/54/1080017154.db2.gz DOSWLYFSFVFUBP-MRXNPFEDSA-N -1 0 365.389 2.845 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C ZINC001588418568 1080021502 /nfs/dbraw/zinc/02/15/02/1080021502.db2.gz MJNBDXYUMIJEGX-UHFFFAOYSA-N -1 0 374.393 2.608 20 30 FFEDRM C#CCC1(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CCCCC1 ZINC001588427659 1080024103 /nfs/dbraw/zinc/02/41/03/1080024103.db2.gz HTCQLAWNDWPIIR-CQSZACIVSA-N -1 0 366.458 2.587 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001588465541 1080036566 /nfs/dbraw/zinc/03/65/66/1080036566.db2.gz RRHQYZHMEFHDKK-QGZVFWFLSA-N -1 0 367.405 2.858 20 30 FFEDRM C=CCOc1ccc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)cc1 ZINC001588469637 1080038875 /nfs/dbraw/zinc/03/88/75/1080038875.db2.gz QHEUSDDUGDETLU-GOSISDBHSA-N -1 0 366.373 2.876 20 30 FFEDRM C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588470345 1080040065 /nfs/dbraw/zinc/04/00/65/1080040065.db2.gz JZQGZWJQQSTOPT-ZDUSSCGKSA-N -1 0 351.410 2.534 20 30 FFEDRM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001588478816 1080044392 /nfs/dbraw/zinc/04/43/92/1080044392.db2.gz XPCBVPCXCIEHMD-BFLSOPEQSA-N -1 0 351.424 2.998 20 30 FFEDRM C#CCOc1ccccc1CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001588504351 1080061400 /nfs/dbraw/zinc/06/14/00/1080061400.db2.gz RUPGFZUQDWXBGI-UHFFFAOYSA-N -1 0 360.316 2.997 20 30 FFEDRM C#Cc1cccc(N(C)C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)c1 ZINC001588522230 1080074500 /nfs/dbraw/zinc/07/45/00/1080074500.db2.gz KJKBEYOVAHXXTQ-UHFFFAOYSA-N -1 0 361.361 2.615 20 30 FFEDRM C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001588523636 1080076575 /nfs/dbraw/zinc/07/65/75/1080076575.db2.gz PVWIIKWWPMLFKX-UHFFFAOYSA-N -1 0 365.389 2.689 20 30 FFEDRM C=C(C)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)c(F)c1 ZINC001588534635 1080083946 /nfs/dbraw/zinc/08/39/46/1080083946.db2.gz HSBGMIAAMWJUSX-CQSZACIVSA-N -1 0 359.394 2.756 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1)C(=O)[O-] ZINC001588542734 1080087290 /nfs/dbraw/zinc/08/72/90/1080087290.db2.gz PCSIVRICHRJOGR-LJQANCHMSA-N -1 0 368.433 2.985 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1ccc(-c2ccccc2OC)[nH]c1=O)C(=O)[O-] ZINC001588546473 1080089470 /nfs/dbraw/zinc/08/94/70/1080089470.db2.gz LZKPITPSQDHTLB-HNNXBMFYSA-N -1 0 356.378 2.612 20 30 FFEDRM C=C(C)C[C@H](NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C)C(=O)[O-] ZINC001588547861 1080089989 /nfs/dbraw/zinc/08/99/89/1080089989.db2.gz OLCZJYCAOROECO-JTQLQIEISA-N -1 0 369.443 2.948 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[C@](OC)(C(=O)[O-])C1 ZINC001588578869 1080107139 /nfs/dbraw/zinc/10/71/39/1080107139.db2.gz PVAAZJQISNFJLC-LJQANCHMSA-N -1 0 356.426 2.510 20 30 FFEDRM C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588579356 1080107209 /nfs/dbraw/zinc/10/72/09/1080107209.db2.gz ZMTQUXGZXIFMCB-IBGZPJMESA-N -1 0 356.426 2.831 20 30 FFEDRM C=C(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588579230 1080107509 /nfs/dbraw/zinc/10/75/09/1080107509.db2.gz WYIOPYVLFRUHBO-SFHVURJKSA-N -1 0 355.398 2.677 20 30 FFEDRM C=CCCC1(CNC(=O)NCc2nc(-c3nn[nH]n3)cs2)CCCC1 ZINC001588579600 1080107527 /nfs/dbraw/zinc/10/75/27/1080107527.db2.gz PQTAQAHAVSEPBJ-UHFFFAOYSA-N -1 0 361.475 2.649 20 30 FFEDRM C=C(C)Cn1c(-c2cccc(=O)[nH]2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588579257 1080107559 /nfs/dbraw/zinc/10/75/59/1080107559.db2.gz XPYGBCZLSUTCFK-UHFFFAOYSA-N -1 0 371.441 2.703 20 30 FFEDRM C=C(C)Cn1c([C@H](O)C(C)C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588589310 1080113837 /nfs/dbraw/zinc/11/38/37/1080113837.db2.gz MAYMRBQQUGUUOR-MRXNPFEDSA-N -1 0 350.463 2.625 20 30 FFEDRM C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588591651 1080114543 /nfs/dbraw/zinc/11/45/43/1080114543.db2.gz LDAZYFBWQAHSLH-RDJZCZTQSA-N -1 0 363.421 2.742 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(=O)NC(CC)CC)Oc2ccccc21 ZINC001588612613 1080121519 /nfs/dbraw/zinc/12/15/19/1080121519.db2.gz UFJCPGGNDCLSNL-QGZVFWFLSA-N -1 0 374.437 2.506 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(CC)Cc1cc(Br)ccc1O ZINC001588612050 1080121792 /nfs/dbraw/zinc/12/17/92/1080121792.db2.gz GXSVFAWUCZXIQV-UHFFFAOYSA-N -1 0 356.216 2.924 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001588614914 1080122803 /nfs/dbraw/zinc/12/28/03/1080122803.db2.gz DRXKWBLPAXDBQI-OAHLLOKOSA-N -1 0 370.405 2.575 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC001588619353 1080124180 /nfs/dbraw/zinc/12/41/80/1080124180.db2.gz RAKIHZWRADRIAP-KXBFYZLASA-N -1 0 361.438 2.849 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001588623442 1080124817 /nfs/dbraw/zinc/12/48/17/1080124817.db2.gz QCADZTOHOIYIQY-AWEZNQCLSA-N -1 0 366.458 2.846 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc(NC(=O)c2ccccc2)c1 ZINC001588629608 1080128717 /nfs/dbraw/zinc/12/87/17/1080128717.db2.gz GAUMMCGUIGXXCS-UHFFFAOYSA-N -1 0 352.390 2.976 20 30 FFEDRM C=C(CCC(=O)OC)C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001588633011 1080129728 /nfs/dbraw/zinc/12/97/28/1080129728.db2.gz GBIBXBWUXPGDPP-RDJZCZTQSA-N -1 0 359.422 2.575 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 ZINC001588634051 1080129851 /nfs/dbraw/zinc/12/98/51/1080129851.db2.gz VPJFPDYRWXSSQP-UHFFFAOYSA-N -1 0 374.418 2.885 20 30 FFEDRM C=C(Cl)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588643948 1080135851 /nfs/dbraw/zinc/13/58/51/1080135851.db2.gz ZHCZIMZEMDTNFL-GFCCVEGCSA-N -1 0 362.817 2.617 20 30 FFEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)Cc1ccc(Br)cc1C#N ZINC001588652466 1080141833 /nfs/dbraw/zinc/14/18/33/1080141833.db2.gz CLVVSSRSKAFNLJ-UHFFFAOYSA-N -1 0 367.243 2.823 20 30 FFEDRM C=CC(C)(C)Cc1nnc(N2CC[C@H](C(=O)[O-])C2)n1C[C@H]1CCCCO1 ZINC001588680727 1080151994 /nfs/dbraw/zinc/15/19/94/1080151994.db2.gz GHYDDFYVWIYRSJ-LSDHHAIUSA-N -1 0 362.474 2.513 20 30 FFEDRM C=CC(C)(C)CNS(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588681596 1080152385 /nfs/dbraw/zinc/15/23/85/1080152385.db2.gz ZZGFLSLJSRBTKC-UHFFFAOYSA-N -1 0 362.245 2.638 20 30 FFEDRM C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC001588718517 1080169362 /nfs/dbraw/zinc/16/93/62/1080169362.db2.gz CGOHCWUNJOJVID-LLVKDONJSA-N -1 0 374.256 2.877 20 30 FFEDRM C=CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001588745325 1080178617 /nfs/dbraw/zinc/17/86/17/1080178617.db2.gz YBXGKWWHDIZETP-VIFPVBQESA-N -1 0 357.204 2.514 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588771684 1080187805 /nfs/dbraw/zinc/18/78/05/1080187805.db2.gz XRIYPIRHIWISQB-PWSUYJOCSA-N -1 0 366.364 2.853 20 30 FFEDRM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588770962 1080188612 /nfs/dbraw/zinc/18/86/12/1080188612.db2.gz KNPPKNMLYCFZCA-CZUORRHYSA-N -1 0 367.467 2.944 20 30 FFEDRM CC(C)(CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001588775443 1080190488 /nfs/dbraw/zinc/19/04/88/1080190488.db2.gz IYCGWHNXWQXACE-UHFFFAOYSA-N -1 0 356.378 2.961 20 30 FFEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588781899 1080193534 /nfs/dbraw/zinc/19/35/34/1080193534.db2.gz KXFKBUOKBYEULQ-OAHLLOKOSA-N -1 0 353.440 2.651 20 30 FFEDRM C=CCCC[C@H](NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588789693 1080196541 /nfs/dbraw/zinc/19/65/41/1080196541.db2.gz HZWWAXWASIXEAF-RUXDESIVSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC001588790235 1080197955 /nfs/dbraw/zinc/19/79/55/1080197955.db2.gz UBPHFJCLWLPCNL-SJJHQCBESA-N -1 0 353.459 2.667 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588792923 1080198684 /nfs/dbraw/zinc/19/86/84/1080198684.db2.gz QDCJUVGJSGIKOL-GFCCVEGCSA-N -1 0 371.187 2.897 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cc(Br)cc(F)c1N)C(=O)[O-] ZINC001588793091 1080198761 /nfs/dbraw/zinc/19/87/61/1080198761.db2.gz SDUWWVXJVZFHEH-LLVKDONJSA-N -1 0 359.195 2.710 20 30 FFEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001588799957 1080202165 /nfs/dbraw/zinc/20/21/65/1080202165.db2.gz SBIJTLCWTJKDNT-UHFFFAOYSA-N -1 0 354.353 2.806 20 30 FFEDRM C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805774 1080203828 /nfs/dbraw/zinc/20/38/28/1080203828.db2.gz NRKGKRDNMLJMPZ-OAHLLOKOSA-N -1 0 355.442 2.916 20 30 FFEDRM C=CCN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001588824034 1080208420 /nfs/dbraw/zinc/20/84/20/1080208420.db2.gz MCUUTBHAQVHESD-UHFFFAOYSA-N -1 0 355.419 2.945 20 30 FFEDRM C=CCN(CCc1ccccc1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001588828595 1080209384 /nfs/dbraw/zinc/20/93/84/1080209384.db2.gz CGNVNDQRZDTHNS-UHFFFAOYSA-N -1 0 354.410 2.790 20 30 FFEDRM C=CCN(CCc1ccco1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001588829129 1080209619 /nfs/dbraw/zinc/20/96/19/1080209619.db2.gz DLLHIOILOWQNHS-UHFFFAOYSA-N -1 0 358.394 2.797 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001588832630 1080211837 /nfs/dbraw/zinc/21/18/37/1080211837.db2.gz LSXWDKKWOUZGGT-UHFFFAOYSA-N -1 0 361.401 2.858 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001588831808 1080212119 /nfs/dbraw/zinc/21/21/19/1080212119.db2.gz QSIVFQRDEYZTJE-UHFFFAOYSA-N -1 0 374.418 2.608 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001588843675 1080214899 /nfs/dbraw/zinc/21/48/99/1080214899.db2.gz FGPPMMISXNVBIK-CVEARBPZSA-N -1 0 359.426 2.757 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2s1)C(=O)[O-] ZINC001588850858 1080217218 /nfs/dbraw/zinc/21/72/18/1080217218.db2.gz HZXBKOFLWMRPAG-JQWIXIFHSA-N -1 0 366.464 2.549 20 30 FFEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC001588859539 1080220126 /nfs/dbraw/zinc/22/01/26/1080220126.db2.gz PJWULYDMYUBKPD-GFCCVEGCSA-N -1 0 372.402 2.942 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1ccccc1CCc1ccccc1)C(=O)[O-] ZINC001588861180 1080221218 /nfs/dbraw/zinc/22/12/18/1080221218.db2.gz BXCAVPUTCCOOBW-IBGZPJMESA-N -1 0 353.418 2.857 20 30 FFEDRM C=CCOc1ccccc1CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588877494 1080228740 /nfs/dbraw/zinc/22/87/40/1080228740.db2.gz UAUCJOCBNOLDIJ-UHFFFAOYSA-N -1 0 367.467 2.706 20 30 FFEDRM C=CCSc1ccccc1NC(=O)Cn1nc(C(=O)[O-])nc1Cl ZINC001588882550 1080230843 /nfs/dbraw/zinc/23/08/43/1080230843.db2.gz YHRSIARTCVBOQA-UHFFFAOYSA-N -1 0 352.803 2.547 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cn(C2CCC2)nn1 ZINC001588885464 1080234255 /nfs/dbraw/zinc/23/42/55/1080234255.db2.gz SAMIONMPGOYXGF-UHFFFAOYSA-N -1 0 357.366 2.658 20 30 FFEDRM C=CCc1ccc(OCC(=O)NCCc2ccccc2C(=O)[O-])c(OC)c1 ZINC001588885821 1080234277 /nfs/dbraw/zinc/23/42/77/1080234277.db2.gz XCMIGMKHKNBUHZ-UHFFFAOYSA-N -1 0 369.417 2.860 20 30 FFEDRM C=CCn1c(-c2cc(OC)ccn2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588889559 1080237544 /nfs/dbraw/zinc/23/75/44/1080237544.db2.gz XKRBIDSWSKLCMC-CQSZACIVSA-N -1 0 371.441 2.616 20 30 FFEDRM C=CCn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588890110 1080238214 /nfs/dbraw/zinc/23/82/14/1080238214.db2.gz OUIRGUKVHQSFJD-GOSISDBHSA-N -1 0 369.381 2.680 20 30 FFEDRM C=CCn1c([C@H](C)[C@@H](O)CC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588896028 1080245103 /nfs/dbraw/zinc/24/51/03/1080245103.db2.gz PNTLKFSYBNQAQC-DYVFJYSZSA-N -1 0 370.453 2.599 20 30 FFEDRM C=CCn1c([C@H](C)c2ccsc2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588896842 1080246701 /nfs/dbraw/zinc/24/67/01/1080246701.db2.gz UUKOFXLGNMRMET-BZNIZROVSA-N -1 0 350.419 2.680 20 30 FFEDRM C=CCn1c(COc2ccccc2F)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588900754 1080248387 /nfs/dbraw/zinc/24/83/87/1080248387.db2.gz NDKHMNOVRYGZKH-IBGZPJMESA-N -1 0 374.416 2.873 20 30 FFEDRM C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588900942 1080249101 /nfs/dbraw/zinc/24/91/01/1080249101.db2.gz PAHKTOGNJRHAJK-HNNXBMFYSA-N -1 0 356.426 2.571 20 30 FFEDRM C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588904427 1080253247 /nfs/dbraw/zinc/25/32/47/1080253247.db2.gz RKTBZIULCJGOIZ-MRXNPFEDSA-N -1 0 355.442 2.531 20 30 FFEDRM C=CCn1c(Cc2ccccc2)nnc1Sc1cnc(C(=O)[O-])cn1 ZINC001588904164 1080253340 /nfs/dbraw/zinc/25/33/40/1080253340.db2.gz JJELRNGVOKXMKD-UHFFFAOYSA-N -1 0 353.407 2.694 20 30 FFEDRM C=CCn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1C(F)(F)c1ccccc1 ZINC001588904574 1080253391 /nfs/dbraw/zinc/25/33/91/1080253391.db2.gz WJYLAUSBZOWMOP-MRXNPFEDSA-N -1 0 366.343 2.607 20 30 FFEDRM CC(=NOCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017670 1080307720 /nfs/dbraw/zinc/30/77/20/1080307720.db2.gz YUSWTIAEPQLRIE-ZIAGYGMSSA-N -1 0 362.426 2.680 20 30 FFEDRM CC(=NOCC(=O)N(C)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589017470 1080307999 /nfs/dbraw/zinc/30/79/99/1080307999.db2.gz SARJSQVEYLEVKE-UHFFFAOYSA-N -1 0 356.378 2.554 20 30 FFEDRM C[C@](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039623 1080318296 /nfs/dbraw/zinc/31/82/96/1080318296.db2.gz PSYPYWXXTJLNJI-FNUUXAGOSA-N -1 0 355.365 2.567 20 30 FFEDRM C[C@](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039628 1080319024 /nfs/dbraw/zinc/31/90/24/1080319024.db2.gz PSYPYWXXTJLNJI-RGFVMQALSA-N -1 0 355.365 2.567 20 30 FFEDRM C[C@@](CNC(=O)NCc1ccc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001589055103 1080328724 /nfs/dbraw/zinc/32/87/24/1080328724.db2.gz OUBCHQRDOHNTMH-IBGZPJMESA-N -1 0 355.369 2.539 20 30 FFEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC001589280220 1080462331 /nfs/dbraw/zinc/46/23/31/1080462331.db2.gz XFIOFFPIAUJKEG-CZUORRHYSA-N -1 0 368.389 2.913 20 30 FFEDRM C[C@H]1CCc2nc(NC(=O)c3cccc(OCC(=O)[O-])c3)c(C#N)cc2C1 ZINC001589364917 1080504318 /nfs/dbraw/zinc/50/43/18/1080504318.db2.gz CYSMMCIUGGNION-LBPRGKRZSA-N -1 0 365.389 2.794 20 30 FFEDRM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001589463702 1080545539 /nfs/dbraw/zinc/54/55/39/1080545539.db2.gz JVJLPCNSCDMDSO-FZMZJTMJSA-N -1 0 366.377 2.649 20 30 FFEDRM CC(C)(C#N)c1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001589560504 1080605838 /nfs/dbraw/zinc/60/58/38/1080605838.db2.gz FONIYXUZGXQKOI-UHFFFAOYSA-N -1 0 374.418 2.752 20 30 FFEDRM CCCc1c(NC(=O)[C@@H](C(=O)[O-])C2CC2)cnn1-c1cccc(C#N)c1 ZINC001589688447 1080671251 /nfs/dbraw/zinc/67/12/51/1080671251.db2.gz NEMQYIZWTNGVIJ-KRWDZBQOSA-N -1 0 352.394 2.746 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2c[nH]c(Br)c2)o1 ZINC001589773448 1080729089 /nfs/dbraw/zinc/72/90/89/1080729089.db2.gz CRIHVBWGNVTTGL-UHFFFAOYSA-N -1 0 365.195 2.515 20 30 FFEDRM C[C@H](Nc1cnc(C#N)c(-c2nnn[n-]2)n1)c1ccc(-c2ccncc2)cc1 ZINC001589987914 1080923830 /nfs/dbraw/zinc/92/38/30/1080923830.db2.gz UHGVNVOFYSTELL-LBPRGKRZSA-N -1 0 369.392 2.763 20 30 FFEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000278403796 256308785 /nfs/dbraw/zinc/30/87/85/256308785.db2.gz USYWACQMUFRCII-UHFFFAOYSA-N -1 0 352.803 2.622 20 30 FFEDRM COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000288169724 257155901 /nfs/dbraw/zinc/15/59/01/257155901.db2.gz DJEIRSJNYJLYFS-UHFFFAOYSA-N -1 0 364.345 2.518 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)o1 ZINC000288595298 257210352 /nfs/dbraw/zinc/21/03/52/257210352.db2.gz NILPITLUJLHGAQ-UHFFFAOYSA-N -1 0 371.340 2.830 20 30 FFEDRM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)o2)nc1C(C)C ZINC000288603230 257210702 /nfs/dbraw/zinc/21/07/02/257210702.db2.gz OHOKFFIGHARIEP-UHFFFAOYSA-N -1 0 369.424 2.709 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000326035222 258115727 /nfs/dbraw/zinc/11/57/27/258115727.db2.gz ABVQAISFDCKCRW-GFCCVEGCSA-N -1 0 362.794 2.589 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000327864205 258116086 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Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055639863 506809845 /nfs/dbraw/zinc/80/98/45/506809845.db2.gz NSUNYMDKJQCIIZ-UHFFFAOYSA-N -1 0 368.846 2.865 20 30 FFEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057125734 507179327 /nfs/dbraw/zinc/17/93/27/507179327.db2.gz MZJGQBHKPIMNQV-UHFFFAOYSA-N -1 0 361.379 2.974 20 30 FFEDRM CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000048480995 507527475 /nfs/dbraw/zinc/52/74/75/507527475.db2.gz AUNQMNKQTQKFFJ-LLVKDONJSA-N -1 0 365.238 2.514 20 30 FFEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000069677557 507532089 /nfs/dbraw/zinc/53/20/89/507532089.db2.gz XBMPBGQNLOBEDL-UHFFFAOYSA-N -1 0 353.350 2.843 20 30 FFEDRM CC(C)Oc1ccc(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[n-]n1 ZINC000375490115 512358120 /nfs/dbraw/zinc/35/81/20/512358120.db2.gz GZYSPADCCXIMEU-SJORKVTESA-N -1 0 365.437 2.989 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC2CC2)cc1 ZINC000073769823 507953663 /nfs/dbraw/zinc/95/36/63/507953663.db2.gz QNWRSWHVZXUSPQ-UHFFFAOYSA-N -1 0 356.407 2.643 20 30 FFEDRM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1nnc2n1CCCCC2 ZINC000073972704 507972637 /nfs/dbraw/zinc/97/26/37/507972637.db2.gz OYAWCAIIEYDIPL-CYBMUJFWSA-N -1 0 364.384 2.819 20 30 FFEDRM CCC1(CC)[C@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)[C@@H](C)[C@@H]1OC ZINC000092773612 508100482 /nfs/dbraw/zinc/10/04/82/508100482.db2.gz VOFUIOKYXPYVSI-HONMWMINSA-N -1 0 363.483 2.950 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000114673978 508335609 /nfs/dbraw/zinc/33/56/09/508335609.db2.gz LAQVQVJLOCMFFW-UHFFFAOYSA-N -1 0 366.402 2.830 20 30 FFEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)n(C)nc2-c2ccccc2)C(=O)O1 ZINC000115961842 508458608 /nfs/dbraw/zinc/45/86/08/508458608.db2.gz UJBZDAKIPGGOOP-FDMDGMSGSA-N -1 0 370.792 2.969 20 30 FFEDRM Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000152889543 508528454 /nfs/dbraw/zinc/52/84/54/508528454.db2.gz SSASUBSHIKKVRK-UHFFFAOYSA-N -1 0 373.825 2.902 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352.431 2.860 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)C(=O)[O-] ZINC000864182507 730828699 /nfs/dbraw/zinc/82/86/99/730828699.db2.gz OBNFQGYWTVWWIJ-IIMNLJJBSA-N -1 0 350.802 2.607 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000864184210 730828902 /nfs/dbraw/zinc/82/89/02/730828902.db2.gz LIFDGFILZIOIGR-LSDHHAIUSA-N -1 0 353.802 2.570 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)CCCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000864185806 730829154 /nfs/dbraw/zinc/82/91/54/730829154.db2.gz CLHSGBLEBYXSKG-CQSZACIVSA-N -1 0 355.818 2.739 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)C(=O)[O-] ZINC000864186642 730829248 /nfs/dbraw/zinc/82/92/48/730829248.db2.gz UHCUYCSYBIBCMO-MNOVXSKESA-N -1 0 374.618 2.637 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)c1cc(OC)c(Br)s1)C(=O)[O-] ZINC000864186707 730829341 /nfs/dbraw/zinc/82/93/41/730829341.db2.gz VXMZCRRXGCZWBV-LURJTMIESA-N -1 0 368.636 2.845 20 30 FFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC 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N#Cc1ccccc1-c1ccccc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000052772325 845257747 /nfs/dbraw/zinc/25/77/47/845257747.db2.gz JJBPFRCRAFLRDP-UHFFFAOYSA-N -1 0 355.419 2.870 20 30 FFEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000058054991 845385624 /nfs/dbraw/zinc/38/56/24/845385624.db2.gz IGYZEDDZIXCVLQ-UHFFFAOYSA-N -1 0 371.846 2.886 20 30 FFEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058105358 845388339 /nfs/dbraw/zinc/38/83/39/845388339.db2.gz NRCSWKQNVSRQBQ-UHFFFAOYSA-N -1 0 371.846 2.982 20 30 FFEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)c1 ZINC000060766188 845429888 /nfs/dbraw/zinc/42/98/88/845429888.db2.gz GNUWXKLHGRJMGF-UHFFFAOYSA-N -1 0 361.419 2.794 20 30 FFEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)[O-] ZINC000315799466 845796889 /nfs/dbraw/zinc/79/68/89/845796889.db2.gz BFOFGWZEZRIKAK-MRVPVSSYSA-N -1 0 356.202 2.830 20 30 FFEDRM COc1c(Br)cccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000588508656 845970314 /nfs/dbraw/zinc/97/03/14/845970314.db2.gz ILYWSQSGVSUWIR-LMVHVUTASA-N -1 0 365.179 2.686 20 30 FFEDRM N#Cc1cc(Br)ccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001601085461 970929367 /nfs/dbraw/zinc/92/93/67/970929367.db2.gz ZCSHVDSSEKIUAJ-UHFFFAOYSA-N -1 0 359.179 2.949 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC001611254332 970956074 /nfs/dbraw/zinc/95/60/74/970956074.db2.gz FHIWLQVCRVRKQB-NXHRZFHOSA-N -1 0 372.469 2.591 20 30 FFEDRM N#Cc1cccc(-n2ccc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)n2)c1 ZINC001611299803 970983717 /nfs/dbraw/zinc/98/37/17/970983717.db2.gz YSUKGSUIIGMONS-JLSDUUJJSA-N -1 0 364.405 2.602 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(-c3ccccc3)n[nH]2)o1 ZINC000820198157 945372877 /nfs/dbraw/zinc/37/28/77/945372877.db2.gz QZQXFUKQDPXUQY-UHFFFAOYSA-N -1 0 363.385 2.814 20 30 FFEDRM C#C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001602672459 971237175 /nfs/dbraw/zinc/23/71/75/971237175.db2.gz MTVINOCRYABZGE-ZBINZKHDSA-N -1 0 352.793 2.906 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC001602684398 971280858 /nfs/dbraw/zinc/28/08/58/971280858.db2.gz ZXYJCQIRANMIMO-UHFFFAOYSA-N -1 0 354.840 2.614 20 30 FFEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC001602686180 971286272 /nfs/dbraw/zinc/28/62/72/971286272.db2.gz TXWZMTSWQBVMMN-UHFFFAOYSA-N -1 0 367.405 2.720 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602722877 971390295 /nfs/dbraw/zinc/39/02/95/971390295.db2.gz WXGBQWCTNYVLII-KRWDZBQOSA-N -1 0 369.446 2.982 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001602729017 971399292 /nfs/dbraw/zinc/39/92/92/971399292.db2.gz XKLCOGQWYWBWMS-UHFFFAOYSA-N -1 0 358.398 2.589 20 30 FFEDRM COc1cccc(CC(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)n1 ZINC000826215137 947629080 /nfs/dbraw/zinc/62/90/80/947629080.db2.gz HVPSUTDQLULASC-UHFFFAOYSA-N -1 0 370.417 2.586 20 30 FFEDRM CCCCCCCCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001589644798 949713292 /nfs/dbraw/zinc/71/32/92/949713292.db2.gz AFEZRXQOGSIECL-HVEKOLDVSA-N -1 0 368.474 2.642 20 30 FFEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001602852305 971689164 /nfs/dbraw/zinc/68/91/64/971689164.db2.gz KMWZWNZEUYPZTK-NWDGAFQWSA-N -1 0 353.216 2.877 20 30 FFEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)C(=O)c1nccn1C ZINC000123226837 971693215 /nfs/dbraw/zinc/69/32/15/971693215.db2.gz YTFFHYBSWNTGFW-GXTWGEPZSA-N -1 0 364.409 2.650 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001602954701 971935211 /nfs/dbraw/zinc/93/52/11/971935211.db2.gz NNFIWXHBGXMTQH-GOSISDBHSA-N -1 0 364.401 2.926 20 30 FFEDRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001602970353 971973343 /nfs/dbraw/zinc/97/33/43/971973343.db2.gz MNTQJCMFSFEBOO-QGZVFWFLSA-N -1 0 357.410 2.565 20 30 FFEDRM N#CC1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC001594604581 956163107 /nfs/dbraw/zinc/16/31/07/956163107.db2.gz YKVKASWQBIIECP-DLBZAZTESA-N -1 0 355.438 2.970 20 30 FFEDRM N#CCOc1cccc(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594610076 956198490 /nfs/dbraw/zinc/19/84/90/956198490.db2.gz QHZFMKFEWKNZOX-ZWKOTPCHSA-N -1 0 350.374 2.561 20 30 FFEDRM N#CCOc1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001594610434 956204209 /nfs/dbraw/zinc/20/42/09/956204209.db2.gz ZLMPAEYVYXDAMH-QGZVFWFLSA-N -1 0 350.374 2.737 20 30 FFEDRM N#Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)[nH]1 ZINC001594617565 956250359 /nfs/dbraw/zinc/25/03/59/956250359.db2.gz FMEJULKUCYEWSW-LLVKDONJSA-N -1 0 374.194 2.868 20 30 FFEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001594618124 956259927 /nfs/dbraw/zinc/25/99/27/956259927.db2.gz DQXWOWNQXFMMKA-UHFFFAOYSA-N -1 0 363.295 2.856 20 30 FFEDRM N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)s2)cc1 ZINC001594620053 956273557 /nfs/dbraw/zinc/27/35/57/956273557.db2.gz ZIABITAXWPFIKQ-JOCQHMNTSA-N -1 0 356.407 2.590 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)nc1 ZINC001594624895 956304701 /nfs/dbraw/zinc/30/47/01/956304701.db2.gz BXDKNSSIIXUWPN-CYBMUJFWSA-N -1 0 352.350 2.684 20 30 FFEDRM COCCSc1ccc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001594024308 957695243 /nfs/dbraw/zinc/69/52/43/957695243.db2.gz UMSISMQNGAWNLR-PXAZEXFGSA-N -1 0 350.440 2.607 20 30 FFEDRM COc1cc(OC)cc(-c2cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2)c1 ZINC001594067164 958142245 /nfs/dbraw/zinc/14/22/45/958142245.db2.gz BKRLYPJJMPTARV-IBGZPJMESA-N -1 0 369.377 2.709 20 30 FFEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000135364948 958889417 /nfs/dbraw/zinc/88/94/17/958889417.db2.gz YGNXCYJAURZXGQ-UHFFFAOYSA-N -1 0 354.746 2.850 20 30 FFEDRM C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(F)c(Br)c1 ZINC001594232965 959484062 /nfs/dbraw/zinc/48/40/62/959484062.db2.gz KOBSGCMGPFYWIA-RTHLEPHNSA-N -1 0 357.179 2.770 20 30 FFEDRM CC(=O)c1cc(CN(C)[C@H]2CCC[C@@H]2C#N)c([O-])c(CN2CCOCC2)c1 ZINC000872681664 1013247119 /nfs/dbraw/zinc/24/71/19/1013247119.db2.gz IVHXAYQGWKLISX-UZLBHIALSA-N -1 0 371.481 2.551 20 30 FFEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000121106308 961993950 /nfs/dbraw/zinc/99/39/50/961993950.db2.gz IRAQZRNBINUYOU-GXTWGEPZSA-N -1 0 353.422 2.919 20 30 FFEDRM CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748145884 962264432 /nfs/dbraw/zinc/26/44/32/962264432.db2.gz CETLOXXOHCEFSW-VQHVLOKHSA-N -1 0 370.361 2.664 20 30 FFEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3nc(C(C)(C)C)ccc3C#N)C2)cn1 ZINC000873072454 1013375499 /nfs/dbraw/zinc/37/54/99/1013375499.db2.gz XUSPJAUHADZWQS-CABCVRRESA-N -1 0 367.453 2.679 20 30 FFEDRM C=CCOC[C@H](NC(=O)N[C@H](C)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000684739083 966152051 /nfs/dbraw/zinc/15/20/51/966152051.db2.gz CICURSQHUZDRON-RISCZKNCSA-N -1 0 374.359 2.591 20 30 FFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@]2(c3ccccc3)CCCO2)n1 ZINC000924425561 966577821 /nfs/dbraw/zinc/57/78/21/966577821.db2.gz FUQIARBZKHTUEP-BEFAXECRSA-N -1 0 370.430 2.877 20 30 FFEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000052793990 967925631 /nfs/dbraw/zinc/92/56/31/967925631.db2.gz UQNWPXBANOZZQW-UHFFFAOYSA-N -1 0 374.466 2.785 20 30 FFEDRM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc3occc3c2[O-])C1=O ZINC001271020032 967966816 /nfs/dbraw/zinc/96/68/16/967966816.db2.gz SOADLBNLKJYESR-FQEVSTJZSA-N -1 0 354.406 2.922 20 30 FFEDRM CC(C)n1ncc2cc(C=CC(=O)Nc3cc(C#N)ccc3[O-])c(=O)[nH]c21 ZINC000179730006 969040120 /nfs/dbraw/zinc/04/01/20/969040120.db2.gz OPEXAZVTFGFFOH-GQCTYLIASA-N -1 0 363.377 2.535 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnc(CC3CC3)s2)cc1 ZINC000892529465 969372673 /nfs/dbraw/zinc/37/26/73/969372673.db2.gz QHBMJQICQBJLQZ-HNNXBMFYSA-N -1 0 369.446 2.743 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccccc2OC2CCC2)c1 ZINC000118600352 970464639 /nfs/dbraw/zinc/46/46/39/970464639.db2.gz YNKRVSREKLOOGK-UHFFFAOYSA-N -1 0 370.430 2.749 20 30 FFEDRM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001604196177 972637420 /nfs/dbraw/zinc/63/74/20/972637420.db2.gz IYKLMFQLAUSOFR-KEGWNNHHSA-N -1 0 365.389 2.600 20 30 FFEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001603323708 972660933 /nfs/dbraw/zinc/66/09/33/972660933.db2.gz FMCQZNJKQBVXGH-KRWDZBQOSA-N -1 0 358.785 2.837 20 30 FFEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(CC(=O)[O-])C2CCC2)c1C#N ZINC001605074124 972700282 /nfs/dbraw/zinc/70/02/82/972700282.db2.gz KMKJKSIURGLMQV-UHFFFAOYSA-N -1 0 372.469 2.969 20 30 FFEDRM Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC001605084837 972729582 /nfs/dbraw/zinc/72/95/82/972729582.db2.gz NOFQYPHBXHPAHR-CYBMUJFWSA-N -1 0 359.260 2.865 20 30 FFEDRM Cc1ccc(I)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001605284544 973081390 /nfs/dbraw/zinc/08/13/90/973081390.db2.gz HGEUNBPQCGYBNK-CYBMUJFWSA-N -1 0 372.162 2.543 20 30 FFEDRM C#CCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)ccc1O)CC2 ZINC001271439423 973214969 /nfs/dbraw/zinc/21/49/69/973214969.db2.gz LQLHGFICQABNMM-UHFFFAOYSA-N -1 0 360.841 2.524 20 30 FFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001604610408 973720240 /nfs/dbraw/zinc/72/02/40/973720240.db2.gz LNKLTIXDZVVCGZ-UHFFFAOYSA-N -1 0 358.438 2.670 20 30 FFEDRM N#Cc1c2ccccc2[nH]c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001605590800 973884994 /nfs/dbraw/zinc/88/49/94/973884994.db2.gz MHOHBFZSQRNCHY-DLBZAZTESA-N -1 0 359.385 2.980 20 30 FFEDRM N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cccc(C(=O)[O-])c3)C2)c(F)c1 ZINC001605611421 973920614 /nfs/dbraw/zinc/92/06/14/973920614.db2.gz XWYPYCJIKBPYSR-MRXNPFEDSA-N -1 0 367.380 2.538 20 30 FFEDRM N#Cc1sccc1N1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC001605627026 973963577 /nfs/dbraw/zinc/96/35/77/973963577.db2.gz YCGOZFSEKTYHRY-UHFFFAOYSA-N -1 0 370.434 2.601 20 30 FFEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000178701599 977740679 /nfs/dbraw/zinc/74/06/79/977740679.db2.gz JSNDTTVJQPGSNW-HNNXBMFYSA-N -1 0 372.446 2.956 20 30 FFEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000729205685 978204602 /nfs/dbraw/zinc/20/46/02/978204602.db2.gz VPWAESTULLFQPZ-UHFFFAOYSA-N -1 0 368.414 2.918 20 30 FFEDRM CC[C@@H](C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1Cc1ccc(C#N)o1 ZINC001595017490 979079351 /nfs/dbraw/zinc/07/93/51/979079351.db2.gz HBXPRJNDSGFFHY-CHWSQXEVSA-N -1 0 357.414 2.606 20 30 FFEDRM C[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001592969227 980099960 /nfs/dbraw/zinc/09/99/60/980099960.db2.gz RZBBVSNZPLGSQF-XFVCYKSVSA-N -1 0 371.364 2.749 20 30 FFEDRM CC[C@H](NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001595232921 980128415 /nfs/dbraw/zinc/12/84/15/980128415.db2.gz NFNAKNJNTRJCHL-NXOAAHMSSA-N -1 0 356.422 2.854 20 30 FFEDRM CC(C)Cn1[n-]c(CC(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1=O ZINC000904189502 980210115 /nfs/dbraw/zinc/21/01/15/980210115.db2.gz PCXSTWJCZVVAGD-UHFFFAOYSA-N -1 0 353.422 2.673 20 30 FFEDRM CC(C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC000653538809 980526530 /nfs/dbraw/zinc/52/65/30/980526530.db2.gz IRAZZTGCHUSZPE-GOSISDBHSA-N -1 0 351.406 2.960 20 30 FFEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)CC(C)(C)CC#N ZINC001595362688 980773425 /nfs/dbraw/zinc/77/34/25/980773425.db2.gz NCWJUDUGYNJIHG-HNNXBMFYSA-N -1 0 352.456 2.794 20 30 FFEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001595533544 981376818 /nfs/dbraw/zinc/37/68/18/981376818.db2.gz ZTQUGLXMOUKWLV-UHFFFAOYSA-N -1 0 356.419 2.973 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)[O-] ZINC000910917521 982094132 /nfs/dbraw/zinc/09/41/32/982094132.db2.gz BXEUYCGBRHWDMA-RDJZCZTQSA-N -1 0 373.453 2.856 20 30 FFEDRM CCCCCCCS(=O)(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595709338 982292614 /nfs/dbraw/zinc/29/26/14/982292614.db2.gz ZNWQJOYTZMGEKJ-UHFFFAOYSA-N -1 0 358.412 2.850 20 30 FFEDRM CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596347828 983800516 /nfs/dbraw/zinc/80/05/16/983800516.db2.gz RABGGTNOAWCIMK-UHFFFAOYSA-N -1 0 358.419 2.510 20 30 FFEDRM CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596374099 983880176 /nfs/dbraw/zinc/88/01/76/983880176.db2.gz TWBKENGGXKSVCA-UHFFFAOYSA-N -1 0 362.382 2.606 20 30 FFEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(OCc2ccccc2C#N)cc1 ZINC000129554738 984316292 /nfs/dbraw/zinc/31/62/92/984316292.db2.gz BCTRGQOSEKJYQI-LJQANCHMSA-N -1 0 359.385 2.738 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)cc2C)cc1 ZINC000156353936 984325441 /nfs/dbraw/zinc/32/54/41/984325441.db2.gz NYJACAZVMLRVHZ-GOSISDBHSA-N -1 0 354.381 2.824 20 30 FFEDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000058116900 984546838 /nfs/dbraw/zinc/54/68/38/984546838.db2.gz SMOCEITWIUNEQO-UHFFFAOYSA-N -1 0 371.418 2.965 20 30 FFEDRM CCOC(=O)COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001596628693 984608199 /nfs/dbraw/zinc/60/81/99/984608199.db2.gz GMLPILMDUYQUBF-SFHVURJKSA-N -1 0 354.362 2.738 20 30 FFEDRM CCOC(=O)c1ccc(C#N)c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC001596713161 984932511 /nfs/dbraw/zinc/93/25/11/984932511.db2.gz DYKBNJBEIUAVHP-HNNXBMFYSA-N -1 0 367.386 2.920 20 30 FFEDRM C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C(=O)[O-])O1 ZINC001599925318 985191427 /nfs/dbraw/zinc/19/14/27/985191427.db2.gz MTTVYASSSYCRGN-UGSOOPFHSA-N -1 0 365.389 2.616 20 30 FFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2C)n1 ZINC000171363392 985274787 /nfs/dbraw/zinc/27/47/87/985274787.db2.gz OGSYJTVLZGXXLG-HNNXBMFYSA-N -1 0 371.462 2.984 20 30 FFEDRM C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000888373398 985549316 /nfs/dbraw/zinc/54/93/16/985549316.db2.gz GMYYXHGGTSAKLK-RNCFNFMXSA-N -1 0 372.322 2.618 20 30 FFEDRM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1F ZINC000173935859 986016488 /nfs/dbraw/zinc/01/64/88/986016488.db2.gz DWZVYGUPXMDGPP-AWEZNQCLSA-N -1 0 359.401 2.755 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)cc(F)c2)cc1 ZINC000173994621 986031626 /nfs/dbraw/zinc/03/16/26/986031626.db2.gz FATYVMIXOOJWPI-GOSISDBHSA-N -1 0 354.381 2.824 20 30 FFEDRM Cc1c(C#N)cccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001599975284 986079867 /nfs/dbraw/zinc/07/98/67/986079867.db2.gz YNZJNOKRICHVNO-NWDGAFQWSA-N -1 0 355.316 2.984 20 30 FFEDRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cnn1CCC#N ZINC001599978885 986133736 /nfs/dbraw/zinc/13/37/36/986133736.db2.gz NQSGBHMFSXVBKE-OAHLLOKOSA-N -1 0 360.801 2.704 20 30 FFEDRM CCOc1ccc(N(CCC#N)C(=O)CN2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001597105551 986737682 /nfs/dbraw/zinc/73/76/82/986737682.db2.gz GRBYZSHFOILLMH-SFHVURJKSA-N -1 0 373.453 2.661 20 30 FFEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C(=O)[O-])co2)ccc1OC ZINC001594725666 987232704 /nfs/dbraw/zinc/23/27/04/987232704.db2.gz ZZRMQVHUCCAKFR-ZDUSSCGKSA-N -1 0 358.350 2.597 20 30 FFEDRM N#CCCCN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1ccc([S-])cc1 ZINC001272549822 987259676 /nfs/dbraw/zinc/25/96/76/987259676.db2.gz WASRVWQRRVFODU-HXUWFJFHSA-N -1 0 371.506 2.805 20 30 FFEDRM N#Cc1nc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)[n-]c1C#N ZINC000914532293 987775345 /nfs/dbraw/zinc/77/53/45/987775345.db2.gz DOBWKGRVNATAFU-UHFFFAOYSA-N -1 0 369.344 2.851 20 30 FFEDRM N#Cc1nc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)[n-]c1C#N ZINC000914532715 987775471 /nfs/dbraw/zinc/77/54/71/987775471.db2.gz SLIPUBPTTBCEKF-UHFFFAOYSA-N -1 0 371.282 2.610 20 30 FFEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000762052192 988084921 /nfs/dbraw/zinc/08/49/21/988084921.db2.gz INLNNNRRWHQGHQ-UHFFFAOYSA-N -1 0 351.362 2.911 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000193374557 988245506 /nfs/dbraw/zinc/24/55/06/988245506.db2.gz FHWYFRBMLCNOMG-QGZVFWFLSA-N -1 0 364.449 2.990 20 30 FFEDRM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C#N ZINC001599828576 988635185 /nfs/dbraw/zinc/63/51/85/988635185.db2.gz ZGWGRDFZSVAOLZ-CMPLNLGQSA-N -1 0 359.451 2.735 20 30 FFEDRM C[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1C#N)NC(=O)OC(C)(C)C ZINC001599834441 988721004 /nfs/dbraw/zinc/72/10/04/988721004.db2.gz DUPCGEPDVOLGRH-NSHDSACASA-N -1 0 362.382 2.603 20 30 FFEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000766032875 989289681 /nfs/dbraw/zinc/28/96/81/989289681.db2.gz HTSCSKLNAWQQPF-FNORWQNLSA-N -1 0 372.289 2.863 20 30 FFEDRM CCn1c(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001597859285 989625580 /nfs/dbraw/zinc/62/55/80/989625580.db2.gz QNDGNXABUUYXHB-XVSDVWIESA-N -1 0 357.458 2.570 20 30 FFEDRM Cc1nnc(NN=Cc2cccc(OCc3cccc(C#N)c3)c2)[n-]c1=O ZINC000915944376 989710821 /nfs/dbraw/zinc/71/08/21/989710821.db2.gz GKHHCJJULKKBHG-UHFFFAOYSA-N -1 0 360.377 2.782 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001590295926 989713769 /nfs/dbraw/zinc/71/37/69/989713769.db2.gz DSMVFAYVRNSCSS-KKUMJFAQSA-N -1 0 374.393 2.530 20 30 FFEDRM CCn1cncc1/C=C1/CC(C(=O)[O-])C/C(=C/c2cncn2CC)C1=O ZINC001597922821 989857140 /nfs/dbraw/zinc/85/71/40/989857140.db2.gz NLZSGOXXNDLWTR-PVRNWPCDSA-N -1 0 354.410 2.650 20 30 FFEDRM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000916781301 989981835 /nfs/dbraw/zinc/98/18/35/989981835.db2.gz NKFNKSNHJFGSBQ-UHFFFAOYSA-N -1 0 362.410 2.600 20 30 FFEDRM CC(C)(C)n1cc(C(=O)C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000916883461 990010372 /nfs/dbraw/zinc/01/03/72/990010372.db2.gz KTCOLDPNLKNERP-CQSZACIVSA-N -1 0 372.812 2.822 20 30 FFEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916873041 990013791 /nfs/dbraw/zinc/01/37/91/990013791.db2.gz MBFGGJXPNLJCOJ-CQSZACIVSA-N -1 0 373.365 2.595 20 30 FFEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nnn(-c2cccc(C)c2)c1C ZINC000917425711 990218157 /nfs/dbraw/zinc/21/81/57/990218157.db2.gz ZCAGNUMHYQQZKX-KRWDZBQOSA-N -1 0 367.453 2.903 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nnn(-c2cccc(C)c2)c1C ZINC000917425098 990218216 /nfs/dbraw/zinc/21/82/16/990218216.db2.gz PNGMTXWLKVQXNO-INIZCTEOSA-N -1 0 353.426 2.513 20 30 FFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)c1c(C)noc1C ZINC000917506492 990233650 /nfs/dbraw/zinc/23/36/50/990233650.db2.gz ZOQQPBVCQGFAIK-LBPRGKRZSA-N -1 0 357.366 2.618 20 30 FFEDRM CC(C)(CC#N)CNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC001590615561 990290771 /nfs/dbraw/zinc/29/07/71/990290771.db2.gz XPIDJKICYDDJQB-UHFFFAOYSA-N -1 0 360.801 2.936 20 30 FFEDRM CN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC001598073581 990378565 /nfs/dbraw/zinc/37/85/65/990378565.db2.gz QZTNUCZJGBRLBY-RNCFNFMXSA-N -1 0 351.200 2.912 20 30 FFEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000155036081 990694245 /nfs/dbraw/zinc/69/42/45/990694245.db2.gz KLXQLLVEJJWUKE-INIZCTEOSA-N -1 0 367.361 2.551 20 30 FFEDRM CC(C)(NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])on1 ZINC001590836516 990696559 /nfs/dbraw/zinc/69/65/59/990696559.db2.gz QBGRRXOAOIZWJA-UHFFFAOYSA-N -1 0 366.295 2.795 20 30 FFEDRM COC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)[N-]C(=O)C(F)(F)F)cc1 ZINC001142770934 990837162 /nfs/dbraw/zinc/83/71/62/990837162.db2.gz OPOACYIAECCOFS-UHFFFAOYSA-N -1 0 374.315 2.833 20 30 FFEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001590904333 990864853 /nfs/dbraw/zinc/86/48/53/990864853.db2.gz CJEKBDGUTXCQGG-KRWDZBQOSA-N -1 0 370.380 2.839 20 30 FFEDRM CC(C)[C@@H](C#N)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001590952495 991014074 /nfs/dbraw/zinc/01/40/74/991014074.db2.gz GYCCSCKDAANORX-CYBMUJFWSA-N -1 0 366.805 2.617 20 30 FFEDRM COc1ccc(OCc2ccccn2)c(C=NNc2nc(C)cc(=O)[nH]2)c1 ZINC000921254910 991020043 /nfs/dbraw/zinc/02/00/43/991020043.db2.gz UJAYYKGFRUMGIS-UHFFFAOYSA-N -1 0 365.393 2.919 20 30 FFEDRM C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001212256315 991096237 /nfs/dbraw/zinc/09/62/37/991096237.db2.gz CMDNUMRYMWAKEV-LLVKDONJSA-N -1 0 361.379 2.554 20 30 FFEDRM CC[C@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000175142594 991167098 /nfs/dbraw/zinc/16/70/98/991167098.db2.gz UJVSYBKXADJRBO-KRWDZBQOSA-N -1 0 372.446 2.670 20 30 FFEDRM COc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000175142510 991167479 /nfs/dbraw/zinc/16/74/79/991167479.db2.gz HNEHGTLVOVYGDY-CQSZACIVSA-N -1 0 372.446 2.707 20 30 FFEDRM COc1ccccc1C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)C(=O)[O-] ZINC001599706337 991298248 /nfs/dbraw/zinc/29/82/48/991298248.db2.gz KGIDBUYLGUPPRG-SFHVURJKSA-N -1 0 366.417 2.559 20 30 FFEDRM COc1ccccc1N1CCC(Nc2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001599714914 991436971 /nfs/dbraw/zinc/43/69/71/991436971.db2.gz PADZXMCBPJRDOC-UHFFFAOYSA-N -1 0 352.394 2.741 20 30 FFEDRM CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001598370103 991529911 /nfs/dbraw/zinc/52/99/11/991529911.db2.gz JGXYGYHZPGBKCI-GOEBONIOSA-N -1 0 358.419 2.851 20 30 FFEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)n(-c3ccccc3)n2)cc1 ZINC000069603455 991800786 /nfs/dbraw/zinc/80/07/86/991800786.db2.gz NSGNQUXQGKHDGQ-UHFFFAOYSA-N -1 0 371.418 2.883 20 30 FFEDRM CN(C[C@@H](O)c1cccc(C#N)c1)c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001598437088 991838488 /nfs/dbraw/zinc/83/84/88/991838488.db2.gz NOYFHROGOYQBJA-CYBMUJFWSA-N -1 0 365.311 2.840 20 30 FFEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000183135471 992368823 /nfs/dbraw/zinc/36/88/23/992368823.db2.gz MYPJSRJBXQONAT-AWEZNQCLSA-N -1 0 368.418 2.964 20 30 FFEDRM CC(C)Cn1c(Cc2ccc(C#N)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001591514006 992672848 /nfs/dbraw/zinc/67/28/48/992672848.db2.gz OAEHUCQDJJQOJP-UHFFFAOYSA-N -1 0 367.453 2.698 20 30 FFEDRM CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001598525606 992716653 /nfs/dbraw/zinc/71/66/53/992716653.db2.gz VNBYIPUIMZOOQI-WUJZJPHMSA-N -1 0 373.478 2.829 20 30 FFEDRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001591575768 992788557 /nfs/dbraw/zinc/78/85/57/992788557.db2.gz QYZZYGCHOQCVBL-CQSZACIVSA-N -1 0 369.462 2.675 20 30 FFEDRM C[C@@](NC(=O)c1c[nH]c(C#N)c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593145292 993940418 /nfs/dbraw/zinc/94/04/18/993940418.db2.gz BVBNHQKKWSDGNN-HNNXBMFYSA-N -1 0 352.177 2.923 20 30 FFEDRM C[C@@]1(C#N)CCN(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC000880439222 1015836236 /nfs/dbraw/zinc/83/62/36/1015836236.db2.gz QJOCREMNNVUPMT-HNNXBMFYSA-N -1 0 372.322 2.772 20 30 FFEDRM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)n[nH]c21 ZINC000808675900 994219618 /nfs/dbraw/zinc/21/96/18/994219618.db2.gz XCLNQGQTCIEVQF-LLVKDONJSA-N -1 0 364.361 2.627 20 30 FFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(C3CC3)n2)cc1OC ZINC000747562391 994520644 /nfs/dbraw/zinc/52/06/44/994520644.db2.gz UQQVDEZWGMOKAD-GFCCVEGCSA-N -1 0 371.418 2.999 20 30 FFEDRM CC#CCS(=O)(=O)[N-]C(=O)/C(=C/c1ccccc1OC)c1ccccc1 ZINC000810778978 994927893 /nfs/dbraw/zinc/92/78/93/994927893.db2.gz TWHAHVQUXOSNTQ-OBGWFSINSA-N -1 0 369.442 2.705 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593610491 995802228 /nfs/dbraw/zinc/80/22/28/995802228.db2.gz ALJPSZKXLPSRBA-ZDUSSCGKSA-N -1 0 350.374 2.609 20 30 FFEDRM C[C@H](Oc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1F)C(=O)[O-] ZINC001593626800 995897707 /nfs/dbraw/zinc/89/77/07/995897707.db2.gz QXQPCJSOHDRXAM-LBPRGKRZSA-N -1 0 372.352 2.761 20 30 FFEDRM C[C@@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(=O)NC1(C#N)CCC1 ZINC001593679502 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C=C(CCC(=O)[O-])C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC001588612205 1080121327 /nfs/dbraw/zinc/12/13/27/1080121327.db2.gz KWLGYOZNEQEULY-UHFFFAOYSA-N -1 0 352.228 2.871 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001588612536 1080121618 /nfs/dbraw/zinc/12/16/18/1080121618.db2.gz RJQZMOBPKFVKDV-GOSISDBHSA-N -1 0 360.454 2.681 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(=O)NC(CC)CC)Oc2ccccc21 ZINC001588612611 1080121785 /nfs/dbraw/zinc/12/17/85/1080121785.db2.gz UFJCPGGNDCLSNL-KRWDZBQOSA-N -1 0 374.437 2.506 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC001588614943 1080122739 /nfs/dbraw/zinc/12/27/39/1080122739.db2.gz FFLXCNJMUPRQDI-ZDUSSCGKSA-N -1 0 353.216 2.929 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC001588614702 1080122996 /nfs/dbraw/zinc/12/29/96/1080122996.db2.gz ZQTCEQQRSGTLSX-UHFFFAOYSA-N -1 0 368.474 2.903 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001588641816 1080134889 /nfs/dbraw/zinc/13/48/89/1080134889.db2.gz JGFRVJRECCKPGT-OLZOCXBDSA-N -1 0 374.865 2.878 20 30 FFEDRM C=C1CCC(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2COC)CC1 ZINC001588649985 1080140117 /nfs/dbraw/zinc/14/01/17/1080140117.db2.gz QPLXRMQOLZDXLW-UHFFFAOYSA-N -1 0 353.440 2.556 20 30 FFEDRM C=C[C@](C)(O)CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC001588684341 1080152128 /nfs/dbraw/zinc/15/21/28/1080152128.db2.gz OZZDNWYDGRHOGA-INIZCTEOSA-N -1 0 370.243 2.580 20 30 FFEDRM C=CCn1c(C)cc(C(=O)CSc2ccc(-c3nn[nH]n3)cn2)c1C ZINC001588703825 1080162427 /nfs/dbraw/zinc/16/24/27/1080162427.db2.gz UVBCCLBTPOEXLB-UHFFFAOYSA-N -1 0 354.439 2.841 20 30 FFEDRM C=CC[C@H](OC(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1)C(=O)[O-] ZINC001588752055 1080181518 /nfs/dbraw/zinc/18/15/18/1080181518.db2.gz TZHIXOFHEBMKCK-INIZCTEOSA-N -1 0 359.422 2.892 20 30 FFEDRM C=CC[C@]1(C(=O)Nc2cc(C(=O)[O-])no2)CCCN1C(=O)OC(C)(C)C ZINC001588764891 1080185538 /nfs/dbraw/zinc/18/55/38/1080185538.db2.gz KTWGALLTAMRSJT-QGZVFWFLSA-N -1 0 365.386 2.657 20 30 FFEDRM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588770961 1080188375 /nfs/dbraw/zinc/18/83/75/1080188375.db2.gz KNPPKNMLYCFZCA-CJNGLKHVSA-N -1 0 367.467 2.944 20 30 FFEDRM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001588771644 1080188617 /nfs/dbraw/zinc/18/86/17/1080188617.db2.gz XIFVBNBNPVJXKL-FZMZJTMJSA-N -1 0 368.411 2.706 20 30 FFEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(N)ccc2F)o1 ZINC001588782219 1080193393 /nfs/dbraw/zinc/19/33/93/1080193393.db2.gz PXKBNHWLKLDZTP-UHFFFAOYSA-N -1 0 358.381 2.611 20 30 FFEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001588789833 1080196328 /nfs/dbraw/zinc/19/63/28/1080196328.db2.gz KSEKRFZPFVBFEC-IUODEOHRSA-N -1 0 364.829 2.619 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC)C(=O)[O-] ZINC001588789746 1080196816 /nfs/dbraw/zinc/19/68/16/1080196816.db2.gz ITROPGOCNBQSEH-QLFBSQMISA-N -1 0 368.474 2.948 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1ccn2cc(C(F)(F)F)nc2c1)C(=O)[O-] ZINC001588793674 1080198852 /nfs/dbraw/zinc/19/88/52/1080198852.db2.gz WOOKMALJBPAUDY-NSHDSACASA-N -1 0 355.316 2.892 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC001588798340 1080200416 /nfs/dbraw/zinc/20/04/16/1080200416.db2.gz BJOBQADEWQRLGD-SNVBAGLBSA-N -1 0 367.345 2.515 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1nc(SC)ncc1Br)C(=O)[O-] ZINC001588798114 1080200614 /nfs/dbraw/zinc/20/06/14/1080200614.db2.gz UHUQKHLJBFIPTL-SECBINFHSA-N -1 0 374.260 2.500 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC001588797739 1080201052 /nfs/dbraw/zinc/20/10/52/1080201052.db2.gz KPXHBKFDUQZENN-OAHLLOKOSA-N -1 0 358.504 2.677 20 30 FFEDRM C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588805644 1080203905 /nfs/dbraw/zinc/20/39/05/1080203905.db2.gz JBRBXTLZQDQSDS-AWEZNQCLSA-N -1 0 371.397 2.730 20 30 FFEDRM C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805772 1080204162 /nfs/dbraw/zinc/20/41/62/1080204162.db2.gz NRKGKRDNMLJMPZ-HNNXBMFYSA-N -1 0 355.442 2.916 20 30 FFEDRM C=CCN(CCOC)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001588828992 1080209609 /nfs/dbraw/zinc/20/96/09/1080209609.db2.gz XGUAOWXFDZWWAH-UHFFFAOYSA-N -1 0 357.204 2.814 20 30 FFEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588831930 1080211398 /nfs/dbraw/zinc/21/13/98/1080211398.db2.gz YRMKNMXLIJHYGS-LBPRGKRZSA-N -1 0 374.418 2.601 20 30 FFEDRM C=CCOC[C@H](NC(=O)CCSc1nc2ccccc2s1)C(=O)[O-] ZINC001588853615 1080218291 /nfs/dbraw/zinc/21/82/91/1080218291.db2.gz CCYHCLCLJMJFLE-LBPRGKRZSA-N -1 0 366.464 2.551 20 30 FFEDRM C=CCOCCCC(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC001588866522 1080221274 /nfs/dbraw/zinc/22/12/74/1080221274.db2.gz JCFYJKJBTAKLRP-CQSZACIVSA-N -1 0 370.243 2.544 20 30 FFEDRM C=CCOCc1nnc(N2CCc3cccc(C(=O)[O-])c3C2)n1CC(=C)C ZINC001588868698 1080222104 /nfs/dbraw/zinc/22/21/04/1080222104.db2.gz QXGMMXNLBOWGBJ-UHFFFAOYSA-N -1 0 368.437 2.818 20 30 FFEDRM C=CCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC001588872937 1080223830 /nfs/dbraw/zinc/22/38/30/1080223830.db2.gz UKJCKRORCIKKJF-UHFFFAOYSA-N -1 0 361.419 2.737 20 30 FFEDRM C=CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001588873697 1080225530 /nfs/dbraw/zinc/22/55/30/1080225530.db2.gz IDKZAZPYKHLEFB-UHFFFAOYSA-N -1 0 368.389 2.513 20 30 FFEDRM C=CCOc1ccc(/C=C\C(=O)Nc2cnn(CC(=O)[O-])c2C)cc1OC ZINC001588875021 1080226572 /nfs/dbraw/zinc/22/65/72/1080226572.db2.gz QDFGGTSAHUCROZ-VURMDHGXSA-N -1 0 371.393 2.501 20 30 FFEDRM C=CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588879740 1080230274 /nfs/dbraw/zinc/23/02/74/1080230274.db2.gz LUHPUDGCKIFSAT-CYBMUJFWSA-N -1 0 352.504 2.697 20 30 FFEDRM C=CCc1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc(OC)c1OC ZINC001588881986 1080231379 /nfs/dbraw/zinc/23/13/79/1080231379.db2.gz KBRNDDZCFSNUBE-UZLBHIALSA-N -1 0 359.422 2.902 20 30 FFEDRM C=CCc1cc(C(=O)Nc2[nH]c(C(=O)[O-])cc2C(C)=O)cc(OC)c1OC ZINC001588882389 1080231424 /nfs/dbraw/zinc/23/14/24/1080231424.db2.gz QGPCXWKLRIDTIV-UHFFFAOYSA-N -1 0 372.377 2.914 20 30 FFEDRM C=CCc1ccc(OCC(=O)NCc2ccc(CC(=O)[O-])cc2)c(OC)c1 ZINC001588885721 1080234315 /nfs/dbraw/zinc/23/43/15/1080234315.db2.gz SSGJJNXRPDNXIP-UHFFFAOYSA-N -1 0 369.417 2.746 20 30 FFEDRM CC(C)C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)CC(=O)[O-] ZINC001588888129 1080235282 /nfs/dbraw/zinc/23/52/82/1080235282.db2.gz OFPSLPWXJDAUAU-FUHWJXTLSA-N -1 0 357.454 2.780 20 30 FFEDRM C=CCn1c([C@@H](O)/C=C\CC)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588895413 1080243569 /nfs/dbraw/zinc/24/35/69/1080243569.db2.gz FPJRPOFNVSQIQW-OOYWPUHTSA-N -1 0 368.437 2.725 20 30 FFEDRM C=CCn1c(C(F)F)nnc1N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588895646 1080245150 /nfs/dbraw/zinc/24/51/50/1080245150.db2.gz KKYPKRSNJHQEMS-VIFPVBQESA-N -1 0 369.397 2.940 20 30 FFEDRM C=CCn1c([C@@H](C)c2ccccn2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588895548 1080245242 /nfs/dbraw/zinc/24/52/42/1080245242.db2.gz IGUNAGQSZLGDNW-QLFBSQMISA-N -1 0 355.442 2.558 20 30 FFEDRM C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588895931 1080245420 /nfs/dbraw/zinc/24/54/20/1080245420.db2.gz CHUJDABFBOIQLC-PJHJGJPPSA-N -1 0 362.474 2.682 20 30 FFEDRM C=CCn1c([C@@H]2CCCC[C@H]2O)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588896070 1080245485 /nfs/dbraw/zinc/24/54/85/1080245485.db2.gz FHUURBYMQRMQDO-HZPDHXFCSA-N -1 0 362.474 2.564 20 30 FFEDRM C=CCn1c(COCC2CC2)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588900660 1080248401 /nfs/dbraw/zinc/24/84/01/1080248401.db2.gz KBMIXAWMZQVQRL-UHFFFAOYSA-N -1 0 368.437 2.652 20 30 FFEDRM C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588903977 1080253383 /nfs/dbraw/zinc/25/33/83/1080253383.db2.gz BYCNQBGWHGBIAH-XJKSGUPXSA-N -1 0 358.417 2.741 20 30 FFEDRM C=CCn1c(Cc2ccnc(C)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588904686 1080254844 /nfs/dbraw/zinc/25/48/44/1080254844.db2.gz ZPWMJSXFFBXUGA-INIZCTEOSA-N -1 0 369.469 2.840 20 30 FFEDRM C=CCn1c2ccccc2nc1S[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001588904739 1080254928 /nfs/dbraw/zinc/25/49/28/1080254928.db2.gz AWEVHSXKCZRUKK-HNNXBMFYSA-N -1 0 359.451 2.780 20 30 FFEDRM C=CCn1c([C@@H]2Cc3ccccc3CO2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588909871 1080258159 /nfs/dbraw/zinc/25/81/59/1080258159.db2.gz CFWPIPQBGPGHLB-KRWDZBQOSA-N -1 0 368.437 2.579 20 30 FFEDRM C=CCn1nc(C)c(-c2cc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])[nH]n2)c1C ZINC001588912402 1080259530 /nfs/dbraw/zinc/25/95/30/1080259530.db2.gz ITTYDFUFWQPUOI-MRXNPFEDSA-N -1 0 371.441 2.545 20 30 FFEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588914447 1080261914 /nfs/dbraw/zinc/26/19/14/1080261914.db2.gz WUTQWVMJDWFKEO-JQHSSLGASA-N -1 0 358.438 2.838 20 30 FFEDRM CC(=NOCc1nccn1CC(F)(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001589020710 1080309332 /nfs/dbraw/zinc/30/93/32/1080309332.db2.gz GDVNNOBLLWVHRA-UHFFFAOYSA-N -1 0 371.315 2.850 20 30 FFEDRM CC(=O)Nc1cc(Cl)c(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C(=O)[O-] ZINC001589174270 1080396897 /nfs/dbraw/zinc/39/68/97/1080396897.db2.gz WRNRBTFHUYRRKC-VHSXEESVSA-N -1 0 364.789 2.810 20 30 FFEDRM CC(=O)c1[nH]c(CC(=O)Nc2ccccc2O[C@@H](C)C#N)c(C(=O)[O-])c1C ZINC001589248248 1080444698 /nfs/dbraw/zinc/44/46/98/1080444698.db2.gz JVOLRYGJVYMNTH-JTQLQIEISA-N -1 0 369.377 2.696 20 30 FFEDRM C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001589330890 1080485832 /nfs/dbraw/zinc/48/58/32/1080485832.db2.gz UEOWYVJHKJYVGS-GFCCVEGCSA-N -1 0 358.419 2.851 20 30 FFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1nc(C(=O)[O-])co1 ZINC001589331295 1080485960 /nfs/dbraw/zinc/48/59/60/1080485960.db2.gz ACAVOMVZXUHZFO-SNVBAGLBSA-N -1 0 360.395 2.946 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC001589774067 1080730149 /nfs/dbraw/zinc/73/01/49/1080730149.db2.gz VUCYSLHEPMNREE-VXGBXAGGSA-N -1 0 359.434 2.973 20 30 FFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC[C@H]([C@H]3CCOC3)C2)o1 ZINC001589774064 1080730547 /nfs/dbraw/zinc/73/05/47/1080730547.db2.gz VUCYSLHEPMNREE-RYUDHWBXSA-N -1 0 359.434 2.973 20 30 FFEDRM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C#N)s2)[C@@H](C(=O)[O-])C1 ZINC001590034419 1080960249 /nfs/dbraw/zinc/96/02/49/1080960249.db2.gz FGNHFJXOBQNFEX-CQSZACIVSA-N -1 0 365.455 2.516 20 30 FFEDRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)C12CCC2 ZINC001590138269 1081043171 /nfs/dbraw/zinc/04/31/71/1081043171.db2.gz DPHRJKVHCVJCPC-CABCVRRESA-N -1 0 372.425 2.899 20 30 FFEDRM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000275114351 255957520 /nfs/dbraw/zinc/95/75/20/255957520.db2.gz NFHQSCYCBSHNKD-WCQYABFASA-N -1 0 370.858 2.723 20 30 FFEDRM N#Cc1cccc(C2(NS(=O)(=O)c3cccnc3C(F)(F)F)CC2)c1 ZINC000287822655 257117446 /nfs/dbraw/zinc/11/74/46/257117446.db2.gz NEAQEFGVZLBWOU-UHFFFAOYSA-N -1 0 367.352 2.940 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)cc1C#N ZINC000329429097 258138525 /nfs/dbraw/zinc/13/85/25/258138525.db2.gz JVVOGMNYHGZAJI-OAHLLOKOSA-N -1 0 361.467 2.802 20 30 FFEDRM 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365.373 2.671 20 30 FFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000436390527 513844242 /nfs/dbraw/zinc/84/42/42/513844242.db2.gz WYWKUSFKFLUXQX-MAPJRGFJSA-N -1 0 360.439 2.826 20 30 FFEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000431192155 513849971 /nfs/dbraw/zinc/84/99/71/513849971.db2.gz LVEPKDXOQYVDFX-UHFFFAOYSA-N -1 0 352.419 2.912 20 30 FFEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ncccc2C#N)s1 ZINC000443126866 513880626 /nfs/dbraw/zinc/88/06/26/513880626.db2.gz AKZYSUNQGGVUQM-UHFFFAOYSA-N -1 0 358.242 2.887 20 30 FFEDRM COc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C)c(OC)c1 ZINC000443414945 513964277 /nfs/dbraw/zinc/96/42/77/513964277.db2.gz DMDPYBKJZDKFEG-UHFFFAOYSA-N -1 0 368.361 2.963 20 30 FFEDRM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)nc1 ZINC000436867811 514015327 /nfs/dbraw/zinc/01/53/27/514015327.db2.gz DSXIVXQZKXBPRW-GFCCVEGCSA-N -1 0 361.760 2.745 20 30 FFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436909516 514030480 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FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1F ZINC000427101793 514116217 /nfs/dbraw/zinc/11/62/17/514116217.db2.gz RTAFFYMWRLEWHI-UHFFFAOYSA-N -1 0 373.409 2.734 20 30 FFEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1C#N ZINC000427122686 514122344 /nfs/dbraw/zinc/12/23/44/514122344.db2.gz SFJVMFPAEODGRQ-UHFFFAOYSA-N -1 0 372.450 2.591 20 30 FFEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)ccc1Cl ZINC000427210120 514151316 /nfs/dbraw/zinc/15/13/16/514151316.db2.gz QRVTVAXECBJREI-UHFFFAOYSA-N -1 0 364.814 2.674 20 30 FFEDRM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)nn1-c1cccc(F)c1 ZINC000427298009 514174769 /nfs/dbraw/zinc/17/47/69/514174769.db2.gz YLTAUMIWALUXIN-UHFFFAOYSA-N -1 0 371.397 2.696 20 30 FFEDRM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)n[nH]2)c1 ZINC000427295647 514175553 /nfs/dbraw/zinc/17/55/53/514175553.db2.gz PHJMXPYZVHWFPO-UHFFFAOYSA-N -1 0 371.397 2.900 20 30 FFEDRM Cc1nnc(-c2cc(F)ccc2[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)o1 ZINC000427329500 514184987 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FFEDRM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)Oc2ccccc2)cc1C#N ZINC000524450885 516722794 /nfs/dbraw/zinc/72/27/94/516722794.db2.gz LJQFUVCXXYAQCC-UHFFFAOYSA-N -1 0 357.435 2.968 20 30 FFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N[C@@](C)(CCC(C)(C)C)C(=O)[O-] ZINC000551597456 516780966 /nfs/dbraw/zinc/78/09/66/516780966.db2.gz SNQWVLDGGXKYNY-KRWDZBQOSA-N -1 0 352.456 2.815 20 30 FFEDRM N#CC1(CS(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CCCC1 ZINC000548209215 516828573 /nfs/dbraw/zinc/82/85/73/516828573.db2.gz KCUPUTDDUYMQBZ-OAHLLOKOSA-N -1 0 350.440 2.596 20 30 FFEDRM CC(C)[C@@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000548221321 516835224 /nfs/dbraw/zinc/83/52/24/516835224.db2.gz UMFYTBMJNOBFRQ-SFHVURJKSA-N -1 0 372.446 2.858 20 30 FFEDRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000524966046 516881977 /nfs/dbraw/zinc/88/19/77/516881977.db2.gz CRGGPIWJJDONSW-UHFFFAOYSA-N -1 0 374.378 2.534 20 30 FFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000562315426 517026641 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C=CCOC[C@H](NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC000555846985 517152147 /nfs/dbraw/zinc/15/21/47/517152147.db2.gz YUGKNTOQOGYRDP-KBPBESRZSA-N -1 0 368.817 2.509 20 30 FFEDRM N#Cc1ccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000545445260 517241692 /nfs/dbraw/zinc/24/16/92/517241692.db2.gz YOWNIPALXRUVGZ-UHFFFAOYSA-N -1 0 364.188 2.939 20 30 FFEDRM C=CCC[C@H](NC(=O)NCc1ccccc1-n1nc(C)cc1C)C(=O)[O-] ZINC000562648538 517268272 /nfs/dbraw/zinc/26/82/72/517268272.db2.gz RNSOPZQCDMJSSI-INIZCTEOSA-N -1 0 356.426 2.708 20 30 FFEDRM C=CCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000545547198 517285994 /nfs/dbraw/zinc/28/59/94/517285994.db2.gz CBTMKKKLPBCIQK-UHFFFAOYSA-N -1 0 361.419 2.737 20 30 FFEDRM CNc1ccc(C#N)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000552576726 517312965 /nfs/dbraw/zinc/31/29/65/517312965.db2.gz OJRGJDMFSAOIFA-UHFFFAOYSA-N -1 0 351.341 2.883 20 30 FFEDRM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)no1 ZINC000526126863 517357837 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COc1cccc(N=c2[n-]nc(Sc3nc(C)cc(C#N)n3)s2)c1 ZINC000553248399 517599575 /nfs/dbraw/zinc/59/95/75/517599575.db2.gz RYSXLPZDJNSUGY-UHFFFAOYSA-N -1 0 356.436 2.834 20 30 FFEDRM Cc1cc(C)c(C[C@@H](C(=O)N=c2[n-]n(C)cc2C#N)C(F)(F)F)c(C)c1 ZINC000533761653 517600544 /nfs/dbraw/zinc/60/05/44/517600544.db2.gz SRZCBXXLKGABKO-HNNXBMFYSA-N -1 0 364.371 2.999 20 30 FFEDRM C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000516531772 517728170 /nfs/dbraw/zinc/72/81/70/517728170.db2.gz MRVLSINPCGEYCE-GOSISDBHSA-N -1 0 370.405 2.885 20 30 FFEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)nc2)c1 ZINC000538753956 517762790 /nfs/dbraw/zinc/76/27/90/517762790.db2.gz QGVFTELNIQBRPI-UHFFFAOYSA-N -1 0 362.407 2.624 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000546624233 517763472 /nfs/dbraw/zinc/76/34/72/517763472.db2.gz LGAKFPRREABCOC-AWEZNQCLSA-N -1 0 374.418 2.535 20 30 FFEDRM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C#N)o3)n2)cc1 ZINC000553837521 517927533 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BCEOAELPJABKNA-AULYBMBSSA-N -1 0 355.843 2.817 20 30 FFEDRM C#Cc1cccc(CNC(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c1 ZINC001588522102 1080075673 /nfs/dbraw/zinc/07/56/73/1080075673.db2.gz BKRVQQQXNGTCCA-LBPRGKRZSA-N -1 0 356.353 2.981 20 30 FFEDRM C#Cc1ccccc1CC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588524647 1080077131 /nfs/dbraw/zinc/07/71/31/1080077131.db2.gz PBQHMPBNTPVYKJ-ZWKOTPCHSA-N -1 0 369.367 2.815 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588540950 1080087528 /nfs/dbraw/zinc/08/75/28/1080087528.db2.gz PMIDIQRKHBNDNF-ZIAGYGMSSA-N -1 0 354.447 2.559 20 30 FFEDRM C=C(C)C[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[O-] ZINC001588540475 1080087971 /nfs/dbraw/zinc/08/79/71/1080087971.db2.gz GZENSNANMXXVEV-KRWDZBQOSA-N -1 0 374.437 2.571 20 30 FFEDRM C=C(C)C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)[O-] ZINC001588540518 1080088145 /nfs/dbraw/zinc/08/81/45/1080088145.db2.gz IDCYTECURXJPHU-STQMWFEESA-N -1 0 356.463 2.852 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588543822 1080089567 /nfs/dbraw/zinc/08/95/67/1080089567.db2.gz OKHRKOSVCACAMC-KGLIPLIRSA-N -1 0 356.463 2.804 20 30 FFEDRM C=C(C)Cn1c(-c2cc(C)n(C)n2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588577539 1080104994 /nfs/dbraw/zinc/10/49/94/1080104994.db2.gz WYNBBKPBQUVSGA-HNNXBMFYSA-N -1 0 372.473 2.644 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(COC)o2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588578525 1080106111 /nfs/dbraw/zinc/10/61/11/1080106111.db2.gz KRFGHMJYRVMYDM-ZIAGYGMSSA-N -1 0 374.441 2.808 20 30 FFEDRM C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCO[C@@H](CC(=O)[O-])C1 ZINC001588578683 1080106228 /nfs/dbraw/zinc/10/62/28/1080106228.db2.gz NDQXKNPJRFPFFR-HNNXBMFYSA-N -1 0 374.416 2.649 20 30 FFEDRM C=C(C)Cn1c(-c2n[nH]c(C)c2Cl)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588590041 1080113293 /nfs/dbraw/zinc/11/32/93/1080113293.db2.gz XDXMDIMLFVFAEJ-INIZCTEOSA-N -1 0 364.837 2.507 20 30 FFEDRM C=C(C)Cn1c(-c2csc(C)n2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588590065 1080113720 /nfs/dbraw/zinc/11/37/20/1080113720.db2.gz XZCQNZMQNKIFKB-DGCLKSJQSA-N -1 0 361.471 2.833 20 30 FFEDRM C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588597955 1080118110 /nfs/dbraw/zinc/11/81/10/1080118110.db2.gz OWTUJFHRKUAQBA-LJQANCHMSA-N -1 0 374.416 2.574 20 30 FFEDRM C=C(C)Cn1c(Cc2ncccc2C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588598420 1080118594 /nfs/dbraw/zinc/11/85/94/1080118594.db2.gz BNHJZHMCIYGYBR-HXUWFJFHSA-N -1 0 369.469 2.840 20 30 FFEDRM C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nnc1[C@@]1(C)CCC=CO1 ZINC001588598600 1080119419 /nfs/dbraw/zinc/11/94/19/1080119419.db2.gz IEHOHFZHJRRSAB-QMTMVMCOSA-N -1 0 360.458 2.941 20 30 FFEDRM C=C(CCC(=O)[O-])C(=O)N(C)CCOc1ccc(Br)cc1 ZINC001588606719 1080121735 /nfs/dbraw/zinc/12/17/35/1080121735.db2.gz GXEFODYWNDUNDL-UHFFFAOYSA-N -1 0 356.216 2.707 20 30 FFEDRM C=C(CC)CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001588606755 1080121919 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C=CC[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588751283 1080180798 /nfs/dbraw/zinc/18/07/98/1080180798.db2.gz KOYZKZFFGWVYAQ-KCJUWKMLSA-N -1 0 360.193 2.684 20 30 FFEDRM C=CC[C@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001588754224 1080181362 /nfs/dbraw/zinc/18/13/62/1080181362.db2.gz VRZHNHUZXSXAJK-LBPRGKRZSA-N -1 0 350.758 2.895 20 30 FFEDRM C=CC[C@@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001588754223 1080181469 /nfs/dbraw/zinc/18/14/69/1080181469.db2.gz VRZHNHUZXSXAJK-GFCCVEGCSA-N -1 0 350.758 2.895 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588789923 1080197662 /nfs/dbraw/zinc/19/76/62/1080197662.db2.gz NBJZXYDPIHGYDW-LIRRHRJNSA-N -1 0 368.474 2.949 20 30 FFEDRM C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(CCC)cc2)C1)C(=O)[O-] ZINC001588790147 1080197836 /nfs/dbraw/zinc/19/78/36/1080197836.db2.gz RNHWQRSOXYBZIS-WMZOPIPTSA-N -1 0 372.465 2.918 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001588793809 1080198855 /nfs/dbraw/zinc/19/88/55/1080198855.db2.gz BRJIHUICPCQFBR-ZDUSSCGKSA-N -1 0 356.463 2.853 20 30 FFEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001588794430 1080199752 /nfs/dbraw/zinc/19/97/52/1080199752.db2.gz UJGSOJKWNJBMNT-UONOGXRCSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nn(C(C)C)c(=O)c2ccccc21)C(=O)[O-] ZINC001588797300 1080200405 /nfs/dbraw/zinc/20/04/05/1080200405.db2.gz BWVDZDGMTRKECB-HNNXBMFYSA-N -1 0 357.410 2.517 20 30 FFEDRM C=CCCn1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nn1 ZINC001588817877 1080206247 /nfs/dbraw/zinc/20/62/47/1080206247.db2.gz XLBBRWAGKPAFCE-ZDUSSCGKSA-N -1 0 369.299 2.856 20 30 FFEDRM C=CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001588824108 1080208750 /nfs/dbraw/zinc/20/87/50/1080208750.db2.gz SMPNFFWGXAUIOH-UHFFFAOYSA-N -1 0 369.377 2.920 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588832828 1080211905 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C=CCOc1ccccc1CNC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588877478 1080226167 /nfs/dbraw/zinc/22/61/67/1080226167.db2.gz RYLAOKDWBLOPIP-MRXNPFEDSA-N -1 0 372.343 2.800 20 30 FFEDRM C=CCOc1cccc(NS(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001588877505 1080227577 /nfs/dbraw/zinc/22/75/77/1080227577.db2.gz VORJAHFGWWMHGE-UHFFFAOYSA-N -1 0 365.382 2.818 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1nccnc1SC ZINC001588885660 1080233858 /nfs/dbraw/zinc/23/38/58/1080233858.db2.gz VZFPAUHFUUSBBX-UHFFFAOYSA-N -1 0 360.391 2.853 20 30 FFEDRM C=CCn1c(-c2cc3ccsc3[nH]2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588889461 1080237342 /nfs/dbraw/zinc/23/73/42/1080237342.db2.gz VTUGIIWKICDAPU-QGZVFWFLSA-N -1 0 357.439 2.975 20 30 FFEDRM C=CCn1c(-c2cscn2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588889764 1080237637 /nfs/dbraw/zinc/23/76/37/1080237637.db2.gz CZMLDILRPXCDNR-LBPRGKRZSA-N -1 0 361.471 2.915 20 30 FFEDRM C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588889462 1080237646 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N#Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000548533345 517039009 /nfs/dbraw/zinc/03/90/09/517039009.db2.gz CYOQGDBCDIIGTG-HNNXBMFYSA-N -1 0 362.382 2.582 20 30 FFEDRM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000537125881 517048814 /nfs/dbraw/zinc/04/88/14/517048814.db2.gz KYBWAFBFKVVMFN-LJQANCHMSA-N -1 0 357.417 2.619 20 30 FFEDRM CC(C)C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)CC(=O)[O-] ZINC000548553401 517049458 /nfs/dbraw/zinc/04/94/58/517049458.db2.gz ARERTQJRGWJTAF-NSHDSACASA-N -1 0 358.847 2.627 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1F ZINC000548579813 517064404 /nfs/dbraw/zinc/06/44/04/517064404.db2.gz HUHLZXRRICWHCQ-HNNXBMFYSA-N -1 0 362.382 2.500 20 30 FFEDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000548596299 517075525 /nfs/dbraw/zinc/07/55/25/517075525.db2.gz JPPZAJIRUIZMTM-MFKMUULPSA-N -1 0 358.847 2.769 20 30 FFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)C(=O)[O-] ZINC000562409503 517087771 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FFEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)s2)cc1OC ZINC000832236055 601276677 /nfs/dbraw/zinc/27/66/77/601276677.db2.gz VKAYSIJATVLDKY-GFCCVEGCSA-N -1 0 360.391 2.583 20 30 FFEDRM Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000832878911 601337190 /nfs/dbraw/zinc/33/71/90/601337190.db2.gz JXNNCJZZGAXUEG-UHFFFAOYSA-N -1 0 371.422 2.671 20 30 FFEDRM Cc1noc2nc(C)cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000832867706 601347652 /nfs/dbraw/zinc/34/76/52/601347652.db2.gz CJJCRDYLOWNASU-OAHLLOKOSA-N -1 0 351.318 2.694 20 30 FFEDRM C[C@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827896721 601350896 /nfs/dbraw/zinc/35/08/96/601350896.db2.gz ZAQGCZUBACYJSF-YVEFUNNKSA-N -1 0 353.330 2.507 20 30 FFEDRM COC(=O)c1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000831379510 601352901 /nfs/dbraw/zinc/35/29/01/601352901.db2.gz QNONNCHFYZXUCC-GOSISDBHSA-N -1 0 367.357 2.647 20 30 FFEDRM CCOc1ccc(F)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000830079879 601353689 /nfs/dbraw/zinc/35/36/89/601353689.db2.gz BIEQGWDQSPRGBE-INIZCTEOSA-N -1 0 358.325 2.661 20 30 FFEDRM N#Cc1ccc(OCc2ccc(C(=O)NC3(CC(=O)[O-])CCC3)o2)cc1 ZINC000833070891 601434448 /nfs/dbraw/zinc/43/44/48/601434448.db2.gz CNMFGAAVPFLSND-UHFFFAOYSA-N -1 0 354.362 2.857 20 30 FFEDRM CC(C)C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)N1CCCCC1=O ZINC000826753623 601606408 /nfs/dbraw/zinc/60/64/08/601606408.db2.gz DGJAIIFYQWZQQR-FUHWJXTLSA-N -1 0 372.421 2.654 20 30 FFEDRM CCOc1ccc(C[C@H](CNC(=O)c2cc(C#N)cs2)C(=O)[O-])cc1 ZINC000830071506 601678630 /nfs/dbraw/zinc/67/86/30/601678630.db2.gz ZAEMPRNADWDYGA-CQSZACIVSA-N -1 0 358.419 2.692 20 30 FFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(C)(C)C(=O)[O-])cc1C ZINC000832907856 601712550 /nfs/dbraw/zinc/71/25/50/601712550.db2.gz AHQGZNOXCFQUAA-UHFFFAOYSA-N -1 0 368.437 2.921 20 30 FFEDRM O=C([O-])c1cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c[nH]1 ZINC000833092480 601793458 /nfs/dbraw/zinc/79/34/58/601793458.db2.gz GEURIOKYLXWTAU-LZCJLJQNSA-N -1 0 355.318 2.605 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000740274149 601861479 /nfs/dbraw/zinc/86/14/79/601861479.db2.gz JLRJQELILFJPAA-UHFFFAOYSA-N -1 0 370.409 2.951 20 30 FFEDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000740405146 602075547 /nfs/dbraw/zinc/07/55/47/602075547.db2.gz TUXNCSXUSCQNPF-QZTJIDSGSA-N -1 0 355.438 2.602 20 30 FFEDRM C[C@@H](Oc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1)C(=O)[O-] ZINC000794696904 602106574 /nfs/dbraw/zinc/10/65/74/602106574.db2.gz WKABPJUSHNPRNE-XTCQQWIJSA-N -1 0 372.398 2.592 20 30 FFEDRM C=CCN(C(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C)c1ccccc1 ZINC000738490139 602109849 /nfs/dbraw/zinc/10/98/49/602109849.db2.gz MPBYBUJCAYMIIZ-UHFFFAOYSA-N -1 0 369.425 2.734 20 30 FFEDRM C[C@@H](Oc1ccc(/C=C2/COc3cc4c(cc3C2=O)OCO4)cc1)C(=O)[O-] ZINC000794706455 602110613 /nfs/dbraw/zinc/11/06/13/602110613.db2.gz GFUJZBQJSYOLEV-PZHUPROXSA-N -1 0 368.341 2.926 20 30 FFEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738489665 602158242 /nfs/dbraw/zinc/15/82/42/602158242.db2.gz HBRCDTMOMGAGHC-UHFFFAOYSA-N -1 0 361.442 2.783 20 30 FFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740028571 602202842 /nfs/dbraw/zinc/20/28/42/602202842.db2.gz UAXVMYLFIGSGCN-UHFFFAOYSA-N -1 0 368.393 2.615 20 30 FFEDRM C=CCn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1cnccn1 ZINC000825711300 602241963 /nfs/dbraw/zinc/24/19/63/602241963.db2.gz YBVASHBMSAQKKA-UHFFFAOYSA-N -1 0 359.436 2.973 20 30 FFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000740318115 602264798 /nfs/dbraw/zinc/26/47/98/602264798.db2.gz VRHGYIBVHRKNOI-HNNXBMFYSA-N -1 0 351.366 2.651 20 30 FFEDRM N#Cc1ccc(SCC(=O)Nc2cccc(OCCNC(=O)[O-])c2)cc1 ZINC000740320750 602294874 /nfs/dbraw/zinc/29/48/74/602294874.db2.gz ZABPCCHHHDFEJE-UHFFFAOYSA-N -1 0 371.418 2.935 20 30 FFEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738800731 602407237 /nfs/dbraw/zinc/40/72/37/602407237.db2.gz PPMMDBATUZVAKO-KSSFIOAISA-N -1 0 373.453 2.856 20 30 FFEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000739057786 602430121 /nfs/dbraw/zinc/43/01/21/602430121.db2.gz WFKLTRLIBZGHDU-TYILLQQXSA-N -1 0 359.426 2.658 20 30 FFEDRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000739524411 602473498 /nfs/dbraw/zinc/47/34/98/602473498.db2.gz GKSXYXQXEZXXHV-ROUUACIJSA-N -1 0 367.405 2.993 20 30 FFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740254179 602515965 /nfs/dbraw/zinc/51/59/65/602515965.db2.gz UMXITAYIBOAYAZ-UHFFFAOYSA-N -1 0 369.425 2.753 20 30 FFEDRM CN(C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1)C(=O)[O-] ZINC000739658711 602536125 /nfs/dbraw/zinc/53/61/25/602536125.db2.gz AYOIBFPGYNVREW-OAHLLOKOSA-N -1 0 368.437 2.669 20 30 FFEDRM C#CCOc1ccc([C@@H](C)OC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000738468207 602728515 /nfs/dbraw/zinc/72/85/15/602728515.db2.gz XKYNHQAQDLOLSQ-LLVKDONJSA-N -1 0 360.391 2.841 20 30 FFEDRM C#CCOc1ccc([C@H](C)OC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000738468209 602728544 /nfs/dbraw/zinc/72/85/44/602728544.db2.gz XKYNHQAQDLOLSQ-NSHDSACASA-N -1 0 360.391 2.841 20 30 FFEDRM Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740130744 602772442 /nfs/dbraw/zinc/77/24/42/602772442.db2.gz PRVGUXAQQDYBIR-FUHWJXTLSA-N -1 0 372.469 2.528 20 30 FFEDRM N#C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1cccc(Br)c1 ZINC000831070963 602785616 /nfs/dbraw/zinc/78/56/16/602785616.db2.gz VXGSXKFFZMHURS-STQMWFEESA-N -1 0 366.215 2.662 20 30 FFEDRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000739308915 602845100 /nfs/dbraw/zinc/84/51/00/602845100.db2.gz FHYOOZBMILCRKA-NWDGAFQWSA-N -1 0 354.204 2.566 20 30 FFEDRM CC(C)N(CCC(=O)N[C@@H](C#N)c1ccccc1Br)C(=O)[O-] ZINC000738840097 602850648 /nfs/dbraw/zinc/85/06/48/602850648.db2.gz UFKQCFLHJMTPCI-ZDUSSCGKSA-N -1 0 368.231 2.908 20 30 FFEDRM CCN(CC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)cc2)cs1)C(=O)[O-] ZINC000739385737 602866098 /nfs/dbraw/zinc/86/60/98/602866098.db2.gz UYZALZFIGJZEHT-CYBMUJFWSA-N -1 0 359.407 2.995 20 30 FFEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000739965705 602890601 /nfs/dbraw/zinc/89/06/01/602890601.db2.gz UDQVLBRDDQPXJU-QGZVFWFLSA-N -1 0 353.378 2.534 20 30 FFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738863848 602947329 /nfs/dbraw/zinc/94/73/29/602947329.db2.gz QYVQXORCZCOONA-BETUJISGSA-N -1 0 360.414 2.950 20 30 FFEDRM Cc1sc(NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)c(C#N)c1C ZINC000740281182 603075451 /nfs/dbraw/zinc/07/54/51/603075451.db2.gz NHPHMFOHVPGCJI-UHFFFAOYSA-N -1 0 355.419 2.980 20 30 FFEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738821247 603090793 /nfs/dbraw/zinc/09/07/93/603090793.db2.gz PUWNQIGDVNNWJF-KRWDZBQOSA-N -1 0 358.442 2.772 20 30 FFEDRM C#CCOc1cccc(OC(=O)[C@H](NC(=O)[O-])c2ccccc2OC)c1 ZINC000738471415 603176798 /nfs/dbraw/zinc/17/67/98/603176798.db2.gz ZAFPMDPEVJAYCQ-QGZVFWFLSA-N -1 0 355.346 2.622 20 30 FFEDRM C[C@@H](NC(=O)[O-])c1ccc(Nc2ncnc3c2cnn3CCC#N)cc1 ZINC000825454870 603206724 /nfs/dbraw/zinc/20/67/24/603206724.db2.gz XIHJQBNNYJXQEC-LLVKDONJSA-N -1 0 351.370 2.812 20 30 FFEDRM COc1ccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1NC(=O)[O-] ZINC000739925948 603243145 /nfs/dbraw/zinc/24/31/45/603243145.db2.gz VTMVARPBQJJAEL-HNNXBMFYSA-N -1 0 366.377 2.874 20 30 FFEDRM N#CCOc1cccc(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000831109473 603280673 /nfs/dbraw/zinc/28/06/73/603280673.db2.gz KDYXACSBSABJTP-INIZCTEOSA-N -1 0 354.366 2.719 20 30 FFEDRM O=C([O-])N1CCC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000739480472 603287846 /nfs/dbraw/zinc/28/78/46/603287846.db2.gz OSSZQQRQCWFEQO-GOSISDBHSA-N -1 0 364.405 2.745 20 30 FFEDRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000832557125 603317801 /nfs/dbraw/zinc/31/78/01/603317801.db2.gz SRWHJAWVASKGEV-GOSISDBHSA-N -1 0 364.405 2.745 20 30 FFEDRM N#CCOc1ccc(CNC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740305687 603327178 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FFEDRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCc2c(CC#N)cccc2C1 ZINC001598714371 995386742 /nfs/dbraw/zinc/38/67/42/995386742.db2.gz VQXORMSCGGQQLE-LJQANCHMSA-N -1 0 364.401 2.723 20 30 FFEDRM C#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc(F)cc1 ZINC000812747920 995524290 /nfs/dbraw/zinc/52/42/90/995524290.db2.gz GRZZDDSLKRIGGM-INIZCTEOSA-N -1 0 353.328 2.960 20 30 FFEDRM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C#N)C(=O)C(C)(C)C(=O)[O-] ZINC001593578605 995688042 /nfs/dbraw/zinc/68/80/42/995688042.db2.gz DYYGNVYZOCMDCO-QMMMGPOBSA-N -1 0 357.284 2.802 20 30 FFEDRM C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)C(=O)[O-] ZINC001593585894 995704546 /nfs/dbraw/zinc/70/45/46/995704546.db2.gz ULDZGIFKSVLNES-SNVBAGLBSA-N -1 0 357.293 2.689 20 30 FFEDRM C[C@@H](OCCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001593608734 995798250 /nfs/dbraw/zinc/79/82/50/995798250.db2.gz PEHCQXHLALFDPI-KDOFPFPSSA-N -1 0 353.374 2.875 20 30 FFEDRM C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593611592 995808870 /nfs/dbraw/zinc/80/88/70/995808870.db2.gz SNLIYINHTKSEMY-VCBZYWHSSA-N -1 0 366.417 2.774 20 30 FFEDRM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001593699724 996171882 /nfs/dbraw/zinc/17/18/82/996171882.db2.gz WUAPHDWYLKDWAA-SWLSCSKDSA-N -1 0 367.409 2.690 20 30 FFEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC001593736757 996329536 /nfs/dbraw/zinc/32/95/36/996329536.db2.gz HQGKDVABWLLOTD-NSHDSACASA-N -1 0 360.414 2.735 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCN(c2nnc(CCCC#N)n2Cc2cccs2)C1 ZINC001593800009 996519109 /nfs/dbraw/zinc/51/91/09/996519109.db2.gz AZVSIKRZLVXYIR-QGZVFWFLSA-N -1 0 359.455 2.535 20 30 FFEDRM CC1(C)C[C@]1(C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001593863475 996663248 /nfs/dbraw/zinc/66/32/48/996663248.db2.gz GSRITEWYSFMWDY-CYBMUJFWSA-N -1 0 363.222 2.662 20 30 FFEDRM COC(=O)Cc1ccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC001598872378 996742897 /nfs/dbraw/zinc/74/28/97/996742897.db2.gz 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0 350.422 2.761 20 30 FFEDRM Cc1nn(C)c(C)c1OCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845838386 998670829 /nfs/dbraw/zinc/67/08/29/998670829.db2.gz SJAZLAKHLBWEOS-AWEZNQCLSA-N -1 0 371.462 2.948 20 30 FFEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000732493546 998683602 /nfs/dbraw/zinc/68/36/02/998683602.db2.gz QSFKOOVQNFWIJG-UHFFFAOYSA-N -1 0 365.414 2.813 20 30 FFEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000732598586 998708012 /nfs/dbraw/zinc/70/80/12/998708012.db2.gz VJLBQRHDLZZBRV-HNNXBMFYSA-N -1 0 368.458 2.699 20 30 FFEDRM C[C@@H]1CC[C@](NCC(=O)Nc2cccc(C#N)c2)(C(=O)[O-])c2ccccc21 ZINC001594324247 999250249 /nfs/dbraw/zinc/25/02/49/999250249.db2.gz YWUKYXJRPNUOTQ-SPLOXXLWSA-N -1 0 363.417 2.964 20 30 FFEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(Nc2ccccn2)n1 ZINC000737323985 999597502 /nfs/dbraw/zinc/59/75/02/999597502.db2.gz ZLYIFICOGPCNAI-LLVKDONJSA-N -1 0 364.390 2.638 20 30 FFEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCOCC2)cc1 ZINC000744022312 999840592 /nfs/dbraw/zinc/84/05/92/999840592.db2.gz LICCXTCKOFRKPD-GOSISDBHSA-N -1 0 358.438 2.873 20 30 FFEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccccc1 ZINC000766987677 1000094160 /nfs/dbraw/zinc/09/41/60/1000094160.db2.gz BQXXSKZEPMKESQ-INIZCTEOSA-N -1 0 372.446 2.956 20 30 FFEDRM Cc1cc(C)c(NC(=O)/C=C/C(=O)c2ccccc2)c(S(=O)(=O)[O-])c1 ZINC001144709226 1000208644 /nfs/dbraw/zinc/20/86/44/1000208644.db2.gz YYNMTESLMBWZDV-CMDGGOBGSA-N -1 0 359.403 2.928 20 30 FFEDRM C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](CC)OC[C@H]3C)cc2[n-]c1=S ZINC000846434796 1000292241 /nfs/dbraw/zinc/29/22/41/1000292241.db2.gz SHCLMOOIOAQMFE-OCCSQVGLSA-N -1 0 373.478 2.511 20 30 FFEDRM CC1(C)c2cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)ccc2NC1=O ZINC000768762402 1000332398 /nfs/dbraw/zinc/33/23/98/1000332398.db2.gz GLUFVKHEOGWATE-OAHLLOKOSA-N -1 0 361.401 2.555 20 30 FFEDRM N=C(Nc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl)c1ccc(C(N)=O)cc1 ZINC001171261316 1000530651 /nfs/dbraw/zinc/53/06/51/1000530651.db2.gz WTHCLSDCJHKHDO-UHFFFAOYSA-N 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1001605154 /nfs/dbraw/zinc/60/51/54/1001605154.db2.gz DYICCGQHATYERB-HNNXBMFYSA-N -1 0 374.391 2.909 20 30 FFEDRM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)n1 ZINC000786557695 1001605725 /nfs/dbraw/zinc/60/57/25/1001605725.db2.gz IINTYIXHKFILIW-CQSZACIVSA-N -1 0 373.359 2.786 20 30 FFEDRM CC(=O)c1cccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c1 ZINC000786560309 1001606672 /nfs/dbraw/zinc/60/66/72/1001606672.db2.gz BBAUAPWRHYDNCK-MRXNPFEDSA-N -1 0 356.328 2.806 20 30 FFEDRM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cn1 ZINC000786561672 1001607274 /nfs/dbraw/zinc/60/72/74/1001607274.db2.gz GKGXSHMUMHENAM-HNNXBMFYSA-N -1 0 373.359 2.786 20 30 FFEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)cnn1C(C)(C)C ZINC000786562718 1001608019 /nfs/dbraw/zinc/60/80/19/1001608019.db2.gz ZMCGKKJWBMGNEO-AWEZNQCLSA-N -1 0 374.391 2.864 20 30 FFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1)c1ccccc1 ZINC000787038366 1001655591 /nfs/dbraw/zinc/65/55/91/1001655591.db2.gz BUJXGEQEPWQAHH-SJORKVTESA-N -1 0 361.405 2.628 20 30 FFEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cncc(COC)c1)c1ccccc1 ZINC000787046722 1001656173 /nfs/dbraw/zinc/65/61/73/1001656173.db2.gz RIDRKHRFRBDOKL-ZWKOTPCHSA-N -1 0 351.406 2.818 20 30 FFEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1)c1ccccc1 ZINC000787047761 1001656229 /nfs/dbraw/zinc/65/62/29/1001656229.db2.gz YOBJDXHULCADPT-ROUUACIJSA-N -1 0 373.416 2.857 20 30 FFEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)C(=O)N(C)Cc3ccccc3)n[nH]2)o1 ZINC000787069621 1001657756 /nfs/dbraw/zinc/65/77/56/1001657756.db2.gz AIWMZTLPQBGMKK-HNNXBMFYSA-N -1 0 362.389 2.959 20 30 FFEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C)c1F ZINC000787066869 1001657829 /nfs/dbraw/zinc/65/78/29/1001657829.db2.gz WHEOBYNZDIWRGO-MRXNPFEDSA-N -1 0 369.352 2.990 20 30 FFEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000787071165 1001658655 /nfs/dbraw/zinc/65/86/55/1001658655.db2.gz LKFYVQXKBMYGSD-AWEZNQCLSA-N -1 0 366.808 2.969 20 30 FFEDRM 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Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3C#N)cc2c1C ZINC001317864104 1045155889 /nfs/dbraw/zinc/15/58/89/1045155889.db2.gz NPYRCIPDRJQJRD-UHFFFAOYSA-N -1 0 353.403 2.775 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(OC2CCCC2)cc1 ZINC001317879219 1045159731 /nfs/dbraw/zinc/15/97/31/1045159731.db2.gz ZZDOGPMQQBNHCV-UHFFFAOYSA-N -1 0 370.430 2.998 20 30 FFEDRM CC(C)(C)O[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC001319571180 1045199161 /nfs/dbraw/zinc/19/91/61/1045199161.db2.gz BOCMOCSYGFSRGK-KRWDZBQOSA-N -1 0 372.446 2.920 20 30 FFEDRM CCc1ccc(-c2nnc(S(=O)(=O)Cc3ccc(C#N)cc3)[n-]2)cc1 ZINC001320861672 1045483635 /nfs/dbraw/zinc/48/36/35/1045483635.db2.gz DAFZLENRMHJPFH-UHFFFAOYSA-N -1 0 352.419 2.880 20 30 FFEDRM Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC001321787864 1045801845 /nfs/dbraw/zinc/80/18/45/1045801845.db2.gz FIQAADLZEVDECF-UHFFFAOYSA-N -1 0 369.377 2.673 20 30 FFEDRM COc1cc(C(C)=NNC(=S)NC(C)C)ccc1OCCCC(=O)[O-] ZINC001324190978 1045910699 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C=CCC1(CNC(=O)C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CCCC1 ZINC001588767050 1080185206 /nfs/dbraw/zinc/18/52/06/1080185206.db2.gz GHJUUOPFCNDOEK-UHFFFAOYSA-N -1 0 366.364 2.854 20 30 FFEDRM C=CCC[C@H](NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588779413 1080191861 /nfs/dbraw/zinc/19/18/61/1080191861.db2.gz XORGRPSCUOREJO-HOTGVXAUSA-N -1 0 369.425 2.640 20 30 FFEDRM C=CCC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588782191 1080192968 /nfs/dbraw/zinc/19/29/68/1080192968.db2.gz RXTQZHBWBWYIBN-JTQLQIEISA-N -1 0 352.337 2.559 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C(=O)[O-] ZINC001588789120 1080196430 /nfs/dbraw/zinc/19/64/30/1080196430.db2.gz YQWPUBMLQSCIRM-RBSFLKMASA-N -1 0 368.474 2.805 20 30 FFEDRM C=CCCC[C@@H](NC(=O)Cc1ccc(Br)cc1O)C(=O)[O-] ZINC001588789009 1080196879 /nfs/dbraw/zinc/19/68/79/1080196879.db2.gz UWWCAFIJHAOYLW-GFCCVEGCSA-N -1 0 356.216 2.623 20 30 FFEDRM C=CCCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001588789876 1080197667 /nfs/dbraw/zinc/19/76/67/1080197667.db2.gz LTSSMNHVCYXIEC-HZPDHXFCSA-N -1 0 366.845 2.833 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cccc(CNc2ccncn2)c1)C(=O)[O-] ZINC001588793615 1080198764 /nfs/dbraw/zinc/19/87/64/1080198764.db2.gz UTDXXKFETCHXCU-INIZCTEOSA-N -1 0 354.410 2.628 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1ccccc1[S@@](=O)C(F)(F)F)C(=O)[O-] ZINC001588792853 1080198890 /nfs/dbraw/zinc/19/88/90/1080198890.db2.gz GSGJIVLVGSAKQM-YDGUKXNOSA-N -1 0 363.357 2.853 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2)C(=O)[O-] ZINC001588798181 1080200278 /nfs/dbraw/zinc/20/02/78/1080200278.db2.gz WPWRFTKKXMFBJS-VIFPVBQESA-N -1 0 356.304 2.516 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(C)C)C(=O)[O-] ZINC001588798766 1080201746 /nfs/dbraw/zinc/20/17/46/1080201746.db2.gz QTKONCJGPVQBPK-CYBMUJFWSA-N -1 0 359.419 2.701 20 30 FFEDRM C=CCN(C(=O)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)C ZINC001588819725 1080207664 /nfs/dbraw/zinc/20/76/64/1080207664.db2.gz ARAMOJXUAWHOEP-UHFFFAOYSA-N -1 0 350.440 2.615 20 30 FFEDRM C=CCN([C@@H](C)COC)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588822768 1080208518 /nfs/dbraw/zinc/20/85/18/1080208518.db2.gz OOTBMEYICVCTEI-QMMMGPOBSA-N -1 0 367.876 2.620 20 30 FFEDRM C=CCN1C(=O)N[C@@H](c2ccc(OC(F)F)c(OC)c2)C(C(=O)[O-])=C1C ZINC001588832264 1080212110 /nfs/dbraw/zinc/21/21/10/1080212110.db2.gz KHFILSIMKQAKLI-AWEZNQCLSA-N -1 0 368.336 2.908 20 30 FFEDRM C=CCOC[C@@H](NC(=O)C/C=C\c1ccc(Br)cc1)C(=O)[O-] ZINC001588854376 1080219165 /nfs/dbraw/zinc/21/91/65/1080219165.db2.gz YFPQNWPBEBNSAR-VQTKUKTRSA-N -1 0 368.227 2.624 20 30 FFEDRM C=CCOC[C@H](NC(=O)c1c(F)ccc(SCC2CC2)c1F)C(=O)[O-] ZINC001588856051 1080219583 /nfs/dbraw/zinc/21/95/83/1080219583.db2.gz AQVMJBYKQJDJMU-LBPRGKRZSA-N -1 0 371.405 2.853 20 30 FFEDRM C=CCOCCNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588869086 1080222158 /nfs/dbraw/zinc/22/21/58/1080222158.db2.gz QZJGYKFZZDKEHE-UHFFFAOYSA-N -1 0 357.204 2.780 20 30 FFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001588878782 1080230235 /nfs/dbraw/zinc/23/02/35/1080230235.db2.gz IFWKBUSVGFMYMV-GOEBONIOSA-N -1 0 369.421 2.810 20 30 FFEDRM C=CCc1cc([C@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)[O-])cc(OC)c1O ZINC001588885429 1080234067 /nfs/dbraw/zinc/23/40/67/1080234067.db2.gz KJERPAYUKWLXPV-MRXNPFEDSA-N -1 0 358.394 2.717 20 30 FFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1nn(C)c2c1CCCC2 ZINC001588885456 1080234084 /nfs/dbraw/zinc/23/40/84/1080234084.db2.gz RVBBRTFBGBGEDU-UHFFFAOYSA-N -1 0 370.405 2.953 20 30 FFEDRM C=CCn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588887027 1080234615 /nfs/dbraw/zinc/23/46/15/1080234615.db2.gz ZAFDLQCTTZHUGH-UHFFFAOYSA-N -1 0 370.457 2.813 20 30 FFEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588889198 1080238070 /nfs/dbraw/zinc/23/80/70/1080238070.db2.gz OGLNVJKDODGLFA-JKSUJKDBSA-N -1 0 363.421 2.764 20 30 FFEDRM C=CCn1c(-c2ncoc2-c2ccco2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588891481 1080239058 /nfs/dbraw/zinc/23/90/58/1080239058.db2.gz MEYGPMUFDXHXDE-UHFFFAOYSA-N -1 0 369.381 2.680 20 30 FFEDRM C=CCn1c([C@@H](C)CCC#N)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588895521 1080245663 /nfs/dbraw/zinc/24/56/63/1080245663.db2.gz HWDGMBVACVIWAZ-ZDUSSCGKSA-N -1 0 366.425 2.527 20 30 FFEDRM C=CCn1c([C@H]2COc3ccccc32)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588898400 1080247143 /nfs/dbraw/zinc/24/71/43/1080247143.db2.gz XGQVPUORWRRXJN-YWZLYKJASA-N -1 0 368.437 2.680 20 30 FFEDRM C=CCn1c(Cc2ncccc2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588904471 1080253676 /nfs/dbraw/zinc/25/36/76/1080253676.db2.gz SRUBAOFMVZJDKQ-MRXNPFEDSA-N -1 0 369.469 2.840 20 30 FFEDRM C=CCn1c([C@H]2CCCO2)nnc1N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588909987 1080257916 /nfs/dbraw/zinc/25/79/16/1080257916.db2.gz FBAVDWNCFADPSY-MRXNPFEDSA-N -1 0 354.410 2.577 20 30 FFEDRM CC(=NNc1ccc(C)c(C(=O)[O-])c1)c1cccc(OCC(=O)N(C)C)c1 ZINC001589016547 1080306130 /nfs/dbraw/zinc/30/61/30/1080306130.db2.gz YLOICGVUVIBBBS-UHFFFAOYSA-N -1 0 369.421 2.996 20 30 FFEDRM CC(=NOCC(=O)N(C)Cc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589017185 1080307812 /nfs/dbraw/zinc/30/78/12/1080307812.db2.gz AOSVKVQHVGBBHW-UHFFFAOYSA-N -1 0 370.405 2.549 20 30 FFEDRM C[C@@H](CN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C(=O)[O-] ZINC001589028250 1080312998 /nfs/dbraw/zinc/31/29/98/1080312998.db2.gz AHDSMSGDNHBVHA-LBPRGKRZSA-N -1 0 354.366 2.930 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001589189218 1080403946 /nfs/dbraw/zinc/40/39/46/1080403946.db2.gz YCZCQKABMYFBMA-IBGZPJMESA-N -1 0 351.362 2.825 20 30 FFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001589214280 1080423279 /nfs/dbraw/zinc/42/32/79/1080423279.db2.gz ZTBAEBMXOBEFJU-XHDPSFHLSA-N -1 0 351.200 2.631 20 30 FFEDRM CC(C)(C)c1csc(NC(=O)c2cccc(C#N)n2)c1-c1nn[nH]n1 ZINC001589236851 1080438725 /nfs/dbraw/zinc/43/87/25/1080438725.db2.gz BGZRSFXRCIWYEX-UHFFFAOYSA-N -1 0 353.411 2.745 20 30 FFEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)OCC ZINC001589371239 1080506489 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N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)o1 ZINC000288483259 257194370 /nfs/dbraw/zinc/19/43/70/257194370.db2.gz LJIRTZXMPQYHLT-CQSZACIVSA-N -1 0 358.379 2.680 20 30 FFEDRM Cn1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1C1CC1 ZINC000290605361 257345413 /nfs/dbraw/zinc/34/54/13/257345413.db2.gz ZMWGCFQTJQZTBH-UHFFFAOYSA-N -1 0 370.356 2.989 20 30 FFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1C#N ZINC000366834682 512208331 /nfs/dbraw/zinc/20/83/31/512208331.db2.gz VIVDRMRTVJLRJX-GOSISDBHSA-N -1 0 372.384 2.718 20 30 FFEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3c(C#N)cnn3C)c2)n1 ZINC000410345368 512243222 /nfs/dbraw/zinc/24/32/22/512243222.db2.gz QRXGLXABQAHDED-UHFFFAOYSA-N -1 0 359.436 2.525 20 30 FFEDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000410402209 512254889 /nfs/dbraw/zinc/25/48/89/512254889.db2.gz BBHWAZJAQLBWRL-UHFFFAOYSA-N -1 0 353.381 2.727 20 30 FFEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000041507445 506525529 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C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057753563 507322954 /nfs/dbraw/zinc/32/29/54/507322954.db2.gz HVVULWZRJYHXQD-LLVKDONJSA-N -1 0 350.334 2.720 20 30 FFEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1 ZINC000030530827 507809910 /nfs/dbraw/zinc/80/99/10/507809910.db2.gz BFCPPNMNCAINBM-UHFFFAOYSA-N -1 0 355.419 2.595 20 30 FFEDRM CSc1[n-]c(=O)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C#N ZINC000080157714 508045395 /nfs/dbraw/zinc/04/53/95/508045395.db2.gz FFYDFQBTTWYTHX-INIZCTEOSA-N -1 0 368.462 2.510 20 30 FFEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(Cc3ccccn3)nn2)n1 ZINC000080452179 508074843 /nfs/dbraw/zinc/07/48/43/508074843.db2.gz BKEOXMSDNXNKJY-CYBMUJFWSA-N -1 0 352.423 2.791 20 30 FFEDRM C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000075276771 508093251 /nfs/dbraw/zinc/09/32/51/508093251.db2.gz VMURSZHYZKIPTH-NSHDSACASA-N -1 0 361.398 2.560 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2O)cc1 ZINC000094259815 508171523 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CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000779319309 738455038 /nfs/dbraw/zinc/45/50/38/738455038.db2.gz SNGDJXUNMZZQJH-UHFFFAOYSA-N -1 0 355.485 2.548 20 30 FFEDRM N#Cc1c(C(F)(F)F)cc(=O)[n-]c1SCC(=O)O[C@H]1CCCCC1=O ZINC000925041224 738473458 /nfs/dbraw/zinc/47/34/58/738473458.db2.gz JAPMXNNSLRKWON-NSHDSACASA-N -1 0 374.340 2.825 20 30 FFEDRM C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000644629148 730488928 /nfs/dbraw/zinc/48/89/28/730488928.db2.gz IGMPQCFKRQLZNB-GFCCVEGCSA-N -1 0 351.346 2.717 20 30 FFEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000860548883 730523196 /nfs/dbraw/zinc/52/31/96/730523196.db2.gz DRCSNIRINNZNSW-UHFFFAOYSA-N -1 0 356.394 2.887 20 30 FFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CCCCCCSC ZINC000860664024 730535429 /nfs/dbraw/zinc/53/54/29/730535429.db2.gz ZLZVNCBEHLTUJN-UHFFFAOYSA-N -1 0 370.496 2.685 20 30 FFEDRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C1(C)C ZINC000861013332 730567150 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CSc1[n-]c(=O)c(C(=O)Nc2ccnn2-c2cccc(F)c2)cc1C#N ZINC001517002447 1060298876 /nfs/dbraw/zinc/29/88/76/1060298876.db2.gz OFGIGBOZKWTPJM-UHFFFAOYSA-N -1 0 369.381 2.958 20 30 FFEDRM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)OCC)C3)n2C)c1O ZINC001355746287 1060556220 /nfs/dbraw/zinc/55/62/20/1060556220.db2.gz RSPBWCUHHSRQIR-OAHLLOKOSA-N -1 0 370.453 2.696 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](c2ncc[nH]2)c2ccc(F)cc2)c(F)c1 ZINC001475494387 1061113303 /nfs/dbraw/zinc/11/33/03/1061113303.db2.gz OHAJXBWLRJYQSN-INIZCTEOSA-N -1 0 374.372 2.627 20 30 FFEDRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)COc1ccc(C#N)cc1 ZINC001526765798 1061253439 /nfs/dbraw/zinc/25/34/39/1061253439.db2.gz IHCNTTSLDUNFAC-QGZVFWFLSA-N -1 0 367.405 2.728 20 30 FFEDRM N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1 ZINC001463875485 1062309429 /nfs/dbraw/zinc/30/94/29/1062309429.db2.gz WKVAYRAUINSUTR-UHFFFAOYSA-N -1 0 361.323 2.644 20 30 FFEDRM C#C[C@@H](NS(=O)(=O)c1c([O-])cccc1OC(F)(F)F)c1ccccc1 ZINC001463943568 1062344615 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C#C[C@@H](CCC)NC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001573302910 1077664613 /nfs/dbraw/zinc/66/46/13/1077664613.db2.gz RWKWCCMDDONXMP-JTQLQIEISA-N -1 0 351.790 2.920 20 30 FFEDRM C#CCOc1cccc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001573327582 1077670891 /nfs/dbraw/zinc/67/08/91/1077670891.db2.gz ROQQBLCXYGHUNR-FQEVSTJZSA-N -1 0 352.390 2.863 20 30 FFEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001573364839 1077683567 /nfs/dbraw/zinc/68/35/67/1077683567.db2.gz CPNRWBCOJXQRHC-CYBMUJFWSA-N -1 0 350.396 2.749 20 30 FFEDRM C=CCCC[C@H](NS(=O)(=O)CCC1Cc2ccccc2C1)C(=O)[O-] ZINC001573366185 1077684224 /nfs/dbraw/zinc/68/42/24/1077684224.db2.gz KGTDDKYIQBWAEI-KRWDZBQOSA-N -1 0 351.468 2.520 20 30 FFEDRM C=CCNC(=O)c1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC001573368807 1077684309 /nfs/dbraw/zinc/68/43/09/1077684309.db2.gz RVZCSPFSUVYQOY-DYESRHJHSA-N -1 0 364.401 2.799 20 30 FFEDRM C=CCn1ncc2ccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)cc21 ZINC001573379176 1077688038 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ZINC001588644136 1080135970 /nfs/dbraw/zinc/13/59/70/1080135970.db2.gz DJQNQQJAGFZFLR-OAHLLOKOSA-N -1 0 366.458 2.655 20 30 FFEDRM C=C1C[C@H]2CC[C@@H](C1)N2c1nc(NC2(C(=O)[O-])CCCCC2)nc(OC)n1 ZINC001588644143 1080136622 /nfs/dbraw/zinc/13/66/22/1080136622.db2.gz DNQSPHZKSNWGTI-OKILXGFUSA-N -1 0 373.457 2.767 20 30 FFEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001588676936 1080150456 /nfs/dbraw/zinc/15/04/56/1080150456.db2.gz LLGGGKSQNHHQAZ-UHFFFAOYSA-N -1 0 355.456 2.593 20 30 FFEDRM C=CCn1c(CC(C)(C)C)nnc1N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001588703310 1080161898 /nfs/dbraw/zinc/16/18/98/1080161898.db2.gz MZNGISGWESRQFK-UHFFFAOYSA-N -1 0 364.457 2.753 20 30 FFEDRM C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588736264 1080176340 /nfs/dbraw/zinc/17/63/40/1080176340.db2.gz FYHQLGZBZLFUJY-CQSZACIVSA-N -1 0 357.458 2.797 20 30 FFEDRM C=CC[C@H](NC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)c1ccncc1 ZINC001588742693 1080178355 /nfs/dbraw/zinc/17/83/55/1080178355.db2.gz 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C=CCC1(CNC(=O)C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CCCC1 ZINC001588766964 1080185467 /nfs/dbraw/zinc/18/54/67/1080185467.db2.gz ATTXJICOBRRYKS-UHFFFAOYSA-N -1 0 374.437 2.722 20 30 FFEDRM C=CCC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC)C(=O)OCC ZINC001588778973 1080191780 /nfs/dbraw/zinc/19/17/80/1080191780.db2.gz PICDJZIRPKXOIA-CYBMUJFWSA-N -1 0 350.415 2.602 20 30 FFEDRM C=CCC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588779071 1080192320 /nfs/dbraw/zinc/19/23/20/1080192320.db2.gz SBZMKSOMZMZPDQ-ZDUSSCGKSA-N -1 0 372.343 2.554 20 30 FFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC001588781204 1080193679 /nfs/dbraw/zinc/19/36/79/1080193679.db2.gz LGXPFEJUMSFKJC-UHFFFAOYSA-N -1 0 362.737 2.561 20 30 FFEDRM C=CCCC[C@H](NC(=O)CCC(=O)Nc1c(F)cccc1F)C(=O)[O-] ZINC001588788972 1080196380 /nfs/dbraw/zinc/19/63/80/1080196380.db2.gz TUWLOZQWNBMRSQ-ZDUSSCGKSA-N -1 0 354.353 2.609 20 30 FFEDRM C=CCCC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ccccc1 ZINC001588788757 1080196478 /nfs/dbraw/zinc/19/64/78/1080196478.db2.gz MWTBNGXUHCSSGB-DLBZAZTESA-N -1 0 358.438 2.523 20 30 FFEDRM C=CCCC[C@@H](NC(=O)CC1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588789692 1080196842 /nfs/dbraw/zinc/19/68/42/1080196842.db2.gz HZWWAXWASIXEAF-JXQTWKCFSA-N -1 0 354.447 2.606 20 30 FFEDRM C=CCCC[C@@H](NC(=O)c1cnc(OCc2ccccc2)cn1)C(=O)[O-] ZINC001588792746 1080198714 /nfs/dbraw/zinc/19/87/14/1080198714.db2.gz CZWLPEVNNATSIC-OAHLLOKOSA-N -1 0 355.394 2.595 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)C(=O)[O-] ZINC001588793538 1080198859 /nfs/dbraw/zinc/19/88/59/1080198859.db2.gz ZFSYRDWBIMKENU-AWEZNQCLSA-N -1 0 373.409 2.633 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1cn(C)nc1-c1cc(F)ccc1F)C(=O)[O-] ZINC001588793649 1080198903 /nfs/dbraw/zinc/19/89/03/1080198903.db2.gz VWISTCXVZNEXOC-HNNXBMFYSA-N -1 0 363.364 2.905 20 30 FFEDRM C=CCCC[C@H](NC(=O)c1nn(CC(C)C)c(=O)c2ccccc21)C(=O)[O-] ZINC001588797250 1080200741 /nfs/dbraw/zinc/20/07/41/1080200741.db2.gz 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C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077882413 728288504 /nfs/dbraw/zinc/28/85/04/728288504.db2.gz LOTLZBQPAAGLJB-ZIAGYGMSSA-N -1 0 360.435 2.852 20 30 FFEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1 ZINC000077881688 728288521 /nfs/dbraw/zinc/28/85/21/728288521.db2.gz WZQBNPXUURTDOK-CYBMUJFWSA-N -1 0 356.407 2.663 20 30 FFEDRM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086054321 728431047 /nfs/dbraw/zinc/43/10/47/728431047.db2.gz PCPRXRZVKAJANB-KRWDZBQOSA-N -1 0 364.467 2.751 20 30 FFEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)N1CCCCC1=O ZINC000088800670 728438418 /nfs/dbraw/zinc/43/84/18/728438418.db2.gz YCBWYOCASJKJTF-CQSZACIVSA-N -1 0 370.446 2.898 20 30 FFEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 ZINC000089963769 728447772 /nfs/dbraw/zinc/44/77/72/728447772.db2.gz OABVVUZCSWHBQL-GFCCVEGCSA-N -1 0 350.465 2.840 20 30 FFEDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC1(Cl)Cl ZINC000097506747 728482929 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N#Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccs2)c(C(F)(F)F)c1 ZINC000127472621 728706416 /nfs/dbraw/zinc/70/64/16/728706416.db2.gz JPYZXIGKMHNGOI-UHFFFAOYSA-N -1 0 374.365 2.686 20 30 FFEDRM COCCOc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000129095563 728710340 /nfs/dbraw/zinc/71/03/40/728710340.db2.gz HGYQPBGGLXJDQG-UHFFFAOYSA-N -1 0 368.361 2.662 20 30 FFEDRM C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000130024629 728714630 /nfs/dbraw/zinc/71/46/30/728714630.db2.gz XIAZLUBQOMMAQA-SECBINFHSA-N -1 0 358.199 2.733 20 30 FFEDRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151730879 728746652 /nfs/dbraw/zinc/74/66/52/728746652.db2.gz VIWCKDSYTOHQPT-SNAWJCMRSA-N -1 0 371.256 2.728 20 30 FFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(CCC(F)(F)F)cc1 ZINC000152167508 728749033 /nfs/dbraw/zinc/74/90/33/728749033.db2.gz MFBCIGPKXZWTKY-AWEZNQCLSA-N -1 0 356.344 2.657 20 30 FFEDRM CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172544758 729027774 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C=CCOC[C@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262884070 729673374 /nfs/dbraw/zinc/67/33/74/729673374.db2.gz CKBYBRVSYOWMQF-HZMBPMFUSA-N -1 0 360.237 2.944 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262884075 729673488 /nfs/dbraw/zinc/67/34/88/729673488.db2.gz CKBYBRVSYOWMQF-YGRLFVJLSA-N -1 0 360.237 2.944 20 30 FFEDRM C=CCC[C@H](NC(=O)c1csc(I)c1)C(=O)[O-] ZINC000262930286 729674418 /nfs/dbraw/zinc/67/44/18/729674418.db2.gz OWEKPYNGZGDPMR-QMMMGPOBSA-N -1 0 365.192 2.502 20 30 FFEDRM C=CCOC[C@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263015117 729676390 /nfs/dbraw/zinc/67/63/90/729676390.db2.gz NKDIKHHTVDVLNS-RISCZKNCSA-N -1 0 359.344 2.656 20 30 FFEDRM N#CCCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000427636685 729866881 /nfs/dbraw/zinc/86/68/81/729866881.db2.gz CPSCWIZKTDSYCG-UHFFFAOYSA-N -1 0 363.826 2.784 20 30 FFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCCC1 ZINC000779314672 738454355 /nfs/dbraw/zinc/45/43/55/738454355.db2.gz KZSZCSBWVXCUPM-OLZOCXBDSA-N -1 0 368.405 2.598 20 30 FFEDRM C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)c1cccc(F)c1 ZINC000779317581 738455037 /nfs/dbraw/zinc/45/50/37/738455037.db2.gz IIGPEHGAHCTLIP-CYBMUJFWSA-N -1 0 352.431 2.849 20 30 FFEDRM C#CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000761289499 736718083 /nfs/dbraw/zinc/71/80/83/736718083.db2.gz SGAHTCMVBGGKRU-HNNXBMFYSA-N -1 0 365.357 2.706 20 30 FFEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1ccccc1 ZINC000761289479 736718202 /nfs/dbraw/zinc/71/82/02/736718202.db2.gz QWKLZJRZGVGLHH-CQSZACIVSA-N -1 0 365.357 2.706 20 30 FFEDRM C=CCCO[N-]C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000856028771 730299742 /nfs/dbraw/zinc/29/97/42/730299742.db2.gz PEBUWYKPXGGPBU-UHFFFAOYSA-N -1 0 358.467 2.920 20 30 FFEDRM O=S(=O)([N-]CC[C@@H]1CC1(F)F)c1c(F)c(F)c(F)c(F)c1F ZINC000856747895 730353990 /nfs/dbraw/zinc/35/39/90/730353990.db2.gz PVOLRFFMMPXITA-SCSAIBSYSA-N -1 0 351.243 2.706 20 30 FFEDRM COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCCC1 ZINC000857019045 730372956 /nfs/dbraw/zinc/37/29/56/730372956.db2.gz PLXCYFDPBBDLMP-UHFFFAOYSA-N -1 0 356.488 2.503 20 30 FFEDRM Cn1cc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)c(Cl)n1 ZINC000857201383 730384843 /nfs/dbraw/zinc/38/48/43/730384843.db2.gz AKNUNZATMGFTHG-HWKANZROSA-N -1 0 361.829 2.507 20 30 FFEDRM N#Cc1c(C(F)(F)F)cc(=O)[n-]c1SCC(=O)O[C@@H]1CCCCC1=O ZINC000925041223 738473501 /nfs/dbraw/zinc/47/35/01/738473501.db2.gz JAPMXNNSLRKWON-LLVKDONJSA-N -1 0 374.340 2.825 20 30 FFEDRM CC[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861014655 730567435 /nfs/dbraw/zinc/56/74/35/730567435.db2.gz QDDIXLVFCLOBQS-UKRRQHHQSA-N -1 0 352.431 2.860 20 30 FFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC)C(=O)[O-] ZINC000646044609 730631339 /nfs/dbraw/zinc/63/13/39/730631339.db2.gz CSEUOZIIYHVDBV-ZDUSSCGKSA-N -1 0 355.456 2.690 20 30 FFEDRM N#CC(=C([O-])c1ccn(CCn2cccn2)n1)c1nc(C2CC2)cs1 ZINC000647380136 730739668 /nfs/dbraw/zinc/73/96/68/730739668.db2.gz MYFVULAUHMDPLC-ZDUSSCGKSA-N -1 0 352.423 2.604 20 30 FFEDRM CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863131203 730752146 /nfs/dbraw/zinc/75/21/46/730752146.db2.gz ZTNSLKUMYAJGGV-SECBINFHSA-N -1 0 351.255 2.590 20 30 FFEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000863419860 730778587 /nfs/dbraw/zinc/77/85/87/730778587.db2.gz GXIYJJSCUUADNX-JTQLQIEISA-N -1 0 370.279 2.936 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(=O)[O-] ZINC000864184180 730828971 /nfs/dbraw/zinc/82/89/71/730828971.db2.gz OYCXJPDDWAJKLN-GFCCVEGCSA-N -1 0 352.774 2.511 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(C)n(C[C@@H]2CCCOC2)c1C)C(=O)[O-] ZINC000864189894 730829596 /nfs/dbraw/zinc/82/95/96/730829596.db2.gz WALGXVVRGMQLDZ-GOEBONIOSA-N -1 0 368.861 2.857 20 30 FFEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccnc(N3CCSCC3)c2)c1 ZINC000864346824 730840716 /nfs/dbraw/zinc/84/07/16/730840716.db2.gz DZQVHEAHPYPBNG-PDGQHHTCSA-N -1 0 358.423 2.868 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)NCCc1nsc2ccccc12)C(=O)[O-] ZINC000864529131 730857478 /nfs/dbraw/zinc/85/74/78/730857478.db2.gz CUEGMOHLRPLRJQ-LBPRGKRZSA-N -1 0 353.831 2.734 20 30 FFEDRM C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC)cc1OC)C(=O)[O-] ZINC000864535399 730857679 /nfs/dbraw/zinc/85/76/79/730857679.db2.gz FXEOPZWVNSTSDX-GXFFZTMASA-N -1 0 356.806 2.660 20 30 FFEDRM C=C(Cl)C[C@H](NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000864582014 730861564 /nfs/dbraw/zinc/86/15/64/730861564.db2.gz MMTDGNVICHVVAO-GJZGRUSLSA-N -1 0 368.817 2.962 20 30 FFEDRM N#Cc1cccc([C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)C(F)(F)F)c1 ZINC000864608944 730864856 /nfs/dbraw/zinc/86/48/56/730864856.db2.gz VOXMBOZYRITIAF-CYBMUJFWSA-N -1 0 355.316 2.668 20 30 FFEDRM CCOc1cccc(NC(=S)N2CCc3[n-]c(=O)c(C#N)cc3C2)c1 ZINC000865250944 730930502 /nfs/dbraw/zinc/93/05/02/730930502.db2.gz MBLJCYANRKDYEF-UHFFFAOYSA-N -1 0 354.435 2.813 20 30 FFEDRM CCO[C@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000869881545 731448665 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FFEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001592833793 979572511 /nfs/dbraw/zinc/57/25/11/979572511.db2.gz JZELFJVVMVKKQZ-XCLFUZPHSA-N -1 0 354.381 2.992 20 30 FFEDRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(CC#N)CCC(=O)[O-] ZINC001592839335 979596960 /nfs/dbraw/zinc/59/69/60/979596960.db2.gz LZFGHWHJDDYCNS-SNVBAGLBSA-N -1 0 371.206 2.594 20 30 FFEDRM C[C@H](Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC001592859154 979680328 /nfs/dbraw/zinc/68/03/28/979680328.db2.gz ZUOBVPYAKVXOIH-LLVKDONJSA-N -1 0 369.352 2.538 20 30 FFEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2sccc2C)cc1OC ZINC000128844967 980043824 /nfs/dbraw/zinc/04/38/24/980043824.db2.gz NVMVGQVHVDZEBX-CQSZACIVSA-N -1 0 372.446 2.755 20 30 FFEDRM C=CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C)C(=O)[O-] ZINC000262935795 980172292 /nfs/dbraw/zinc/17/22/92/980172292.db2.gz PKBPYQSMLDPLDC-SJORKVTESA-N -1 0 360.454 2.675 20 30 FFEDRM CCC1(CC)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCS1 ZINC001595375640 980897841 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FFEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001598436040 991824170 /nfs/dbraw/zinc/82/41/70/991824170.db2.gz BNPKNFCXGQIKPC-MRXNPFEDSA-N -1 0 357.341 2.593 20 30 FFEDRM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598436126 991825659 /nfs/dbraw/zinc/82/56/59/991825659.db2.gz CBZDTSSOMIGNDP-INIZCTEOSA-N -1 0 357.341 2.593 20 30 FFEDRM C[C@@H]1CN(Cc2c(F)c(F)c(F)c(F)c2F)C[C@H]1[N-]C(=O)C(F)F ZINC001079331938 992003967 /nfs/dbraw/zinc/00/39/67/992003967.db2.gz UHACCXIKCNBENP-IYSWYEEDSA-N -1 0 358.257 2.584 20 30 FFEDRM Cc1ccc(C(=O)c2ccccc2C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000183143888 992368106 /nfs/dbraw/zinc/36/81/06/992368106.db2.gz IVJVHNDONCETML-UHFFFAOYSA-N -1 0 370.430 2.589 20 30 FFEDRM CC(C)Cn1c(N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001591516560 992683649 /nfs/dbraw/zinc/68/36/49/992683649.db2.gz VDXMHMYOGCMWLU-LIRRHRJNSA-N -1 0 359.474 2.816 20 30 FFEDRM CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598547372 992961459 /nfs/dbraw/zinc/96/14/59/992961459.db2.gz RVOULMLQMXKNHK-LICLKQGHSA-N -1 0 368.389 2.750 20 30 FFEDRM C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1ccc(OCC(=O)[O-])cc1 ZINC001593140509 993922355 /nfs/dbraw/zinc/92/23/55/993922355.db2.gz KATNSTJDPIUJKF-GFCCVEGCSA-N -1 0 363.373 2.994 20 30 FFEDRM C[C@@H](NC(=S)NN=Cc1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC001593190009 994116832 /nfs/dbraw/zinc/11/68/32/994116832.db2.gz JTVHQBDZEVNYFP-MRVPVSSYSA-N -1 0 370.272 2.744 20 30 FFEDRM COc1cccc(C[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C(=O)[O-])c1 ZINC001599669487 994785950 /nfs/dbraw/zinc/78/59/50/994785950.db2.gz SWYJNPMIRNULFN-SFHVURJKSA-N -1 0 364.401 2.676 20 30 FFEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000810777265 994926623 /nfs/dbraw/zinc/92/66/23/994926623.db2.gz XWLHYEVNKJHAGG-UHFFFAOYSA-N -1 0 364.426 2.985 20 30 FFEDRM CC#CCS(=O)(=O)[N-]C(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC000810776726 994926990 /nfs/dbraw/zinc/92/69/90/994926990.db2.gz FQUHAOWITHQMQZ-UHFFFAOYSA-N -1 0 373.430 2.635 20 30 FFEDRM C#CCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1CC)c1ccccc1 ZINC000810779217 994927991 /nfs/dbraw/zinc/92/79/91/994927991.db2.gz DDUPNOHECMAHNP-IBGZPJMESA-N -1 0 371.458 2.838 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000810981656 994989628 /nfs/dbraw/zinc/98/96/28/994989628.db2.gz DZJKFOXDOSZRDN-UHFFFAOYSA-N -1 0 371.462 2.918 20 30 FFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(-c3ccccc3)c2CCC)CC1 ZINC000810984987 994994314 /nfs/dbraw/zinc/99/43/14/994994314.db2.gz SUBXICHKYIGZPD-UHFFFAOYSA-N -1 0 373.478 2.993 20 30 FFEDRM C[C@@H](Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(=O)Nc1ccccc1C#N ZINC001593363569 995037583 /nfs/dbraw/zinc/03/75/83/995037583.db2.gz UCJMEIUXQBARSN-NEPJUHHUSA-N -1 0 371.368 2.988 20 30 FFEDRM CC(/C=C/C(=O)c1cnc([O-])n(C)c1=O)=C\c1ccccc1OC(F)F ZINC000811694090 995219011 /nfs/dbraw/zinc/21/90/11/995219011.db2.gz SVUYRNRJRXYVHE-MFDVASPDSA-N -1 0 362.332 2.930 20 30 FFEDRM COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001598715804 995406561 /nfs/dbraw/zinc/40/65/61/995406561.db2.gz PNQRMNVIZTZSCU-GOSISDBHSA-N -1 0 368.389 2.611 20 30 FFEDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)C(=O)N(CCC#N)c1ccccc1 ZINC001593575072 995681072 /nfs/dbraw/zinc/68/10/72/995681072.db2.gz OWDPVAFEXHUFSZ-GFCCVEGCSA-N -1 0 372.402 2.938 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593611590 995809025 /nfs/dbraw/zinc/80/90/25/995809025.db2.gz SNLIYINHTKSEMY-DOXZYTNZSA-N -1 0 366.417 2.774 20 30 FFEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001593624295 995885393 /nfs/dbraw/zinc/88/53/93/995885393.db2.gz JYCWSDFUQRWLRV-NEPJUHHUSA-N -1 0 372.352 2.955 20 30 FFEDRM C[C@@H](Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1F)C(=O)[O-] ZINC001593624298 995885574 /nfs/dbraw/zinc/88/55/74/995885574.db2.gz JYCWSDFUQRWLRV-VXGBXAGGSA-N -1 0 372.352 2.955 20 30 FFEDRM C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001593698660 996166101 /nfs/dbraw/zinc/16/61/01/996166101.db2.gz MAFKBBAPUBNPOJ-CYBMUJFWSA-N -1 0 358.419 2.567 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC001593771445 996464955 /nfs/dbraw/zinc/46/49/55/996464955.db2.gz RTLCGOBLPUYACV-MRXNPFEDSA-N -1 0 353.325 2.878 20 30 FFEDRM C[C@]1(C(=O)[O-])CCCN(c2nnc([C@@H]3C[C@H]3C#N)n2Cc2cccs2)C1 ZINC001593782614 996490660 /nfs/dbraw/zinc/49/06/60/996490660.db2.gz CWBSLGKNTKVVAB-WRSAYESZSA-N -1 0 371.466 2.706 20 30 FFEDRM C[C@]1(C(=O)[O-])CCN(c2nnc(CCCCC#N)n2Cc2cccs2)C1 ZINC001593801024 996522343 /nfs/dbraw/zinc/52/23/43/996522343.db2.gz KWYYUSLYTZWLKS-SFHVURJKSA-N -1 0 373.482 2.925 20 30 FFEDRM CC(C)(C#N)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CCc1ccccc1 ZINC001593802756 996530170 /nfs/dbraw/zinc/53/01/70/996530170.db2.gz XUUFUGMGXJAINR-HXUWFJFHSA-N -1 0 367.453 2.623 20 30 FFEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)cc1OC ZINC000729888126 996742741 /nfs/dbraw/zinc/74/27/41/996742741.db2.gz HOBUXAVCVINASD-GFCCVEGCSA-N -1 0 371.418 2.999 20 30 FFEDRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)Nc1cc(F)cc(C#N)c1)CC2 ZINC001599497301 997041588 /nfs/dbraw/zinc/04/15/88/997041588.db2.gz CBIPRIWYTKAJJD-UHFFFAOYSA-N -1 0 369.352 2.994 20 30 FFEDRM C#C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CCOCC1 ZINC000824692398 997056045 /nfs/dbraw/zinc/05/60/45/997056045.db2.gz DFYCGFBKMKJBQZ-KRWDZBQOSA-N -1 0 353.374 2.623 20 30 FFEDRM COc1cc(/C=C\C(=O)[O-])ccc1OS(=O)(=O)c1ccc(CC#N)cc1 ZINC001599399496 997188864 /nfs/dbraw/zinc/18/88/64/997188864.db2.gz MCLDHWJICNJJKF-UITAMQMPSA-N -1 0 373.386 2.627 20 30 FFEDRM N#Cc1cccc(C2(NC(=O)c3cc(F)cc(F)c3[O-])CCOCC2)c1 ZINC000825393488 997359744 /nfs/dbraw/zinc/35/97/44/997359744.db2.gz UUVQBSAXUGIEMK-UHFFFAOYSA-N -1 0 358.344 2.978 20 30 FFEDRM COc1cc(CNC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)ccc1C#N ZINC001599413445 997464092 /nfs/dbraw/zinc/46/40/92/997464092.db2.gz MFBRIEVZWZCAOE-QGZVFWFLSA-N -1 0 367.405 2.891 20 30 FFEDRM CON=Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC001599320827 997577535 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FFEDRM COc1cc(OC)c2ncc(C#N)c(NCc3ccnc(C(=O)[O-])c3)c2c1 ZINC001599449750 998071353 /nfs/dbraw/zinc/07/13/53/998071353.db2.gz OFQPFRYAKFJSGK-UHFFFAOYSA-N -1 0 364.361 2.829 20 30 FFEDRM COc1cc(OC)c2ncc(C#N)c(OCc3cccc(C(=O)[O-])n3)c2c1 ZINC001599450025 998075942 /nfs/dbraw/zinc/07/59/42/998075942.db2.gz ZFIRXXFMPDXTFI-UHFFFAOYSA-N -1 0 365.345 2.796 20 30 FFEDRM COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001599350459 998084700 /nfs/dbraw/zinc/08/47/00/998084700.db2.gz SIRFKXJJAXNUCO-UHFFFAOYSA-N -1 0 368.389 2.740 20 30 FFEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)ccc1=O)c1nc2ccccc2[nH]1 ZINC000731769151 998212901 /nfs/dbraw/zinc/21/29/01/998212901.db2.gz YWYCSICHOGWPBB-CQSZACIVSA-N -1 0 373.347 2.738 20 30 FFEDRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)C#CC(C)(C)C)CC2 ZINC001599464102 998329225 /nfs/dbraw/zinc/32/92/25/998329225.db2.gz AYHKCWCSJHGTCD-OAHLLOKOSA-N -1 0 359.422 2.654 20 30 FFEDRM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000845441738 998540594 /nfs/dbraw/zinc/54/05/94/998540594.db2.gz SIBUYMRXRMHJSK-OAHLLOKOSA-N -1 0 369.421 2.937 20 30 FFEDRM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)C(=O)NCc3ccc(F)cc3F)n21 ZINC000845527103 998576935 /nfs/dbraw/zinc/57/69/35/998576935.db2.gz NSYXJRUMAONFFB-RISCZKNCSA-N -1 0 372.375 2.697 20 30 FFEDRM CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2 ZINC000845528740 998578874 /nfs/dbraw/zinc/57/88/74/998578874.db2.gz LXUKHZRRIKDGCU-QGZVFWFLSA-N -1 0 364.401 2.829 20 30 FFEDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC001594161949 998604172 /nfs/dbraw/zinc/60/41/72/998604172.db2.gz LQOOACSLHJZABK-BLLLJJGKSA-N -1 0 354.362 2.665 20 30 FFEDRM Cn1nc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1OC(F)F ZINC000845845365 998663981 /nfs/dbraw/zinc/66/39/81/998663981.db2.gz NXKQWWXBFAEFEU-LBPRGKRZSA-N -1 0 359.332 2.645 20 30 FFEDRM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000845846172 998666001 /nfs/dbraw/zinc/66/60/01/998666001.db2.gz RQYBPCWWHYFRPO-DZGCQCFKSA-N -1 0 364.367 2.880 20 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CC(=O)Nc1cccc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1C ZINC001589204797 1080417320 /nfs/dbraw/zinc/41/73/20/1080417320.db2.gz DUXWXGDARBEELW-UHFFFAOYSA-N -1 0 352.346 2.880 20 30 FFEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001589214277 1080423084 /nfs/dbraw/zinc/42/30/84/1080423084.db2.gz ZTBAEBMXOBEFJU-IAQYHMDHSA-N -1 0 351.200 2.631 20 30 FFEDRM CC(=O)c1cccc(C#N)c1OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001589306315 1080473830 /nfs/dbraw/zinc/47/38/30/1080473830.db2.gz TUJQBZFEAQONMW-UHFFFAOYSA-N -1 0 352.346 2.501 20 30 FFEDRM C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[C@@H]1C(=O)[O-] ZINC001589393826 1080514441 /nfs/dbraw/zinc/51/44/41/1080514441.db2.gz WKYUJIHQLFLMGY-ONGXEEELSA-N -1 0 351.200 2.504 20 30 FFEDRM CC(C)(C#N)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001589557856 1080604425 /nfs/dbraw/zinc/60/44/25/1080604425.db2.gz IQXYYDZTWQZRTF-SFHVURJKSA-N -1 0 364.401 2.978 20 30 FFEDRM CC(C)CCN(CCC#N)C(=O)c1[nH]c2ccccc2c1-c1nn[nH]n1 ZINC001589600699 1080629878 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C=CCN1CC[C@H](Sc2n[n-]c(=Nc3cccc(F)c3)s2)C1=O ZINC000540769127 516702302 /nfs/dbraw/zinc/70/23/02/516702302.db2.gz OAMDTIRHWWHQCZ-LBPRGKRZSA-N -1 0 350.444 2.722 20 30 FFEDRM N#CC(=C([O-])c1cc(Cc2ccccc2)[nH]n1)c1nnc2n1CCCCC2 ZINC000551507132 516734748 /nfs/dbraw/zinc/73/47/48/516734748.db2.gz LMDJOOROUFOPDG-MRXNPFEDSA-N -1 0 360.421 2.808 20 30 FFEDRM C=C(C)Cn1c([C@@H]2COc3ccccc3O2)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000518699492 516746434 /nfs/dbraw/zinc/74/64/34/516746434.db2.gz MZFQIQRFQDOHKN-INIZCTEOSA-N -1 0 366.425 2.872 20 30 FFEDRM CC1(C)CCC(NS(=O)(=O)c2ccc(C#N)cc2Cl)(C(=O)[O-])CC1 ZINC000541003966 516826696 /nfs/dbraw/zinc/82/66/96/516826696.db2.gz GAOYBCMJZZSQMP-UHFFFAOYSA-N -1 0 370.858 2.914 20 30 FFEDRM CC(C)c1cccc(S(=O)(=O)N(CC(=O)[O-])Cc2cccc(C#N)c2)c1 ZINC000548247312 516848502 /nfs/dbraw/zinc/84/85/02/516848502.db2.gz ICXUHNVPLAMLBO-UHFFFAOYSA-N -1 0 372.446 2.957 20 30 FFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC12CC2 ZINC000529004645 516856882 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C[C@@H](C#N)CSc1ccccc1NC(=O)CSc1n[n-]c(=N)s1 ZINC000521720875 517840482 /nfs/dbraw/zinc/84/04/82/517840482.db2.gz ZJGSCTDYOHXYAV-VIFPVBQESA-N -1 0 365.509 2.933 20 30 FFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000560493085 517847923 /nfs/dbraw/zinc/84/79/23/517847923.db2.gz UCVBWKNEVATIPO-MRVPVSSYSA-N -1 0 355.309 2.542 20 30 FFEDRM C=CCC[C@@H](NC(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2)C(=O)[O-] ZINC000516851529 517870593 /nfs/dbraw/zinc/87/05/93/517870593.db2.gz KPTPLDGVIHHRAK-IUODEOHRSA-N -1 0 362.426 2.627 20 30 FFEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000553756917 517887326 /nfs/dbraw/zinc/88/73/26/517887326.db2.gz JIFXMTIJRBDCQQ-KRWDZBQOSA-N -1 0 370.430 2.991 20 30 FFEDRM C=C(C)COCCNC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000516904858 517902388 /nfs/dbraw/zinc/90/23/88/517902388.db2.gz LLGKJDFSHWACKI-SJLPKXTDSA-N -1 0 360.454 2.842 20 30 FFEDRM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C(F)(F)F)cc1 ZINC000553857413 517936681 /nfs/dbraw/zinc/93/66/81/517936681.db2.gz FMTFYTOSKKEIIN-ZDUSSCGKSA-N -1 0 360.313 2.742 20 30 FFEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCc3ccc(C#N)cc32)c1C ZINC000563510124 517949002 /nfs/dbraw/zinc/94/90/02/517949002.db2.gz XZXRMHRJGLMOTE-UHFFFAOYSA-N -1 0 356.403 2.625 20 30 FFEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn(CC3(C)COC3)nn2)s1 ZINC000517067410 518008286 /nfs/dbraw/zinc/00/82/86/518008286.db2.gz ABXRPNKACNPVPX-LLVKDONJSA-N -1 0 359.455 2.559 20 30 FFEDRM Cc1cccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1C#N ZINC000539463852 518062030 /nfs/dbraw/zinc/06/20/30/518062030.db2.gz JRUFKIURKKDTJY-UHFFFAOYSA-N -1 0 352.419 2.912 20 30 FFEDRM C=CC[C@H](CO)CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000563780178 518120615 /nfs/dbraw/zinc/12/06/15/518120615.db2.gz AKXJORKFFTWZGC-JTQLQIEISA-N -1 0 352.847 2.587 20 30 FFEDRM COc1cc(C#N)ccc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000547414836 518128502 /nfs/dbraw/zinc/12/85/02/518128502.db2.gz QEWLTBZWZLSMLE-UHFFFAOYSA-N -1 0 350.374 2.765 20 30 FFEDRM N#Cc1cc(S(=O)(=O)NCCC2(CC(=O)[O-])CCCCC2)ccc1F ZINC000563868096 518209148 /nfs/dbraw/zinc/20/91/48/518209148.db2.gz LTKCAQLARVMIGU-UHFFFAOYSA-N -1 0 368.430 2.791 20 30 FFEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000584225075 518235899 /nfs/dbraw/zinc/23/58/99/518235899.db2.gz BAFHEFUNPBSFQJ-LBPRGKRZSA-N -1 0 373.272 2.793 20 30 FFEDRM CN(C)c1ccc(-c2cncc(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)c2)cc1 ZINC000572607354 518273958 /nfs/dbraw/zinc/27/39/58/518273958.db2.gz VGBWRGLNWNLTQL-UHFFFAOYSA-N -1 0 372.432 2.961 20 30 FFEDRM Cn1cc(C#N)c(=NC(=O)c2cc(F)c(Br)c(Cl)c2)[n-]1 ZINC000575951023 518356579 /nfs/dbraw/zinc/35/65/79/518356579.db2.gz ZQXXHJRSYJSLNP-UHFFFAOYSA-N -1 0 357.570 2.521 20 30 FFEDRM CCC(CC)(CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C(=O)[O-] ZINC000575981410 518372180 /nfs/dbraw/zinc/37/21/80/518372180.db2.gz LVDHSMDHPDVEES-UHFFFAOYSA-N -1 0 358.442 2.539 20 30 FFEDRM N#Cc1ncn(-c2ccccc2[N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000578825278 518389625 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20 30 FFEDRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2csc(C#N)c2)cc1)C(=O)[O-] ZINC000576241608 518498742 /nfs/dbraw/zinc/49/87/42/518498742.db2.gz AWEFFGUGGNNLDS-OAHLLOKOSA-N -1 0 364.448 2.674 20 30 FFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)o1 ZINC000567786465 518710059 /nfs/dbraw/zinc/71/00/59/518710059.db2.gz XRQPLDQHPNCTTQ-UHFFFAOYSA-N -1 0 359.310 2.979 20 30 FFEDRM C=CCc1cc(CNC(=O)N(CCC)[C@H](C)C(=O)[O-])cc(OC)c1OC ZINC000570658206 518716316 /nfs/dbraw/zinc/71/63/16/518716316.db2.gz NOORHAPHZGTTBD-CYBMUJFWSA-N -1 0 364.442 2.827 20 30 FFEDRM Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1C(=O)[O-] ZINC000582609809 518836878 /nfs/dbraw/zinc/83/68/78/518836878.db2.gz RPZRVVLMUUIJOL-QWRGUYRKSA-N -1 0 356.831 2.707 20 30 FFEDRM N#Cc1cncc(S(=O)(=O)[N-]c2n[nH]c3ccc(C(F)(F)F)cc23)c1 ZINC000579774260 518842904 /nfs/dbraw/zinc/84/29/04/518842904.db2.gz BKYFXTJESMHYEB-UHFFFAOYSA-N -1 0 367.312 2.649 20 30 FFEDRM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000588906516 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ZINC000831568053 601296862 /nfs/dbraw/zinc/29/68/62/601296862.db2.gz VZVHFZZXBNEYJG-FQEVSTJZSA-N -1 0 368.389 2.960 20 30 FFEDRM N#Cc1cccc([C@@H](Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C(=O)[O-])c1 ZINC000833076101 601299845 /nfs/dbraw/zinc/29/98/45/601299845.db2.gz PXJZBLLNXJPJTP-QZTJIDSGSA-N -1 0 365.389 2.914 20 30 FFEDRM Cc1ccc(C(=O)N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)s1 ZINC000832910766 601312639 /nfs/dbraw/zinc/31/26/39/601312639.db2.gz ABLDGXLHSVRTBV-QGZVFWFLSA-N -1 0 369.446 2.512 20 30 FFEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1C ZINC000831950150 601344029 /nfs/dbraw/zinc/34/40/29/601344029.db2.gz MEXJOBSVTJLEEJ-QGZVFWFLSA-N -1 0 355.346 2.867 20 30 FFEDRM COc1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832439437 601344160 /nfs/dbraw/zinc/34/41/60/601344160.db2.gz SBLZBHCXNJWVOD-GOSISDBHSA-N -1 0 355.346 2.705 20 30 FFEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827878680 601346438 /nfs/dbraw/zinc/34/64/38/601346438.db2.gz AFDSEEJNSVSWKE-YVEFUNNKSA-N -1 0 350.330 2.566 20 30 FFEDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827890439 601350861 /nfs/dbraw/zinc/35/08/61/601350861.db2.gz SHLKYLJBQLDDAL-QLJPJBMISA-N -1 0 361.300 2.973 20 30 FFEDRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000826061576 601353394 /nfs/dbraw/zinc/35/33/94/601353394.db2.gz ZFYAHYWMWVJNHH-AUUYWEPGSA-N -1 0 364.401 2.674 20 30 FFEDRM C=CC[C@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccncc1 ZINC000825665397 601362552 /nfs/dbraw/zinc/36/25/52/601362552.db2.gz ZVILTUXSQUNBFF-INIZCTEOSA-N -1 0 368.393 2.568 20 30 FFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833065268 601385916 /nfs/dbraw/zinc/38/59/16/601385916.db2.gz WLWMPDZLSMEWMS-ZWKOTPCHSA-N -1 0 370.430 2.845 20 30 FFEDRM C/C(=C/COC(=O)c1ccccc1NC=CC(=O)C(F)(F)F)C(=O)[O-] ZINC000825781117 601408101 /nfs/dbraw/zinc/40/81/01/601408101.db2.gz PQYYUINQLOHUBY-YOYBIJIWSA-N -1 0 357.284 2.931 20 30 FFEDRM 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0 361.398 2.936 20 30 FFEDRM CN(C(=O)[O-])[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000739586644 601965964 /nfs/dbraw/zinc/96/59/64/601965964.db2.gz SVXNBVXWJLROCV-QWHCGFSZSA-N -1 0 372.450 2.547 20 30 FFEDRM CN(C(=O)c1sccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830543015 601998241 /nfs/dbraw/zinc/99/82/41/601998241.db2.gz UQAGDKMAOJBJAT-LBPRGKRZSA-N -1 0 354.309 2.935 20 30 FFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000828012671 602009003 /nfs/dbraw/zinc/00/90/03/602009003.db2.gz IVPDZKHSXXQISU-LJQANCHMSA-N -1 0 354.362 2.667 20 30 FFEDRM C[C@@H](Oc1ccc(C=NNC(=S)Nc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794866336 602067811 /nfs/dbraw/zinc/06/78/11/602067811.db2.gz QTVWNLPKQQCOJL-LLVKDONJSA-N -1 0 361.398 2.998 20 30 FFEDRM C[C@@H](Oc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1)C(=O)[O-] ZINC000794869690 602068250 /nfs/dbraw/zinc/06/82/50/602068250.db2.gz BNOWWAWMAQRTMQ-GFCCVEGCSA-N -1 0 368.418 2.968 20 30 FFEDRM COC(=O)C[C@@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000831123940 602085873 /nfs/dbraw/zinc/08/58/73/602085873.db2.gz JDEPFBCFUXGRRL-CQSZACIVSA-N -1 0 365.385 2.922 20 30 FFEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738489736 602159332 /nfs/dbraw/zinc/15/93/32/602159332.db2.gz HNRYBAAMEOPFKB-UHFFFAOYSA-N -1 0 356.426 2.646 20 30 FFEDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000826105938 602217344 /nfs/dbraw/zinc/21/73/44/602217344.db2.gz NFDDHTXCIZMQCP-MRXNPFEDSA-N -1 0 358.419 2.689 20 30 FFEDRM N#CCOc1ccc(CNC(=O)NCC2(NC(=O)[O-])CCCCCC2)cc1 ZINC000740305856 602224633 /nfs/dbraw/zinc/22/46/33/602224633.db2.gz VYUAPTHYJVUSLH-UHFFFAOYSA-N -1 0 374.441 2.749 20 30 FFEDRM C#Cc1cccc(NC(=S)NCCCN(Cc2cccnc2)C(=O)[O-])c1 ZINC000738469702 602232915 /nfs/dbraw/zinc/23/29/15/602232915.db2.gz BPSMHVWNYQQZOA-UHFFFAOYSA-N -1 0 368.462 2.920 20 30 FFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739853359 602241337 /nfs/dbraw/zinc/24/13/37/602241337.db2.gz SPADAXTYYIQSRM-UHFFFAOYSA-N -1 0 367.361 2.625 20 30 FFEDRM C=CCn1c(SCc2cc(C)c(C(=O)[O-])o2)nnc1-c1cnccn1 ZINC000825710895 602241944 /nfs/dbraw/zinc/24/19/44/602241944.db2.gz GFOWYRMKMFPWLS-UHFFFAOYSA-N -1 0 357.395 2.813 20 30 FFEDRM N#Cc1ccc(SCC(=O)NCc2ccc(CCNC(=O)[O-])cc2)cc1 ZINC000740320526 602295136 /nfs/dbraw/zinc/29/51/36/602295136.db2.gz SUUHVCKOOKZOGU-UHFFFAOYSA-N -1 0 369.446 2.777 20 30 FFEDRM Cc1ccc(C#N)cc1OS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000832910644 602319569 /nfs/dbraw/zinc/31/95/69/602319569.db2.gz XRFMOXYWEIDKMA-UHFFFAOYSA-N -1 0 353.302 2.611 20 30 FFEDRM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738613612 602383421 /nfs/dbraw/zinc/38/34/21/602383421.db2.gz KYRYIVKWDBOUJE-INIZCTEOSA-N -1 0 372.469 2.644 20 30 FFEDRM C=CCc1cc(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc(OC)c1OC ZINC000738502775 602410655 /nfs/dbraw/zinc/41/06/55/602410655.db2.gz GQEUNZUGMPBNKZ-ZDUSSCGKSA-N -1 0 362.426 2.552 20 30 FFEDRM O=C([O-])NC1CCC(=NNC(=S)NCCc2ccc(Cl)cc2)CC1 ZINC000740551063 602457317 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N#CCc1ccc(NC(=O)NCCCN(Cc2cccnc2)C(=O)[O-])cc1 ZINC000740311214 602583896 /nfs/dbraw/zinc/58/38/96/602583896.db2.gz QTJFYCZCVIHTDT-UHFFFAOYSA-N -1 0 367.409 2.839 20 30 FFEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740274679 602637550 /nfs/dbraw/zinc/63/75/50/602637550.db2.gz PNHZZHRDAQQJRP-AWEZNQCLSA-N -1 0 370.409 2.760 20 30 FFEDRM C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[C@@H]1NC(=O)[O-] ZINC000739177751 602777348 /nfs/dbraw/zinc/77/73/48/602777348.db2.gz HURPLHATHYCCCN-YOEHRIQHSA-N -1 0 368.437 2.716 20 30 FFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000740066528 602783965 /nfs/dbraw/zinc/78/39/65/602783965.db2.gz LADSKQWPZGISGA-SJLPKXTDSA-N -1 0 372.469 2.528 20 30 FFEDRM N#C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccccc1Br ZINC000831070191 602931819 /nfs/dbraw/zinc/93/18/19/602931819.db2.gz GCSHMHWBKHKSBG-MFKMUULPSA-N -1 0 366.215 2.662 20 30 FFEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000738863849 602947602 /nfs/dbraw/zinc/94/76/02/602947602.db2.gz QYVQXORCZCOONA-CHWSQXEVSA-N -1 0 360.414 2.950 20 30 FFEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739248221 602960363 /nfs/dbraw/zinc/96/03/63/602960363.db2.gz DHPGIDUZWGKHCS-DUVNUKRYSA-N -1 0 357.410 2.847 20 30 FFEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1 ZINC000739211017 603044908 /nfs/dbraw/zinc/04/49/08/603044908.db2.gz VYXDZFMBLXRMQC-HOTGVXAUSA-N -1 0 374.441 2.557 20 30 FFEDRM C=CCn1c(-c2ccco2)nn(CN2CCN(C(=O)[O-])[C@@H](C)C2)c1=S ZINC000738503541 603052670 /nfs/dbraw/zinc/05/26/70/603052670.db2.gz RHVUMZHRGJQNSE-LBPRGKRZSA-N -1 0 363.443 2.502 20 30 FFEDRM CC1(C)CN(C(=O)[O-])CCN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000739068815 603066498 /nfs/dbraw/zinc/06/64/98/603066498.db2.gz ICEIQRHDHWSRQA-UHFFFAOYSA-N -1 0 359.426 2.708 20 30 FFEDRM C=CCc1cc(C(=O)NC2CCC(NC(=O)[O-])CC2)cc(OC)c1OC ZINC000738504008 603071881 /nfs/dbraw/zinc/07/18/81/603071881.db2.gz XCJJKUOTCCDSCB-UHFFFAOYSA-N -1 0 362.426 2.741 20 30 FFEDRM COC(=O)[C@H](Nc1ccc(OC)c(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000739766610 603087861 /nfs/dbraw/zinc/08/78/61/603087861.db2.gz SRGPMNVBQVNWOY-MRXNPFEDSA-N -1 0 355.350 2.983 20 30 FFEDRM N#Cc1ccc(-n2c(=O)c3ccccc3nc2SCCNC(=O)[O-])cc1 ZINC000740312284 603161586 /nfs/dbraw/zinc/16/15/86/603161586.db2.gz CDMVSNLLJISJQE-UHFFFAOYSA-N -1 0 366.402 2.617 20 30 FFEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCN(C(=O)[O-])C3)cn2)cc1 ZINC000740321380 603221733 /nfs/dbraw/zinc/22/17/33/603221733.db2.gz IYOALHBGUXGPAY-ZDUSSCGKSA-N -1 0 352.350 2.684 20 30 FFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000738496402 603235604 /nfs/dbraw/zinc/23/56/04/603235604.db2.gz XMEDLVZKYTVMDO-IUODEOHRSA-N -1 0 360.414 2.759 20 30 FFEDRM N#Cc1ccc(OCCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000831142230 603329425 /nfs/dbraw/zinc/32/94/25/603329425.db2.gz UJMGKNVPVSBVPB-UHFFFAOYSA-N -1 0 358.329 2.988 20 30 FFEDRM C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)[O-] ZINC000826007589 603355644 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