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471688454 /nfs/dbraw/zinc/68/84/54/471688454.db2.gz BVVKFNSWNNWJNX-LBPRGKRZSA-N -1 0 336.388 2.883 40 0 EFABRM O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2-c1ccccc1 ZINC000008570093 471694040 /nfs/dbraw/zinc/69/40/40/471694040.db2.gz QJRQIBBYZWXPAA-CQSZACIVSA-N -1 0 348.362 2.642 40 0 EFABRM O=c1nc(CSc2ncn(-c3ccccc3)n2)[n-]c2ccsc21 ZINC000012889629 471803126 /nfs/dbraw/zinc/80/31/26/471803126.db2.gz MMMHKISKHMXCFO-UHFFFAOYSA-N -1 0 341.421 2.858 40 0 EFABRM Cc1csc(CC[NH2+][C@@H](c2ccc(C)s2)P(=O)([O-])[O-])n1 ZINC000013004733 471812959 /nfs/dbraw/zinc/81/29/59/471812959.db2.gz SFLVWTHODPYJDY-GFCCVEGCSA-N -1 0 332.387 2.830 40 0 EFABRM O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1Cl ZINC000013073765 471815618 /nfs/dbraw/zinc/81/56/18/471815618.db2.gz FGNSHRYIZKHSQK-UHFFFAOYSA-N -1 0 339.800 2.559 40 0 EFABRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000013362337 471827436 /nfs/dbraw/zinc/82/74/36/471827436.db2.gz KESIKBGKXYHQPG-UHFFFAOYSA-N -1 0 329.736 2.978 40 0 EFABRM 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CC[C@H](C(=O)[O-])n1nc(C)c(I)c1C(F)F ZINC000408716041 476972510 /nfs/dbraw/zinc/97/25/10/476972510.db2.gz IGHNDMVTYNFFOI-RXMQYKEDSA-N -1 0 344.099 2.769 40 0 EFABRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1C(C)(C)C ZINC000409125466 476978088 /nfs/dbraw/zinc/97/80/88/476978088.db2.gz FPRCLTFEVSIEMR-KPKJPENVSA-N -1 0 336.413 2.981 40 0 EFABRM CN(Cc1ccc2c(c1)OCCO2)[C@H](C(=O)[O-])c1ccccc1F ZINC000570638037 478404575 /nfs/dbraw/zinc/40/45/75/478404575.db2.gz IUXPLJBJMSZQEB-KRWDZBQOSA-N -1 0 331.343 2.855 40 0 EFABRM C[C@H]1CCCN(S(=O)(=O)c2cccnc2C(=O)[O-])c2ccccc21 ZINC000583259840 478806297 /nfs/dbraw/zinc/80/62/97/478806297.db2.gz DZCBLBGFTQZYHI-LBPRGKRZSA-N -1 0 346.408 2.872 40 0 EFABRM CO[C@H](CS(=O)(=O)Nc1ccc(C)c(Cl)c1)C1CCOCC1 ZINC000585140923 479299264 /nfs/dbraw/zinc/29/92/64/479299264.db2.gz LKJINYPSTCYQGN-OAHLLOKOSA-N -1 0 347.864 2.832 40 0 EFABRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1 ZINC000630422327 480704608 /nfs/dbraw/zinc/70/46/08/480704608.db2.gz 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O=C([O-])[C@@H]1CCCCN1C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000136509248 534517371 /nfs/dbraw/zinc/51/73/71/534517371.db2.gz KYAHXECKWKKXBB-HNNXBMFYSA-N -1 0 344.436 2.742 40 0 EFABRM COc1ccc(CNC(=O)c2cccc3c2CCC3)cc1C(=O)[O-] ZINC000194373322 524067408 /nfs/dbraw/zinc/06/74/08/524067408.db2.gz IRLKZIZVMOMLCL-UHFFFAOYSA-N -1 0 325.364 2.812 40 0 EFABRM COc1ccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)cc1 ZINC000174028036 525088664 /nfs/dbraw/zinc/08/86/64/525088664.db2.gz GGHOTIQUKOLUEP-UHFFFAOYSA-N -1 0 335.360 2.522 40 0 EFABRM C[C@]1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CCCOC1 ZINC000263130966 525189293 /nfs/dbraw/zinc/18/92/93/525189293.db2.gz WADRLSKGNRLWNJ-FQEVSTJZSA-N -1 0 345.439 2.983 40 0 EFABRM Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000262968727 525708239 /nfs/dbraw/zinc/70/82/39/525708239.db2.gz ACSNXDAJPMGEBJ-GFCCVEGCSA-N -1 0 342.355 2.516 40 0 EFABRM Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])ccc1-n1cccn1 ZINC000263123667 526262103 /nfs/dbraw/zinc/26/21/03/526262103.db2.gz 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CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccncc1 ZINC000071980513 278302427 /nfs/dbraw/zinc/30/24/27/278302427.db2.gz XSXQHMIEKNBHJY-XAUUPUKJSA-N -1 0 346.427 2.940 40 0 EFABRM CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)CCc1ccccc1 ZINC000071979862 281778257 /nfs/dbraw/zinc/77/82/57/281778257.db2.gz LNNWHIXTIZCBSN-NLGTXKQRSA-N -1 0 331.412 2.838 40 0 EFABRM COc1ccc(-c2n[n-]c3nc4sc(C)c(C)c4c(=O)n32)cc1 ZINC000100748817 295048766 /nfs/dbraw/zinc/04/87/66/295048766.db2.gz XUXJQXSBPHUZQL-UHFFFAOYSA-N -1 0 326.381 2.925 40 0 EFABRM COc1ccc2c(c1)CCCCN2C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262804760 295257868 /nfs/dbraw/zinc/25/78/68/295257868.db2.gz OOIWDLFEDAHLCH-UHFFFAOYSA-N -1 0 326.352 2.772 40 0 EFABRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccnc(C(=O)[O-])c1)[C@H]2C ZINC000262701181 295261484 /nfs/dbraw/zinc/26/14/84/295261484.db2.gz ASAKAMHNBQVRQL-NEPJUHHUSA-N -1 0 340.379 2.936 40 0 EFABRM C[C@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000262710778 300831040 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Cc1c2cc(S(=O)(=O)N[C@@H]3CC=CCC3)ccc2oc1C(=O)[O-] ZINC000566175580 319043678 /nfs/dbraw/zinc/04/36/78/319043678.db2.gz CLFVSMRJFDZFSC-LLVKDONJSA-N -1 0 335.381 2.826 40 0 EFABRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)no1 ZINC000097231234 323213740 /nfs/dbraw/zinc/21/37/40/323213740.db2.gz ASSFXCJIVMSXDF-NSHDSACASA-N -1 0 326.711 2.721 40 0 EFABRM C[C@@H]1CC[C@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)C[C@@H]1C ZINC000097100884 323213856 /nfs/dbraw/zinc/21/38/56/323213856.db2.gz AJBRSCYKSZSTNA-WOPDTQHZSA-N -1 0 348.472 2.951 40 0 EFABRM Cc1nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc(C2CC2)n1 ZINC000127497329 323217518 /nfs/dbraw/zinc/21/75/18/323217518.db2.gz GGGOXHYFAVKXBE-UHFFFAOYSA-N -1 0 325.340 2.741 40 0 EFABRM C[C@@H]1CCC[C@H](C)CN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000581820852 324460038 /nfs/dbraw/zinc/46/00/38/324460038.db2.gz ZBUXYGYDICKRGH-QWHCGFSZSA-N -1 0 325.430 2.513 40 0 EFABRM C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C(=O)[O-])c2ccccc21 ZINC000583259836 324773956 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COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc(OC)c1 ZINC000003360465 471443813 /nfs/dbraw/zinc/44/38/13/471443813.db2.gz NZHMUGDEEHTZSP-UHFFFAOYSA-N -1 0 329.324 2.783 40 0 EFABRM O=C([O-])[C@H]1CCC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H](O)[C@H]21 ZINC000004100412 471459805 /nfs/dbraw/zinc/45/98/05/471459805.db2.gz FAJGWXJPBTUEOP-LDHBYLBISA-N -1 0 340.423 2.559 40 0 EFABRM O=C([O-])c1ccccc1NC1=Nc2nc3ccccc3c(=O)n2CC1 ZINC000005338573 471499837 /nfs/dbraw/zinc/49/98/37/471499837.db2.gz NOTIJWNZKUPHPT-UHFFFAOYSA-N -1 0 334.335 2.641 40 0 EFABRM CC(C)C[C@H](NC(=O)COc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000005716284 471517344 /nfs/dbraw/zinc/51/73/44/471517344.db2.gz WBRGURJQCBXFRA-JTQLQIEISA-N -1 0 334.199 2.988 40 0 EFABRM CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000005872925 471523998 /nfs/dbraw/zinc/52/39/98/471523998.db2.gz WCRDUTQEGQCUMO-UHFFFAOYSA-N -1 0 344.392 2.910 40 0 EFABRM Cc1cccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000005898073 471525671 /nfs/dbraw/zinc/52/56/71/471525671.db2.gz KSGCPTOGULKPOS-UHFFFAOYSA-N -1 0 344.392 2.585 40 0 EFABRM CCc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)cc1 ZINC000006168776 471533703 /nfs/dbraw/zinc/53/37/03/471533703.db2.gz CDWHFUQBPZGFLT-GXDHUFHOSA-N -1 0 326.377 2.673 40 0 EFABRM COc1ccc(C)cc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000006214376 471535748 /nfs/dbraw/zinc/53/57/48/471535748.db2.gz OEUQICBNCLDQJV-UHFFFAOYSA-N -1 0 334.397 2.822 40 0 EFABRM Cc1n[nH]c(SC(=Cc2ccc(Br)o2)C(=O)[O-])n1 ZINC000006588273 471552817 /nfs/dbraw/zinc/55/28/17/471552817.db2.gz AFIFDPPKLUKGRZ-DAXSKMNVSA-N -1 0 330.163 2.686 40 0 EFABRM COc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1OC ZINC000006698799 471559882 /nfs/dbraw/zinc/55/98/82/471559882.db2.gz FETVUYLKJWBUHT-UBMAESPOSA-N -1 0 347.411 2.628 40 0 EFABRM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cs1 ZINC000006681620 471560207 /nfs/dbraw/zinc/56/02/07/471560207.db2.gz OLFYMUXSIPCYFU-UHFFFAOYSA-N -1 0 338.454 2.915 40 0 EFABRM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)cs1 ZINC000006681644 471560244 /nfs/dbraw/zinc/56/02/44/471560244.db2.gz VPWHUMCOGHTYJU-UHFFFAOYSA-N -1 0 338.454 2.915 40 0 EFABRM COc1ccc2nc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])sc2c1 ZINC000006742467 471564678 /nfs/dbraw/zinc/56/46/78/471564678.db2.gz PZMGEQRKYWHISX-GHSKTYPESA-N -1 0 346.408 2.990 40 0 EFABRM O=C([O-])[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000007881368 471644109 /nfs/dbraw/zinc/64/41/09/471644109.db2.gz IPIUQYSWYORZTD-ZDUSSCGKSA-N -1 0 326.308 2.699 40 0 EFABRM Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)c1 ZINC000007882442 471644845 /nfs/dbraw/zinc/64/48/45/471644845.db2.gz ZRJVTIILWUBWTA-AWEZNQCLSA-N -1 0 338.363 2.685 40 0 EFABRM COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCC(=O)[O-] ZINC000008113269 471663512 /nfs/dbraw/zinc/66/35/12/471663512.db2.gz UWCPQTHGIOGXOF-OQLLNIDSSA-N -1 0 337.331 2.948 40 0 EFABRM Cc1n[nH]c(SC(=Cc2cc3c(cc2Cl)OCO3)C(=O)[O-])n1 ZINC000008272241 471676449 /nfs/dbraw/zinc/67/64/49/471676449.db2.gz 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ZINC000012949539 471808650 /nfs/dbraw/zinc/80/86/50/471808650.db2.gz SZASGUDOLASNDQ-OAHLLOKOSA-N -1 0 325.276 2.800 40 0 EFABRM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000013040245 471813953 /nfs/dbraw/zinc/81/39/53/471813953.db2.gz WBSLDKPTXXJAKX-UHFFFAOYSA-N -1 0 338.454 2.935 40 0 EFABRM CN(Cc1ccccc1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013087139 471815052 /nfs/dbraw/zinc/81/50/52/471815052.db2.gz KGAGOODBRGFILW-UHFFFAOYSA-N -1 0 333.409 2.525 40 0 EFABRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000013073763 471815689 /nfs/dbraw/zinc/81/56/89/471815689.db2.gz YQHJVQHKWGKXAU-UHFFFAOYSA-N -1 0 339.800 2.559 40 0 EFABRM Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(F)c1 ZINC000013078609 471815835 /nfs/dbraw/zinc/81/58/35/471815835.db2.gz UUCDNOWQLYIZIL-UHFFFAOYSA-N -1 0 337.372 2.952 40 0 EFABRM COc1cc(OC)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013224102 471820893 /nfs/dbraw/zinc/82/08/93/471820893.db2.gz KVNHJCNSGNOLGE-INIZCTEOSA-N -1 0 329.352 2.650 40 0 EFABRM CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000013362416 471827456 /nfs/dbraw/zinc/82/74/56/471827456.db2.gz VCBSOYNMMHJWMI-UHFFFAOYSA-N -1 0 337.328 2.527 40 0 EFABRM O=C([O-])Cc1csc(NC(=O)CSCc2cccs2)n1 ZINC000013406600 471828429 /nfs/dbraw/zinc/82/84/29/471828429.db2.gz RUHBTHWLGGMDFA-UHFFFAOYSA-N -1 0 328.440 2.704 40 0 EFABRM CCOc1ccccc1NC(=O)c1snc2c1[n-]c(C)nc2=O ZINC000013564078 471832448 /nfs/dbraw/zinc/83/24/48/471832448.db2.gz UYHPOVAPQFIMDC-UHFFFAOYSA-N -1 0 330.369 2.751 40 0 EFABRM O=S(=O)([N-]c1cnn(Cc2ccccc2F)c1)c1ccccc1 ZINC000014229497 471864815 /nfs/dbraw/zinc/86/48/15/471864815.db2.gz NHYPHFNINWQZEK-UHFFFAOYSA-N -1 0 331.372 2.871 40 0 EFABRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000017071988 471956269 /nfs/dbraw/zinc/95/62/69/471956269.db2.gz WCVNMKXBALFYLT-QXSJWSMHSA-N -1 0 345.395 2.585 40 0 EFABRM CC/C=C\C[C@H](O)/C=C/[C@H](O)[C@H](O)CCCCCCCC(=O)[O-] ZINC000035459182 471996109 /nfs/dbraw/zinc/99/61/09/471996109.db2.gz 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ZINC000128890300 472508405 /nfs/dbraw/zinc/50/84/05/472508405.db2.gz KXQCAFIUDVIHMW-UHFFFAOYSA-N -1 0 327.203 2.953 40 0 EFABRM C[C@@](Cc1ccc(O)cc1)(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000118816440 472509907 /nfs/dbraw/zinc/50/99/07/472509907.db2.gz PKGJZJPKNMOLOE-SFHVURJKSA-N -1 0 329.352 2.704 40 0 EFABRM CC1(C)Oc2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2NC1=O ZINC000046089195 472511448 /nfs/dbraw/zinc/51/14/48/472511448.db2.gz KGAYUKWZQVVGNV-UHFFFAOYSA-N -1 0 340.335 2.747 40 0 EFABRM CC1(C)Oc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2NC1=O ZINC000046089269 472511490 /nfs/dbraw/zinc/51/14/90/472511490.db2.gz JLDVGKIHINZDIC-NEPJUHHUSA-N -1 0 346.383 2.626 40 0 EFABRM [O-]c1c(Br)cc(Cl)nc1I ZINC000071256070 472546052 /nfs/dbraw/zinc/54/60/52/472546052.db2.gz OGGXYLWVBRQVAA-UHFFFAOYSA-N -1 0 334.338 2.808 40 0 EFABRM O=c1c2c(nc3c(-c4cccc(Br)c4)c[n-]n31)CCC2 ZINC000071475311 472552678 /nfs/dbraw/zinc/55/26/78/472552678.db2.gz VRDYIWGLZJSTCR-UHFFFAOYSA-N -1 0 330.185 2.941 40 0 EFABRM 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ZINC000096452978 473429167 /nfs/dbraw/zinc/42/91/67/473429167.db2.gz KCYMVYXAWZXUST-UHFFFAOYSA-N -1 0 333.417 2.758 40 0 EFABRM Cc1nnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000096459904 473432475 /nfs/dbraw/zinc/43/24/75/473432475.db2.gz JFEZYYMBXLAUPB-UHFFFAOYSA-N -1 0 337.348 2.975 40 0 EFABRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000096480409 473441015 /nfs/dbraw/zinc/44/10/15/473441015.db2.gz VRYFDBBHMAUXBN-PMDBQALLSA-N -1 0 341.411 2.952 40 0 EFABRM O=S(=O)([N-]c1ncccc1F)c1sccc1Br ZINC000096496300 473451681 /nfs/dbraw/zinc/45/16/81/473451681.db2.gz ZSIAVTGNEXLUHW-UHFFFAOYSA-N -1 0 337.195 2.846 40 0 EFABRM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000096502928 473455361 /nfs/dbraw/zinc/45/53/61/473455361.db2.gz JTHNUTOYYBOZIL-NXEZZACHSA-N -1 0 325.352 2.935 40 0 EFABRM CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cn1 ZINC000191126370 473485205 /nfs/dbraw/zinc/48/52/05/473485205.db2.gz KXVXLRXYVYGSIN-ZDUSSCGKSA-N -1 0 339.754 2.641 40 0 EFABRM O=C([O-])c1ccc(CCC(=O)N2CC[C@H](C3CCOCC3)C2)cc1 ZINC000263559913 473775839 /nfs/dbraw/zinc/77/58/39/473775839.db2.gz BGEDAAQUPJXFDL-KRWDZBQOSA-N -1 0 331.412 2.593 40 0 EFABRM Cc1occc1S([O-])=CC(=O)NCCOc1ccc(Cl)cc1 ZINC000194639350 473930133 /nfs/dbraw/zinc/93/01/33/473930133.db2.gz AYZBKMUCBXNJPZ-QFIPXVFZSA-N -1 0 341.816 2.544 40 0 EFABRM CN(CCc1cccc2ccccc21)S(=O)(=O)[N-]CC(F)(F)F ZINC000195202221 474029684 /nfs/dbraw/zinc/02/96/84/474029684.db2.gz NIMDJCNVLGGERV-UHFFFAOYSA-N -1 0 346.374 2.711 40 0 EFABRM Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])o3)cc2)n1 ZINC000195542158 474091608 /nfs/dbraw/zinc/09/16/08/474091608.db2.gz PCLLOYNIWKTQMC-UHFFFAOYSA-N -1 0 339.351 2.710 40 0 EFABRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000195541648 474092221 /nfs/dbraw/zinc/09/22/21/474092221.db2.gz FDENZOQNYLCKPL-CQSZACIVSA-N -1 0 325.368 2.717 40 0 EFABRM C[C@H](CN(C(=O)c1cc(Br)ccc1F)C1CC1)C(=O)[O-] ZINC000195551913 474094810 /nfs/dbraw/zinc/09/48/10/474094810.db2.gz 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COc1ccccc1Nc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(C)n1 ZINC000217365353 241247167 /nfs/dbraw/zinc/24/71/67/241247167.db2.gz MLJMJHZPZNLHBQ-CYBMUJFWSA-N -1 0 342.399 2.838 40 0 EFABRM CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(C)C ZINC000217425425 241248876 /nfs/dbraw/zinc/24/88/76/241248876.db2.gz ARIJUOYUARFPNJ-UHFFFAOYSA-N -1 0 342.461 2.921 40 0 EFABRM CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)[O-] ZINC000217548213 241257995 /nfs/dbraw/zinc/25/79/95/241257995.db2.gz VQBUJLBAZDWDLG-LLVKDONJSA-N -1 0 328.434 2.672 40 0 EFABRM O=C([O-])[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218392448 241319473 /nfs/dbraw/zinc/31/94/73/241319473.db2.gz UBIXSBHYCCJFNP-KKUMJFAQSA-N -1 0 336.796 2.981 40 0 EFABRM Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1cccs1 ZINC000225131624 241801318 /nfs/dbraw/zinc/80/13/18/241801318.db2.gz HMSDIOSGJNYKMM-UHFFFAOYSA-N -1 0 345.829 2.990 40 0 EFABRM CN(c1ccc(Cl)c(C(=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000225146247 241803599 /nfs/dbraw/zinc/80/35/99/241803599.db2.gz 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ZINC000257290998 244434641 /nfs/dbraw/zinc/43/46/41/244434641.db2.gz QFDXWPIRRGTTEV-OAHLLOKOSA-N -1 0 338.415 2.864 40 0 EFABRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000074932462 203297372 /nfs/dbraw/zinc/29/73/72/203297372.db2.gz MLTJCGFNRMDCQS-UHFFFAOYSA-N -1 0 349.408 2.981 40 0 EFABRM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H]2C=C[C@@H]1O2 ZINC000006329542 304155174 /nfs/dbraw/zinc/15/51/74/304155174.db2.gz RZUNVMBBQCVVNN-RHYQMDGZSA-N -1 0 328.151 2.586 40 0 EFABRM O=C([O-])Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000262523872 245017512 /nfs/dbraw/zinc/01/75/12/245017512.db2.gz NAZHDWGOSRHWRO-UHFFFAOYSA-N -1 0 340.379 2.936 40 0 EFABRM CCc1ccc(-c2nc(N3CCOCC3)sc2CC(=O)[O-])cc1 ZINC000095097100 203713232 /nfs/dbraw/zinc/71/32/32/203713232.db2.gz PUVONRUYADXTGR-UHFFFAOYSA-N -1 0 332.425 2.836 40 0 EFABRM O=C([O-])[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@@H]1O ZINC000009214629 304159822 /nfs/dbraw/zinc/15/98/22/304159822.db2.gz AADVZSXPNRLYLV-IERSGTSRSA-N 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COc1ccccc1CN(C(=O)c1ccc(C(=O)[O-])c(C)n1)C1CC1 ZINC000263229614 245366116 /nfs/dbraw/zinc/36/61/16/245366116.db2.gz CRILRCJKNYBTQD-UHFFFAOYSA-N -1 0 340.379 2.902 40 0 EFABRM Cc1nc(Cn2cnc(-c3nc(C(=O)[O-])c4ccccn43)c2)cs1 ZINC000106848746 204215141 /nfs/dbraw/zinc/21/51/41/204215141.db2.gz JZTWVGKFQMGLFU-UHFFFAOYSA-N -1 0 339.380 2.709 40 0 EFABRM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000107362629 204233050 /nfs/dbraw/zinc/23/30/50/204233050.db2.gz WIWGBODAIIIDDQ-UHFFFAOYSA-N -1 0 335.381 2.591 40 0 EFABRM CCCC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000016756517 211933258 /nfs/dbraw/zinc/93/32/58/211933258.db2.gz AYWWEJFOCZLMAY-JTQLQIEISA-N -1 0 340.228 2.915 40 0 EFABRM O=C([O-])c1cccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000263572199 245452360 /nfs/dbraw/zinc/45/23/60/245452360.db2.gz KPNCHLNFAQXQJF-QGZVFWFLSA-N -1 0 347.411 2.575 40 0 EFABRM CCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(OC)c1 ZINC000226351376 205132609 /nfs/dbraw/zinc/13/26/09/205132609.db2.gz 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ZINC000012792013 207250438 /nfs/dbraw/zinc/25/04/38/207250438.db2.gz MWMOGWMTQBZIFQ-RMKNXTFCSA-N -1 0 339.319 2.863 40 0 EFABRM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000013093534 207287326 /nfs/dbraw/zinc/28/73/26/207287326.db2.gz RMVTUMRNNKIVQS-JTQLQIEISA-N -1 0 335.356 2.664 40 0 EFABRM O=C([O-])c1ccc(CNC(=O)N2CCOC[C@H]2c2ccccc2)cc1 ZINC000262952709 304243047 /nfs/dbraw/zinc/24/30/47/304243047.db2.gz BAKPYVSDSLOMLI-KRWDZBQOSA-N -1 0 340.379 2.668 40 0 EFABRM Cc1nn(-c2ccccc2)c(C)c1[C@@H]([N-]S(C)(=O)=O)C(F)(F)F ZINC000096456136 218841356 /nfs/dbraw/zinc/84/13/56/218841356.db2.gz SLXMZCOYSAWNSX-CYBMUJFWSA-N -1 0 347.362 2.642 40 0 EFABRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccccc1Br ZINC000096480218 218856563 /nfs/dbraw/zinc/85/65/63/218856563.db2.gz ZWQYHARBDDBKRD-CQSZACIVSA-N -1 0 328.206 2.751 40 0 EFABRM Cc1c2c([n-]n(-c3ccccc3)c2=O)nnc1C(=O)Nc1ccccc1 ZINC000010325828 257861046 /nfs/dbraw/zinc/86/10/46/257861046.db2.gz BNUCJOLNBRMOLV-UHFFFAOYSA-N -1 0 345.362 2.670 40 0 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474732461 /nfs/dbraw/zinc/73/24/61/474732461.db2.gz LJVTWXXYMRHCMZ-MGPQQGTHSA-N -1 0 347.415 2.566 40 0 EFABRM Cc1cc([O-])c(C2=NCCSC(c3ccc(O)cc3)=C2)c(=O)o1 ZINC000253398214 474736566 /nfs/dbraw/zinc/73/65/66/474736566.db2.gz BZVSHUMHVOMTKX-UHFFFAOYSA-N -1 0 329.377 2.936 40 0 biogenic EFABRM CC(=O)N1CCC[C@H]1c1nc(C)cc(-c2cc(F)ccc2C(=O)[O-])n1 ZINC000257281848 474930759 /nfs/dbraw/zinc/93/07/59/474930759.db2.gz ORFNSLLBPXIAAE-INIZCTEOSA-N -1 0 343.358 2.973 40 0 EFABRM CS(=O)(=O)N1CCC[C@H]1c1ccnc(-c2ccccc2C(=O)[O-])c1 ZINC000257292485 474937268 /nfs/dbraw/zinc/93/72/68/474937268.db2.gz QLRRANCSRUZRNQ-INIZCTEOSA-N -1 0 346.408 2.543 40 0 EFABRM Cc1cc(C)nc(N2CCC[C@H]2c2nccnc2[N-]c2ncccn2)n1 ZINC000257295940 474938169 /nfs/dbraw/zinc/93/81/69/474938169.db2.gz RANHIOAQSFOLBA-AWEZNQCLSA-N -1 0 348.414 2.759 40 0 EFABRM CC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2cncc(C(=O)[O-])c2)n1 ZINC000257343479 474965965 /nfs/dbraw/zinc/96/59/65/474965965.db2.gz ZTENYEZEMYTBCA-MRXNPFEDSA-N -1 0 340.383 2.619 40 0 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CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(O)cc(F)c2)c1C ZINC000585140629 479297544 /nfs/dbraw/zinc/29/75/44/479297544.db2.gz HUNBORWEFZHKRT-SECBINFHSA-N -1 0 327.381 2.808 40 0 EFABRM Cn1nc(C(=O)[O-])cc1C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000630229347 480620572 /nfs/dbraw/zinc/62/05/72/480620572.db2.gz WLGDEDJZHUPEBJ-UHFFFAOYSA-N -1 0 347.802 2.824 40 0 EFABRM CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)no1 ZINC000634910952 480626451 /nfs/dbraw/zinc/62/64/51/480626451.db2.gz NNKVSTDEHRCTRX-YNEHKIRRSA-N -1 0 349.431 2.994 40 0 EFABRM CC(=O)Nc1cccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1C ZINC000663119798 482078379 /nfs/dbraw/zinc/07/83/79/482078379.db2.gz OBJCUVPPYLZBIP-UHFFFAOYSA-N -1 0 332.400 2.861 40 0 EFABRM C[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C1CCC(F)CC1 ZINC000663428960 482230797 /nfs/dbraw/zinc/23/07/97/482230797.db2.gz XGHARIKUXQLVBW-NUYPLMSZSA-N -1 0 343.420 2.721 40 0 EFABRM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1c([O-])cccc1F ZINC000186861967 533936006 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339.391 2.911 40 0 EFABRM O=C([O-])c1coc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000183758594 235217794 /nfs/dbraw/zinc/21/77/94/235217794.db2.gz VCPIEBMDOKPQGU-UHFFFAOYSA-N -1 0 342.351 2.646 40 0 EFABRM COc1c(Cl)cc(C(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000037433231 213146853 /nfs/dbraw/zinc/14/68/53/213146853.db2.gz ZKBNTJHNIOWMSF-UHFFFAOYSA-N -1 0 332.183 2.939 40 0 EFABRM O=C([O-])CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000238155190 304067155 /nfs/dbraw/zinc/06/71/55/304067155.db2.gz AZOPHUUHCCBCTE-GFCCVEGCSA-N -1 0 331.199 2.871 40 0 EFABRM O=C([O-])CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000238155404 304067293 /nfs/dbraw/zinc/06/72/93/304067293.db2.gz DYRRFVMNCPEQEE-LBPRGKRZSA-N -1 0 331.199 2.871 40 0 EFABRM COc1ccc(/C=C/C(=O)Nc2c(O)cccc2C(=O)[O-])cc1OC ZINC000035941986 213053443 /nfs/dbraw/zinc/05/34/43/213053443.db2.gz HUBVPPBIEOCMIE-VQHVLOKHSA-N -1 0 343.335 2.760 40 0 in-vitro EFABRM CCOC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000035897818 213051971 /nfs/dbraw/zinc/05/19/71/213051971.db2.gz RKMLPYBQVRUMIO-DNIRFERGSA-N -1 0 349.408 2.776 40 0 EFABRM O=C([O-])C[C@@H](NC(=S)Nc1ncccn1)c1cccc(Cl)c1 ZINC000225217211 304074169 /nfs/dbraw/zinc/07/41/69/304074169.db2.gz PWRCMDZZZPAOAM-LLVKDONJSA-N -1 0 336.804 2.632 40 0 EFABRM CC/C=C\C[C@@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCCC(=O)[O-] ZINC000035454836 213028184 /nfs/dbraw/zinc/02/81/84/213028184.db2.gz MKYUCBXUUSZMQB-PBDMFBLSSA-N -1 0 328.449 2.797 40 0 biogenic,in-man EFABRM CCC(CC)C1=NO[C@H]2[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC000072191284 216068243 /nfs/dbraw/zinc/06/82/43/216068243.db2.gz XVJTUDPXKCBNKX-FMCLSXCISA-N -1 0 340.420 2.791 40 0 EFABRM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000072239178 216078441 /nfs/dbraw/zinc/07/84/41/216078441.db2.gz GOHQDBWXJNJCTR-UHFFFAOYSA-N -1 0 325.438 2.659 40 0 EFABRM Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n(C2CCCC2)n1 ZINC000072239144 216078748 /nfs/dbraw/zinc/07/87/48/216078748.db2.gz HSCWCNAXFLTZCL-UHFFFAOYSA-N -1 0 337.449 2.885 40 0 EFABRM O=C([O-])C[C@@H]1CC[C@H](C[C@H](O)/C=C\C/C=C\CCCCCO)O1 ZINC000031156778 212725000 /nfs/dbraw/zinc/72/50/00/212725000.db2.gz PVHYZOUHABSMRT-HMDAJGRFSA-N -1 0 326.433 2.815 40 0 biogenic,in-vitro EFABRM Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2)c1C ZINC000072238960 216077447 /nfs/dbraw/zinc/07/74/47/216077447.db2.gz RCWGYSHJCGAEGS-UHFFFAOYSA-N -1 0 328.397 2.685 40 0 EFABRM CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000072322148 216149717 /nfs/dbraw/zinc/14/97/17/216149717.db2.gz IDPXSZPQENBHTG-HNNXBMFYSA-N -1 0 343.427 2.979 40 0 biogenic,in-vitro EFABRM Cc1nc([N-]c2nncs2)cc([C@H]2CCCN2c2ncccn2)n1 ZINC000072360338 216165588 /nfs/dbraw/zinc/16/55/88/216165588.db2.gz GVJSOMYBRCAADY-GFCCVEGCSA-N -1 0 340.416 2.512 40 0 EFABRM Cc1nc([N-]c2nncs2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000072383724 216184691 /nfs/dbraw/zinc/18/46/91/216184691.db2.gz CKJUVQWXYVABNV-GFCCVEGCSA-N -1 0 346.460 2.742 40 0 EFABRM COC(=O)C1=C([O-])c2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 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