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CCCC(C)(C)C(=O)N[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001427929705 1385221885 /nfs/dbraw/zinc/22/18/85/1385221885.db2.gz POUDCMWZAOWULK-GHMZBOCLSA-N 0 2 340.361 2.724 10 0 EFAELN CC(C)CCCC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001429012633 1385660247 /nfs/dbraw/zinc/66/02/47/1385660247.db2.gz ALSOJXYFZDHLEN-YPMHNXCESA-N 0 2 340.361 2.772 10 0 EFAELN CC(C)CCCC(=O)N1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001429012633 1385660244 /nfs/dbraw/zinc/66/02/44/1385660244.db2.gz ALSOJXYFZDHLEN-YPMHNXCESA-N 0 2 340.361 2.772 10 0 EFAELN CCCN(C(=O)C(F)C(F)(F)F)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001430023404 1386054249 /nfs/dbraw/zinc/05/42/49/1386054249.db2.gz UETGGGDJGJFGAI-MNOVXSKESA-N 0 2 338.345 2.526 10 0 EFAELN CCCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001430023404 1386054253 /nfs/dbraw/zinc/05/42/53/1386054253.db2.gz UETGGGDJGJFGAI-MNOVXSKESA-N 0 2 338.345 2.526 10 0 EFAELN CC[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1csc(C)c1 ZINC001430617069 1386247974 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CC(C)CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001432035274 1386509333 /nfs/dbraw/zinc/50/93/33/1386509333.db2.gz LAFPCVXROLFLLY-MNOVXSKESA-N 0 2 340.361 2.676 10 0 EFAELN CC(C)CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001432035274 1386509337 /nfs/dbraw/zinc/50/93/37/1386509337.db2.gz LAFPCVXROLFLLY-MNOVXSKESA-N 0 2 340.361 2.676 10 0 EFAELN CC(C)C[C@H](CNC(=O)CCC1CC1)NC(=O)C(F)C(F)(F)F ZINC001433018186 1386783131 /nfs/dbraw/zinc/78/31/31/1386783131.db2.gz BYXHWQXPOAESLC-YPMHNXCESA-N 0 2 340.361 2.724 10 0 EFAELN CC(C)C[C@H](CNC(=O)CCC1CC1)NC(=O)[C@H](F)C(F)(F)F ZINC001433018186 1386783141 /nfs/dbraw/zinc/78/31/41/1386783141.db2.gz BYXHWQXPOAESLC-YPMHNXCESA-N 0 2 340.361 2.724 10 0 EFAELN Cc1cc(CNC(=O)c2cc(Br)c(F)cc2O)no1 ZINC001433621005 1386937377 /nfs/dbraw/zinc/93/73/77/1386937377.db2.gz NHMXNPQFYDJRBY-UHFFFAOYSA-N 0 2 329.125 2.520 10 0 EFAELN CC[C@H](CC(C)C)C(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001434066666 1387079206 /nfs/dbraw/zinc/07/92/06/1387079206.db2.gz 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CC(C)CC(=O)N1CCC[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001434312386 1387128000 /nfs/dbraw/zinc/12/80/00/1387128000.db2.gz VFKBUUABXRADDB-OCCSQVGLSA-N 0 2 340.361 2.678 10 0 EFAELN CC(C)CC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001434312386 1387128006 /nfs/dbraw/zinc/12/80/06/1387128006.db2.gz VFKBUUABXRADDB-OCCSQVGLSA-N 0 2 340.361 2.678 10 0 EFAELN Cc1ccc(C(=O)N(C)CCc2nc(O)c(C)c(=O)[nH]2)c(Cl)c1C ZINC001434387866 1387137329 /nfs/dbraw/zinc/13/73/29/1387137329.db2.gz JDENAXOMSOYEGR-UHFFFAOYSA-N 0 2 349.818 2.781 10 0 EFAELN CC(C)(C)C(=O)N1CC[C@]2(NC(=O)C(F)C(F)(F)F)CCC[C@H]12 ZINC001444489160 1391504039 /nfs/dbraw/zinc/50/40/39/1391504039.db2.gz IUGBEJZTBYQPDL-PKFCDNJMSA-N 0 2 338.345 2.573 10 0 EFAELN CC(C)(C)C(=O)N1CC[C@]2(NC(=O)[C@H](F)C(F)(F)F)CCC[C@H]12 ZINC001444489160 1391504043 /nfs/dbraw/zinc/50/40/43/1391504043.db2.gz IUGBEJZTBYQPDL-PKFCDNJMSA-N 0 2 338.345 2.573 10 0 EFAELN C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)Nc1ccc2nn[nH]c2c1 ZINC001445289895 1391525407 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2.657 10 0 EFAELN O=S(=O)(Nc1ccn(CC(F)F)n1)c1ccc2ncsc2c1 ZINC000359052130 476146622 /nfs/dbraw/zinc/14/66/22/476146622.db2.gz WZTIHMOHAQGWDZ-UHFFFAOYSA-N 0 2 344.368 2.559 10 0 EFAELN Cc1c(S(=O)(=O)Nc2nc(C)cc(C)n2)c2ccccc2n1C ZINC000340636505 476170177 /nfs/dbraw/zinc/17/01/77/476170177.db2.gz RWCQSBQWURIBNC-UHFFFAOYSA-N 0 2 330.413 2.694 10 0 EFAELN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1cccc2ncccc21 ZINC000340641336 476175269 /nfs/dbraw/zinc/17/52/69/476175269.db2.gz YRFXFFOPJVBBFT-UHFFFAOYSA-N 0 2 340.408 2.778 10 0 EFAELN COc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1Cl ZINC000362357331 476193573 /nfs/dbraw/zinc/19/35/73/476193573.db2.gz MKFFRYOKJZDYLR-UHFFFAOYSA-N 0 2 336.200 2.536 10 0 EFAELN CCCOc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000362362127 476194641 /nfs/dbraw/zinc/19/46/41/476194641.db2.gz VQZUHEYMQGBYPX-UHFFFAOYSA-N 0 2 329.809 2.663 10 0 EFAELN COCCc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1 ZINC000362386446 476212465 /nfs/dbraw/zinc/21/24/65/476212465.db2.gz FUKAESZXTKRLGZ-UHFFFAOYSA-N 0 2 347.440 2.652 10 0 EFAELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc2c(c1)CCC2 ZINC000357127111 476250330 /nfs/dbraw/zinc/25/03/30/476250330.db2.gz KXWWIPJELHKANC-UHFFFAOYSA-N 0 2 349.408 2.973 10 0 EFAELN CCc1cccnc1NS(=O)(=O)c1ccccc1Cn1ccnc1 ZINC000353797492 476277254 /nfs/dbraw/zinc/27/72/54/476277254.db2.gz XUSFUEBKODSMHX-UHFFFAOYSA-N 0 2 342.424 2.690 10 0 EFAELN CCc1cccnc1[N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353797492 476277258 /nfs/dbraw/zinc/27/72/58/476277258.db2.gz XUSFUEBKODSMHX-UHFFFAOYSA-N 0 2 342.424 2.690 10 0 EFAELN C[C@H](Cc1noc(-c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)n1)c1ccccc1 ZINC000357281971 476315816 /nfs/dbraw/zinc/31/58/16/476315816.db2.gz ICSGGFLOSWSSJM-SNVBAGLBSA-N 0 2 349.350 2.832 10 0 EFAELN COC[C@H](C)[C@@H](C)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000360666712 476334565 /nfs/dbraw/zinc/33/45/65/476334565.db2.gz QTRLUJUHPGIZRW-VHSXEESVSA-N 0 2 325.459 2.854 10 0 EFAELN COC(=O)c1c(F)ccc(NS(=O)(=O)c2ccccc2F)c1C ZINC000357340853 476338277 /nfs/dbraw/zinc/33/82/77/476338277.db2.gz IVCNHRGUBNBPKG-UHFFFAOYSA-N 0 2 341.335 2.861 10 0 EFAELN CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3C3CC3)cc2[nH]c1=S ZINC000377541846 476442532 /nfs/dbraw/zinc/44/25/32/476442532.db2.gz DSUAVHLWOOGGJV-HNNXBMFYSA-N 0 2 343.452 2.720 10 0 EFAELN CCOc1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1 ZINC000362869225 476453456 /nfs/dbraw/zinc/45/34/56/476453456.db2.gz UKVJCFCIRDNVNG-UHFFFAOYSA-N 0 2 335.360 2.902 10 0 EFAELN CC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1 ZINC000362877978 476458243 /nfs/dbraw/zinc/45/82/43/476458243.db2.gz UTBFESRLUYKCHH-UHFFFAOYSA-N 0 2 333.344 2.705 10 0 EFAELN COCc1cccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000362877944 476458577 /nfs/dbraw/zinc/45/85/77/476458577.db2.gz UJRRNTXFRUBUJW-UHFFFAOYSA-N 0 2 335.360 2.649 10 0 EFAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1ccc2c(c1)CCCO2 ZINC000362879486 476459478 /nfs/dbraw/zinc/45/94/78/476459478.db2.gz YNSFEJKFHULOAI-UHFFFAOYSA-N 0 2 347.371 2.828 10 0 EFAELN Cn1nccc1[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000374859835 476559005 /nfs/dbraw/zinc/55/90/05/476559005.db2.gz FMVJUMKVYWWHFT-SNVBAGLBSA-N 0 2 337.782 2.938 10 0 EFAELN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000352229817 476567537 /nfs/dbraw/zinc/56/75/37/476567537.db2.gz VQRUURSMMNSZPC-PWSUYJOCSA-N 0 2 339.317 2.991 10 0 EFAELN CC(C)(C)OC(=O)CCC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000365481794 476586699 /nfs/dbraw/zinc/58/66/99/476586699.db2.gz GMALILOIFGWELA-UHFFFAOYSA-N 0 2 339.442 2.749 10 0 EFAELN Cc1ncc(S(=O)(=O)Nc2cc(-n3cccn3)ccc2C)s1 ZINC000352251787 476587571 /nfs/dbraw/zinc/58/75/71/476587571.db2.gz AXCBNUQVFNHFTA-UHFFFAOYSA-N 0 2 334.426 2.746 10 0 EFAELN Cc1ccc(CCCC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000352261511 476594370 /nfs/dbraw/zinc/59/43/70/476594370.db2.gz UKJBNQZJMJUZAG-OAHLLOKOSA-N 0 2 328.416 2.548 10 0 EFAELN COc1ccc(N2CC(=O)C(C(=O)NCCC3CCCC3)=N2)cc1 ZINC000354348496 476602626 /nfs/dbraw/zinc/60/26/26/476602626.db2.gz MVBFSIFIKYSIHX-UHFFFAOYSA-N 0 2 329.400 2.897 10 0 EFAELN CC[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@H](C)O1 ZINC000365549606 476617919 /nfs/dbraw/zinc/61/79/19/476617919.db2.gz BUKQKOYEBKPKGT-ONGXEEELSA-N 0 2 338.458 2.720 10 0 EFAELN O=S(=O)(Nc1cccc2c[nH]nc21)c1cccnc1C(F)(F)F ZINC000361133811 476626219 /nfs/dbraw/zinc/62/62/19/476626219.db2.gz ZROSUJGKLOHLFY-UHFFFAOYSA-N 0 2 342.302 2.778 10 0 EFAELN COc1nn(C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000352317167 476632080 /nfs/dbraw/zinc/63/20/80/476632080.db2.gz CIZMXYPORGYWJM-UHFFFAOYSA-N 0 2 336.200 2.536 10 0 EFAELN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000352324789 476636592 /nfs/dbraw/zinc/63/65/92/476636592.db2.gz ZRDCAYPHNJAHJR-UHFFFAOYSA-N 0 2 346.817 2.692 10 0 EFAELN CN(Cc1cscn1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000370032667 476641361 /nfs/dbraw/zinc/64/13/61/476641361.db2.gz MCKKOVWVKIJWTQ-UHFFFAOYSA-N 0 2 337.455 2.809 10 0 EFAELN Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)C2 ZINC000365780966 476695217 /nfs/dbraw/zinc/69/52/17/476695217.db2.gz UVXVCACNLHYMPA-LLVKDONJSA-N 0 2 335.766 2.570 10 0 EFAELN O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000370348323 476767143 /nfs/dbraw/zinc/76/71/43/476767143.db2.gz KGSJMOPKDPJYIA-UHFFFAOYSA-N 0 2 337.782 2.690 10 0 EFAELN Cc1ccnc(C2CCN(Cc3nc(=O)c4sccc4[nH]3)CC2)n1 ZINC000370373845 476779292 /nfs/dbraw/zinc/77/92/92/476779292.db2.gz HUPLRINUWGZCHY-UHFFFAOYSA-N 0 2 341.440 2.875 10 0 EFAELN C[C@H]1C[C@@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CS1 ZINC000413950353 476804763 /nfs/dbraw/zinc/80/47/63/476804763.db2.gz HENJSJVGFVRPSM-GXSJLCMTSA-N 0 2 337.832 2.855 10 0 EFAELN COCc1cccc(OCC2(CSc3n[nH]c(=O)[nH]3)CCC2)c1 ZINC000446072642 476820239 /nfs/dbraw/zinc/82/02/39/476820239.db2.gz VMPSKTNOWKSXQH-UHFFFAOYSA-N 0 2 335.429 2.998 10 0 EFAELN COC(=O)[C@H](Sc1n[nH]c(=O)[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000446074190 476820971 /nfs/dbraw/zinc/82/09/71/476820971.db2.gz RAAWKPZSXVAFLM-MRVPVSSYSA-N 0 2 334.184 2.824 10 0 EFAELN Cc1cc(C(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]2)c(C)n1Cc1ccco1 ZINC000446077178 476822211 /nfs/dbraw/zinc/82/22/11/476822211.db2.gz IXHAUAUFCCXFIJ-LLVKDONJSA-N 0 2 346.412 2.933 10 0 EFAELN O=C(N[C@H]1CCC[C@H](CO)C1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000414030743 476840942 /nfs/dbraw/zinc/84/09/42/476840942.db2.gz FSHOITHWSLKGPI-AAEUAGOBSA-N 0 2 349.818 2.512 10 0 EFAELN COC[C@@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000457074617 476860510 /nfs/dbraw/zinc/86/05/10/476860510.db2.gz HNHBDZCHECOAIB-CYBMUJFWSA-N 0 2 347.390 2.606 10 0 EFAELN Cc1cccc(S(=O)(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1F ZINC000447271985 476969788 /nfs/dbraw/zinc/96/97/88/476969788.db2.gz TZZILMZQDQNYGA-UHFFFAOYSA-N 0 2 346.383 2.787 10 0 EFAELN CC[C@H](NC(=O)c1cc(Br)c(F)cc1O)C(C)(C)O ZINC000452495658 476984193 /nfs/dbraw/zinc/98/41/93/476984193.db2.gz DHRPUGPBIXKDQE-NSHDSACASA-N 0 2 334.185 2.573 10 0 EFAELN CO[C@@H](CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(C)C ZINC000447521449 477003188 /nfs/dbraw/zinc/00/31/88/477003188.db2.gz FQUQQVZFFMMLMQ-AWEZNQCLSA-N 0 2 337.807 2.632 10 0 EFAELN COCC1(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCCC1 ZINC000410448930 477005538 /nfs/dbraw/zinc/00/55/38/477005538.db2.gz OOMOJOIRCVXKDQ-UHFFFAOYSA-N 0 2 347.440 2.781 10 0 EFAELN C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@@H]1CCCCO1 ZINC000447541746 477008302 /nfs/dbraw/zinc/00/83/02/477008302.db2.gz HEGBHUSTOQLFFF-NHYWBVRUSA-N 0 2 349.818 2.919 10 0 EFAELN COC[C@H]1CCCCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)C1 ZINC000375904999 477074948 /nfs/dbraw/zinc/07/49/48/477074948.db2.gz RTEQHRQXINUMRN-ZDUSSCGKSA-N 0 2 329.400 2.533 10 0 EFAELN CC(C)(C)c1nc(=NC(=O)NCCC[C@@H]2CCCC[C@H]2O)s[nH]1 ZINC000431854077 477109045 /nfs/dbraw/zinc/10/90/45/477109045.db2.gz BEKPRPAGXFLPAX-NWDGAFQWSA-N 0 2 340.493 2.710 10 0 EFAELN CCC(O)(CC)CCNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447997243 477113308 /nfs/dbraw/zinc/11/33/08/477113308.db2.gz GNQYVGAZUUOTNO-UHFFFAOYSA-N 0 2 340.474 2.751 10 0 EFAELN COc1cc(OC)cc(OCCCN=c2[nH]nc(C(C)C)s2)c1 ZINC000432074864 477150442 /nfs/dbraw/zinc/15/04/42/477150442.db2.gz IBNHYCOFIDUFQC-UHFFFAOYSA-N 0 2 337.445 2.982 10 0 EFAELN CN(CCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000453065857 477158488 /nfs/dbraw/zinc/15/84/88/477158488.db2.gz VRTMOSDYKZZGAT-AWEZNQCLSA-N 0 2 345.344 2.507 10 0 EFAELN CN(CCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1)CC(F)(F)F ZINC000453065857 477158499 /nfs/dbraw/zinc/15/84/99/477158499.db2.gz VRTMOSDYKZZGAT-AWEZNQCLSA-N 0 2 345.344 2.507 10 0 EFAELN Cc1cc(C)c(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c(C)n1 ZINC000416421951 477169212 /nfs/dbraw/zinc/16/92/12/477169212.db2.gz HEUBGXHNKWDGBE-GFCCVEGCSA-N 0 2 334.445 2.901 10 0 EFAELN CCn1cnc(S(=O)(=O)Nc2nc3c(s2)CC(C)(C)CC3)c1 ZINC000416423931 477169361 /nfs/dbraw/zinc/16/93/61/477169361.db2.gz YVUXZTMEOPJFBP-UHFFFAOYSA-N 0 2 340.474 2.675 10 0 EFAELN CCN(c1ccccc1)c1cc(NCCCc2n[nH]c(=O)[nH]2)ncn1 ZINC000432311310 477191522 /nfs/dbraw/zinc/19/15/22/477191522.db2.gz CGBXTVVDPLOSRB-UHFFFAOYSA-N 0 2 339.403 2.503 10 0 EFAELN CCn1nccc1S(=O)(=O)Nc1cnccc1-c1ccccc1 ZINC000432352900 477201438 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CC/C=C(\C)C(=O)N[C@H](C)CCCNC(=O)C(F)C(F)(F)F ZINC001726261355 1426200474 /nfs/dbraw/zinc/20/04/74/1426200474.db2.gz SXCCYDYDRYUVDF-FSZCPTMNSA-N 0 2 326.334 2.644 10 0 EFAELN CC/C=C(\C)C(=O)N[C@H](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001726261355 1426200481 /nfs/dbraw/zinc/20/04/81/1426200481.db2.gz SXCCYDYDRYUVDF-FSZCPTMNSA-N 0 2 326.334 2.644 10 0 EFAELN CCC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001726289553 1426228860 /nfs/dbraw/zinc/22/88/60/1426228860.db2.gz VMCUBUCTTJTQOG-ZJUUUORDSA-N 0 2 328.350 2.724 10 0 EFAELN CCC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001726289553 1426228867 /nfs/dbraw/zinc/22/88/67/1426228867.db2.gz VMCUBUCTTJTQOG-ZJUUUORDSA-N 0 2 328.350 2.724 10 0 EFAELN Cc1cccc(C(=O)NCCC[C@@H](C)NC(=O)C(F)C(F)(F)F)c1 ZINC001726287688 1426226982 /nfs/dbraw/zinc/22/69/82/1426226982.db2.gz RGDOGHOPFJBARU-DGCLKSJQSA-N 0 2 348.340 2.910 10 0 EFAELN Cc1cccc(C(=O)NCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)c1 ZINC001726287688 1426226988 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Cc1ccc([C@H]2CCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)C2)cc1 ZINC000907342405 1441603706 /nfs/dbraw/zinc/60/37/06/1441603706.db2.gz PGIILGMOZKOYMZ-INIZCTEOSA-N 0 2 348.410 2.881 10 0 EFAELN CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000901119840 1449581309 /nfs/dbraw/zinc/58/13/09/1449581309.db2.gz UVEIZBBXYVGCIQ-HNNXBMFYSA-N 0 2 328.420 2.984 10 0 EFAELN COCc1csc(NS(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000255848912 717901851 /nfs/dbraw/zinc/90/18/51/717901851.db2.gz YGJPITPFYYMBKL-SREVYHEPSA-N 0 2 328.390 2.841 10 0 EFAELN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)C(F)C(F)(F)F ZINC000892276681 715682337 /nfs/dbraw/zinc/68/23/37/715682337.db2.gz IFANFPBTUHOMAW-BBBLOLIVSA-N 0 2 327.318 2.998 10 0 EFAELN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)[C@H](F)C(F)(F)F ZINC000892276681 715682356 /nfs/dbraw/zinc/68/23/56/715682356.db2.gz IFANFPBTUHOMAW-BBBLOLIVSA-N 0 2 327.318 2.998 10 0 EFAELN COc1cc(/C=C2/c3ccccc3N(C)C2=O)cc([N+](=O)[O-])c1O ZINC000096669517 717760378 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ZINC000435142544 248215715 /nfs/dbraw/zinc/21/57/15/248215715.db2.gz WROIRMUYHMUPHL-UHFFFAOYSA-N 0 2 339.424 2.776 10 0 EFAELN O=C(Nc1cccnc1)c1cccc(C(=O)Nc2cccnc2)c1O ZINC000436667467 249567118 /nfs/dbraw/zinc/56/71/18/249567118.db2.gz YMNIVMLTAKYMBY-UHFFFAOYSA-N 0 2 334.335 2.687 10 0 EFAELN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccccn3)ccc2S1 ZINC000015730541 296272314 /nfs/dbraw/zinc/27/23/14/296272314.db2.gz STJMRXFNLCGCNL-SNVBAGLBSA-N 0 2 349.437 2.705 10 0 EFAELN CN(CC1(O)CCCC1)C(=O)c1cc(Br)c(F)cc1O ZINC000295447679 295321927 /nfs/dbraw/zinc/32/19/27/295321927.db2.gz NLWUVHYFLCKODM-UHFFFAOYSA-N 0 2 346.196 2.671 10 0 EFAELN Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(O)c1 ZINC000442841856 250130145 /nfs/dbraw/zinc/13/01/45/250130145.db2.gz NMJBYOGGSVSKBG-UHFFFAOYSA-N 0 2 332.303 2.915 10 0 EFAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000443529383 250204515 /nfs/dbraw/zinc/20/45/15/250204515.db2.gz LCXIPEFRYWURAV-UHFFFAOYSA-N 0 2 343.836 2.877 10 0 EFAELN 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329.400 2.847 10 0 EFAELN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CSC2(C)C)=N1 ZINC000338754051 141671914 /nfs/dbraw/zinc/67/19/14/141671914.db2.gz DRBHTFHOJUHKNQ-CYBMUJFWSA-N 0 2 335.404 2.649 10 0 EFAELN CC(C)c1cccc(N2CC(=O)C(C(=O)NC(C)(C)[C@H](C)O)=N2)c1 ZINC000344717456 142066598 /nfs/dbraw/zinc/06/65/98/142066598.db2.gz QYBUWCZQXYJKSO-LBPRGKRZSA-N 0 2 331.416 2.591 10 0 EFAELN CS[C@H](C)CC(=O)N(Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000344972180 142105507 /nfs/dbraw/zinc/10/55/07/142105507.db2.gz SLOFFWOFYQWOKT-IIDMSEBBSA-N 0 2 337.485 2.697 10 0 EFAELN Cc1[nH]ccc1C(=O)N(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000344971488 142105850 /nfs/dbraw/zinc/10/58/50/142105850.db2.gz CQAUOYOLMDBQPS-KXBFYZLASA-N 0 2 328.412 2.505 10 0 EFAELN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H](CO)c1ccsc1 ZINC000349805429 142361895 /nfs/dbraw/zinc/36/18/95/142361895.db2.gz VXQKGQGNSAPJTD-GFCCVEGCSA-N 0 2 346.437 2.544 10 0 EFAELN O=c1[nH]nc(SCc2nc3cc(Br)ccc3o2)[nH]1 ZINC000349832660 142364984 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146360389 /nfs/dbraw/zinc/36/03/89/146360389.db2.gz CYVPXDLGYQNUSM-UHFFFAOYSA-N 0 2 333.442 2.620 10 0 EFAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](CO)C(C)(C)C)s[nH]1 ZINC000352961622 146360419 /nfs/dbraw/zinc/36/04/19/146360419.db2.gz FDCNMKGWCYFCAJ-VIFPVBQESA-N 0 2 340.474 2.525 10 0 EFAELN Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)c2cn[nH]c2)s[nH]1 ZINC000352971657 146362629 /nfs/dbraw/zinc/36/26/29/146362629.db2.gz PMHKHTUTXZHIIE-QMMMGPOBSA-N 0 2 334.430 2.603 10 0 EFAELN Cc1ccsc1-c1nc(=NC(=O)NCCC[C@@H](C)CO)s[nH]1 ZINC000352970308 146363099 /nfs/dbraw/zinc/36/30/99/146363099.db2.gz KMLHKMXTXMFOLL-SECBINFHSA-N 0 2 340.474 2.527 10 0 EFAELN CO[C@@H](CNC(=O)N=c1nc(-c2sccc2C)[nH]s1)C(C)C ZINC000352973705 146363441 /nfs/dbraw/zinc/36/34/41/146363441.db2.gz WSHGNXIOWNQFMM-JTQLQIEISA-N 0 2 340.474 2.789 10 0 EFAELN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc2[nH]ccc2s1 ZINC000355992348 147117328 /nfs/dbraw/zinc/11/73/28/147117328.db2.gz BVVDCOHJRVGEKK-UHFFFAOYSA-N 0 2 325.353 2.972 10 0 EFAELN CC(C)Oc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)nc1 ZINC000356005356 147121372 /nfs/dbraw/zinc/12/13/72/147121372.db2.gz LUHABTVVVDPXKL-UHFFFAOYSA-N 0 2 339.355 2.612 10 0 EFAELN C[C@@H](COc1ccccc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000356028117 147127216 /nfs/dbraw/zinc/12/72/16/147127216.db2.gz YQODVYQYFBBMMU-LBPRGKRZSA-N 0 2 338.367 2.831 10 0 EFAELN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(C)cc1O ZINC000356032366 147128166 /nfs/dbraw/zinc/12/81/66/147128166.db2.gz ASGNTZJSVZXSTO-UHFFFAOYSA-N 0 2 335.381 2.596 10 0 EFAELN CN(C)c1cccc(S(=O)(=O)Nc2n[nH]c3cccc(F)c32)c1 ZINC000356262755 147193109 /nfs/dbraw/zinc/19/31/09/147193109.db2.gz LJDRPXZBMBZMHZ-UHFFFAOYSA-N 0 2 334.376 2.569 10 0 EFAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1n[nH]c2c1CCCCC2 ZINC000356523162 147266896 /nfs/dbraw/zinc/26/68/96/147266896.db2.gz UIGSUTDTOQGNQE-UHFFFAOYSA-N 0 2 345.453 2.933 10 0 EFAELN Cc1ccsc1S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000356753513 147327226 /nfs/dbraw/zinc/32/72/26/147327226.db2.gz UYYGODYCZSVFLU-UHFFFAOYSA-N 0 2 330.818 2.610 10 0 EFAELN CCc1nsc(N[C@H](C[C@H]2CCCc3ccccc32)C(=O)OC)n1 ZINC000359253303 148036507 /nfs/dbraw/zinc/03/65/07/148036507.db2.gz NNCVWJCQTLKKJW-UKRRQHHQSA-N 0 2 345.468 2.986 10 0 EFAELN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000359264270 148040813 /nfs/dbraw/zinc/04/08/13/148040813.db2.gz AVUPGABSSGHTLD-UHFFFAOYSA-N 0 2 346.293 2.511 10 0 EFAELN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000359523381 148109494 /nfs/dbraw/zinc/10/94/94/148109494.db2.gz MPCBXNSWYXGFKO-CQSZACIVSA-N 0 2 346.431 2.540 10 0 EFAELN CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)OC)C1CC1 ZINC000359599724 148134810 /nfs/dbraw/zinc/13/48/10/148134810.db2.gz QTNLXVYKPJFCST-SFHVURJKSA-N 0 2 331.460 2.572 10 0 EFAELN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cn1 ZINC000359834477 148202477 /nfs/dbraw/zinc/20/24/77/148202477.db2.gz OQHBGBAUGGHNIE-UHFFFAOYSA-N 0 2 340.788 2.631 10 0 EFAELN COC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cn1 ZINC000359836882 148203319 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LOMHQBXPMDIRNM-LLVKDONJSA-N 0 2 338.458 2.721 10 0 EFAELN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H](CO)c1ccccc1 ZINC000370123370 476673838 /nfs/dbraw/zinc/67/38/38/476673838.db2.gz RUQNLAXWBMOFIW-LBPRGKRZSA-N 0 2 346.437 2.544 10 0 EFAELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@]34CCOC4)=N2)cc1 ZINC000422078706 476703982 /nfs/dbraw/zinc/70/39/82/476703982.db2.gz XBNAUEWNEBTOHH-IBGZPJMESA-N 0 2 341.411 2.706 10 0 EFAELN C[C@H]1CN(Cc2n[nH]c(=O)[nH]2)c2ccccc2N1Cc1ccccc1 ZINC000445880078 476787232 /nfs/dbraw/zinc/78/72/32/476787232.db2.gz KPKBXRBTGTTZTK-AWEZNQCLSA-N 0 2 335.411 2.926 10 0 EFAELN C[C@@H](Sc1n[nH]c(=O)[nH]1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000446050542 476811852 /nfs/dbraw/zinc/81/18/52/476811852.db2.gz FSBDUUFPMOYFDQ-SECBINFHSA-N 0 2 348.428 2.858 10 0 EFAELN COC(=O)[C@H](Sc1n[nH]c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000446070813 476819883 /nfs/dbraw/zinc/81/98/83/476819883.db2.gz NTCVQBCEXZFTPM-MRVPVSSYSA-N 0 2 334.184 2.824 10 0 EFAELN COC(=O)[C@@H](Sc1n[nH]c(=O)[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000446074192 476820007 /nfs/dbraw/zinc/82/00/07/476820007.db2.gz RAAWKPZSXVAFLM-QMMMGPOBSA-N 0 2 334.184 2.824 10 0 EFAELN COc1cc(-c2nc(CSc3n[nH]c(=O)[nH]3)cs2)ccc1O ZINC000446072107 476820481 /nfs/dbraw/zinc/82/04/81/476820481.db2.gz LIUCECAYRQAFBD-UHFFFAOYSA-N 0 2 336.398 2.640 10 0 EFAELN NC(=O)CCN(C(=O)c1cc(F)c(O)c(Cl)c1)c1ccccc1 ZINC000446080183 476824622 /nfs/dbraw/zinc/82/46/22/476824622.db2.gz LNWGCDFURLMODA-UHFFFAOYSA-N 0 2 336.750 2.707 10 0 EFAELN CCC[C@H](CCO)CNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000366071989 476849468 /nfs/dbraw/zinc/84/94/68/476849468.db2.gz GTDTZTNQJVJSAL-SNVBAGLBSA-N 0 2 340.474 2.609 10 0 EFAELN COc1ccc(CC(C)(C)NC(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1 ZINC000446277101 476854262 /nfs/dbraw/zinc/85/42/62/476854262.db2.gz OJHAOMVMGCKEHL-UHFFFAOYSA-N 0 2 345.447 2.606 10 0 EFAELN O=C(c1cc(F)c(O)c(F)c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375543025 476888043 /nfs/dbraw/zinc/88/80/43/476888043.db2.gz OVZISHRZZBQHDB-VIFPVBQESA-N 0 2 335.310 2.561 10 0 EFAELN Cc1ccc(-c2cc(NS(=O)(=O)c3cccc(N(C)C)c3)[nH]n2)o1 ZINC000446947080 476936231 /nfs/dbraw/zinc/93/62/31/476936231.db2.gz DAUGPMGDBWPSQO-UHFFFAOYSA-N 0 2 346.412 2.845 10 0 EFAELN Cc1ccc(-c2cc(NS(=O)(=O)c3cccc(N(C)C)c3)n[nH]2)o1 ZINC000446947080 476936237 /nfs/dbraw/zinc/93/62/37/476936237.db2.gz DAUGPMGDBWPSQO-UHFFFAOYSA-N 0 2 346.412 2.845 10 0 EFAELN Cc1ccc2c(n1)[nH]cc(C(=O)NCC(C)(C)c1ccccn1)c2=O ZINC000452392450 476946735 /nfs/dbraw/zinc/94/67/35/476946735.db2.gz XWCRGNRUCQVWPK-UHFFFAOYSA-N 0 2 336.395 2.746 10 0 EFAELN Cc1ccc(S(=O)(=O)Nc2ccc3ccc(=O)n(C)c3c2)s1 ZINC000447277815 476971111 /nfs/dbraw/zinc/97/11/11/476971111.db2.gz JSQIYVOXCDDSSQ-UHFFFAOYSA-N 0 2 334.422 2.709 10 0 EFAELN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)s1 ZINC000431172677 476991214 /nfs/dbraw/zinc/99/12/14/476991214.db2.gz YOBQXJQBAMZXRB-UHFFFAOYSA-N 0 2 344.845 2.918 10 0 EFAELN CO[C@H]1CCC[C@H]1CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000447547959 477008758 /nfs/dbraw/zinc/00/87/58/477008758.db2.gz FHSWOJLWKIFADA-NHYWBVRUSA-N 0 2 349.818 2.776 10 0 EFAELN C[C@H]1N(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CCOC1(C)C ZINC000447576584 477016673 /nfs/dbraw/zinc/01/66/73/477016673.db2.gz BMOAZVBWKVMPFP-LLVKDONJSA-N 0 2 349.818 2.871 10 0 EFAELN CCc1cnccc1CNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448005548 477114273 /nfs/dbraw/zinc/11/42/73/477114273.db2.gz AHRCELARGCVOTL-UHFFFAOYSA-N 0 2 345.453 2.968 10 0 EFAELN CN(CCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1)CC(F)(F)F ZINC000453065860 477158870 /nfs/dbraw/zinc/15/88/70/477158870.db2.gz VRTMOSDYKZZGAT-CQSZACIVSA-N 0 2 345.344 2.507 10 0 EFAELN CN(CCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1)CC(F)(F)F ZINC000453065860 477158875 /nfs/dbraw/zinc/15/88/75/477158875.db2.gz VRTMOSDYKZZGAT-CQSZACIVSA-N 0 2 345.344 2.507 10 0 EFAELN Cc1cc(=NC(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)[nH]nc1C ZINC000432146377 477167773 /nfs/dbraw/zinc/16/77/73/477167773.db2.gz BJIFRRRIORGBER-SFHVURJKSA-N 0 2 328.391 2.850 10 0 EFAELN Cc1cc(=NC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)[nH]nc1C ZINC000432146376 477168500 /nfs/dbraw/zinc/16/85/00/477168500.db2.gz BJIFRRRIORGBER-GOSISDBHSA-N 0 2 328.391 2.850 10 0 EFAELN C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)[C@@H]1c1ccc(F)cc1 ZINC000366843458 477216724 /nfs/dbraw/zinc/21/67/24/477216724.db2.gz CICTUUGZOAOCIR-WBAXXEDZSA-N 0 2 342.418 2.530 10 0 EFAELN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccccc1-c1c(F)cccc1F ZINC000432615324 477241636 /nfs/dbraw/zinc/24/16/36/477241636.db2.gz IOSFDHDNIOSZBP-UHFFFAOYSA-N 0 2 345.309 2.777 10 0 EFAELN CCc1nc(C)c(NS(=O)(=O)c2ccc(N(C)C)cc2)s1 ZINC000432776437 477263151 /nfs/dbraw/zinc/26/31/51/477263151.db2.gz NZVOOERGMXDDMZ-UHFFFAOYSA-N 0 2 325.459 2.881 10 0 EFAELN COCCCCCNC(=O)c1cc(Br)c(F)cc1O ZINC000448826419 477304452 /nfs/dbraw/zinc/30/44/52/477304452.db2.gz XNQUZCFCTYNILJ-UHFFFAOYSA-N 0 2 334.185 2.840 10 0 EFAELN Cc1cc(=NC(=O)NC(C)(C)c2cc(C(F)(F)F)on2)[nH]nc1C ZINC000433180653 477316890 /nfs/dbraw/zinc/31/68/90/477316890.db2.gz YGOMKXNRKGPYNI-UHFFFAOYSA-N 0 2 343.309 2.579 10 0 EFAELN COc1cc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])n2)ccc1C ZINC000424262902 477346673 /nfs/dbraw/zinc/34/66/73/477346673.db2.gz DYTPSOAGYNPOGH-LRDDRELGSA-N 0 2 345.399 2.739 10 0 EFAELN COc1cc(-c2noc(C[N@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])n2)ccc1C ZINC000424262902 477346678 /nfs/dbraw/zinc/34/66/78/477346678.db2.gz DYTPSOAGYNPOGH-LRDDRELGSA-N 0 2 345.399 2.739 10 0 EFAELN O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1cc(F)cc(F)c1 ZINC000435719983 477356455 /nfs/dbraw/zinc/35/64/55/477356455.db2.gz SOERTGZGWLIXNJ-UHFFFAOYSA-N 0 2 327.234 2.508 10 0 EFAELN COc1nccnc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000449107770 477441948 /nfs/dbraw/zinc/44/19/48/477441948.db2.gz RLCFTOSHDJCKCW-CQSZACIVSA-N 0 2 332.473 2.549 10 0 EFAELN Cc1[nH+]c2ccccc2n1CCCN=c1[n-]c(C2CCOCC2)no1 ZINC000413028885 477476929 /nfs/dbraw/zinc/47/69/29/477476929.db2.gz QQGCLLCEWRJIJB-UHFFFAOYSA-N 0 2 341.415 2.546 10 0 EFAELN CCOc1ccncc1S(=O)(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000436479301 477489218 /nfs/dbraw/zinc/48/92/18/477489218.db2.gz QGFSXWVATPQXKV-UHFFFAOYSA-N 0 2 344.396 2.671 10 0 EFAELN COc1cccc(S(O)=CC(=O)N2Cc3ccccc3[C@@H]2C)c1 ZINC000424710896 477490669 /nfs/dbraw/zinc/49/06/69/477490669.db2.gz QPZWSIZVUCHCQM-ZAMGYDSWSA-N 0 2 329.421 2.906 10 0 EFAELN COc1cccc(S(O)=CC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000424763112 477511052 /nfs/dbraw/zinc/51/10/52/477511052.db2.gz PCODHBKYXNJAND-CGROQTEOSA-N 0 2 335.469 2.842 10 0 EFAELN CC(C)(C)n1cnc(=NC(=O)NCc2ccc(C(C)(F)F)cc2)[nH]1 ZINC000455142962 477517266 /nfs/dbraw/zinc/51/72/66/477517266.db2.gz QQNPVYKGIJTMFI-UHFFFAOYSA-N 0 2 337.374 2.888 10 0 EFAELN Cc1ccsc1-c1nc(=NC(=O)N(C)[C@H](C)C(C)(C)O)s[nH]1 ZINC000455156812 477522414 /nfs/dbraw/zinc/52/24/14/477522414.db2.gz MMJJHQPRHCQDFI-SECBINFHSA-N 0 2 340.474 2.620 10 0 EFAELN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)CC(C)(C)O)s[nH]1 ZINC000455158979 477523286 /nfs/dbraw/zinc/52/32/86/477523286.db2.gz NQJWGOINPWJKCY-SECBINFHSA-N 0 2 340.474 2.668 10 0 EFAELN COc1cccc(S(O)=CC(=O)NCC2(C3CCC3)CCC2)c1 ZINC000424871043 477548670 /nfs/dbraw/zinc/54/86/70/477548670.db2.gz ZXAJQZDSVGAAQD-HSZRJFAPSA-N 0 2 335.469 2.889 10 0 EFAELN O=S(=O)(Cc1cccc(-n2cccn2)c1)c1nc2ccccc2[nH]1 ZINC000376893634 477551899 /nfs/dbraw/zinc/55/18/99/477551899.db2.gz PLEPAAYMJIULCT-UHFFFAOYSA-N 0 2 338.392 2.723 10 0 EFAELN O=c1cc(CN2CCO[C@H](C3CC3)C2)c2cc(Cl)c(O)cc2o1 ZINC000367558602 477572761 /nfs/dbraw/zinc/57/27/61/477572761.db2.gz CVRIFBOKPWUVQS-INIZCTEOSA-N 0 2 335.787 2.763 10 0 EFAELN CCC(=O)c1ccc(O)c(NC(=O)CCSc2nnc(C)[nH]2)c1 ZINC000436830448 477604817 /nfs/dbraw/zinc/60/48/17/477604817.db2.gz DEHYQWYSKUDTBG-UHFFFAOYSA-N 0 2 334.401 2.532 10 0 EFAELN CCOC(=O)c1csc(N[C@H]2CCc3cc(F)c(OC)cc32)n1 ZINC000450510989 477612273 /nfs/dbraw/zinc/61/22/73/477612273.db2.gz PBKRFPREPAGLQJ-LBPRGKRZSA-N 0 2 336.388 2.989 10 0 EFAELN C[C@@]1(NC(=O)c2cc(Br)c(F)cc2O)CCCOC1 ZINC000450586158 477643530 /nfs/dbraw/zinc/64/35/30/477643530.db2.gz ODQHYQPSIBEKGL-CYBMUJFWSA-N 0 2 332.169 2.593 10 0 EFAELN O=C(Nc1nnc(C2CCC2)[nH]1)c1ccc(Br)cc1O ZINC000436958262 477648391 /nfs/dbraw/zinc/64/83/91/477648391.db2.gz FVQNNHJKFBPZCO-UHFFFAOYSA-N 0 2 337.177 2.793 10 0 EFAELN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(Br)cc1O ZINC000436958262 477648397 /nfs/dbraw/zinc/64/83/97/477648397.db2.gz FVQNNHJKFBPZCO-UHFFFAOYSA-N 0 2 337.177 2.793 10 0 EFAELN COC(=O)C1(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000450619932 477656486 /nfs/dbraw/zinc/65/64/86/477656486.db2.gz GRGDNBDDITZAOG-CQSZACIVSA-N 0 2 326.400 2.562 10 0 EFAELN O=C(N[C@H](CO)c1c(F)cccc1F)c1cc(F)c(O)c(Cl)c1 ZINC000437002559 477662472 /nfs/dbraw/zinc/66/24/72/477662472.db2.gz SVOLJZOGGVOPQP-GFCCVEGCSA-N 0 2 345.704 2.926 10 0 EFAELN CC(F)(F)C(C)(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000450694089 477684981 /nfs/dbraw/zinc/68/49/81/477684981.db2.gz NXRMMWCINNTPOF-UHFFFAOYSA-N 0 2 338.358 2.681 10 0 EFAELN CC[N@@H+]1CC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000367780284 477686135 /nfs/dbraw/zinc/68/61/35/477686135.db2.gz CJQIDJOVJWHHAY-PWSUYJOCSA-N 0 2 340.267 2.918 10 0 EFAELN CC[N@H+]1CC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000367780284 477686142 /nfs/dbraw/zinc/68/61/42/477686142.db2.gz CJQIDJOVJWHHAY-PWSUYJOCSA-N 0 2 340.267 2.918 10 0 EFAELN CC(C)COCCC(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000450697926 477687019 /nfs/dbraw/zinc/68/70/19/477687019.db2.gz OKXMXEHUVNSSQG-UHFFFAOYSA-N 0 2 338.795 2.832 10 0 EFAELN COc1cc(OC)c(C[C@H](C)Nc2nc(C3CC3)ns2)c(OC)c1 ZINC000450712101 477692361 /nfs/dbraw/zinc/69/23/61/477692361.db2.gz QFAZSNNYXGZNQB-JTQLQIEISA-N 0 2 349.456 2.906 10 0 EFAELN O=S(=O)(Nc1cccnc1-c1ccccc1)c1cnc2n1CCC2 ZINC000437679550 477739672 /nfs/dbraw/zinc/73/96/72/477739672.db2.gz JHSMMMFNSJSGRS-UHFFFAOYSA-N 0 2 340.408 2.692 10 0 EFAELN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000437680319 477739748 /nfs/dbraw/zinc/73/97/48/477739748.db2.gz LDKDUDYFLZVHRX-UHFFFAOYSA-N 0 2 335.429 2.633 10 0 EFAELN CCn1c(NS(=O)(=O)c2ccc(C)cc2C)nc2cccnc21 ZINC000451040979 477799357 /nfs/dbraw/zinc/79/93/57/477799357.db2.gz SMGGXMHQPYILFU-UHFFFAOYSA-N 0 2 330.413 2.869 10 0 EFAELN CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2O)cc1OC ZINC000451104411 477825827 /nfs/dbraw/zinc/82/58/27/477825827.db2.gz FYKFCKPQDDKQMT-UHFFFAOYSA-N 0 2 337.397 2.773 10 0 EFAELN CO[C@H]1CC[C@H](NC(=O)c2cc(Br)c(F)cc2O)C1 ZINC000451108321 477826812 /nfs/dbraw/zinc/82/68/12/477826812.db2.gz LNCGGZRJPOBGAS-YUMQZZPRSA-N 0 2 332.169 2.591 10 0 EFAELN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)=N1 ZINC000438394965 477837615 /nfs/dbraw/zinc/83/76/15/477837615.db2.gz RLHXJEJCLNNMIS-YNEHKIRRSA-N 0 2 347.390 2.663 10 0 EFAELN O=C([O-])[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)Cc1ccccc1 ZINC000516070547 477887104 /nfs/dbraw/zinc/88/71/04/477887104.db2.gz IROJFVWASVOETM-INIZCTEOSA-N 0 2 340.427 2.822 10 0 EFAELN O=C([O-])[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000516070547 477887114 /nfs/dbraw/zinc/88/71/14/477887114.db2.gz IROJFVWASVOETM-INIZCTEOSA-N 0 2 340.427 2.822 10 0 EFAELN CCCc1nsc(N[C@@H](C)C2CCN(CC(F)(F)F)CC2)n1 ZINC000461950940 477888537 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CCn1cc(-c2[nH]ncc2C(=O)NCC2(C3CCC3)CCC2)cn1 ZINC000560478574 478090860 /nfs/dbraw/zinc/09/08/60/478090860.db2.gz HJGVDIJZGDFHOY-UHFFFAOYSA-N 0 2 327.432 2.993 10 0 EFAELN Cc1ccc(CC[C@H](C)NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)o1 ZINC000440265907 478098907 /nfs/dbraw/zinc/09/89/07/478098907.db2.gz BXBPMCBDSDHKIR-NSHDSACASA-N 0 2 341.367 2.682 10 0 EFAELN COc1cc(Cl)cc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)c1 ZINC000561264228 478172777 /nfs/dbraw/zinc/17/27/77/478172777.db2.gz RSJYBYCKJMJOQH-LBPRGKRZSA-N 0 2 336.779 2.540 10 0 EFAELN O=C(C1=NN(c2ccccc2)CC1=O)N1CCOC[C@@H]1CC1CCC1 ZINC000561717767 478200960 /nfs/dbraw/zinc/20/09/60/478200960.db2.gz AGFNDXSQUIYLTO-INIZCTEOSA-N 0 2 341.411 2.609 10 0 EFAELN C[C@@H]1CCn2ncc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)c2C1 ZINC000519604396 478239509 /nfs/dbraw/zinc/23/95/09/478239509.db2.gz FAAQNPHLQKEBIG-SECBINFHSA-N 0 2 345.453 2.720 10 0 EFAELN CCCCNc1ccccc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000562492405 478256633 /nfs/dbraw/zinc/25/66/33/478256633.db2.gz 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ZINC000337914155 475429445 /nfs/dbraw/zinc/42/94/45/475429445.db2.gz MLOPGMCZCHOQIT-SNVBAGLBSA-N 0 2 335.429 2.786 10 0 EFAELN CO[C@H](C)c1nsc(NCCCn2c(C)nc3ccccc32)n1 ZINC000337916649 475430350 /nfs/dbraw/zinc/43/03/50/475430350.db2.gz RFBUYGHLUXADDU-LLVKDONJSA-N 0 2 331.445 2.828 10 0 EFAELN COc1ccc(CCCNc2nc([C@@H](C)OC)ns2)cc1OC ZINC000337916274 475430761 /nfs/dbraw/zinc/43/07/61/475430761.db2.gz QPRKSHYZYUFLII-LLVKDONJSA-N 0 2 337.445 2.729 10 0 EFAELN C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)Cc1ccccc1 ZINC000341979919 475470783 /nfs/dbraw/zinc/47/07/83/475470783.db2.gz ZHFVPVULFBVGIP-CQSZACIVSA-N 0 2 349.390 2.508 10 0 EFAELN COc1cccc2c1[C@@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)CC2 ZINC000339854806 475563742 /nfs/dbraw/zinc/56/37/42/475563742.db2.gz ZTNIRWSBHVSBSW-NSHDSACASA-N 0 2 331.441 2.935 10 0 EFAELN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(C)cc1OC ZINC000338222153 475687545 /nfs/dbraw/zinc/68/75/45/475687545.db2.gz UCWAUHUVICVCPR-UHFFFAOYSA-N 0 2 349.408 2.899 10 0 EFAELN Cc1cc(NS(=O)(=O)c2c(C)noc2C)n(-c2ccccc2C)n1 ZINC000340037908 475705031 /nfs/dbraw/zinc/70/50/31/475705031.db2.gz OUMBCQBNZFHUGA-UHFFFAOYSA-N 0 2 346.412 2.895 10 0 EFAELN CCCn1nccc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000340043743 475712490 /nfs/dbraw/zinc/71/24/90/475712490.db2.gz VMGJEQZMYQIECW-UHFFFAOYSA-N 0 2 330.413 2.951 10 0 EFAELN Cc1nc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c[nH]1 ZINC000340080521 475742192 /nfs/dbraw/zinc/74/21/92/475742192.db2.gz HTEBFLCNCRGZSH-UHFFFAOYSA-N 0 2 348.359 2.845 10 0 EFAELN Cc1csc(Nc2cccc(NS(=O)(=O)c3ccnn3C)c2)n1 ZINC000340088762 475748733 /nfs/dbraw/zinc/74/87/33/475748733.db2.gz CSQGYQSCVGADLD-UHFFFAOYSA-N 0 2 349.441 2.729 10 0 EFAELN Cc1cnc(N)c(S(=O)(=O)Nc2ccccc2OCC2CC2)c1 ZINC000358565228 475775745 /nfs/dbraw/zinc/77/57/45/475775745.db2.gz LIAMYOSNZSHMFQ-UHFFFAOYSA-N 0 2 333.413 2.562 10 0 EFAELN Cc1cnc(N)c(S(=O)(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000358567992 475777949 /nfs/dbraw/zinc/77/79/49/475777949.db2.gz REMOQQGJFDFORD-UHFFFAOYSA-N 0 2 328.397 2.630 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/nfs/dbraw/zinc/93/27/11/475932711.db2.gz SAZCBISRGSTDET-PWSUYJOCSA-N 0 2 344.415 2.691 10 0 EFAELN Cc1cc(C(=O)NCC[C@H]2CCC[C@@H](C)C2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000346877860 475933346 /nfs/dbraw/zinc/93/33/46/475933346.db2.gz SAZCBISRGSTDET-ZYHUDNBSSA-N 0 2 344.415 2.691 10 0 EFAELN COC[C@@](C)(NS(=O)(=O)c1ccc(Cl)cc1F)C(F)(F)F ZINC000358806583 475955108 /nfs/dbraw/zinc/95/51/08/475955108.db2.gz XGTQJFATFQRPJR-SNVBAGLBSA-N 0 2 349.733 2.725 10 0 EFAELN COC[C@](C)(NS(=O)(=O)c1cc(F)c(C)cc1F)C(F)(F)F ZINC000358813391 475960071 /nfs/dbraw/zinc/96/00/71/475960071.db2.gz OABPTWVIEXPESB-NSHDSACASA-N 0 2 347.305 2.519 10 0 EFAELN CC(C)c1nn(C)cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000358883523 476010520 /nfs/dbraw/zinc/01/05/20/476010520.db2.gz FAIOZDDHGMCZJC-UHFFFAOYSA-N 0 2 330.413 2.893 10 0 EFAELN O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cc2[nH]ccc2s1 ZINC000355541630 476018433 /nfs/dbraw/zinc/01/84/33/476018433.db2.gz IVLUVJLCQGDICO-UHFFFAOYSA-N 0 2 326.337 2.825 10 0 EFAELN Cc1ccnc(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000358934899 476053402 /nfs/dbraw/zinc/05/34/02/476053402.db2.gz IUYSWSCSIDDKGN-UHFFFAOYSA-N 0 2 331.319 2.913 10 0 EFAELN COc1nc(C)ccc1C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000350126254 476060042 /nfs/dbraw/zinc/06/00/42/476060042.db2.gz QLWWCVBBIFZKST-UHFFFAOYSA-N 0 2 346.437 2.961 10 0 EFAELN O=C(N[C@H]1CCC[C@H](CO)C1)c1cc(Br)c(F)cc1O ZINC000298349009 476064144 /nfs/dbraw/zinc/06/41/44/476064144.db2.gz OKKDYSWELZZOSQ-IUCAKERBSA-N 0 2 346.196 2.575 10 0 EFAELN CCc1ccc(S(=O)(=O)Nc2ccc(CNC(C)=O)cc2)s1 ZINC000353590588 476105979 /nfs/dbraw/zinc/10/59/79/476105979.db2.gz PHLDNYKCBCMUNL-UHFFFAOYSA-N 0 2 338.454 2.747 10 0 EFAELN COc1ccc(NS(=O)(=O)c2cccs2)c(OC)c1OC ZINC000340580937 476119794 /nfs/dbraw/zinc/11/97/94/476119794.db2.gz MDBJCTLFURQILJ-UHFFFAOYSA-N 0 2 329.399 2.575 10 0 EFAELN COc1ccc(C(=O)N=c2nc(-c3sccc3C)[nH]s2)cn1 ZINC000350289921 476123526 /nfs/dbraw/zinc/12/35/26/476123526.db2.gz WAIAZTBZJGVDMU-UHFFFAOYSA-N 0 2 332.410 2.653 10 0 EFAELN Cc1c(S(=O)(=O)Nc2cccc(N(C)C)n2)c2ccccc2n1C ZINC000340637463 476170100 /nfs/dbraw/zinc/17/01/00/476170100.db2.gz GTWXZZPPCDANHN-UHFFFAOYSA-N 0 2 344.440 2.749 10 0 EFAELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000362348756 476188448 /nfs/dbraw/zinc/18/84/48/476188448.db2.gz MXUVBRRXWKTJPI-UHFFFAOYSA-N 0 2 339.726 2.893 10 0 EFAELN CCCOc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)c(C)c1 ZINC000362357904 476193316 /nfs/dbraw/zinc/19/33/16/476193316.db2.gz NRDLYQPYFJMNDQ-UHFFFAOYSA-N 0 2 343.836 2.972 10 0 EFAELN COc1ncc(C)cc1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000340742042 476246528 /nfs/dbraw/zinc/24/65/28/476246528.db2.gz RLAPANAEWXALEU-UHFFFAOYSA-N 0 2 345.424 3.000 10 0 EFAELN CCn1cnc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c1 ZINC000362487302 476278850 /nfs/dbraw/zinc/27/88/50/476278850.db2.gz TYRDSEMBKUOEQH-UHFFFAOYSA-N 0 2 340.405 2.761 10 0 EFAELN CC(C)Cc1cc(NS(=O)(=O)c2cccc3ncccc32)[nH]n1 ZINC000353889458 476313861 /nfs/dbraw/zinc/31/38/61/476313861.db2.gz IVQSAKDCLDWTPX-UHFFFAOYSA-N 0 2 330.413 2.957 10 0 EFAELN Cc1cc(C(=O)NCC2(C)CCC(C)CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000357375387 476349652 /nfs/dbraw/zinc/34/96/52/476349652.db2.gz LMIGGBAPYVYGQD-UHFFFAOYSA-N 0 2 344.415 2.691 10 0 EFAELN CC(C)c1csc(NS(=O)(=O)c2ccc(N(C)C)nc2)n1 ZINC000357392011 476354692 /nfs/dbraw/zinc/35/46/92/476354692.db2.gz RCSDWJGUAXAKKZ-UHFFFAOYSA-N 0 2 326.447 2.528 10 0 EFAELN O=C(COCc1ccccc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000363397924 476363559 /nfs/dbraw/zinc/36/35/59/476363559.db2.gz ZCJWPTUCONBNDW-UHFFFAOYSA-N 0 2 331.422 2.844 10 0 EFAELN COC(=O)[C@H]1CCCCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000369334858 476411015 /nfs/dbraw/zinc/41/10/15/476411015.db2.gz NCGUHCZYRSQTRN-GFCCVEGCSA-N 0 2 329.755 2.743 10 0 EFAELN CC(C)(C)C[C@@H](CO)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000369615998 476440231 /nfs/dbraw/zinc/44/02/31/476440231.db2.gz OPPXAVDTWYFKGF-JTQLQIEISA-N 0 2 340.474 2.607 10 0 EFAELN CC[C@@H](CSC)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000369616689 476440568 /nfs/dbraw/zinc/44/05/68/476440568.db2.gz UATSRENSKOVZQU-VIFPVBQESA-N 0 2 328.488 2.952 10 0 EFAELN CC[C@H](CSC)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000369616688 476441042 /nfs/dbraw/zinc/44/10/42/476441042.db2.gz UATSRENSKOVZQU-SECBINFHSA-N 0 2 328.488 2.952 10 0 EFAELN CC(C)c1cccc(S(=O)(=O)Nc2cnccc2-n2ccnn2)c1 ZINC000377543195 476441889 /nfs/dbraw/zinc/44/18/89/476441889.db2.gz PVIPPVAMKAEEHH-UHFFFAOYSA-N 0 2 343.412 2.587 10 0 EFAELN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000357547642 476445849 /nfs/dbraw/zinc/44/58/49/476445849.db2.gz HEXWLNHSJLBNLC-UHFFFAOYSA-N 0 2 341.335 2.861 10 0 EFAELN COCc1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1 ZINC000362867366 476451680 /nfs/dbraw/zinc/45/16/80/476451680.db2.gz LQOPCPCVZJOVHD-UHFFFAOYSA-N 0 2 335.360 2.649 10 0 EFAELN Cc1ccc2c(n1)[nH]cc(C(=O)NCCc1ccc(F)cc1)c2=O ZINC000357555284 476452552 /nfs/dbraw/zinc/45/25/52/476452552.db2.gz GAOOURBCHDXUFD-UHFFFAOYSA-N 0 2 325.343 2.755 10 0 EFAELN O=S(=O)(Nc1nc2cc(F)ccc2[nH]1)c1ccc(F)c(F)c1 ZINC000362869457 476453752 /nfs/dbraw/zinc/45/37/52/476453752.db2.gz WBDGQIYYGGBFRO-UHFFFAOYSA-N 0 2 327.287 2.781 10 0 EFAELN O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(F)c(F)c(O)c1F ZINC000357618151 476493404 /nfs/dbraw/zinc/49/34/04/476493404.db2.gz YAJNDRDCBFMELD-UHFFFAOYSA-N 0 2 348.280 2.993 10 0 EFAELN CCn1cc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)cn1 ZINC000361008746 476539678 /nfs/dbraw/zinc/53/96/78/476539678.db2.gz XAQNKJGNFNTDCB-UHFFFAOYSA-N 0 2 327.793 2.560 10 0 EFAELN Cc1cc(Cl)c2ccccc2c1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000361045357 476563489 /nfs/dbraw/zinc/56/34/89/476563489.db2.gz QPOBYXINZSBIJH-UHFFFAOYSA-N 0 2 331.763 2.947 10 0 EFAELN CC1(C)CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[NH2+]1 ZINC000374893921 476577824 /nfs/dbraw/zinc/57/78/24/476577824.db2.gz MMGUPGZGQFZGGT-INIZCTEOSA-N 0 2 344.503 2.704 10 0 EFAELN Cc1ccc(CCCC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000352261510 476594516 /nfs/dbraw/zinc/59/45/16/476594516.db2.gz UKJBNQZJMJUZAG-HNNXBMFYSA-N 0 2 328.416 2.548 10 0 EFAELN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC=C(c3ccncc3)C1)c2=O ZINC000354337858 476596285 /nfs/dbraw/zinc/59/62/85/476596285.db2.gz CFJBDTMEQUESRL-UHFFFAOYSA-N 0 2 346.390 2.968 10 0 EFAELN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000352267265 476598976 /nfs/dbraw/zinc/59/89/76/476598976.db2.gz SFHPXSCAQVTDFL-UHFFFAOYSA-N 0 2 345.428 2.759 10 0 EFAELN COc1ccc(N2CC(=O)C(C(=O)N[C@H]3C[C@H]3c3ccccc3)=N2)cc1 ZINC000354362368 476611710 /nfs/dbraw/zinc/61/17/10/476611710.db2.gz WJMSZCRNLAKNSZ-IRXDYDNUSA-N 0 2 349.390 2.872 10 0 EFAELN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)=N2)cc1 ZINC000354362367 476612060 /nfs/dbraw/zinc/61/20/60/476612060.db2.gz WJMSZCRNLAKNSZ-IAGOWNOFSA-N 0 2 349.390 2.872 10 0 EFAELN CC1(C)CC[C@H](CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)O1 ZINC000365557592 476620814 /nfs/dbraw/zinc/62/08/14/476620814.db2.gz RLZQPIFRVIPUSN-SNVBAGLBSA-N 0 2 338.458 2.768 10 0 EFAELN COc1nn(C)cc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000352317300 476632055 /nfs/dbraw/zinc/63/20/55/476632055.db2.gz GBZAHNQSTVLASQ-UHFFFAOYSA-N 0 2 337.445 2.772 10 0 EFAELN CC(C)(C)c1nsc(NS(=O)(=O)c2cccc3ncccc32)n1 ZINC000442599732 476697584 /nfs/dbraw/zinc/69/75/84/476697584.db2.gz NOAURCLNTAPVJD-UHFFFAOYSA-N 0 2 348.453 2.607 10 0 EFAELN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)ns2)o1 ZINC000442601821 476697650 /nfs/dbraw/zinc/69/76/50/476697650.db2.gz RMWTYTRZXQUGOM-UHFFFAOYSA-N 0 2 341.439 2.699 10 0 EFAELN CO[C@@H](C)CN(C(=O)N=c1nc(-c2ccccc2)[nH]s1)C(C)C ZINC000354522042 476706500 /nfs/dbraw/zinc/70/65/00/476706500.db2.gz LKTHJIPGEZYICF-LBPRGKRZSA-N 0 2 334.445 2.904 10 0 EFAELN COC(=O)c1sc2cccc(F)c2c1CSc1n[nH]c(=O)[nH]1 ZINC000446052851 476812304 /nfs/dbraw/zinc/81/23/04/476812304.db2.gz KJTDCPYIIHZFJF-UHFFFAOYSA-N 0 2 339.373 2.943 10 0 EFAELN COc1ccc(N2CC(=O)C(C(=O)N3CC(C)(C)C[C@@H]3C)=N2)cc1 ZINC000413974550 476817019 /nfs/dbraw/zinc/81/70/19/476817019.db2.gz OEJSKQNAOZRCKD-LBPRGKRZSA-N 0 2 329.400 2.847 10 0 EFAELN C[C@@H](Sc1n[nH]c(=O)[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000446069762 476817941 /nfs/dbraw/zinc/81/79/41/476817941.db2.gz GDQPZWPGADTACA-ZCFIWIBFSA-N 0 2 332.307 2.648 10 0 EFAELN Cc1cc(C(=O)[C@H](C)Sc2n[nH]c(=O)[nH]2)c(C)n1Cc1ccco1 ZINC000446077179 476822551 /nfs/dbraw/zinc/82/25/51/476822551.db2.gz IXHAUAUFCCXFIJ-NSHDSACASA-N 0 2 346.412 2.933 10 0 EFAELN C[C@@H]1C[C@@H](CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCO1 ZINC000366071834 476849772 /nfs/dbraw/zinc/84/97/72/476849772.db2.gz FZVWZLIXIFXWMN-ZJUUUORDSA-N 0 2 338.458 2.625 10 0 EFAELN CO[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC[C@H]1C ZINC000366081321 476852855 /nfs/dbraw/zinc/85/28/55/476852855.db2.gz FIDMTRKEMUUBIP-KOLCDFICSA-N 0 2 338.458 2.577 10 0 EFAELN C/C=C/C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)C(=O)OCC ZINC000446427869 476875106 /nfs/dbraw/zinc/87/51/06/476875106.db2.gz LJXYZIRYTQRCAQ-OGOUPESXSA-N 0 2 329.755 2.812 10 0 EFAELN Cc1ccc2c(n1)[nH]cc(C(=O)NCCCC1CCOCC1)c2=O ZINC000452210160 476883870 /nfs/dbraw/zinc/88/38/70/476883870.db2.gz UFHLYSBLQLSFMM-UHFFFAOYSA-N 0 2 329.400 2.580 10 0 EFAELN O=C(c1cc(F)c(O)c(F)c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375543024 476888657 /nfs/dbraw/zinc/88/86/57/476888657.db2.gz OVZISHRZZBQHDB-SECBINFHSA-N 0 2 335.310 2.561 10 0 EFAELN Cc1nc2ccc(S(=O)(=O)Nc3cc4n(n3)CCCC4)cc2s1 ZINC000366278758 476937167 /nfs/dbraw/zinc/93/71/67/476937167.db2.gz IYWXDNXJZMNQPG-UHFFFAOYSA-N 0 2 348.453 2.938 10 0 EFAELN CO[C@H](C)c1nsc(NC2CCC(O)(c3ccccc3)CC2)n1 ZINC000375707646 476964667 /nfs/dbraw/zinc/96/46/67/476964667.db2.gz ZXGRENBNSVVNSO-RFSCMCKOSA-N 0 2 333.457 2.910 10 0 EFAELN C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(=O)[nH]n1 ZINC000375840705 477039465 /nfs/dbraw/zinc/03/94/65/477039465.db2.gz QCUYAFKJVMJRAE-AHIWAGSCSA-N 0 2 332.473 2.977 10 0 EFAELN CCOC(=O)CC1(NC(=O)c2cc(F)c(F)c(O)c2F)CCCC1 ZINC000447861839 477079091 /nfs/dbraw/zinc/07/90/91/477079091.db2.gz RDQJJHDRYOPAET-UHFFFAOYSA-N 0 2 345.317 2.805 10 0 EFAELN CC(C)[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CCO1 ZINC000447999997 477113812 /nfs/dbraw/zinc/11/38/12/477113812.db2.gz MBHNNMKIELVYEB-LLVKDONJSA-N 0 2 338.458 2.577 10 0 EFAELN COCC1CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000448008944 477115402 /nfs/dbraw/zinc/11/54/02/477115402.db2.gz MSFHHRRVJFGXIE-UHFFFAOYSA-N 0 2 338.458 2.579 10 0 EFAELN O=C(N[C@H]([C@H](CO)C1CC1)C1CC1)c1cc(F)c(O)c(Cl)c1 ZINC000452927967 477128336 /nfs/dbraw/zinc/12/83/36/477128336.db2.gz JTWXOYZTRUSRJU-RISCZKNCSA-N 0 2 327.783 2.712 10 0 EFAELN CC1(C)OCC[C@H]1NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000452950364 477130403 /nfs/dbraw/zinc/13/04/03/477130403.db2.gz RTXPWJGHCGOWHH-CYBMUJFWSA-N 0 2 335.791 2.529 10 0 EFAELN Cc1ccncc1CN(C)C(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000432230024 477180779 /nfs/dbraw/zinc/18/07/79/477180779.db2.gz WZTTYMBYWWBQAV-UHFFFAOYSA-N 0 2 333.395 2.933 10 0 EFAELN Cc1ccsc1-c1nc(=NC(=O)N=c2ccn(C(C)C)[nH]2)s[nH]1 ZINC000432407922 477211440 /nfs/dbraw/zinc/21/14/40/477211440.db2.gz QJJSWVCCJQUOED-UHFFFAOYSA-N 0 2 348.457 2.840 10 0 EFAELN O=C(NC[C@@H]1CCCCO1)c1cc(Br)c(F)cc1O ZINC000448798012 477292679 /nfs/dbraw/zinc/29/26/79/477292679.db2.gz UTZXSEVTEIBTDO-QMMMGPOBSA-N 0 2 332.169 2.593 10 0 EFAELN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccoc3)sc2C1 ZINC000424220247 477335244 /nfs/dbraw/zinc/33/52/44/477335244.db2.gz HIHPWQJKUIURFW-UHFFFAOYSA-N 0 2 341.458 2.694 10 0 EFAELN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccoc3)sc2C1 ZINC000424220247 477335250 /nfs/dbraw/zinc/33/52/50/477335250.db2.gz HIHPWQJKUIURFW-UHFFFAOYSA-N 0 2 341.458 2.694 10 0 EFAELN CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccccc1 ZINC000424271436 477349557 /nfs/dbraw/zinc/34/95/57/477349557.db2.gz RYAHFXYWBJLHIA-JLSDUUJJSA-N 0 2 332.444 2.685 10 0 EFAELN CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccccc1 ZINC000424271436 477349565 /nfs/dbraw/zinc/34/95/65/477349565.db2.gz RYAHFXYWBJLHIA-JLSDUUJJSA-N 0 2 332.444 2.685 10 0 EFAELN CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424273148 477351249 /nfs/dbraw/zinc/35/12/49/477351249.db2.gz WAXHUPCQRWNJQQ-SCLBCKFNSA-N 0 2 332.444 2.935 10 0 EFAELN CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424273148 477351253 /nfs/dbraw/zinc/35/12/53/477351253.db2.gz WAXHUPCQRWNJQQ-SCLBCKFNSA-N 0 2 332.444 2.935 10 0 EFAELN CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424273149 477352163 /nfs/dbraw/zinc/35/21/63/477352163.db2.gz WAXHUPCQRWNJQQ-UGSOOPFHSA-N 0 2 332.444 2.935 10 0 EFAELN CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424273149 477352169 /nfs/dbraw/zinc/35/21/69/477352169.db2.gz WAXHUPCQRWNJQQ-UGSOOPFHSA-N 0 2 332.444 2.935 10 0 EFAELN C[C@@H]1COCC[C@H]1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000435750368 477364245 /nfs/dbraw/zinc/36/42/45/477364245.db2.gz NFYGPWNQFGOLOE-BXKDBHETSA-N 0 2 337.832 2.892 10 0 EFAELN CCOc1ccc(NS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)cc1 ZINC000416942272 477379940 /nfs/dbraw/zinc/37/99/40/477379940.db2.gz JMEXSBBWWWGILN-LBPRGKRZSA-N 0 2 335.429 2.980 10 0 EFAELN C[C@@H]1CSC[C@@H]1NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000376603252 477425517 /nfs/dbraw/zinc/42/55/17/477425517.db2.gz YDDBEQKJODXFCK-APPZFPTMSA-N 0 2 326.472 2.562 10 0 EFAELN CC(C)Cc1nsc(NCCc2cc(-c3ccncc3)n[nH]2)n1 ZINC000436423513 477479222 /nfs/dbraw/zinc/47/92/22/477479222.db2.gz UTOYJQLQGCVQQE-UHFFFAOYSA-N 0 2 328.445 2.598 10 0 EFAELN CC(C)n1c[nH+]cc1CN=c1[n-]nc(CCOc2ccccc2)o1 ZINC000424711195 477489705 /nfs/dbraw/zinc/48/97/05/477489705.db2.gz BYPOZLVYXPFMHO-UHFFFAOYSA-N 0 2 327.388 2.503 10 0 EFAELN CC[C@@H](NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)C(F)F ZINC000455114806 477505348 /nfs/dbraw/zinc/50/53/48/477505348.db2.gz QCMYRTPJIVXIEG-SNVBAGLBSA-N 0 2 342.371 2.801 10 0 EFAELN COc1cccc(-c2nc(=NC(=O)N3CC[C@H]3C(C)C)s[nH]2)c1 ZINC000455115490 477505522 /nfs/dbraw/zinc/50/55/22/477505522.db2.gz QXTSSRIWGMUJDS-ZDUSSCGKSA-N 0 2 332.429 2.898 10 0 EFAELN COc1cccc(-c2nc(=NC(=O)c3cc(F)ccc3O)s[nH]2)c1 ZINC000436552454 477513236 /nfs/dbraw/zinc/51/32/36/477513236.db2.gz DEMXLODFQBBBCG-UHFFFAOYSA-N 0 2 345.355 2.733 10 0 EFAELN CC(C)c1ccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(O)c1 ZINC000436581563 477522224 /nfs/dbraw/zinc/52/22/24/477522224.db2.gz JCWYDYQKPRFZRL-UHFFFAOYSA-N 0 2 338.367 2.743 10 0 EFAELN CC[C@H](C)[C@H](CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)OC ZINC000455162986 477525071 /nfs/dbraw/zinc/52/50/71/477525071.db2.gz SRLJLBJLQWVYEG-ONGXEEELSA-N 0 2 340.474 2.871 10 0 EFAELN COc1cccc(S(O)=CC(=O)N2CCC(C)(C3CC3)CC2)c1 ZINC000424832712 477536882 /nfs/dbraw/zinc/53/68/82/477536882.db2.gz SFOADZUEDJSYFZ-HSZRJFAPSA-N 0 2 335.469 2.842 10 0 EFAELN CCn1nccc1S(=O)(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000376881715 477547231 /nfs/dbraw/zinc/54/72/31/477547231.db2.gz IKHUPAUAGKZVNL-UHFFFAOYSA-N 0 2 332.385 2.667 10 0 EFAELN COc1cccc(S(O)=CC(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424974773 477580252 /nfs/dbraw/zinc/58/02/52/477580252.db2.gz BBQSBSXNQCRTJZ-READRUSDSA-N 0 2 347.411 2.556 10 0 EFAELN CCC1(NC(=O)c2cc(Br)c(F)cc2O)CCOCC1 ZINC000450473334 477599492 /nfs/dbraw/zinc/59/94/92/477599492.db2.gz YKHMSKXLYNGDHE-UHFFFAOYSA-N 0 2 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EFAELN CCC(=O)N(CCCNC(=O)[C@H](F)C(F)(F)F)CC1CCCC1 ZINC001719029506 1422642464 /nfs/dbraw/zinc/64/24/64/1422642464.db2.gz LIMQSVWGNZNMAJ-ZDUSSCGKSA-N 0 2 340.361 2.822 10 0 EFAELN CN(CCCNC(=O)CC1(C)CCCC1)C(=O)C(F)C(F)(F)F ZINC001720475760 1422962438 /nfs/dbraw/zinc/96/24/38/1422962438.db2.gz DAABWUDPTJPKFZ-GFCCVEGCSA-N 0 2 340.361 2.822 10 0 EFAELN CN(CCCNC(=O)CC1(C)CCCC1)C(=O)[C@@H](F)C(F)(F)F ZINC001720475760 1422962442 /nfs/dbraw/zinc/96/24/42/1422962442.db2.gz DAABWUDPTJPKFZ-GFCCVEGCSA-N 0 2 340.361 2.822 10 0 EFAELN CCC(CC)C(=O)NCCCN(CC)C(=O)C(F)C(F)(F)F ZINC001720587758 1423054109 /nfs/dbraw/zinc/05/41/09/1423054109.db2.gz DGTDGTTVYYGQBN-NSHDSACASA-N 0 2 328.350 2.678 10 0 EFAELN CCC(CC)C(=O)NCCCN(CC)C(=O)[C@H](F)C(F)(F)F ZINC001720587758 1423054114 /nfs/dbraw/zinc/05/41/14/1423054114.db2.gz DGTDGTTVYYGQBN-NSHDSACASA-N 0 2 328.350 2.678 10 0 EFAELN CCC[C@H](C)C(=O)NCCCN(CC)C(=O)C(F)C(F)(F)F ZINC001720593543 1423059661 /nfs/dbraw/zinc/05/96/61/1423059661.db2.gz IEIBHWWOFPLARV-WDEREUQCSA-N 0 2 328.350 2.678 10 0 EFAELN CCC[C@H](C)C(=O)NCCCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC001720593543 1423059669 /nfs/dbraw/zinc/05/96/69/1423059669.db2.gz IEIBHWWOFPLARV-WDEREUQCSA-N 0 2 328.350 2.678 10 0 EFAELN CCN(CCCNC(=O)C1(C)CC=CC1)C(=O)C(F)C(F)(F)F ZINC001720632326 1423096893 /nfs/dbraw/zinc/09/68/93/1423096893.db2.gz NZCUXKJGYPKMFO-LLVKDONJSA-N 0 2 338.345 2.598 10 0 EFAELN CCN(CCCNC(=O)C1(C)CC=CC1)C(=O)[C@@H](F)C(F)(F)F ZINC001720632326 1423096898 /nfs/dbraw/zinc/09/68/98/1423096898.db2.gz NZCUXKJGYPKMFO-LLVKDONJSA-N 0 2 338.345 2.598 10 0 EFAELN CC1(NC(=O)c2cccc(Nc3nn[nH]n3)c2)CCC(F)(F)CC1 ZINC000907320167 1429623562 /nfs/dbraw/zinc/62/35/62/1429623562.db2.gz HLDMCPLQQRCVGB-UHFFFAOYSA-N 0 2 336.346 2.641 10 0 EFAELN CC1=CC[C@@](C)(C(=O)N(C)CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001721088449 1423456925 /nfs/dbraw/zinc/45/69/25/1423456925.db2.gz HQTUOPXTFZTQFR-BXUZGUMPSA-N 0 2 338.345 2.598 10 0 EFAELN CC1=CC[C@@](C)(C(=O)N(C)CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001721088449 1423456929 /nfs/dbraw/zinc/45/69/29/1423456929.db2.gz HQTUOPXTFZTQFR-BXUZGUMPSA-N 0 2 338.345 2.598 10 0 EFAELN CC(C)N(CCCNC(=O)C(F)C(F)(F)F)C(=O)CCC1CC1 ZINC001721264363 1423594805 /nfs/dbraw/zinc/59/48/05/1423594805.db2.gz MTMZBPHNEFBKHM-ZDUSSCGKSA-N 0 2 340.361 2.820 10 0 EFAELN CC(C)N(CCCNC(=O)[C@H](F)C(F)(F)F)C(=O)CCC1CC1 ZINC001721264363 1423594812 /nfs/dbraw/zinc/59/48/12/1423594812.db2.gz MTMZBPHNEFBKHM-ZDUSSCGKSA-N 0 2 340.361 2.820 10 0 EFAELN CC/C(C)=C/C(=O)N(C)C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001721308608 1423639542 /nfs/dbraw/zinc/63/95/42/1423639542.db2.gz WNZWRIXLMGNZOJ-GCMXNLHISA-N 0 2 338.345 2.550 10 0 EFAELN CC/C(C)=C/C(=O)N(C)C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001721308608 1423639546 /nfs/dbraw/zinc/63/95/46/1423639546.db2.gz WNZWRIXLMGNZOJ-GCMXNLHISA-N 0 2 338.345 2.550 10 0 EFAELN CC/C=C(\C)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC001721514556 1423776341 /nfs/dbraw/zinc/77/63/41/1423776341.db2.gz SXEIJIKEMHJNLO-CDCCAWJDSA-N 0 2 338.345 2.788 10 0 EFAELN CC/C=C(\C)C(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC001721514556 1423776345 /nfs/dbraw/zinc/77/63/45/1423776345.db2.gz SXEIJIKEMHJNLO-CDCCAWJDSA-N 0 2 338.345 2.788 10 0 EFAELN CCCCCC(=O)NC[C@H](NC(=O)C(F)C(F)(F)F)C(C)C ZINC001721656273 1423906602 /nfs/dbraw/zinc/90/66/02/1423906602.db2.gz LZCDZKHJCUSESF-CMPLNLGQSA-N 0 2 328.350 2.724 10 0 EFAELN CCCCCC(=O)NC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C(C)C ZINC001721656273 1423906609 /nfs/dbraw/zinc/90/66/09/1423906609.db2.gz LZCDZKHJCUSESF-CMPLNLGQSA-N 0 2 328.350 2.724 10 0 EFAELN CC(C)[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)/C=C\C(C)(C)C ZINC001721672468 1423920458 /nfs/dbraw/zinc/92/04/58/1423920458.db2.gz GHZULFBJVPABPJ-ZHLQDTFKSA-N 0 2 340.361 2.746 10 0 EFAELN CC(C)[C@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)/C=C\C(C)(C)C ZINC001721672468 1423920460 /nfs/dbraw/zinc/92/04/60/1423920460.db2.gz GHZULFBJVPABPJ-ZHLQDTFKSA-N 0 2 340.361 2.746 10 0 EFAELN CCC(=CC(=O)N(C)CCN(C)C(=O)C(F)C(F)(F)F)CC ZINC001721702318 1423938397 /nfs/dbraw/zinc/93/83/97/1423938397.db2.gz WKHCWODBIPJCDL-GFCCVEGCSA-N 0 2 326.334 2.550 10 0 EFAELN CCC(=CC(=O)N(C)CCN(C)C(=O)[C@@H](F)C(F)(F)F)CC ZINC001721702318 1423938401 /nfs/dbraw/zinc/93/84/01/1423938401.db2.gz WKHCWODBIPJCDL-GFCCVEGCSA-N 0 2 326.334 2.550 10 0 EFAELN CC(C)=C(C)CC(=O)N1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001722203650 1424261630 /nfs/dbraw/zinc/26/16/30/1424261630.db2.gz IJIUDUGEUASBBZ-JSGCOSHPSA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=C(C)CC(=O)N1CC[C@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001722203650 1424261635 /nfs/dbraw/zinc/26/16/35/1424261635.db2.gz IJIUDUGEUASBBZ-JSGCOSHPSA-N 0 2 338.345 2.740 10 0 EFAELN O=C(NCC1=CCN(C/C(Cl)=C\Cl)CC1)C(F)C(F)(F)F ZINC001725817214 1425876540 /nfs/dbraw/zinc/87/65/40/1425876540.db2.gz DJCZYMCUZXSBQD-CYNRKNSPSA-N 0 2 349.155 2.954 10 0 EFAELN O=C(NCC1=CCN(C/C(Cl)=C\Cl)CC1)[C@H](F)C(F)(F)F ZINC001725817214 1425876544 /nfs/dbraw/zinc/87/65/44/1425876544.db2.gz DJCZYMCUZXSBQD-CYNRKNSPSA-N 0 2 349.155 2.954 10 0 EFAELN C/C(=C/C(=O)N[C@H](C)CCCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001726264266 1426203819 /nfs/dbraw/zinc/20/38/19/1426203819.db2.gz ZPJYWKLCMNTXDF-VSJCKABYSA-N 0 2 338.345 2.644 10 0 EFAELN C/C(=C/C(=O)N[C@H](C)CCCNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001726264266 1426203828 /nfs/dbraw/zinc/20/38/28/1426203828.db2.gz ZPJYWKLCMNTXDF-VSJCKABYSA-N 0 2 338.345 2.644 10 0 EFAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N(Cc1cccs1)C1CC1 ZINC000900113967 1426220325 /nfs/dbraw/zinc/22/03/25/1426220325.db2.gz GOJYPTBGZWWLRV-UHFFFAOYSA-N 0 2 340.412 2.810 10 0 EFAELN CC[C@@H](CNC(=O)c1cccc(Nc2nn[nH]n2)c1)CC(F)(F)F ZINC000910435710 1427064280 /nfs/dbraw/zinc/06/42/80/1427064280.db2.gz SSSVGZLZAVOPIP-SECBINFHSA-N 0 2 342.325 2.652 10 0 EFAELN CCN(C(=O)c1cccc(Nc2nn[nH]n2)c1)[C@@H]1CCCC[C@H]1C ZINC000900531344 1427376667 /nfs/dbraw/zinc/37/66/67/1427376667.db2.gz ZHNWKKZBZHATAD-IUODEOHRSA-N 0 2 328.420 2.984 10 0 EFAELN CCS[C@H]1CCCCN(C(=O)c2cccc(Nc3nn[nH]n3)c2)C1 ZINC000863948881 1427418312 /nfs/dbraw/zinc/41/83/12/1427418312.db2.gz SBVHDXMDRBWVFU-AWEZNQCLSA-N 0 2 346.460 2.691 10 0 EFAELN C[C@H]1CC[C@@]2(CCN(C(=O)c3cccc(Nc4nn[nH]n4)c3)C2)C1 ZINC000907297027 1429949564 /nfs/dbraw/zinc/94/95/64/1429949564.db2.gz VFOPHIDCSACHAD-YVEFUNNKSA-N 0 2 326.404 2.596 10 0 EFAELN CCOc1ccc(NC(=O)c2cccc(Nc3nn[nH]n3)c2)cc1F ZINC001136336720 1430130442 /nfs/dbraw/zinc/13/04/42/1430130442.db2.gz CJZDELPHKPRCMT-UHFFFAOYSA-N 0 2 342.334 2.733 10 0 EFAELN Cc1cccc(CC2CN(C(=O)c3cccc(Nc4nn[nH]n4)c3)C2)c1 ZINC000900999438 1441570934 /nfs/dbraw/zinc/57/09/34/1441570934.db2.gz OJCIDFJAWUELNE-UHFFFAOYSA-N 0 2 348.410 2.566 10 0 EFAELN CCC1(CC)CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)CCS1 ZINC000907414392 1442115491 /nfs/dbraw/zinc/11/54/91/1442115491.db2.gz WBBAKSFCWAYSPO-UHFFFAOYSA-N 0 2 346.460 2.691 10 0 EFAELN CC1(C)CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)[C@H]1c1cccnc1 ZINC000908344475 1443449999 /nfs/dbraw/zinc/44/99/99/1443449999.db2.gz YASGUFSOPVDFDX-HNNXBMFYSA-N 0 2 349.398 2.562 10 0 EFAELN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000900735329 1443485402 /nfs/dbraw/zinc/48/54/02/1443485402.db2.gz BLSGHJFSMWBIPT-TYNCELHUSA-N 0 2 326.404 2.737 10 0 EFAELN C[C@@H](NC(=O)c1cccc(Nc2nn[nH]n2)c1)c1ccc(F)cc1F ZINC001149131330 1443595146 /nfs/dbraw/zinc/59/51/46/1443595146.db2.gz NZEKSQMIGZRFJW-SECBINFHSA-N 0 2 344.325 2.713 10 0 EFAELN CC(C)N(Cc1ccco1)C(=O)c1cccc(Nc2nn[nH]n2)c1 ZINC000900424160 1446352278 /nfs/dbraw/zinc/35/22/78/1446352278.db2.gz XKCLZEUJUROEQU-UHFFFAOYSA-N 0 2 326.360 2.587 10 0 EFAELN O=C(c1cccc(Nc2nn[nH]n2)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC001119532838 1446463707 /nfs/dbraw/zinc/46/37/07/1446463707.db2.gz NKQXWXQSQRTERA-OAHLLOKOSA-N 0 2 348.410 2.648 10 0 EFAELN CSCC1CCC(NC(=O)c2cccc(Nc3nn[nH]n3)c2)CC1 ZINC000908553721 1446677233 /nfs/dbraw/zinc/67/72/33/1446677233.db2.gz IQGGXLHPWDLLSM-UHFFFAOYSA-N 0 2 346.460 2.595 10 0 EFAELN CC1(C)CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)[C@H]1c1ccco1 ZINC000913427957 1449099197 /nfs/dbraw/zinc/09/91/97/1449099197.db2.gz QIMBBGMMZHFZBM-AWEZNQCLSA-N 0 2 338.371 2.760 10 0 EFAELN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(Nc2nn[nH]n2)c1 ZINC000900836843 1449746615 /nfs/dbraw/zinc/74/66/15/1449746615.db2.gz TVCPTLWGCMGIFH-HUUCEWRRSA-N 0 2 326.404 2.642 10 0 EFAELN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000891245012 714130163 /nfs/dbraw/zinc/13/01/63/714130163.db2.gz RKQYKQGLHBAKNQ-SHUKQUCYSA-N 0 2 346.427 2.886 10 0 EFAELN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccsc2)c1 ZINC000161421980 715851229 /nfs/dbraw/zinc/85/12/29/715851229.db2.gz JCSDRGVCJXKOLA-UHFFFAOYSA-N 0 2 344.845 2.904 10 0 EFAELN CCSc1c[nH]c(=O)c(C(=O)OCc2cc(CO)ccc2F)c1 ZINC000924079383 718205749 /nfs/dbraw/zinc/20/57/49/718205749.db2.gz WCYSZAFTCUXDNJ-UHFFFAOYSA-N 0 2 337.372 2.888 10 0 EFAELN O=S(=O)(Nc1ccc(Cl)nc1)c1ccc(C(F)(F)F)nc1 ZINC000181213735 720014509 /nfs/dbraw/zinc/01/45/09/720014509.db2.gz LCBKTSNTWGREHG-UHFFFAOYSA-N 0 2 337.710 2.950 10 0 EFAELN CCCCc1nnc(NS(=O)(=O)c2cccc3ncccc32)o1 ZINC000194800400 721063790 /nfs/dbraw/zinc/06/37/90/721063790.db2.gz OSTZSQWFTRVROU-UHFFFAOYSA-N 0 2 332.385 2.761 10 0 EFAELN O=C(c1cc(F)c(O)c(F)c1)N1CCS[C@H](C(F)(F)F)C1 ZINC000928135141 721979684 /nfs/dbraw/zinc/97/96/84/721979684.db2.gz GGJGQVZDQFKJRA-VIFPVBQESA-N 0 2 327.274 2.790 10 0 EFAELN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2ccccc2OC(C)C)[n-]1 ZINC000895234132 723905276 /nfs/dbraw/zinc/90/52/76/723905276.db2.gz AWRXNXCVTPNPET-LBPRGKRZSA-N 0 2 332.404 2.619 10 0 EFAELN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2cnc(C3CCCC3)s2)[n-]1 ZINC000895235914 723909392 /nfs/dbraw/zinc/90/93/92/723909392.db2.gz OXAXVOLYCOUVDH-SNVBAGLBSA-N 0 2 349.460 2.946 10 0 EFAELN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2cnc(C3CCC3)s2)[n-]1 ZINC000895237179 723917763 /nfs/dbraw/zinc/91/77/63/723917763.db2.gz VJSNEXVXUXMJFV-SECBINFHSA-N 0 2 335.433 2.556 10 0 EFAELN CCOC(=O)c1n[nH]c([C@@H](C)NCc2cnc3c(F)cccc3c2)n1 ZINC000895243437 723931095 /nfs/dbraw/zinc/93/10/95/723931095.db2.gz 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CCOC(=O)CN(C(=O)c1cc(F)c(O)c(Cl)c1)C1CCC1 ZINC000446425613 476875233 /nfs/dbraw/zinc/87/52/33/476875233.db2.gz LDDKUOPJWULUGJ-UHFFFAOYSA-N 0 2 329.755 2.743 10 0 EFAELN O=C(NCCCC1CCOCC1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000452205444 476881344 /nfs/dbraw/zinc/88/13/44/476881344.db2.gz IDNHHGVZKNSJOL-UHFFFAOYSA-N 0 2 347.390 2.654 10 0 EFAELN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000446958799 476937358 /nfs/dbraw/zinc/93/73/58/476937358.db2.gz RTFDQEAXNNKDNQ-UHFFFAOYSA-N 0 2 349.412 2.657 10 0 EFAELN Cc1cc(F)ccc1S(=O)(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446956928 476937602 /nfs/dbraw/zinc/93/76/02/476937602.db2.gz JXILDBLLDQXETO-UHFFFAOYSA-N 0 2 338.389 2.782 10 0 EFAELN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)o2)o1 ZINC000446968790 476938869 /nfs/dbraw/zinc/93/88/69/476938869.db2.gz ALBGWKBVVYWZIT-UHFFFAOYSA-N 0 2 337.332 2.502 10 0 EFAELN Cc1ccsc1S(=O)(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000447260268 476968456 /nfs/dbraw/zinc/96/84/56/476968456.db2.gz JKPQTVASPQOMDZ-UHFFFAOYSA-N 0 2 334.422 2.709 10 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EFAELN CCCCCCC(=O)N1CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001505750882 1405024061 /nfs/dbraw/zinc/02/40/61/1405024061.db2.gz ULMHAPIMFHHQCP-ZYHUDNBSSA-N 0 2 326.334 2.574 10 0 EFAELN C/C=C(/C)C(=O)N1CCCCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001509357109 1407936595 /nfs/dbraw/zinc/93/65/95/1407936595.db2.gz MKWIXNRYGFEYKD-GOUGKVJDSA-N 0 2 338.345 2.740 10 0 EFAELN C/C=C(/C)C(=O)N1CCCCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001509357109 1407936600 /nfs/dbraw/zinc/93/66/00/1407936600.db2.gz MKWIXNRYGFEYKD-GOUGKVJDSA-N 0 2 338.345 2.740 10 0 EFAELN CCCCCC(=O)N[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC1(C)C ZINC001509549994 1408028796 /nfs/dbraw/zinc/02/87/96/1408028796.db2.gz VUTRHKQTOYDLCA-PWSUYJOCSA-N 0 2 340.361 2.820 10 0 EFAELN CCCCCC(=O)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC1(C)C ZINC001509549994 1408028790 /nfs/dbraw/zinc/02/87/90/1408028790.db2.gz VUTRHKQTOYDLCA-PWSUYJOCSA-N 0 2 340.361 2.820 10 0 EFAELN C[C@@H](CCCNC(=O)C(F)C(F)(F)F)NC(=O)c1cccs1 ZINC001509955361 1408181424 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CCC1(C(=O)N[C@H](CCNC(=O)C(F)C(F)(F)F)C(C)C)CC1 ZINC001510261383 1412598864 /nfs/dbraw/zinc/59/88/64/1412598864.db2.gz FKAIZYNCOOAPTD-GHMZBOCLSA-N 0 2 340.361 2.724 10 0 EFAELN CCC1(C(=O)N[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)C(C)C)CC1 ZINC001510261383 1412598870 /nfs/dbraw/zinc/59/88/70/1412598870.db2.gz FKAIZYNCOOAPTD-GHMZBOCLSA-N 0 2 340.361 2.724 10 0 EFAELN C[C@H](CN(C)C(=O)CC1(C)CCCC1)NC(=O)C(F)C(F)(F)F ZINC001510547734 1412737228 /nfs/dbraw/zinc/73/72/28/1412737228.db2.gz JJMBACHLTAKNPP-PWSUYJOCSA-N 0 2 340.361 2.820 10 0 EFAELN C[C@H](CN(C)C(=O)CC1(C)CCCC1)NC(=O)[C@H](F)C(F)(F)F ZINC001510547734 1412737233 /nfs/dbraw/zinc/73/72/33/1412737233.db2.gz JJMBACHLTAKNPP-PWSUYJOCSA-N 0 2 340.361 2.820 10 0 EFAELN CN(C(=O)C(F)C(F)(F)F)C1CC(NC(=O)/C=C/C(C)(C)C)C1 ZINC001511952634 1413211124 /nfs/dbraw/zinc/21/11/24/1413211124.db2.gz UAHILNQUSJFTAL-SYFGNTESSA-N 0 2 338.345 2.595 10 0 EFAELN CN(C(=O)[C@H](F)C(F)(F)F)C1CC(NC(=O)/C=C/C(C)(C)C)C1 ZINC001511952634 1413211127 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Cc1ccc(-c2nc(C(=O)N[C@H](C)c3nn(C)cc3O)cs2)o1 ZINC001558683029 1415195824 /nfs/dbraw/zinc/19/58/24/1415195824.db2.gz SGGGTOZCZZHPTN-SECBINFHSA-N 0 2 332.385 2.642 10 0 EFAELN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CC=CC[C@H]3C)=N2)cc1 ZINC001558761310 1415199813 /nfs/dbraw/zinc/19/98/13/1415199813.db2.gz WHVGTLBHJYAMOM-IUODEOHRSA-N 0 2 327.384 2.671 10 0 EFAELN O=C(NCCC[N@H+](Cc1ccsc1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001566590371 1415674567 /nfs/dbraw/zinc/67/45/67/1415674567.db2.gz WLSIAJRHLJGHMU-HZPDHXFCSA-N 0 2 344.484 2.746 10 0 EFAELN Cc1cc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)cc2n[nH]cc21 ZINC001567100983 1415933258 /nfs/dbraw/zinc/93/32/58/1415933258.db2.gz MMWIKCACJCHCJH-UHFFFAOYSA-N 0 2 341.371 2.802 10 0 EFAELN Cc1cc(NC(=O)c2cc(C(=O)OC(C)(C)C)[nH]n2)cc2n[nH]cc21 ZINC001567100983 1415933262 /nfs/dbraw/zinc/93/32/62/1415933262.db2.gz MMWIKCACJCHCJH-UHFFFAOYSA-N 0 2 341.371 2.802 10 0 EFAELN CCOCCCC(=O)NC1CN([C@@H]2CCc3c2cccc3Cl)C1 ZINC001567784597 1416283391 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CC(C)CC(C)(C)C(=O)NCCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001687630130 1416845064 /nfs/dbraw/zinc/84/50/64/1416845064.db2.gz BQAPRNAZQJJKQY-NSHDSACASA-N 0 2 342.377 2.924 10 0 EFAELN CCCN(CCNC(=O)C(F)C(F)(F)F)C(=O)[C@]1(C)C=CCC1 ZINC001688466698 1416971532 /nfs/dbraw/zinc/97/15/32/1416971532.db2.gz XHLQIUHTMRKVGC-SMDDNHRTSA-N 0 2 338.345 2.598 10 0 EFAELN CCCN(CCNC(=O)[C@H](F)C(F)(F)F)C(=O)[C@]1(C)C=CCC1 ZINC001688466698 1416971533 /nfs/dbraw/zinc/97/15/33/1416971533.db2.gz XHLQIUHTMRKVGC-SMDDNHRTSA-N 0 2 338.345 2.598 10 0 EFAELN CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)C(F)C(F)(F)F)[C@H]1CC ZINC001702628743 1417740050 /nfs/dbraw/zinc/74/00/50/1417740050.db2.gz JXWXLZPVEZMAQG-WBZFSLKZSA-N 0 2 338.345 2.739 10 0 EFAELN CC/C(C)=C/C(=O)N1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)[C@H]1CC ZINC001702628743 1417740054 /nfs/dbraw/zinc/74/00/54/1417740054.db2.gz JXWXLZPVEZMAQG-WBZFSLKZSA-N 0 2 338.345 2.739 10 0 EFAELN C=C/C(C)=C\CC(=O)N1CC[C@H](NC(=O)C(F)C(F)(F)F)[C@H]1C ZINC001702702633 1417752558 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/nfs/dbraw/zinc/56/91/62/1318569162.db2.gz VAOFCFROMRFLKN-XWIASGKRSA-N 0 2 338.345 2.596 10 0 EFAELN CC/C(C)=C/C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001282006815 1318659990 /nfs/dbraw/zinc/65/99/90/1318659990.db2.gz NDPWRQKEJRIYCI-ZRJIOGGTSA-N 0 2 338.345 2.787 10 0 EFAELN CC/C(C)=C/C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001282006815 1318660001 /nfs/dbraw/zinc/66/00/01/1318660001.db2.gz NDPWRQKEJRIYCI-ZRJIOGGTSA-N 0 2 338.345 2.787 10 0 EFAELN C/C=C(/C)C(=O)NCCCCCCN(C)C(=O)C(F)C(F)(F)F ZINC001282236348 1318793460 /nfs/dbraw/zinc/79/34/60/1318793460.db2.gz JVIDDVJAQRPOEN-MCWZUMHDSA-N 0 2 340.361 2.988 10 0 EFAELN C/C=C(/C)C(=O)NCCCCCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001282236348 1318793461 /nfs/dbraw/zinc/79/34/61/1318793461.db2.gz JVIDDVJAQRPOEN-MCWZUMHDSA-N 0 2 340.361 2.988 10 0 EFAELN CC[C@@H](CC(=O)NCCNC(=O)C(F)C(F)(F)F)C(C)(C)C ZINC001283060655 1319295204 /nfs/dbraw/zinc/29/52/04/1319295204.db2.gz XODAQOFSPPRLBP-ONGXEEELSA-N 0 2 328.350 2.582 10 0 EFAELN CC[C@@H](CC(=O)NCCNC(=O)[C@H](F)C(F)(F)F)C(C)(C)C ZINC001283060655 1319295212 /nfs/dbraw/zinc/29/52/12/1319295212.db2.gz XODAQOFSPPRLBP-ONGXEEELSA-N 0 2 328.350 2.582 10 0 EFAELN CCC(=CC(=O)N(C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1)CC ZINC001283385599 1319624917 /nfs/dbraw/zinc/62/49/17/1319624917.db2.gz VQARQYVBOPCDLL-AAEUAGOBSA-N 0 2 338.345 2.693 10 0 EFAELN CCC(=CC(=O)N(C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1)CC ZINC001283385599 1319624926 /nfs/dbraw/zinc/62/49/26/1319624926.db2.gz VQARQYVBOPCDLL-AAEUAGOBSA-N 0 2 338.345 2.693 10 0 EFAELN CN(CCCNC(=O)C[C@@H]1C=CCCC1)C(=O)C(F)C(F)(F)F ZINC001283578551 1319844197 /nfs/dbraw/zinc/84/41/97/1319844197.db2.gz ZHWUDUWVRBZQLF-DGCLKSJQSA-N 0 2 338.345 2.598 10 0 EFAELN CN(CCCNC(=O)C[C@@H]1C=CCCC1)C(=O)[C@@H](F)C(F)(F)F ZINC001283578551 1319844210 /nfs/dbraw/zinc/84/42/10/1319844210.db2.gz ZHWUDUWVRBZQLF-DGCLKSJQSA-N 0 2 338.345 2.598 10 0 EFAELN CC[C@@H](CC(C)C)C(=O)NCCCN(C)C(=O)C(F)C(F)(F)F ZINC001283656684 1319940735 /nfs/dbraw/zinc/94/07/35/1319940735.db2.gz GTJXOMMQHPHQRR-NWDGAFQWSA-N 0 2 342.377 2.924 10 0 EFAELN CC[C@@H](CC(C)C)C(=O)NCCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001283656684 1319940742 /nfs/dbraw/zinc/94/07/42/1319940742.db2.gz GTJXOMMQHPHQRR-NWDGAFQWSA-N 0 2 342.377 2.924 10 0 EFAELN CC/C=C(/C)C(=O)NCCCN(CC)C(=O)C(F)C(F)(F)F ZINC001283699214 1319977469 /nfs/dbraw/zinc/97/74/69/1319977469.db2.gz UQKGHKZTTFLWRZ-ZJRUKIMVSA-N 0 2 326.334 2.598 10 0 EFAELN CC/C=C(/C)C(=O)NCCCN(CC)C(=O)[C@@H](F)C(F)(F)F ZINC001283699214 1319977474 /nfs/dbraw/zinc/97/74/74/1319977474.db2.gz UQKGHKZTTFLWRZ-ZJRUKIMVSA-N 0 2 326.334 2.598 10 0 EFAELN CC(C)=CC(=O)N1CCC[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283967880 1320119336 /nfs/dbraw/zinc/11/93/36/1320119336.db2.gz BNIWQRZJFIFHFF-WCQYABFASA-N 0 2 338.345 2.550 10 0 EFAELN CC(C)=CC(=O)N1CCC[C@@H](CN(C)C(=O)C(F)C(F)(F)F)C1 ZINC001283967880 1320119331 /nfs/dbraw/zinc/11/93/31/1320119331.db2.gz BNIWQRZJFIFHFF-WCQYABFASA-N 0 2 338.345 2.550 10 0 EFAELN O=C(CC1=CCCCC1)N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001284078990 1320182943 /nfs/dbraw/zinc/18/29/43/1320182943.db2.gz BCHYGROUKOWNSQ-LOWVWBTDSA-N 0 2 336.329 2.541 10 0 EFAELN O=C(CC1=CCCCC1)N[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284078990 1320182945 /nfs/dbraw/zinc/18/29/45/1320182945.db2.gz BCHYGROUKOWNSQ-LOWVWBTDSA-N 0 2 336.329 2.541 10 0 EFAELN CCCCC[C@H](CC)C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284910455 1320591484 /nfs/dbraw/zinc/59/14/84/1320591484.db2.gz PERAOEWLTIKZOT-JQWIXIFHSA-N 0 2 340.361 2.820 10 0 EFAELN CCCCC[C@H](CC)C(=O)NC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001284910455 1320591487 /nfs/dbraw/zinc/59/14/87/1320591487.db2.gz PERAOEWLTIKZOT-JQWIXIFHSA-N 0 2 340.361 2.820 10 0 EFAELN CC[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)C(C)=C1CCCC1 ZINC001285064500 1320673224 /nfs/dbraw/zinc/67/32/24/1320673224.db2.gz ZSTVXWNCDNRWSS-NWDGAFQWSA-N 0 2 338.345 2.788 10 0 EFAELN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)C(C)=C1CCCC1 ZINC001285064500 1320673227 /nfs/dbraw/zinc/67/32/27/1320673227.db2.gz ZSTVXWNCDNRWSS-NWDGAFQWSA-N 0 2 338.345 2.788 10 0 EFAELN CC1(C(=O)NC/C=C\CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001285562803 1320975482 /nfs/dbraw/zinc/97/54/82/1320975482.db2.gz JFUXYDROBLKHAH-ISALQUGTSA-N 0 2 338.345 2.646 10 0 EFAELN CC1(C(=O)NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F)CCCCC1 ZINC001285562803 1320975484 /nfs/dbraw/zinc/97/54/84/1320975484.db2.gz JFUXYDROBLKHAH-ISALQUGTSA-N 0 2 338.345 2.646 10 0 EFAELN CCC(=CC(=O)NC[C@H](C)N(C)C(=O)C(F)C(F)(F)F)CC ZINC001285646798 1321021724 /nfs/dbraw/zinc/02/17/24/1321021724.db2.gz OFQUHAQLHVOEJO-JOYOIKCWSA-N 0 2 326.334 2.596 10 0 EFAELN CCC(=CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F)CC ZINC001285646798 1321021727 /nfs/dbraw/zinc/02/17/27/1321021727.db2.gz OFQUHAQLHVOEJO-JOYOIKCWSA-N 0 2 326.334 2.596 10 0 EFAELN CCCCCCC(=O)N1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001286094171 1321233029 /nfs/dbraw/zinc/23/30/29/1321233029.db2.gz MMJYGNXVSITINQ-OCCSQVGLSA-N 0 2 340.361 2.964 10 0 EFAELN CCCCCCC(=O)N1CC[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286094171 1321233036 /nfs/dbraw/zinc/23/30/36/1321233036.db2.gz MMJYGNXVSITINQ-OCCSQVGLSA-N 0 2 340.361 2.964 10 0 EFAELN CC(C)=CC(=O)NC[C@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC001286138756 1321259971 /nfs/dbraw/zinc/25/99/71/1321259971.db2.gz ZSWQZHVNSPPKJY-DGCLKSJQSA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)NC[C@H]1CCCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001286138756 1321259972 /nfs/dbraw/zinc/25/99/72/1321259972.db2.gz ZSWQZHVNSPPKJY-DGCLKSJQSA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)NC[C@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC001286138758 1321259973 /nfs/dbraw/zinc/25/99/73/1321259973.db2.gz ZSWQZHVNSPPKJY-YPMHNXCESA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)NC[C@H]1CCCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001286138758 1321259974 /nfs/dbraw/zinc/25/99/74/1321259974.db2.gz ZSWQZHVNSPPKJY-YPMHNXCESA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)NC[C@@H]1CCCCCN1C(=O)C(F)C(F)(F)F ZINC001286138757 1321260185 /nfs/dbraw/zinc/26/01/85/1321260185.db2.gz ZSWQZHVNSPPKJY-WCQYABFASA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)NC[C@@H]1CCCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001286138757 1321260190 /nfs/dbraw/zinc/26/01/90/1321260190.db2.gz ZSWQZHVNSPPKJY-WCQYABFASA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)N1CCCCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001286150172 1321268978 /nfs/dbraw/zinc/26/89/78/1321268978.db2.gz XCPQZRJXYOAOKZ-DGCLKSJQSA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)=CC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001286150172 1321268982 /nfs/dbraw/zinc/26/89/82/1321268982.db2.gz XCPQZRJXYOAOKZ-DGCLKSJQSA-N 0 2 338.345 2.740 10 0 EFAELN CC(C)CCC(=O)N[C@@H](C)CCCNC(=O)C(F)C(F)(F)F ZINC001286557732 1321377726 /nfs/dbraw/zinc/37/77/26/1321377726.db2.gz HVRRBDMVDHRXHL-JQWIXIFHSA-N 0 2 328.350 2.724 10 0 EFAELN CC(C)CCC(=O)N[C@@H](C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001286557732 1321377731 /nfs/dbraw/zinc/37/77/31/1321377731.db2.gz HVRRBDMVDHRXHL-JQWIXIFHSA-N 0 2 328.350 2.724 10 0 EFAELN C/C(=C/C(=O)NCCC[C@H](C)NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001287219255 1321420096 /nfs/dbraw/zinc/42/00/96/1321420096.db2.gz CQVUPXNABJQISJ-ZNYBCTCQSA-N 0 2 338.345 2.644 10 0 EFAELN C/C(=C/C(=O)NCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001287219255 1321420098 /nfs/dbraw/zinc/42/00/98/1321420098.db2.gz CQVUPXNABJQISJ-ZNYBCTCQSA-N 0 2 338.345 2.644 10 0 EFAELN CC/C=C(\C)C(=O)NCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(C)C ZINC001287443818 1321469082 /nfs/dbraw/zinc/46/90/82/1321469082.db2.gz TVSYKRHTEGCXNE-IUEHSCGASA-N 0 2 340.361 2.890 10 0 EFAELN CC/C=C(\C)C(=O)NCC[C@@H](NC(=O)C(F)C(F)(F)F)C(C)C ZINC001287443818 1321469078 /nfs/dbraw/zinc/46/90/78/1321469078.db2.gz TVSYKRHTEGCXNE-IUEHSCGASA-N 0 2 340.361 2.890 10 0 EFAELN O=C(C[C@@H]1C=CCC1)NCC1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001288368258 1321651767 /nfs/dbraw/zinc/65/17/67/1321651767.db2.gz RYCODQDQURQPRU-RISCZKNCSA-N 0 2 348.340 2.518 10 0 EFAELN O=C(C[C@@H]1C=CCC1)NCC1=CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001288368258 1321651772 /nfs/dbraw/zinc/65/17/72/1321651772.db2.gz RYCODQDQURQPRU-RISCZKNCSA-N 0 2 348.340 2.518 10 0 EFAELN CCC[C@H](C)C(=O)NCC1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001288382386 1321656034 /nfs/dbraw/zinc/65/60/34/1321656034.db2.gz RUDFQDAWCNKDLP-CMPLNLGQSA-N 0 2 338.345 2.598 10 0 EFAELN CCC[C@H](C)C(=O)NCC1=CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001288382386 1321656045 /nfs/dbraw/zinc/65/60/45/1321656045.db2.gz RUDFQDAWCNKDLP-CMPLNLGQSA-N 0 2 338.345 2.598 10 0 EFAELN C/C=C(\C)C(=O)N1CCCC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001288666899 1321730467 /nfs/dbraw/zinc/73/04/67/1321730467.db2.gz QQABZIVOWXMDQV-LGSVWZNTSA-N 0 2 338.345 2.693 10 0 EFAELN C/C=C(\C)C(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001288666899 1321730471 /nfs/dbraw/zinc/73/04/71/1321730471.db2.gz QQABZIVOWXMDQV-LGSVWZNTSA-N 0 2 338.345 2.693 10 0 EFAELN C[C@H](CCCCNC(=O)C1CC=CC1)NC(=O)C(F)C(F)(F)F ZINC001288837663 1321774061 /nfs/dbraw/zinc/77/40/61/1321774061.db2.gz KWUZWCSLHUATKM-ZYHUDNBSSA-N 0 2 338.345 2.644 10 0 EFAELN C[C@H](CCCCNC(=O)C1CC=CC1)NC(=O)[C@@H](F)C(F)(F)F ZINC001288837663 1321774067 /nfs/dbraw/zinc/77/40/67/1321774067.db2.gz KWUZWCSLHUATKM-ZYHUDNBSSA-N 0 2 338.345 2.644 10 0 EFAELN CCCCCCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293577002 1322290017 /nfs/dbraw/zinc/29/00/17/1322290017.db2.gz SRVZMSALHWWRFU-PWSUYJOCSA-N 0 2 326.334 2.574 10 0 EFAELN CCCCCCC(=O)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001293577002 1322290023 /nfs/dbraw/zinc/29/00/23/1322290023.db2.gz SRVZMSALHWWRFU-PWSUYJOCSA-N 0 2 326.334 2.574 10 0 EFAELN CCCCCCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293577003 1322290309 /nfs/dbraw/zinc/29/03/09/1322290309.db2.gz SRVZMSALHWWRFU-ZYHUDNBSSA-N 0 2 326.334 2.574 10 0 EFAELN CCCCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001293577003 1322290318 /nfs/dbraw/zinc/29/03/18/1322290318.db2.gz SRVZMSALHWWRFU-ZYHUDNBSSA-N 0 2 326.334 2.574 10 0 EFAELN C[C@@H](CC(C)(C)C)C(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001294126762 1322413436 /nfs/dbraw/zinc/41/34/36/1322413436.db2.gz GTRDZAHDJHAVSO-WDEREUQCSA-N 0 2 342.377 2.924 10 0 EFAELN C[C@@H](CC(C)(C)C)C(=O)N(C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001294126762 1322413442 /nfs/dbraw/zinc/41/34/42/1322413442.db2.gz GTRDZAHDJHAVSO-WDEREUQCSA-N 0 2 342.377 2.924 10 0 EFAELN CC[C@@H](CC(C)C)C(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001294127212 1322413563 /nfs/dbraw/zinc/41/35/63/1322413563.db2.gz NTXMAUDTNBSHAY-NWDGAFQWSA-N 0 2 342.377 2.924 10 0 EFAELN CC[C@@H](CC(C)C)C(=O)N(C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001294127212 1322413565 /nfs/dbraw/zinc/41/35/65/1322413565.db2.gz NTXMAUDTNBSHAY-NWDGAFQWSA-N 0 2 342.377 2.924 10 0 EFAELN CCC(CC)[C@H](C)C(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001294127233 1322413675 /nfs/dbraw/zinc/41/36/75/1322413675.db2.gz OJOJFBGHSHWFSX-CMPLNLGQSA-N 0 2 342.377 2.924 10 0 EFAELN CCC(CC)[C@H](C)C(=O)N(C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001294127233 1322413676 /nfs/dbraw/zinc/41/36/76/1322413676.db2.gz OJOJFBGHSHWFSX-CMPLNLGQSA-N 0 2 342.377 2.924 10 0 EFAELN 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