smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[n-]c(=O)c32)cc1 ZINC000040390437 523988211 /nfs/dbraw/zinc/98/82/11/523988211.db2.gz QLTSFQSGMBTDJL-DLBZAZTESA-N -1 3 423.517 3.166 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)c(C)c1 ZINC000040399623 525199430 /nfs/dbraw/zinc/19/94/30/525199430.db2.gz RPICDZQYLAQUGH-OAHLLOKOSA-N -1 3 421.432 3.334 40 0 HGABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399611 525257806 /nfs/dbraw/zinc/25/78/06/525257806.db2.gz QQYGSLAGMVUJJY-CQSZACIVSA-N -1 3 407.405 3.026 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCCC1=CCCCC1 ZINC000408604295 557525779 /nfs/dbraw/zinc/52/57/79/557525779.db2.gz HZLPEFBURUUZAW-CYBMUJFWSA-N -1 3 400.928 3.022 40 0 HGABHM O=C(CSc1nnc([N-]C(=O)c2ccc(F)cc2F)s1)NCc1ccccc1 ZINC000035316110 557691301 /nfs/dbraw/zinc/69/13/01/557691301.db2.gz WDWVSCNCSARMBE-UHFFFAOYSA-N -1 3 420.466 3.477 40 0 HGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 ZINC000019886492 558302177 /nfs/dbraw/zinc/30/21/77/558302177.db2.gz BSJMKYPQHHTPQR-UHFFFAOYSA-N -1 3 403.504 3.086 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000020016408 558320154 /nfs/dbraw/zinc/32/01/54/558320154.db2.gz DXIAYLAVUQSWEX-QMMMGPOBSA-N -1 3 422.812 3.071 40 0 HGABHM CCOC(=O)c1cccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c1C ZINC000020050425 558328548 /nfs/dbraw/zinc/32/85/48/558328548.db2.gz KGMPOIXSDSUEQT-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000020458895 558371618 /nfs/dbraw/zinc/37/16/18/558371618.db2.gz BPMABCYXPNFFLN-UHFFFAOYSA-N -1 3 407.879 3.091 40 0 HGABHM COCc1nc(N2CCN(c3ccccc3F)CC2)[n-]c(=O)c1CCc1ccccc1 ZINC000022448770 558489974 /nfs/dbraw/zinc/48/99/74/558489974.db2.gz LZWWBYFZWYGFCE-UHFFFAOYSA-N -1 3 422.504 3.167 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022539477 558498919 /nfs/dbraw/zinc/49/89/19/558498919.db2.gz ALYXJPASSOQLJG-NWDGAFQWSA-N -1 3 414.886 3.032 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)cc1C ZINC000013646181 558556740 /nfs/dbraw/zinc/55/67/40/558556740.db2.gz JESYWMBBAHTRDJ-UHFFFAOYSA-N -1 3 409.939 3.049 40 0 HGABHM CCOc1ccc(/N=c2\scc(-c3ccc([O-])c(C(N)=O)c3)n2CCOC)cc1 ZINC000014067145 558616858 /nfs/dbraw/zinc/61/68/58/558616858.db2.gz HKFDZSVKXKBUHI-LNVKXUELSA-N -1 3 413.499 3.299 40 0 HGABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)ccc1Cl ZINC000030753208 558736447 /nfs/dbraw/zinc/73/64/47/558736447.db2.gz BJCSMDQYQSNKNS-UHFFFAOYSA-N -1 3 417.270 3.404 40 0 HGABHM O=C([N-]c1nnc(CCOc2ccc(Cl)cc2)s1)c1cn2cccnc2n1 ZINC000036752168 558802725 /nfs/dbraw/zinc/80/27/25/558802725.db2.gz XDNUYEHHKIVQFY-UHFFFAOYSA-N -1 3 400.851 3.108 40 0 HGABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085246 558841111 /nfs/dbraw/zinc/84/11/11/558841111.db2.gz WNRKSZCWJUZXMJ-GOSISDBHSA-N -1 3 414.550 3.050 40 0 HGABHM CC(C)N1CCc2nc3cc([C@H]4CCCN4C(=O)C4CCCCC4)[n-]n3c(=O)c2C1 ZINC000019448111 558886739 /nfs/dbraw/zinc/88/67/39/558886739.db2.gz XWSYJDGUXKRLHF-HXUWFJFHSA-N -1 3 411.550 3.445 40 0 HGABHM COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c1 ZINC000019448345 558887408 /nfs/dbraw/zinc/88/74/08/558887408.db2.gz RJQRWQPPNFNZQI-OAQYLSRUSA-N -1 3 424.545 3.254 40 0 HGABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(C(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000019497584 558896435 /nfs/dbraw/zinc/89/64/35/558896435.db2.gz OMOBPWDJBRCLRH-OKILXGFUSA-N -1 3 422.451 3.373 40 0 HGABHM CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019499771 558897831 /nfs/dbraw/zinc/89/78/31/558897831.db2.gz YHSFSNKPAFHTEL-FUHWJXTLSA-N -1 3 424.545 3.111 40 0 HGABHM CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019501318 558899260 /nfs/dbraw/zinc/89/92/60/558899260.db2.gz BURUEWBWZCTNMV-OAHLLOKOSA-N -1 3 400.548 3.308 40 0 HGABHM CO[C@H]1CCC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)C1 ZINC000072341463 558939786 /nfs/dbraw/zinc/93/97/86/558939786.db2.gz WMHKQPFECQSXQT-RIFZZMRRSA-N -1 3 408.502 3.165 40 0 HGABHM O=C([N-]c1nccs1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 ZINC000006681401 560632369 /nfs/dbraw/zinc/63/23/69/560632369.db2.gz ZQHZACSWBGLWTH-UHFFFAOYSA-N -1 3 405.526 3.204 40 0 HGABHM O=C1N/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccccc1 ZINC000408962931 560658667 /nfs/dbraw/zinc/65/86/67/560658667.db2.gz LFKOMAXFNGMHGD-ZROIWOOFSA-N -1 3 420.206 3.090 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000007361479 560750568 /nfs/dbraw/zinc/75/05/68/560750568.db2.gz APDUMQBIDGDIIE-UHFFFAOYSA-N -1 3 404.488 3.131 40 0 HGABHM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1 ZINC000010314871 560767330 /nfs/dbraw/zinc/76/73/30/560767330.db2.gz KCUHWPREASPVCP-UHFFFAOYSA-N -1 3 403.504 3.101 40 0 HGABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000004167936 560893470 /nfs/dbraw/zinc/89/34/70/560893470.db2.gz CSAGVHLTZREPBO-VSKRKVRLSA-N -1 3 416.433 3.452 40 0 HGABHM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000223317878 568544967 /nfs/dbraw/zinc/54/49/67/568544967.db2.gz UATPKCDHQKUAMD-UHFFFAOYSA-N -1 3 401.213 3.132 40 0 HGABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3Cl)cc2oc1=O ZINC000223360379 568546487 /nfs/dbraw/zinc/54/64/87/568546487.db2.gz PDJVPJUGWSANBH-UHFFFAOYSA-N -1 3 401.271 3.400 40 0 HGABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000223628584 568554002 /nfs/dbraw/zinc/55/40/02/568554002.db2.gz LMYZZTQACKAZQR-UHFFFAOYSA-N -1 3 407.879 3.408 40 0 HGABHM O=S(=O)(Cc1cccc(Br)c1)[N-]Cc1nc(-c2cccs2)no1 ZINC000223656272 568555128 /nfs/dbraw/zinc/55/51/28/568555128.db2.gz DNLBANVHXNAUFB-UHFFFAOYSA-N -1 3 414.306 3.180 40 0 HGABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000223831489 568560226 /nfs/dbraw/zinc/56/02/26/568560226.db2.gz IWCWOGYRLCXQBJ-UHFFFAOYSA-N -1 3 418.254 3.367 40 0 HGABHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000224391191 568580004 /nfs/dbraw/zinc/58/00/04/568580004.db2.gz QYCZRIOTBVCKSQ-ZDUSSCGKSA-N -1 3 416.528 3.392 40 0 HGABHM Cc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000225443543 568638483 /nfs/dbraw/zinc/63/84/83/568638483.db2.gz ZVBCWNVPVHCDTL-UHFFFAOYSA-N -1 3 422.919 3.231 40 0 HGABHM C[C@H]1Cc2cc(C(=O)N3CCC(c4cncc([N-]c5ncccn5)n4)CC3)ccc2O1 ZINC000257205049 568777496 /nfs/dbraw/zinc/77/74/96/568777496.db2.gz AXKGXSWJMIGWLR-HNNXBMFYSA-N -1 3 416.485 3.353 40 0 HGABHM C[C@@]1(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)CN(c2ccccc2)C(=O)CO1 ZINC000257297286 568803512 /nfs/dbraw/zinc/80/35/12/568803512.db2.gz RGQVRJWWXWEQTA-DEOSSOPVSA-N -1 3 408.498 3.419 40 0 HGABHM COc1c(C)cccc1C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257296875 568803623 /nfs/dbraw/zinc/80/36/23/568803623.db2.gz RETHNWRFWRFYEL-UHFFFAOYSA-N -1 3 404.474 3.347 40 0 HGABHM O=C(c1cccc([O-])c1)N1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000306135346 568897196 /nfs/dbraw/zinc/89/71/96/568897196.db2.gz OOBMNSNDYPPKAK-DEOSSOPVSA-N -1 3 416.481 3.108 40 0 HGABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000006823992 569334721 /nfs/dbraw/zinc/33/47/21/569334721.db2.gz OYEWYNLZLVEAIO-GFCCVEGCSA-N -1 3 401.315 3.319 40 0 HGABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1C ZINC000007361996 569337398 /nfs/dbraw/zinc/33/73/98/569337398.db2.gz ZRQHOTDQELEQKE-UHFFFAOYSA-N -1 3 420.531 3.490 40 0 HGABHM O=C(OC1=C([O-])N(c2ccccc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000219720604 569356663 /nfs/dbraw/zinc/35/66/63/569356663.db2.gz UFSLLONQAFXJCD-BGYRXZFFSA-N -1 3 415.401 3.011 40 0 HGABHM O=C(OC1=C([O-])N(c2ccccc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000219720604 569356665 /nfs/dbraw/zinc/35/66/65/569356665.db2.gz UFSLLONQAFXJCD-BGYRXZFFSA-N -1 3 415.401 3.011 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000040390600 523181370 /nfs/dbraw/zinc/18/13/70/523181370.db2.gz LCRJBCJETRQKHI-SJORKVTESA-N -1 3 423.517 3.220 40 0 HGABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2F)CC(=O)N3)cc1 ZINC000040400535 525329036 /nfs/dbraw/zinc/32/90/36/525329036.db2.gz YVZBYSOZARQMRX-AWEZNQCLSA-N -1 3 421.432 3.334 40 0 HGABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)NCc1ccccc1 ZINC000408544232 557360879 /nfs/dbraw/zinc/36/08/79/557360879.db2.gz UITBQDBYNCXJSQ-UHFFFAOYSA-N -1 3 419.304 3.348 40 0 HGABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)NCc1ccccc1 ZINC000408544232 557360882 /nfs/dbraw/zinc/36/08/82/557360882.db2.gz UITBQDBYNCXJSQ-UHFFFAOYSA-N -1 3 419.304 3.348 40 0 HGABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000408599861 557510149 /nfs/dbraw/zinc/51/01/49/557510149.db2.gz MZEZUANRFIYZDX-INIZCTEOSA-N -1 3 410.499 3.027 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NC1CCCCCCC1 ZINC000408611774 557529652 /nfs/dbraw/zinc/52/96/52/557529652.db2.gz WJZNLMDJBJLZKH-CYBMUJFWSA-N -1 3 402.944 3.245 40 0 HGABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)CC ZINC000408697070 557714320 /nfs/dbraw/zinc/71/43/20/557714320.db2.gz GZHBBHAVGLPXKW-UHFFFAOYSA-N -1 3 406.460 3.006 40 0 HGABHM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1 ZINC000020453878 558367751 /nfs/dbraw/zinc/36/77/51/558367751.db2.gz RYEJPIBABAFRFI-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c1 ZINC000030426048 558730113 /nfs/dbraw/zinc/73/01/13/558730113.db2.gz YRZIMHKXYAJZSX-UHFFFAOYSA-N -1 3 423.918 3.153 40 0 HGABHM CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCCC3)[n-]c2=O)C1 ZINC000019018921 558837311 /nfs/dbraw/zinc/83/73/11/558837311.db2.gz UOQORHSDCVCBNO-IBGZPJMESA-N -1 3 400.523 3.111 40 0 HGABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CCC3)[n-]c(=O)c2C1 ZINC000019238663 558857487 /nfs/dbraw/zinc/85/74/87/558857487.db2.gz MZERMQURYIAMIX-GOSISDBHSA-N -1 3 412.559 3.162 40 0 HGABHM O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349260 558874856 /nfs/dbraw/zinc/87/48/56/558874856.db2.gz CBAVOVHQKUXOBW-OAQYLSRUSA-N -1 3 424.520 3.321 40 0 HGABHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019463383 558894343 /nfs/dbraw/zinc/89/43/43/558894343.db2.gz KGTBTABUXNEZMY-DKSSEZFCSA-N -1 3 412.559 3.099 40 0 HGABHM Cc1c(CN2CCC[C@](C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])C2)cnn1C ZINC000019553596 558916825 /nfs/dbraw/zinc/91/68/25/558916825.db2.gz ZFBVVSZQJNIHHX-SIKLNZKXSA-N -1 3 414.481 3.118 40 0 HGABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1Cl ZINC000071980271 558916957 /nfs/dbraw/zinc/91/69/57/558916957.db2.gz LPXIBHGYCWHZNQ-OAHLLOKOSA-N -1 3 401.290 3.121 40 0 HGABHM Cc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019580212 558935772 /nfs/dbraw/zinc/93/57/72/558935772.db2.gz VJYBGAILYZCZSO-LJQANCHMSA-N -1 3 415.453 3.151 40 0 HGABHM CCc1nnc([N-]c2cccc(C3CCN(CC(=O)N4CCCC4)CC3)n2)s1 ZINC000072376133 558965284 /nfs/dbraw/zinc/96/52/84/558965284.db2.gz KAELLHRFQKWPML-UHFFFAOYSA-N -1 3 400.552 3.041 40 0 HGABHM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc([N-]c3ncccn3)n2)cc1C ZINC000072376381 558965632 /nfs/dbraw/zinc/96/56/32/558965632.db2.gz SQGBABQSKSEQQS-GOSISDBHSA-N -1 3 410.503 3.153 40 0 HGABHM CN(CCc1ccccn1)c1nc(C2CCN(Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717547 558980385 /nfs/dbraw/zinc/98/03/85/558980385.db2.gz IOXFDCGXKQFPNM-UHFFFAOYSA-N -1 3 404.518 3.031 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000139076175 559288448 /nfs/dbraw/zinc/28/84/48/559288448.db2.gz YKORAJWGZXCCHQ-RHSMWYFYSA-N -1 3 423.517 3.194 40 0 HGABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C(=O)OC ZINC000005007047 560620681 /nfs/dbraw/zinc/62/06/81/560620681.db2.gz XSFHAQDSBGDAAT-UHFFFAOYSA-N -1 3 418.471 3.214 40 0 HGABHM CC(C)(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000005624913 560627768 /nfs/dbraw/zinc/62/77/68/560627768.db2.gz GIFUHYXPKOBYOU-MRXNPFEDSA-N -1 3 408.506 3.117 40 0 HGABHM CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1[O-] ZINC000408820950 560645521 /nfs/dbraw/zinc/64/55/21/560645521.db2.gz AUTPCNLKHCYEJF-POHAHGRESA-N -1 3 405.213 3.062 40 0 HGABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000409054825 560671405 /nfs/dbraw/zinc/67/14/05/560671405.db2.gz BSNCGDZTTLNSFR-RRUGBERISA-N -1 3 400.397 3.132 40 0 HGABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccccc2OC)N1 ZINC000409344651 560712228 /nfs/dbraw/zinc/71/22/28/560712228.db2.gz GEKONXXQOVBOFR-KRWDZBQOSA-N -1 3 401.385 3.053 40 0 HGABHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000005518033 568446984 /nfs/dbraw/zinc/44/69/84/568446984.db2.gz GGMRDPNNDBIXGV-HBMCJLEFSA-N -1 3 414.417 3.436 40 0 HGABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000223304326 568544639 /nfs/dbraw/zinc/54/46/39/568544639.db2.gz ISHKZLSJEXVZHA-UHFFFAOYSA-N -1 3 403.287 3.261 40 0 HGABHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000223580315 568552296 /nfs/dbraw/zinc/55/22/96/568552296.db2.gz OSYRFFYEHALDOM-UHFFFAOYSA-N -1 3 408.277 3.286 40 0 HGABHM Cc1cccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000223640218 568554575 /nfs/dbraw/zinc/55/45/75/568554575.db2.gz DOVIMVBCOKDYCL-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2ccc(Cl)cc2)c(Cl)c1 ZINC000224406000 568580420 /nfs/dbraw/zinc/58/04/20/568580420.db2.gz YDUWJFVEDQHUKX-UHFFFAOYSA-N -1 3 403.287 3.174 40 0 HGABHM C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257307580 568806619 /nfs/dbraw/zinc/80/66/19/568806619.db2.gz SZHMHXOWSPTKGW-HNNXBMFYSA-N -1 3 422.464 3.323 40 0 HGABHM Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(Cc1ccc([O-])c(F)c1)CCO2 ZINC000306142695 568904569 /nfs/dbraw/zinc/90/45/69/568904569.db2.gz XGPAYDPXDQCLND-GHTZIAJQSA-N -1 3 419.522 3.240 40 0 HGABHM CCC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C[C@@H]1CC=CCC1)C3 ZINC000253373122 569317604 /nfs/dbraw/zinc/31/76/04/569317604.db2.gz HSLSPXZAKUIGGW-OXQOHEQNSA-N -1 3 409.534 3.223 40 0 HGABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCc1ccccc1 ZINC000006416053 569331967 /nfs/dbraw/zinc/33/19/67/569331967.db2.gz BCUZXNCDEBFFSB-GFCCVEGCSA-N -1 3 401.315 3.019 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000040399171 525199743 /nfs/dbraw/zinc/19/97/43/525199743.db2.gz BBWHGYGMCCJEBJ-OAHLLOKOSA-N -1 3 403.442 3.195 40 0 HGABHM COc1cc(OC)c2oc(-c3cc(OC)c(OC)c(OC)c3)c(OC)c([O-])c-2c1=O ZINC000001611398 557276063 /nfs/dbraw/zinc/27/60/63/557276063.db2.gz NRKZWKQNNBDASC-UHFFFAOYSA-N -1 3 418.398 3.217 40 0 HGABHM COc1cc(OC)c2oc(-c3cc(OC)c(OC)c(OC)c3)c(OC)c(=O)c2c1[O-] ZINC000001611398 557276065 /nfs/dbraw/zinc/27/60/65/557276065.db2.gz NRKZWKQNNBDASC-UHFFFAOYSA-N -1 3 418.398 3.217 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000408601419 557521969 /nfs/dbraw/zinc/52/19/69/557521969.db2.gz AVYLYDALAOAYBT-JTQLQIEISA-N -1 3 403.287 3.308 40 0 HGABHM Cc1cc2nc3s/c(=C\c4cc(Br)c([O-])cc4O)c(=O)n3c2cc1C ZINC000408721516 557767864 /nfs/dbraw/zinc/76/78/64/557767864.db2.gz RXSJJQDDJBEUQA-SOFYXZRVSA-N -1 3 417.284 3.247 40 0 HGABHM CCc1c(C)nc2cc([C@H]3CCN(Cc4cc(COC)ccc4OC)C3)[n-]n2c1=O ZINC000012276366 558364207 /nfs/dbraw/zinc/36/42/07/558364207.db2.gz TVJZUSAQGTYFOU-KRWDZBQOSA-N -1 3 410.518 3.450 40 0 HGABHM CCc1nc2ccc([N-]S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)cc2s1 ZINC000022255239 558474190 /nfs/dbraw/zinc/47/41/90/558474190.db2.gz LHCFLCZLLSALJV-UHFFFAOYSA-N -1 3 411.530 3.031 40 0 HGABHM CCc1nc2ccc(NS(=O)(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2s1 ZINC000022255239 558474192 /nfs/dbraw/zinc/47/41/92/558474192.db2.gz LHCFLCZLLSALJV-UHFFFAOYSA-N -1 3 411.530 3.031 40 0 HGABHM Cc1cccc(N2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)CC2)c1C ZINC000030755958 558737089 /nfs/dbraw/zinc/73/70/89/558737089.db2.gz LEYIKNMSPKKMOP-UHFFFAOYSA-N -1 3 421.950 3.291 40 0 HGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828372 558815980 /nfs/dbraw/zinc/81/59/80/558815980.db2.gz ICZUEABKUWZZRA-VBQJREDUSA-N -1 3 423.517 3.164 40 0 HGABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C(C)C)C4)[n-]c(=O)c3C2)cc1 ZINC000019135488 558846105 /nfs/dbraw/zinc/84/61/05/558846105.db2.gz JZKFMPAEFWDQPE-GOSISDBHSA-N -1 3 422.529 3.051 40 0 HGABHM Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019210820 558848383 /nfs/dbraw/zinc/84/83/83/558848383.db2.gz BDOIQNMLNPOIET-OAHLLOKOSA-N -1 3 424.526 3.375 40 0 HGABHM O=c1cc([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[n-]1 ZINC000019293308 558864894 /nfs/dbraw/zinc/86/48/94/558864894.db2.gz VZJWIMBQOFLRRV-INIZCTEOSA-N -1 3 422.451 3.005 40 0 HGABHM O=C(c1n[nH]c2c1CCCC2)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019406716 558885199 /nfs/dbraw/zinc/88/51/99/558885199.db2.gz ZKAYDNVHSVZINR-UHFFFAOYSA-N -1 3 423.542 3.195 40 0 HGABHM Cc1cc(=O)n(-c2cccc(NC(=O)C3CCN(CCc4ccccn4)CC3)c2)[n-]1 ZINC000019461971 558893722 /nfs/dbraw/zinc/89/37/22/558893722.db2.gz BLEGJJSVTBHVES-UHFFFAOYSA-N -1 3 405.502 3.087 40 0 HGABHM CCN(CC)c1ncc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)s1 ZINC000019526518 558907727 /nfs/dbraw/zinc/90/77/27/558907727.db2.gz JPCGJWRSPYGNBK-GOSISDBHSA-N -1 3 410.547 3.472 40 0 HGABHM CCOc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1OC ZINC000019533735 558913305 /nfs/dbraw/zinc/91/33/05/558913305.db2.gz AKRMOPBYDQUOBY-SFHVURJKSA-N -1 3 406.486 3.229 40 0 HGABHM CC[C@@H](C(=O)N1[C@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2)c1ccccc1 ZINC000071980613 558917317 /nfs/dbraw/zinc/91/73/17/558917317.db2.gz GEHIEJFHPFJMAP-YADHBBJMSA-N -1 3 422.525 3.485 40 0 HGABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1C ZINC000019571074 558929713 /nfs/dbraw/zinc/92/97/13/558929713.db2.gz ZBGWNFLVEOMCMN-UHFFFAOYSA-N -1 3 424.526 3.159 40 0 HGABHM Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019580209 558935753 /nfs/dbraw/zinc/93/57/53/558935753.db2.gz VJYBGAILYZCZSO-IBGZPJMESA-N -1 3 415.453 3.151 40 0 HGABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000101130166 559177350 /nfs/dbraw/zinc/17/73/50/559177350.db2.gz AIRJRZRRFRLGKT-AQNXPRMDSA-N -1 3 418.405 3.117 40 0 HGABHM CCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[n-]2)C1 ZINC000005642763 560628133 /nfs/dbraw/zinc/62/81/33/560628133.db2.gz YBEKTLIEKMIFNY-INIZCTEOSA-N -1 3 408.506 3.098 40 0 HGABHM CCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[n-]2)C1 ZINC000005642776 560628141 /nfs/dbraw/zinc/62/81/41/560628141.db2.gz YBEKTLIEKMIFNY-MRXNPFEDSA-N -1 3 408.506 3.098 40 0 HGABHM CCCC(=O)N1CCC(c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[n-]2)CC1 ZINC000005642737 560628227 /nfs/dbraw/zinc/62/82/27/560628227.db2.gz YRDNPINMNPFROY-UHFFFAOYSA-N -1 3 408.506 3.098 40 0 HGABHM O=C1NC(=Cc2ccc([O-])c(I)c2)C(=O)N1c1ccccc1 ZINC000409015373 560666243 /nfs/dbraw/zinc/66/62/43/560666243.db2.gz MLCKXQKLUNLQPG-UKTHLTGXSA-N -1 3 406.179 3.094 40 0 HGABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccccc1Cl ZINC000409142371 560681987 /nfs/dbraw/zinc/68/19/87/560681987.db2.gz CPSGWFWKONCIEW-UHFFFAOYSA-N -1 3 407.706 3.242 40 0 HGABHM CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)CC1 ZINC000409411031 560721515 /nfs/dbraw/zinc/72/15/15/560721515.db2.gz SOXITUMBWWINFS-UHFFFAOYSA-N -1 3 415.559 3.190 40 0 HGABHM CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccccc1[O-] ZINC000409412601 560723041 /nfs/dbraw/zinc/72/30/41/560723041.db2.gz YLIXZBOZYKGZND-UHFFFAOYSA-N -1 3 412.471 3.188 40 0 HGABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1[O-] ZINC000006958699 560748602 /nfs/dbraw/zinc/74/86/02/560748602.db2.gz MQJUQCIEYQJSOW-ZROIWOOFSA-N -1 3 410.879 3.103 40 0 HGABHM CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[n-]2)C1 ZINC000013083379 560792548 /nfs/dbraw/zinc/79/25/48/560792548.db2.gz GOSSOKAXCZEJBT-GOSISDBHSA-N -1 3 422.533 3.426 40 0 HGABHM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000004833751 568421122 /nfs/dbraw/zinc/42/11/22/568421122.db2.gz LECMBOBJABEQBY-GPMSIDNRSA-N -1 3 408.376 3.108 40 0 HGABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223277106 568543770 /nfs/dbraw/zinc/54/37/70/568543770.db2.gz XBLIMZTUSOFFQW-UHFFFAOYSA-N -1 3 422.812 3.284 40 0 HGABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000223622942 568553617 /nfs/dbraw/zinc/55/36/17/568553617.db2.gz QAQLIPSGDGOGRG-UHFFFAOYSA-N -1 3 405.451 3.486 40 0 HGABHM COc1ccc(CCC(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1 ZINC000257236839 568786660 /nfs/dbraw/zinc/78/66/60/568786660.db2.gz HDZYGVCBFATBKH-UHFFFAOYSA-N -1 3 418.501 3.358 40 0 HGABHM COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(C)nc(=O)[n-]3)o2)c1 ZINC000257249250 568790088 /nfs/dbraw/zinc/79/00/88/568790088.db2.gz JHMJEVFUEGECDR-IBGZPJMESA-N -1 3 408.458 3.445 40 0 HGABHM Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1 ZINC000257268412 568795233 /nfs/dbraw/zinc/79/52/33/568795233.db2.gz MLPIRGOOXUWHSO-KRWDZBQOSA-N -1 3 418.501 3.492 40 0 HGABHM O=S(=O)([N-]Cc1nccc(N2CCCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000224165332 569053321 /nfs/dbraw/zinc/05/33/21/569053321.db2.gz DJPOVDRYIGELHD-UHFFFAOYSA-N -1 3 401.319 3.252 40 0 HGABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCCOC(C)C)cc1 ZINC000107715335 569352865 /nfs/dbraw/zinc/35/28/65/569352865.db2.gz BVJATRHWOIFDID-UHFFFAOYSA-N -1 3 420.531 3.106 40 0 HGABHM Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000107904089 569353108 /nfs/dbraw/zinc/35/31/08/569353108.db2.gz GXLYDCGBQUQKQO-UHFFFAOYSA-N -1 3 411.325 3.055 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000139117692 569354470 /nfs/dbraw/zinc/35/44/70/569354470.db2.gz LCRJBCJETRQKHI-IAGOWNOFSA-N -1 3 423.517 3.220 40 0 HGABHM Cc1cnc([N-]c2nccnc2[C@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)s1 ZINC000585293154 571309485 /nfs/dbraw/zinc/30/94/85/571309485.db2.gz YJRWAYDWFRPFBU-IWAYRVGRSA-N -1 3 423.546 3.712 40 0 HGABHM CCN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)CC1 ZINC000044905122 521669833 /nfs/dbraw/zinc/66/98/33/521669833.db2.gz KGVPEBYJPKWQFM-UHFFFAOYSA-N -1 3 421.950 3.227 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000040390607 523179720 /nfs/dbraw/zinc/17/97/20/523179720.db2.gz ULDXRIHSVOQZHL-CVEARBPZSA-N -1 3 423.517 3.220 40 0 HGABHM Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[n-]c(N[C@H]2CCOc3ccccc32)n1 ZINC000072391457 524208485 /nfs/dbraw/zinc/20/84/85/524208485.db2.gz UGCBDXDHYYPYLO-HNNXBMFYSA-N -1 3 419.407 3.472 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)c(C)c1 ZINC000040399625 525219928 /nfs/dbraw/zinc/21/99/28/525219928.db2.gz RPICDZQYLAQUGH-HNNXBMFYSA-N -1 3 421.432 3.334 40 0 HGABHM COc1ccc2nc(CN3CCc4nc(N5CCC(C)CC5)[n-]c(=O)c4C3)ccc2c1 ZINC000012117871 537052938 /nfs/dbraw/zinc/05/29/38/537052938.db2.gz CCTGVTPWISABKT-UHFFFAOYSA-N -1 3 419.529 3.121 40 0 HGABHM COC(=O)c1ccc(Cl)c(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000408583968 557483582 /nfs/dbraw/zinc/48/35/82/557483582.db2.gz YYOXHOZILSSQPP-UHFFFAOYSA-N -1 3 403.851 3.038 40 0 HGABHM CCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408586678 557492931 /nfs/dbraw/zinc/49/29/31/557492931.db2.gz AXMGWJKIGMLKLB-MRXNPFEDSA-N -1 3 415.342 3.409 40 0 HGABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2)c1ccccc1 ZINC000003849258 557500903 /nfs/dbraw/zinc/50/09/03/557500903.db2.gz LOOKZQOQPJDIAB-PZJWPPBQSA-N -1 3 413.408 3.443 40 0 HGABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000408599862 557510255 /nfs/dbraw/zinc/51/02/55/557510255.db2.gz MZEZUANRFIYZDX-MRXNPFEDSA-N -1 3 410.499 3.027 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1Cl ZINC000408601799 557522366 /nfs/dbraw/zinc/52/23/66/557522366.db2.gz BPFDYBRPXZVQSM-JTQLQIEISA-N -1 3 403.287 3.308 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000408604299 557525806 /nfs/dbraw/zinc/52/58/06/557525806.db2.gz HZLPEFBURUUZAW-ZDUSSCGKSA-N -1 3 400.928 3.022 40 0 HGABHM CCOc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408618945 557535739 /nfs/dbraw/zinc/53/57/39/557535739.db2.gz GXSSNDNPBFZJGX-GFCCVEGCSA-N -1 3 412.895 3.053 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000408620287 557545546 /nfs/dbraw/zinc/54/55/46/557545546.db2.gz JBBPSEQSHPKDFE-LLVKDONJSA-N -1 3 414.936 3.376 40 0 HGABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)C(C)(C)C)CC2)[n-]c3=O)c1 ZINC000005737844 557671800 /nfs/dbraw/zinc/67/18/00/557671800.db2.gz VTEHTIMHKZHHAM-UHFFFAOYSA-N -1 3 422.533 3.344 40 0 HGABHM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000020457132 558370541 /nfs/dbraw/zinc/37/05/41/558370541.db2.gz XVIQOUBJSZXBAO-LBPRGKRZSA-N -1 3 423.922 3.492 40 0 HGABHM COCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]c(=O)c1CCC(C)C ZINC000022448881 558490165 /nfs/dbraw/zinc/49/01/65/558490165.db2.gz BYXIDXWJFPKZFY-UHFFFAOYSA-N -1 3 404.942 3.485 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610061 558501628 /nfs/dbraw/zinc/50/16/28/558501628.db2.gz CLGYGLYJSWWGJF-QGZVFWFLSA-N -1 3 423.517 3.194 40 0 HGABHM COc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000013670524 558561993 /nfs/dbraw/zinc/56/19/93/558561993.db2.gz HVVYJUJUHNCZNP-JTQLQIEISA-N -1 3 406.323 3.265 40 0 HGABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)cc1C ZINC000013848785 558598072 /nfs/dbraw/zinc/59/80/72/558598072.db2.gz VAMVJHPPLIDXKL-UHFFFAOYSA-N -1 3 402.516 3.359 40 0 HGABHM CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)c([O-])c1Cl ZINC000036612791 558728045 /nfs/dbraw/zinc/72/80/45/558728045.db2.gz ANEJPHRSFVUOBU-UHFFFAOYSA-N -1 3 409.866 3.415 40 0 HGABHM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)ccc1Cl ZINC000030756701 558737320 /nfs/dbraw/zinc/73/73/20/558737320.db2.gz UEBNMICTMHTZLU-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[n-]c2=O)C1 ZINC000019014683 558836856 /nfs/dbraw/zinc/83/68/56/558836856.db2.gz FCFBNSCBVWQFIC-IBGZPJMESA-N -1 3 412.534 3.111 40 0 HGABHM CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019081282 558839388 /nfs/dbraw/zinc/83/93/88/558839388.db2.gz SADJVYKGDFLATH-OAHLLOKOSA-N -1 3 414.575 3.142 40 0 HGABHM Cc1nc2cc(C(=O)N[C@@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)ccc2n1C ZINC000019285386 558859856 /nfs/dbraw/zinc/85/98/56/558859856.db2.gz CTNYQCPHFYMIQQ-IBGZPJMESA-N -1 3 419.460 3.126 40 0 HGABHM Cc1nc2cc(C(=O)N[C@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)ccc2n1C ZINC000019285384 558859868 /nfs/dbraw/zinc/85/98/68/558859868.db2.gz CTNYQCPHFYMIQQ-LJQANCHMSA-N -1 3 419.460 3.126 40 0 HGABHM Cc1nc(C[C@@H](NC(=O)c2nccc3ccccc32)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285373 558859920 /nfs/dbraw/zinc/85/99/20/558859920.db2.gz FUUKSDHRWDVCBD-HXUWFJFHSA-N -1 3 402.429 3.479 40 0 HGABHM O=c1cc(C2CCN(Cc3c[nH]cc4c(Cl)nnc3-4)CC2)nc(-c2cccnc2)[n-]1 ZINC000019340899 558871637 /nfs/dbraw/zinc/87/16/37/558871637.db2.gz MDYHTQSKKUYEGA-UHFFFAOYSA-N -1 3 421.892 3.136 40 0 HGABHM O=C(Cc1cccc(F)c1)N[C@@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccccc1 ZINC000019369357 558878001 /nfs/dbraw/zinc/87/80/01/558878001.db2.gz SCZNCZLUAJAOOS-NRFANRHFSA-N -1 3 420.488 3.152 40 0 HGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCN4C(=O)C4CCCCC4)[n-]n3c(=O)c2C1 ZINC000019448109 558886697 /nfs/dbraw/zinc/88/66/97/558886697.db2.gz XWSYJDGUXKRLHF-FQEVSTJZSA-N -1 3 411.550 3.445 40 0 HGABHM CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019499784 558897761 /nfs/dbraw/zinc/89/77/61/558897761.db2.gz OQATWKUFUVPNCU-AEFFLSMTSA-N -1 3 424.545 3.111 40 0 HGABHM CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(-c2cccnc2OC)cc(=O)[n-]1 ZINC000019520071 558901070 /nfs/dbraw/zinc/90/10/70/558901070.db2.gz CDPAIWNJCIXGNJ-GOSISDBHSA-N -1 3 420.469 3.217 40 0 HGABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071980326 558917035 /nfs/dbraw/zinc/91/70/35/558917035.db2.gz VGOKGGJEMONONW-OAQYLSRUSA-N -1 3 408.498 3.481 40 0 HGABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1 ZINC000019554113 558917254 /nfs/dbraw/zinc/91/72/54/558917254.db2.gz UAIUBCSNXKQFGR-UHFFFAOYSA-N -1 3 409.511 3.456 40 0 HGABHM COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000019554534 558917445 /nfs/dbraw/zinc/91/74/45/558917445.db2.gz SOEUMIMLGPTGKT-HXUWFJFHSA-N -1 3 404.470 3.137 40 0 HGABHM COc1cccc(C(=O)N2CCC(Nc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1 ZINC000019564268 558924416 /nfs/dbraw/zinc/92/44/16/558924416.db2.gz XGLDYFRREIHBOQ-UHFFFAOYSA-N -1 3 410.499 3.224 40 0 HGABHM COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(F)cc2)cc1C ZINC000019571233 558929910 /nfs/dbraw/zinc/92/99/10/558929910.db2.gz UFVITAWAXAJDNW-HXUWFJFHSA-N -1 3 409.461 3.177 40 0 HGABHM COCc1ccc(OC)c(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)c1 ZINC000072352944 558949366 /nfs/dbraw/zinc/94/93/66/558949366.db2.gz RSPVRODVYWDRDD-LJQANCHMSA-N -1 3 420.513 3.367 40 0 HGABHM CCC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C[C@H]1CC=CCC1)C3 ZINC000100234315 559132942 /nfs/dbraw/zinc/13/29/42/559132942.db2.gz HSLSPXZAKUIGGW-JXFKEZNVSA-N -1 3 409.534 3.223 40 0 HGABHM CN1CC=C2C(C(=O)[O-])=C(N)C(C#N)(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000020477645 560715355 /nfs/dbraw/zinc/71/53/55/560715355.db2.gz KSWMMBWEAQNGHS-IRLDBZIGSA-N -1 3 410.477 3.270 40 0 HGABHM COc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000409389677 560720548 /nfs/dbraw/zinc/72/05/48/560720548.db2.gz IGOKMWKCSQYQTD-SNVBAGLBSA-N -1 3 403.287 3.308 40 0 HGABHM CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000013083250 560792545 /nfs/dbraw/zinc/79/25/45/560792545.db2.gz XYQCCEFNZDFIFM-UHFFFAOYSA-N -1 3 408.506 3.262 40 0 HGABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1C ZINC000223234593 568541831 /nfs/dbraw/zinc/54/18/31/568541831.db2.gz GTJRCJZITXZBSL-AWEZNQCLSA-N -1 3 416.528 3.447 40 0 HGABHM O=S(=O)(Cc1cccc(Br)c1)[N-]Cc1nc(-c2ccccc2)no1 ZINC000223655609 568555189 /nfs/dbraw/zinc/55/51/89/568555189.db2.gz YMOXQEVILWACNP-UHFFFAOYSA-N -1 3 408.277 3.119 40 0 HGABHM COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc(C)nc(=O)[n-]3)C2)o1 ZINC000257227813 568784300 /nfs/dbraw/zinc/78/43/00/568784300.db2.gz FRAHTABCXLOEEE-MRXNPFEDSA-N -1 3 408.458 3.098 40 0 HGABHM CN(C(=O)c1cc(-c2ccccc2)ccc1[O-])[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257232406 568785479 /nfs/dbraw/zinc/78/54/79/568785479.db2.gz GKSWENJFUWDJLI-YMPZKCBVSA-N -1 3 404.466 3.497 40 0 HGABHM COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C)nc(=O)[n-]2)o1 ZINC000257248788 568789925 /nfs/dbraw/zinc/78/99/25/568789925.db2.gz JFEPZXLVKVMJIU-GOSISDBHSA-N -1 3 408.458 3.445 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(C)c2)cc1 ZINC000007362014 569337382 /nfs/dbraw/zinc/33/73/82/569337382.db2.gz XERBEAOSNOETGI-UHFFFAOYSA-N -1 3 420.531 3.488 40 0 HGABHM O=c1[n-]c(-c2ccncc2)nc2c1CCN(Cc1ccccc1N1CCCCC1)C2 ZINC000012666712 132365980 /nfs/dbraw/zinc/36/59/80/132365980.db2.gz PMSFXIUNRSGOSH-UHFFFAOYSA-N -1 3 401.514 3.381 40 0 HGABHM CC(C)(C)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccccc3)CC2)C1 ZINC000012481327 534455949 /nfs/dbraw/zinc/45/59/49/534455949.db2.gz FIRWIIWANBXAJM-PMACEKPBSA-N -1 3 415.578 3.184 40 0 biogenic,in-vitro HGABHM COc1ccc(CN(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1OC ZINC000044949691 524000090 /nfs/dbraw/zinc/00/00/90/524000090.db2.gz UADXQQGFDMRJOU-UHFFFAOYSA-N -1 3 412.895 3.001 40 0 HGABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000040399756 524153971 /nfs/dbraw/zinc/15/39/71/524153971.db2.gz RFVZHEVCVBQSNM-OAHLLOKOSA-N -1 3 421.432 3.334 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000408620289 557545600 /nfs/dbraw/zinc/54/56/00/557545600.db2.gz JBBPSEQSHPKDFE-NSHDSACASA-N -1 3 414.936 3.376 40 0 HGABHM N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)[O-] ZINC000006095916 557686940 /nfs/dbraw/zinc/68/69/40/557686940.db2.gz CQWAYRTZXZSUEP-OAQYLSRUSA-N -1 3 420.534 3.240 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccco1 ZINC000006145934 557691072 /nfs/dbraw/zinc/69/10/72/557691072.db2.gz BZBCQZPPIKPHHK-UHFFFAOYSA-N -1 3 406.323 3.262 40 0 HGABHM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020042708 558326361 /nfs/dbraw/zinc/32/63/61/558326361.db2.gz BFTOVVHISRRESD-UHFFFAOYSA-N -1 3 423.922 3.492 40 0 HGABHM Cc1ccc([C@H]2CCCN2C(=O)CC[C@@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1C ZINC000019213723 558849448 /nfs/dbraw/zinc/84/94/48/558849448.db2.gz ZZQDSOAPDNHNKI-YKSBVNFPSA-N -1 3 405.498 3.482 40 0 HGABHM COc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019240990 558859471 /nfs/dbraw/zinc/85/94/71/558859471.db2.gz JCORZYFDWCUEOW-NRFANRHFSA-N -1 3 416.481 3.211 40 0 HGABHM CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285322 558859747 /nfs/dbraw/zinc/85/97/47/558859747.db2.gz HEUTZKSMVGGXRW-FQEVSTJZSA-N -1 3 424.888 3.404 40 0 HGABHM O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccccc1 ZINC000019369354 558877954 /nfs/dbraw/zinc/87/79/54/558877954.db2.gz SCZNCZLUAJAOOS-OAQYLSRUSA-N -1 3 420.488 3.152 40 0 HGABHM CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2cccnc2OC)cc(=O)[n-]1 ZINC000019520072 558901086 /nfs/dbraw/zinc/90/10/86/558901086.db2.gz CDPAIWNJCIXGNJ-SFHVURJKSA-N -1 3 420.469 3.217 40 0 HGABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000071980365 558917233 /nfs/dbraw/zinc/91/72/33/558917233.db2.gz DJZDOYUNUKYGAW-HNNXBMFYSA-N -1 3 401.290 3.121 40 0 HGABHM COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccc(F)cc2)cn1 ZINC000019561886 558922712 /nfs/dbraw/zinc/92/27/12/558922712.db2.gz VJKRFWVXUGVESH-IBGZPJMESA-N -1 3 422.460 3.294 40 0 HGABHM COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(N[C@@H]3CCc4ccccc43)n2)CC1=O ZINC000019571066 558929729 /nfs/dbraw/zinc/92/97/29/558929729.db2.gz MJPUJDFQDJVRDP-FUHWJXTLSA-N -1 3 416.481 3.398 40 0 HGABHM Cc1ccnc(-n2cccc2CN2CCc3c(=O)[n-]c(N4CCC[C@H](C)C4)nc3C2)c1 ZINC000072335631 558936686 /nfs/dbraw/zinc/93/66/86/558936686.db2.gz GNAZTAOUNDEVMZ-SFHVURJKSA-N -1 3 418.545 3.059 40 0 HGABHM CCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[n-]2)C1 ZINC000008579750 560637597 /nfs/dbraw/zinc/63/75/97/560637597.db2.gz ZSFSQWIZDQUIDE-KRWDZBQOSA-N -1 3 422.533 3.488 40 0 HGABHM CCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cc(C)ccc3C)c(=O)[n-]2)C1 ZINC000008763168 560638414 /nfs/dbraw/zinc/63/84/14/560638414.db2.gz ZSFSQWIZDQUIDE-QGZVFWFLSA-N -1 3 422.533 3.488 40 0 HGABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000409393897 560719621 /nfs/dbraw/zinc/71/96/21/560719621.db2.gz YYYQVERXEFLKRG-SECBINFHSA-N -1 3 417.270 3.028 40 0 HGABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 ZINC000223248276 568542617 /nfs/dbraw/zinc/54/26/17/568542617.db2.gz QXPSZLYPLDLMHK-UHFFFAOYSA-N -1 3 404.532 3.388 40 0 HGABHM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(N3CCN(C)CC3)cc1)CCCC2 ZINC000223330546 568545490 /nfs/dbraw/zinc/54/54/90/568545490.db2.gz BVFPHJXNUVRYHK-UHFFFAOYSA-N -1 3 415.559 3.127 40 0 HGABHM 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COc1ccc(S(=O)(=O)[N-]Cc2c(OC)cccc2OC)c(Cl)c1Cl ZINC000223717367 568557310 /nfs/dbraw/zinc/55/73/10/568557310.db2.gz UDXDAFCANAVJFA-UHFFFAOYSA-N -1 3 406.287 3.498 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(Cl)c1 ZINC000223855809 568561043 /nfs/dbraw/zinc/56/10/43/568561043.db2.gz SWOGGCIBWNUFMK-UHFFFAOYSA-N -1 3 408.892 3.482 40 0 HGABHM CCOc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1OC ZINC000095534279 568635414 /nfs/dbraw/zinc/63/54/14/568635414.db2.gz VMZJXZVMIXGGHU-MRXNPFEDSA-N -1 3 419.279 3.395 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257313415 568808196 /nfs/dbraw/zinc/80/81/96/568808196.db2.gz USHKUNGKGCZVBE-CYBMUJFWSA-N -1 3 414.849 3.140 40 0 HGABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCN3CCOCC3)c1[O-])OC2(C)C ZINC000257320395 568810427 /nfs/dbraw/zinc/81/04/27/568810427.db2.gz VWPRVWBHPKAFHD-KBAYOESNSA-N -1 3 402.535 3.145 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1C ZINC000253562070 569317927 /nfs/dbraw/zinc/31/79/27/569317927.db2.gz CUSWWPCOKVHGEX-GDBMZVCRSA-N -1 3 409.490 3.242 40 0 HGABHM C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000253592210 569318243 /nfs/dbraw/zinc/31/82/43/569318243.db2.gz ULFOUKLGNKCACO-IIMJZQEZSA-N -1 3 410.493 3.199 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CC)c(C)c2)cc1 ZINC000007362010 569337394 /nfs/dbraw/zinc/33/73/94/569337394.db2.gz HLMIXKODFHAVFF-INIZCTEOSA-N -1 3 420.531 3.488 40 0 HGABHM CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000033748530 569351241 /nfs/dbraw/zinc/35/12/41/569351241.db2.gz HYQCQOLGGUAOEC-UHFFFAOYSA-N -1 3 402.394 3.021 40 0 HGABHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccccc1 ZINC000040387917 522710832 /nfs/dbraw/zinc/71/08/32/522710832.db2.gz ROSUJWLBKQTHNF-UHFFFAOYSA-N -1 3 410.437 3.053 40 0 HGABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 ZINC000019821124 523494651 /nfs/dbraw/zinc/49/46/51/523494651.db2.gz HKRJAEXXGPBZMH-KRWDZBQOSA-N -1 3 421.497 3.157 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400359 525219433 /nfs/dbraw/zinc/21/94/33/525219433.db2.gz VUDDODLSCOCDNI-INIZCTEOSA-N -1 3 403.442 3.195 40 0 HGABHM CCCn1nnc(NC(=S)[N-]C(=O)COc2ccc(C3CCCCC3)cc2)n1 ZINC000001267359 557252889 /nfs/dbraw/zinc/25/28/89/557252889.db2.gz QLXVEGYZCVBWPW-UHFFFAOYSA-N -1 3 402.524 3.023 40 0 HGABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000408601760 557522135 /nfs/dbraw/zinc/52/21/35/557522135.db2.gz HDKQJJNYEXPFPZ-NSHDSACASA-N -1 3 402.394 3.020 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC3)c(Cl)c2)cc1 ZINC000408636697 557611623 /nfs/dbraw/zinc/61/16/23/557611623.db2.gz TUDXWTHDEHDPCD-UHFFFAOYSA-N -1 3 424.906 3.197 40 0 HGABHM Cc1cc2c(nc3s/c(=C\c4cc(Br)c([O-])cc4O)c(=O)n32)c(C)c1 ZINC000408720863 557768765 /nfs/dbraw/zinc/76/87/65/557768765.db2.gz GFGWWGUYRPBTPY-UUASQNMZSA-N -1 3 417.284 3.247 40 0 HGABHM COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 ZINC000019821122 558290577 /nfs/dbraw/zinc/29/05/77/558290577.db2.gz HKRJAEXXGPBZMH-QGZVFWFLSA-N -1 3 421.497 3.157 40 0 HGABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000100969863 558822748 /nfs/dbraw/zinc/82/27/48/558822748.db2.gz CAUKAGFZMJWBNQ-BDTNDASRSA-N -1 3 416.433 3.452 40 0 HGABHM CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019016755 558837121 /nfs/dbraw/zinc/83/71/21/558837121.db2.gz XLCFPLCCZZSHFO-SFHVURJKSA-N -1 3 414.531 3.223 40 0 HGABHM CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019081342 558839560 /nfs/dbraw/zinc/83/95/60/558839560.db2.gz VQTRAHMZIPFWCZ-OAHLLOKOSA-N -1 3 414.531 3.152 40 0 HGABHM COc1ccccc1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019285126 558859590 /nfs/dbraw/zinc/85/95/90/558859590.db2.gz BPVRLSBEQAVZEO-HXUWFJFHSA-N -1 3 416.481 3.211 40 0 HGABHM O=c1cc([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[n-]1 ZINC000019293307 558865002 /nfs/dbraw/zinc/86/50/02/558865002.db2.gz VZJWIMBQOFLRRV-MRXNPFEDSA-N -1 3 422.451 3.005 40 0 HGABHM O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019403705 558884371 /nfs/dbraw/zinc/88/43/71/558884371.db2.gz ATKQOGBBJPNXJG-HXUWFJFHSA-N -1 3 422.533 3.030 40 0 HGABHM COc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450499 558888841 /nfs/dbraw/zinc/88/88/41/558888841.db2.gz YSSHNBKLWXVDLS-UHFFFAOYSA-N -1 3 420.513 3.229 40 0 HGABHM CC(C)c1ccccc1OCC(=O)N1CC[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019453353 558890833 /nfs/dbraw/zinc/89/08/33/558890833.db2.gz PURCLSUKKGTILD-GOSISDBHSA-N -1 3 418.497 3.350 40 0 HGABHM CCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)nc(C)[n-]c1=O)CC2 ZINC000019523054 558904175 /nfs/dbraw/zinc/90/41/75/558904175.db2.gz PBZZHKSMGLOKPP-UHFFFAOYSA-N -1 3 421.501 3.198 40 0 HGABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1Cl ZINC000071980566 558917370 /nfs/dbraw/zinc/91/73/70/558917370.db2.gz XXTFNKVCSFSVPG-IBGZPJMESA-N -1 3 414.889 3.258 40 0 HGABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c(=O)[nH]c1C ZINC000019566763 558926268 /nfs/dbraw/zinc/92/62/68/558926268.db2.gz VYSFMBLSYKROCP-QGZVFWFLSA-N -1 3 410.499 3.171 40 0 HGABHM COc1ccc(CC(=O)N2CCCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377931 558967189 /nfs/dbraw/zinc/96/71/89/558967189.db2.gz VNWUYGSCMYQTDA-IBGZPJMESA-N -1 3 404.474 3.315 40 0 HGABHM CO[C@H]1CC[C@H](C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)CC1 ZINC000100744576 559139560 /nfs/dbraw/zinc/13/95/60/559139560.db2.gz BEMPAYMPSCHDEI-GASCZTMLSA-N -1 3 402.520 3.217 40 0 HGABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000006544832 560632263 /nfs/dbraw/zinc/63/22/63/560632263.db2.gz XFHCKFDVODJIPA-UHFFFAOYSA-N -1 3 424.862 3.250 40 0 HGABHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NCCc3ccccc3)c(C)s2)no1 ZINC000006680221 560633741 /nfs/dbraw/zinc/63/37/41/560633741.db2.gz MGSOJPHZWGLOGC-UHFFFAOYSA-N -1 3 405.501 3.126 40 0 HGABHM Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3c([O-])ccc4ccccc43)C2=O)cc1 ZINC000409015688 560666490 /nfs/dbraw/zinc/66/64/90/560666490.db2.gz PMOPPQRYVHDTEB-UNOMPAQXSA-N -1 3 401.422 3.385 40 0 HGABHM COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(I)c1[O-] ZINC000409057231 560670480 /nfs/dbraw/zinc/67/04/80/560670480.db2.gz JZHCEJGDHPVKRZ-WDZFZDKYSA-N -1 3 419.240 3.450 40 0 HGABHM CCOC(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2cc(Br)ccc21 ZINC000409141999 560683589 /nfs/dbraw/zinc/68/35/89/560683589.db2.gz KRPBBLUHSQFRKB-ACAGNQJTSA-N -1 3 409.261 3.291 40 0 HGABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000060512832 560868806 /nfs/dbraw/zinc/86/88/06/560868806.db2.gz ACHKPRKJICRFOW-LBPRGKRZSA-N -1 3 413.326 3.245 40 0 HGABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000222676535 568523281 /nfs/dbraw/zinc/52/32/81/568523281.db2.gz KJKSCGHPZFQWOI-UHFFFAOYSA-N -1 3 410.495 3.491 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)N(C)C ZINC000223245773 568542446 /nfs/dbraw/zinc/54/24/46/568542446.db2.gz PCMAVRWZSHTRHT-UHFFFAOYSA-N -1 3 416.421 3.282 40 0 HGABHM O=S(=O)(Cc1ccc(Br)cc1)[N-]Cc1nc(-c2ccccc2)no1 ZINC000223652615 568555012 /nfs/dbraw/zinc/55/50/12/568555012.db2.gz UVDVQJYFGYGWPO-UHFFFAOYSA-N -1 3 408.277 3.119 40 0 HGABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 ZINC000224361362 568579206 /nfs/dbraw/zinc/57/92/06/568579206.db2.gz FXAZFHWWOLNYST-CQSZACIVSA-N -1 3 416.528 3.447 40 0 HGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000224461938 568581934 /nfs/dbraw/zinc/58/19/34/568581934.db2.gz RZHGGZJILYNWBI-UHFFFAOYSA-N -1 3 418.500 3.228 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccccc1C ZINC000225132300 568616550 /nfs/dbraw/zinc/61/65/50/568616550.db2.gz XCLZGRRGBJWARE-UHFFFAOYSA-N -1 3 400.294 3.123 40 0 HGABHM COc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1OC ZINC000095533850 568635421 /nfs/dbraw/zinc/63/54/21/568635421.db2.gz BUWSWNIQVOQOQF-HNNXBMFYSA-N -1 3 405.252 3.005 40 0 HGABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCC2CCCCC2)[C@@H]1O ZINC000257230719 568785094 /nfs/dbraw/zinc/78/50/94/568785094.db2.gz GDPRPRAZCRLGTK-CTPLVJPESA-N -1 3 415.530 3.294 40 0 HGABHM CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc([O-])ccc1Br ZINC000261364384 568819552 /nfs/dbraw/zinc/81/95/52/568819552.db2.gz LFAUUESJHFSMDM-OAHLLOKOSA-O -1 3 418.296 3.299 40 0 HGABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000139118365 569354538 /nfs/dbraw/zinc/35/45/38/569354538.db2.gz ULDXRIHSVOQZHL-JKSUJKDBSA-N -1 3 423.517 3.220 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389006 519837580 /nfs/dbraw/zinc/83/75/80/519837580.db2.gz FIPMOWCVNGAYCI-YOEHRIQHSA-N -1 3 423.517 3.337 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388778 519837723 /nfs/dbraw/zinc/83/77/23/519837723.db2.gz YKORAJWGZXCCHQ-PBHICJAKSA-N -1 3 423.517 3.194 40 0 HGABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)c(Cl)c1 ZINC000044900974 521514345 /nfs/dbraw/zinc/51/43/45/521514345.db2.gz JWTDDTPLHWTFBS-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399631 523987560 /nfs/dbraw/zinc/98/75/60/523987560.db2.gz JIYWCVLYFDFTJE-MRXNPFEDSA-N -1 3 421.432 3.280 40 0 HGABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040400363 525329826 /nfs/dbraw/zinc/32/98/26/525329826.db2.gz YWNUMAISZCVWII-INIZCTEOSA-N -1 3 403.442 3.195 40 0 HGABHM COC(=O)c1ccccc1NC(=O)CSc1n[n-]c(COc2ccccc2F)n1 ZINC000408528286 557296439 /nfs/dbraw/zinc/29/64/39/557296439.db2.gz VNEBXDWUGXGTHR-UHFFFAOYSA-N -1 3 416.434 3.040 40 0 HGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NC1CC1 ZINC000408561239 557459725 /nfs/dbraw/zinc/45/97/25/557459725.db2.gz RMGRWWBHYXZZSW-UHFFFAOYSA-N -1 3 414.405 3.164 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408606383 557518322 /nfs/dbraw/zinc/51/83/22/557518322.db2.gz PDBSHZUMDIARTO-HNNXBMFYSA-N -1 3 406.504 3.178 40 0 HGABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000408603468 557523933 /nfs/dbraw/zinc/52/39/33/557523933.db2.gz KEZWPSSQSKPEPD-CYBMUJFWSA-N -1 3 412.458 3.305 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1Cl ZINC000408604316 557526060 /nfs/dbraw/zinc/52/60/60/557526060.db2.gz LYGFBZXEOSVPOS-UHFFFAOYSA-N -1 3 408.907 3.450 40 0 HGABHM Cc1cc([O-])c(C(=O)[C@@H](C)SC(=S)N2CCOCC2)cc1Br ZINC000005538699 557660282 /nfs/dbraw/zinc/66/02/82/557660282.db2.gz WINHYHLEOSPUHS-SNVBAGLBSA-N -1 3 404.351 3.385 40 0 HGABHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000035314043 557689795 /nfs/dbraw/zinc/68/97/95/557689795.db2.gz TWVKLODQSQVMAC-LLVKDONJSA-N -1 3 400.485 3.453 40 0 HGABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 ZINC000020456462 558370043 /nfs/dbraw/zinc/37/00/43/558370043.db2.gz YBIQXIFPQVDOOL-HNNXBMFYSA-N -1 3 408.907 3.358 40 0 HGABHM COC(=O)c1cc(NC(=O)c2cc(OC)c3ccccc3c2[O-])cc(C(=O)OC)c1 ZINC000016194716 558777823 /nfs/dbraw/zinc/77/78/23/558777823.db2.gz ZTXWPKYWTQSCHJ-UHFFFAOYSA-N -1 3 409.394 3.380 40 0 HGABHM O=C1CC[C@H](/C=C/[C@H](O)C(F)(F)c2ccccc2)N1CCCCCCc1nnn[n-]1 ZINC000038839083 558818265 /nfs/dbraw/zinc/81/82/65/558818265.db2.gz WPTLQOYLIXWRNN-NTLDXJMESA-N -1 3 419.476 3.003 40 0 in-vitro HGABHM O=C1CC[C@H](/C=C/[C@H](O)C(F)(F)c2ccccc2)N1CCCCCCc1nn[n-]n1 ZINC000038839083 558818267 /nfs/dbraw/zinc/81/82/67/558818267.db2.gz WPTLQOYLIXWRNN-NTLDXJMESA-N -1 3 419.476 3.003 40 0 in-vitro HGABHM CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019016753 558837130 /nfs/dbraw/zinc/83/71/30/558837130.db2.gz XLCFPLCCZZSHFO-GOSISDBHSA-N -1 3 414.531 3.223 40 0 HGABHM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C(=O)C(C)C)C4)[n-]c(=O)c3C2)cc1 ZINC000019135492 558846118 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CUUBZBHURCXLNP-AXUYNXDZSA-N -1 3 406.482 3.004 40 0 HGABHM COc1ccc(CC(=O)N[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C(C)C)cc1C ZINC000019571239 558929913 /nfs/dbraw/zinc/92/99/13/558929913.db2.gz MGHJTYXFUXTLBC-JOCHJYFZSA-N -1 3 406.486 3.205 40 0 HGABHM Cc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019580196 558935799 /nfs/dbraw/zinc/93/57/99/558935799.db2.gz YMQPHZAPJMOWBO-SFHVURJKSA-N -1 3 410.449 3.495 40 0 HGABHM COc1ncccc1-c1cc(=O)[n-]c([C@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)n1 ZINC000019594678 558945533 /nfs/dbraw/zinc/94/55/33/558945533.db2.gz JFLRELXQOZUYJX-HNNXBMFYSA-N -1 3 424.888 3.053 40 0 HGABHM Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN3S(=O)(=O)c3ccccc3)n2)n1 ZINC000072376278 558965398 /nfs/dbraw/zinc/96/53/98/558965398.db2.gz PRHRAEADNVHRMC-GOSISDBHSA-N -1 3 410.503 3.153 40 0 HGABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C4CCCCC4)[n-]n3c2=O)C1 ZINC000100234258 559132866 /nfs/dbraw/zinc/13/28/66/559132866.db2.gz RKVLJOXKSMJJFS-HXUWFJFHSA-N -1 3 411.550 3.445 40 0 HGABHM COc1ccc(Cn2c(C)cc([O-])c(I)c2=O)cc1Cl ZINC000148125601 559274319 /nfs/dbraw/zinc/27/43/19/559274319.db2.gz GARFPGFTGHRCDD-UHFFFAOYSA-N -1 3 405.619 3.177 40 0 HGABHM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc(Cl)c1[O-] ZINC000409212788 560695903 /nfs/dbraw/zinc/69/59/03/560695903.db2.gz QNBVTUILHXFYSW-PDICVPPASA-N -1 3 424.906 3.492 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 ZINC000409393832 560719522 /nfs/dbraw/zinc/71/95/22/560719522.db2.gz YPRKEYJMKBORTF-UHFFFAOYSA-N -1 3 418.515 3.277 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCN(C)c1ccccc1 ZINC000007059303 560749483 /nfs/dbraw/zinc/74/94/83/560749483.db2.gz BONDLMDWQNUODA-UHFFFAOYSA-N -1 3 413.337 3.263 40 0 HGABHM CCC(CC)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013083710 560792699 /nfs/dbraw/zinc/79/26/99/560792699.db2.gz MQMHGXQKSPJYNF-QGZVFWFLSA-N -1 3 408.506 3.117 40 0 HGABHM CCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083507 560792746 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NREYYJDZOSETKH-ZDUSSCGKSA-N -1 3 402.501 3.138 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1OCC(=O)N(C)C ZINC000223245607 568542388 /nfs/dbraw/zinc/54/23/88/568542388.db2.gz QUKLIEZWNMDCFD-UHFFFAOYSA-N -1 3 400.859 3.055 40 0 HGABHM O=S(=O)(Cc1ccccc1)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223638414 568554343 /nfs/dbraw/zinc/55/43/43/568554343.db2.gz IUVAHMZCIRLWEA-UHFFFAOYSA-N -1 3 408.277 3.119 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccco3)ccc2C)cc1 ZINC000224058767 568568180 /nfs/dbraw/zinc/56/81/80/568568180.db2.gz AFAQZQFONSUDAB-UHFFFAOYSA-N -1 3 400.456 3.327 40 0 HGABHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 ZINC000224993232 568607859 /nfs/dbraw/zinc/60/78/59/568607859.db2.gz LVXATMCQWNVGRU-ZDUSSCGKSA-N -1 3 424.548 3.022 40 0 HGABHM CCn1c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)CC)cc3)cc2sc1=O ZINC000225097162 568614168 /nfs/dbraw/zinc/61/41/68/568614168.db2.gz OGFHADDIUSKCIK-UHFFFAOYSA-N -1 3 405.501 3.097 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257207360 568778257 /nfs/dbraw/zinc/77/82/57/568778257.db2.gz BHKFTFHGXRWUBX-HNNXBMFYSA-N -1 3 400.822 3.097 40 0 HGABHM COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(C)nc(=O)[n-]3)o2)c1 ZINC000257249251 568790157 /nfs/dbraw/zinc/79/01/57/568790157.db2.gz JHMJEVFUEGECDR-LJQANCHMSA-N -1 3 408.458 3.445 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257313416 568808121 /nfs/dbraw/zinc/80/81/21/568808121.db2.gz USHKUNGKGCZVBE-ZDUSSCGKSA-N -1 3 414.849 3.140 40 0 HGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1 ZINC000253578405 569318082 /nfs/dbraw/zinc/31/80/82/569318082.db2.gz YHFAZMJRHXMLJW-GDBMZVCRSA-N -1 3 409.490 3.242 40 0 HGABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000006706699 569334435 /nfs/dbraw/zinc/33/44/35/569334435.db2.gz NCCANMJKQIBXQN-UHFFFAOYSA-N -1 3 406.504 3.181 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1 ZINC000107965164 569353252 /nfs/dbraw/zinc/35/32/52/569353252.db2.gz ZLMVJZGTEKQBQY-UHFFFAOYSA-N -1 3 406.504 3.037 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000139116024 569354476 /nfs/dbraw/zinc/35/44/76/569354476.db2.gz YTAPRQJTJUGENL-IAGOWNOFSA-N -1 3 423.517 3.220 40 0 HGABHM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000044946022 521472156 /nfs/dbraw/zinc/47/21/56/521472156.db2.gz MFPXJGDZJQBFTH-UHFFFAOYSA-N -1 3 410.923 3.473 40 0 HGABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000044884605 522049312 /nfs/dbraw/zinc/04/93/12/522049312.db2.gz MEZLDFAAARVDET-UHFFFAOYSA-N -1 3 402.241 3.317 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000040390639 523180477 /nfs/dbraw/zinc/18/04/77/523180477.db2.gz DCJCPKWMUWTVKI-CVEARBPZSA-N -1 3 423.517 3.220 40 0 HGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399175 523988227 /nfs/dbraw/zinc/98/82/27/523988227.db2.gz QRJVASPVDVWMLT-MRXNPFEDSA-N -1 3 403.442 3.140 40 0 HGABHM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000044947861 524000864 /nfs/dbraw/zinc/00/08/64/524000864.db2.gz VGEDTDPOHHYPGY-LBPRGKRZSA-N -1 3 423.922 3.492 40 0 HGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c1 ZINC000040399169 524432815 /nfs/dbraw/zinc/43/28/15/524432815.db2.gz FSCIQGVRGQJIOL-MRXNPFEDSA-N -1 3 403.442 3.195 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c(F)c1 ZINC000040399250 525219473 /nfs/dbraw/zinc/21/94/73/525219473.db2.gz YXGBCRNOKYEYMP-ZDUSSCGKSA-N -1 3 407.405 3.026 40 0 HGABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000004140186 557519370 /nfs/dbraw/zinc/51/93/70/557519370.db2.gz ZWEYECKGSIUVIR-NJYVYQBISA-N -1 3 401.422 3.141 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000408617024 557543953 /nfs/dbraw/zinc/54/39/53/557543953.db2.gz CAKUHXRHLGFOFZ-SECBINFHSA-N -1 3 421.277 3.447 40 0 HGABHM CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009339 558318980 /nfs/dbraw/zinc/31/89/80/558318980.db2.gz QSTWBWRHQWTXPZ-YOEHRIQHSA-N -1 3 424.950 3.153 40 0 HGABHM CC(C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000020492853 558378737 /nfs/dbraw/zinc/37/87/37/558378737.db2.gz IEMBIWMEMWPVST-UHFFFAOYSA-N -1 3 409.895 3.102 40 0 HGABHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(c3ccccn3)CC2)[n-]1 ZINC000013611878 558548800 /nfs/dbraw/zinc/54/88/00/558548800.db2.gz XGQABRQISPXKJU-UHFFFAOYSA-N -1 3 413.934 3.437 40 0 HGABHM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000030864889 558742435 /nfs/dbraw/zinc/74/24/35/558742435.db2.gz ZLGHUPOOGCZALQ-UHFFFAOYSA-N -1 3 417.270 3.404 40 0 HGABHM COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019240988 558859595 /nfs/dbraw/zinc/85/95/95/558859595.db2.gz UHQQYXXVNGSLNF-NRFANRHFSA-N -1 3 416.481 3.211 40 0 HGABHM O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1 ZINC000019370115 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CC(C)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019448385 558887386 /nfs/dbraw/zinc/88/73/86/558887386.db2.gz POSBZNIBAKXAJO-FQEVSTJZSA-N -1 3 406.530 3.344 40 0 HGABHM CCCn1nc(C)c(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019525843 558907297 /nfs/dbraw/zinc/90/72/97/558907297.db2.gz CEADHEHUARNUGH-LJQANCHMSA-N -1 3 412.582 3.363 40 0 HGABHM CCOc1cc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)ccc1OC ZINC000019531924 558912219 /nfs/dbraw/zinc/91/22/19/558912219.db2.gz JXUYLRWETJXQMT-SFHVURJKSA-N -1 3 406.486 3.229 40 0 HGABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071980319 558916967 /nfs/dbraw/zinc/91/69/67/558916967.db2.gz JGPJHWXOMLVFFH-HNNXBMFYSA-N -1 3 401.290 3.121 40 0 HGABHM CCCN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1Cl ZINC000071980270 558916973 /nfs/dbraw/zinc/91/69/73/558916973.db2.gz LPXIBHGYCWHZNQ-HNNXBMFYSA-N -1 3 401.290 3.121 40 0 HGABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(Cl)c1 ZINC000071980652 558917413 /nfs/dbraw/zinc/91/74/13/558917413.db2.gz WGOCWTXONRKROI-IBGZPJMESA-N -1 3 414.889 3.258 40 0 HGABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCC1CCCC1 ZINC000071980695 558917625 /nfs/dbraw/zinc/91/76/25/558917625.db2.gz SHMHWJOHYRBUHW-HXUWFJFHSA-N -1 3 400.519 3.261 40 0 HGABHM Cc1cc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c(=O)[nH]c1C ZINC000019566766 558926221 /nfs/dbraw/zinc/92/62/21/558926221.db2.gz VYSFMBLSYKROCP-KRWDZBQOSA-N -1 3 410.499 3.171 40 0 HGABHM COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(F)cc2)cc1C ZINC000019571230 558929846 /nfs/dbraw/zinc/92/98/46/558929846.db2.gz UFVITAWAXAJDNW-FQEVSTJZSA-N -1 3 409.461 3.177 40 0 HGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)C[C@H]5C=CCC5)CC4)[n-]n3c(=O)c2C1 ZINC000072389796 558970331 /nfs/dbraw/zinc/97/03/31/558970331.db2.gz UDFYSTJDYLXICK-KRWDZBQOSA-N -1 3 423.561 3.264 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCN2CCCc3ccccc32)c(Cl)c1 ZINC000219287857 568488943 /nfs/dbraw/zinc/48/89/43/568488943.db2.gz AZGDAVVIDVNBJB-UHFFFAOYSA-N -1 3 421.950 3.284 40 0 HGABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000222726231 568524825 /nfs/dbraw/zinc/52/48/25/568524825.db2.gz FXDVIKAIYHCZSH-ZDUSSCGKSA-N -1 3 402.501 3.138 40 0 HGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2C)c1 ZINC000223865680 568561273 /nfs/dbraw/zinc/56/12/73/568561273.db2.gz OFSBCKPVEQTXBN-UHFFFAOYSA-N -1 3 419.890 3.099 40 0 HGABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000224876157 568601600 /nfs/dbraw/zinc/60/16/00/568601600.db2.gz LIOSQBAJZLCHCZ-UHFFFAOYSA-N -1 3 418.393 3.144 40 0 HGABHM Cc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225808666 568676254 /nfs/dbraw/zinc/67/62/54/568676254.db2.gz GREPERCKFXVVSX-CYBMUJFWSA-N -1 3 424.548 3.022 40 0 HGABHM Cc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225808651 568676282 /nfs/dbraw/zinc/67/62/82/568676282.db2.gz GREPERCKFXVVSX-ZDUSSCGKSA-N -1 3 424.548 3.022 40 0 HGABHM COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)cc1Cl ZINC000225922824 568686500 /nfs/dbraw/zinc/68/65/00/568686500.db2.gz LZRLXCNNAWQKFD-UHFFFAOYSA-N -1 3 414.886 3.324 40 0 HGABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225928411 568686734 /nfs/dbraw/zinc/68/67/34/568686734.db2.gz XWMWMNVYDFVXTB-UHFFFAOYSA-N -1 3 412.870 3.078 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257207361 568778417 /nfs/dbraw/zinc/77/84/17/568778417.db2.gz BHKFTFHGXRWUBX-OAHLLOKOSA-N -1 3 400.822 3.097 40 0 HGABHM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257301566 568804902 /nfs/dbraw/zinc/80/49/02/568804902.db2.gz RYZOCRWUCBAJMS-OAHLLOKOSA-N -1 3 422.464 3.323 40 0 HGABHM COc1cc2c(cc1CN1CCO[C@H](c3cncc([N-]c4ncccn4)n3)C1)CCC2 ZINC000257343896 568817198 /nfs/dbraw/zinc/81/71/98/568817198.db2.gz ZUULMRJQUVRHAF-NRFANRHFSA-N -1 3 418.501 3.081 40 0 HGABHM CN(C)CCNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329040728 568974199 /nfs/dbraw/zinc/97/41/99/568974199.db2.gz SECVXCWVYDZPHH-UHFFFAOYSA-N -1 3 419.316 3.112 40 0 HGABHM COc1ccc2[nH]c(CN3CCc4c(nc(N5CCC[C@@H](C)C5)[n-]c4=O)C3)c(C)c2c1 ZINC000019565494 569345690 /nfs/dbraw/zinc/34/56/90/569345690.db2.gz CXEFOKXNHMPYKK-OAHLLOKOSA-N -1 3 421.545 3.363 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CC)cc2)cc1 ZINC000033713929 569351088 /nfs/dbraw/zinc/35/10/88/569351088.db2.gz YLGBTDHZFIIALY-HNNXBMFYSA-N -1 3 406.504 3.180 40 0 HGABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c1 ZINC000107701854 569352868 /nfs/dbraw/zinc/35/28/68/569352868.db2.gz OFSLNYJJYYPPOW-UHFFFAOYSA-N -1 3 402.516 3.496 40 0 HGABHM CC(C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596840 557516482 /nfs/dbraw/zinc/51/64/82/557516482.db2.gz SNMWAFXDEJEXNP-MRXNPFEDSA-N -1 3 415.342 3.408 40 0 HGABHM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1C ZINC000408600864 557521433 /nfs/dbraw/zinc/52/14/33/557521433.db2.gz CWWZHVUVGLKWCV-UHFFFAOYSA-N -1 3 417.314 3.479 40 0 HGABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000408603469 557524100 /nfs/dbraw/zinc/52/41/00/557524100.db2.gz KEZWPSSQSKPEPD-ZDUSSCGKSA-N -1 3 412.458 3.305 40 0 HGABHM CCCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000020104165 558332885 /nfs/dbraw/zinc/33/28/85/558332885.db2.gz VAZKBGSRRHZIGI-UHFFFAOYSA-N -1 3 423.922 3.494 40 0 HGABHM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000020451723 558366076 /nfs/dbraw/zinc/36/60/76/558366076.db2.gz MAMWDWIANGEPSY-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCN3CCCCCC3)c2)cc1 ZINC000013676974 558564887 /nfs/dbraw/zinc/56/48/87/558564887.db2.gz VXPUUUNZCYGOJL-UHFFFAOYSA-N -1 3 415.559 3.402 40 0 HGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000100919583 558805557 /nfs/dbraw/zinc/80/55/57/558805557.db2.gz CSAGVHLTZREPBO-BDTNDASRSA-N -1 3 416.433 3.452 40 0 HGABHM CO[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)C1 ZINC000019240969 558859415 /nfs/dbraw/zinc/85/94/15/558859415.db2.gz WMHKQPFECQSXQT-KNBMTAEXSA-N -1 3 408.502 3.165 40 0 HGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)no2)cc(=O)[n-]1 ZINC000019285145 558859668 /nfs/dbraw/zinc/85/96/68/558859668.db2.gz KCDWENOOFLCCOE-GOSISDBHSA-N -1 3 405.458 3.385 40 0 HGABHM COc1ccc(-c2csc([N-]C(=O)c3cc(-c4cnn(C)c4)on3)n2)cc1OC ZINC000019290767 558863157 /nfs/dbraw/zinc/86/31/57/558863157.db2.gz NTNPFEVJCKWNTK-UHFFFAOYSA-N -1 3 411.443 3.468 40 0 HGABHM O=C(c1cccc(F)c1F)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019292668 558864444 /nfs/dbraw/zinc/86/44/44/558864444.db2.gz AWPGTIGFKXTVQJ-UHFFFAOYSA-N -1 3 402.426 3.191 40 0 HGABHM O=c1cc([C@@H]2CCCN(Cc3c[nH]cc4c(Cl)nnc3-4)C2)nc(-c2ccccn2)[n-]1 ZINC000019402779 558883979 /nfs/dbraw/zinc/88/39/79/558883979.db2.gz QUYBINHGNVMINR-CYBMUJFWSA-N -1 3 421.892 3.136 40 0 HGABHM O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019403702 558884504 /nfs/dbraw/zinc/88/45/04/558884504.db2.gz ATKQOGBBJPNXJG-FQEVSTJZSA-N -1 3 422.533 3.030 40 0 HGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC=CCC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448127 558887119 /nfs/dbraw/zinc/88/71/19/558887119.db2.gz COFFOGMIMXFEFD-GOSISDBHSA-N -1 3 423.561 3.264 40 0 HGABHM CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)[n-]c(=O)n1 ZINC000019452478 558890363 /nfs/dbraw/zinc/89/03/63/558890363.db2.gz GZESUDMIXCLKFO-LJQANCHMSA-N -1 3 419.481 3.378 40 0 HGABHM CCCN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071980320 558916931 /nfs/dbraw/zinc/91/69/31/558916931.db2.gz JGPJHWXOMLVFFH-OAHLLOKOSA-N -1 3 401.290 3.121 40 0 HGABHM CN(C)c1nc2ccccc2cc1CN1CCc2c(nc(-c3ccncc3)[n-]c2=O)C1 ZINC000019584072 558938278 /nfs/dbraw/zinc/93/82/78/558938278.db2.gz UIILFNHWUWBELV-UHFFFAOYSA-N -1 3 412.497 3.004 40 0 HGABHM CNc1ncc(CN2CCC(c3cc(=O)[n-]c(-c4ccc(OC)cc4)n3)CC2)cn1 ZINC000019592380 558943335 /nfs/dbraw/zinc/94/33/35/558943335.db2.gz XXNHCHGSWPFDDC-UHFFFAOYSA-N -1 3 406.490 3.069 40 0 HGABHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)cc1 ZINC000100234243 559132679 /nfs/dbraw/zinc/13/26/79/559132679.db2.gz HXJUBBNJTGNMBX-OAQYLSRUSA-N -1 3 419.529 3.487 40 0 HGABHM CC(C)(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000005624912 560627774 /nfs/dbraw/zinc/62/77/74/560627774.db2.gz GIFUHYXPKOBYOU-INIZCTEOSA-N -1 3 408.506 3.117 40 0 HGABHM CC(C)(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000005624911 560627783 /nfs/dbraw/zinc/62/77/83/560627783.db2.gz CWKNXXKEVBFOJY-UHFFFAOYSA-N -1 3 408.506 3.117 40 0 HGABHM Cc1sc(C(=O)Nc2cc(Cl)ccc2[O-])cc1S(=O)(=O)N1CCCC1 ZINC000006679695 560633682 /nfs/dbraw/zinc/63/36/82/560633682.db2.gz LUTXQWARVPGECF-UHFFFAOYSA-N -1 3 400.909 3.452 40 0 HGABHM COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)[N-]c3cc(C)on3)c2)cc1 ZINC000006681329 560634300 /nfs/dbraw/zinc/63/43/00/560634300.db2.gz CPOUSQKEYXVZET-UHFFFAOYSA-N -1 3 407.473 3.131 40 0 HGABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc(Cl)c1[O-] ZINC000409208672 560691933 /nfs/dbraw/zinc/69/19/33/560691933.db2.gz DLLKMWWCKFXSET-AUWJEWJLSA-N -1 3 412.895 3.253 40 0 HGABHM CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(I)c1[O-] ZINC000409253540 560703744 /nfs/dbraw/zinc/70/37/44/560703744.db2.gz ZMWNANTUVVRMRJ-UWVGGRQHSA-N -1 3 421.300 3.180 40 0 HGABHM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Cl)c1[O-] ZINC000409351886 560713893 /nfs/dbraw/zinc/71/38/93/560713893.db2.gz BKPZGMPTTMEFKC-DHDCSXOGSA-N -1 3 424.906 3.349 40 0 HGABHM CCn1c(SCC(=O)N2CCCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412029 560721750 /nfs/dbraw/zinc/72/17/50/560721750.db2.gz QESZUGCGJOTDOI-UHFFFAOYSA-N -1 3 411.325 3.148 40 0 HGABHM CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)CC1 ZINC000006706764 560745436 /nfs/dbraw/zinc/74/54/36/560745436.db2.gz BRCBEIKBRJZDEL-UHFFFAOYSA-N -1 3 415.559 3.190 40 0 HGABHM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1[O-] ZINC000106757706 560746198 /nfs/dbraw/zinc/74/61/98/560746198.db2.gz JZQRHPNZORFGLS-ZROIWOOFSA-N -1 3 410.879 3.103 40 0 HGABHM CCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000013083509 560792767 /nfs/dbraw/zinc/79/27/67/560792767.db2.gz QVEPCQVEVCRMQF-HNNXBMFYSA-N -1 3 412.469 3.011 40 0 HGABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000222726173 568524851 /nfs/dbraw/zinc/52/48/51/568524851.db2.gz FXDVIKAIYHCZSH-CYBMUJFWSA-N -1 3 402.501 3.138 40 0 HGABHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000223270796 568543583 /nfs/dbraw/zinc/54/35/83/568543583.db2.gz VNGKMSLARMHNNY-UHFFFAOYSA-N -1 3 401.257 3.372 40 0 HGABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1C ZINC000223801745 568559530 /nfs/dbraw/zinc/55/95/30/568559530.db2.gz BAWJZQMYRNHBRP-UHFFFAOYSA-N -1 3 402.241 3.484 40 0 HGABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)ccc1C ZINC000223824974 568559995 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403.442 3.140 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1C ZINC000040399617 525220243 /nfs/dbraw/zinc/22/02/43/525220243.db2.gz CHBWCLVXTCLHMA-INIZCTEOSA-N -1 3 421.432 3.334 40 0 HGABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1nccs1 ZINC000408544414 557361412 /nfs/dbraw/zinc/36/14/12/557361412.db2.gz IOKQOUDQURWASD-UHFFFAOYSA-N -1 3 412.294 3.127 40 0 HGABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1nccs1 ZINC000408544414 557361414 /nfs/dbraw/zinc/36/14/14/557361414.db2.gz IOKQOUDQURWASD-UHFFFAOYSA-N -1 3 412.294 3.127 40 0 HGABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000004140188 557519246 /nfs/dbraw/zinc/51/92/46/557519246.db2.gz CAKLGVMOEACNNO-HKBOAZHASA-N -1 3 401.422 3.141 40 0 HGABHM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408635698 557603638 /nfs/dbraw/zinc/60/36/38/557603638.db2.gz HKOFZJHIMWGUMC-UHFFFAOYSA-N -1 3 412.895 3.054 40 0 HGABHM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)CC)cc1 ZINC000408700527 557718480 /nfs/dbraw/zinc/71/84/80/557718480.db2.gz HMICSOIVLOHRSN-UHFFFAOYSA-N -1 3 403.504 3.183 40 0 HGABHM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)CC)cc1 ZINC000019886494 558302076 /nfs/dbraw/zinc/30/20/76/558302076.db2.gz WMOKJWDHWWWWFS-CQSZACIVSA-N -1 3 403.504 3.229 40 0 HGABHM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c(C)c1 ZINC000019932482 558310741 /nfs/dbraw/zinc/31/07/41/558310741.db2.gz ICWDKYYYAPUWMK-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000019936781 558312274 /nfs/dbraw/zinc/31/22/74/558312274.db2.gz LGANLAVGAMXJHZ-UHFFFAOYSA-N -1 3 415.240 3.317 40 0 HGABHM COc1cccc(CC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1 ZINC000012256380 558362670 /nfs/dbraw/zinc/36/26/70/558362670.db2.gz KINMMRLFYGUOCL-UHFFFAOYSA-N -1 3 404.470 3.202 40 0 HGABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCN3CCCCC3)c2C)cc1 ZINC000013679942 558566054 /nfs/dbraw/zinc/56/60/54/558566054.db2.gz UDKRHVUOMJNCHI-UHFFFAOYSA-N -1 3 415.559 3.320 40 0 HGABHM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000030755410 558736917 /nfs/dbraw/zinc/73/69/17/558736917.db2.gz QMLZUNBGQQFLLY-UHFFFAOYSA-N -1 3 409.895 3.102 40 0 HGABHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000035314044 558789942 /nfs/dbraw/zinc/78/99/42/558789942.db2.gz TWVKLODQSQVMAC-NSHDSACASA-N -1 3 400.485 3.453 40 0 HGABHM C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000019077682 558838510 /nfs/dbraw/zinc/83/85/10/558838510.db2.gz IDVXEYXWPSKWCF-GOEBONIOSA-N -1 3 408.433 3.167 40 0 HGABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N[C@H](C)c4ccccn4)n3)CC2=O)c1C ZINC000019235566 558854603 /nfs/dbraw/zinc/85/46/03/558854603.db2.gz VGYPDBKCIBRWRJ-IAGOWNOFSA-N -1 3 403.486 3.475 40 0 HGABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N[C@@H](C)c4ccccn4)n3)CC2=O)c1C ZINC000019235567 558854653 /nfs/dbraw/zinc/85/46/53/558854653.db2.gz VGYPDBKCIBRWRJ-DLBZAZTESA-N -1 3 403.486 3.475 40 0 HGABHM COc1cccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019240992 558859577 /nfs/dbraw/zinc/85/95/77/558859577.db2.gz JCORZYFDWCUEOW-OAQYLSRUSA-N -1 3 416.481 3.211 40 0 HGABHM COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285298 558859710 /nfs/dbraw/zinc/85/97/10/558859710.db2.gz GRFCWMWNUJDKPI-HXUWFJFHSA-N -1 3 411.889 3.383 40 0 HGABHM CC(=O)Nc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285324 558859792 /nfs/dbraw/zinc/85/97/92/558859792.db2.gz HEUTZKSMVGGXRW-HXUWFJFHSA-N -1 3 424.888 3.404 40 0 HGABHM COc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c1 ZINC000019448347 558887372 /nfs/dbraw/zinc/88/73/72/558887372.db2.gz RJQRWQPPNFNZQI-NRFANRHFSA-N -1 3 424.545 3.254 40 0 HGABHM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019463385 558894321 /nfs/dbraw/zinc/89/43/21/558894321.db2.gz KGTBTABUXNEZMY-UCLAIMLFSA-N -1 3 412.559 3.099 40 0 HGABHM CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019499772 558897881 /nfs/dbraw/zinc/89/78/81/558897881.db2.gz YHSFSNKPAFHTEL-AEFFLSMTSA-N -1 3 424.545 3.111 40 0 HGABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1Cl ZINC000071980567 558917421 /nfs/dbraw/zinc/91/74/21/558917421.db2.gz XXTFNKVCSFSVPG-LJQANCHMSA-N -1 3 414.889 3.258 40 0 HGABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 ZINC000071980574 558917424 /nfs/dbraw/zinc/91/74/24/558917424.db2.gz IDEXTLXKDKYQPL-IBGZPJMESA-N -1 3 414.889 3.258 40 0 HGABHM COc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccc(F)cc2)cn1 ZINC000019561889 558922801 /nfs/dbraw/zinc/92/28/01/558922801.db2.gz VJKRFWVXUGVESH-LJQANCHMSA-N -1 3 422.460 3.294 40 0 HGABHM COc1ccc(CC(=O)N[C@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C(C)C)cc1C ZINC000019571236 558929904 /nfs/dbraw/zinc/92/99/04/558929904.db2.gz MGHJTYXFUXTLBC-QFIPXVFZSA-N -1 3 406.486 3.205 40 0 HGABHM Cc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(F)cc1 ZINC000019580199 558935758 /nfs/dbraw/zinc/93/57/58/558935758.db2.gz YMQPHZAPJMOWBO-GOSISDBHSA-N -1 3 410.449 3.495 40 0 HGABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Br)o2)C3)CC1 ZINC000072335471 558936406 /nfs/dbraw/zinc/93/64/06/558936406.db2.gz CGVNGYNDJHOFMM-UHFFFAOYSA-N -1 3 407.312 3.332 40 0 HGABHM COc1ccc2[nH]c(CN3CCc4c(nc(N5CCC[C@H](C)C5)[n-]c4=O)C3)c(C)c2c1 ZINC000072335628 558936757 /nfs/dbraw/zinc/93/67/57/558936757.db2.gz CXEFOKXNHMPYKK-HNNXBMFYSA-N -1 3 421.545 3.363 40 0 HGABHM COCc1ccc(OC)c(CN2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)c1 ZINC000019594335 558945124 /nfs/dbraw/zinc/94/51/24/558945124.db2.gz AXNBWOVSYPLYFV-UHFFFAOYSA-N -1 3 421.501 3.174 40 0 HGABHM COc1cccc([C@@H]2c3ccccc3CCN2CC(=O)Nc2nc(C)cc(=O)[n-]2)c1 ZINC000019716009 558977569 /nfs/dbraw/zinc/97/75/69/558977569.db2.gz GDELFNHCLXXVSX-JOCHJYFZSA-N -1 3 404.470 3.085 40 0 HGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000095351588 559079676 /nfs/dbraw/zinc/07/96/76/559079676.db2.gz CAKLGVMOEACNNO-ACRUOGEOSA-N -1 3 401.422 3.141 40 0 HGABHM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000409194007 560689873 /nfs/dbraw/zinc/68/98/73/560689873.db2.gz KFSXZVUUPSNAKK-RIYZIHGNSA-N -1 3 403.232 3.256 40 0 HGABHM CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OCC)c2)C1=O ZINC000409212882 560695877 /nfs/dbraw/zinc/69/58/77/560695877.db2.gz RWAXBVIBVBLPSQ-ZROIWOOFSA-N -1 3 412.895 3.397 40 0 HGABHM COCCCN1C(=O)S/C(=C/c2ccc([O-])c(I)c2)C1=O ZINC000409252557 560703601 /nfs/dbraw/zinc/70/36/01/560703601.db2.gz SQTYRYKLXVZANQ-XYOKQWHBSA-N -1 3 419.240 3.070 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000007361312 560750427 /nfs/dbraw/zinc/75/04/27/560750427.db2.gz QSUXSWWGRMZXAR-UHFFFAOYSA-N -1 3 404.488 3.131 40 0 HGABHM COC(=O)c1cc([N-]C(=O)c2c(F)c(F)c(OC)c(F)c2F)cc(C(=O)OC)c1 ZINC000017090219 560865066 /nfs/dbraw/zinc/86/50/66/560865066.db2.gz IBDPAYGBUBETIF-UHFFFAOYSA-N -1 3 415.295 3.077 40 0 HGABHM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000222925215 568531112 /nfs/dbraw/zinc/53/11/12/568531112.db2.gz OWMXTZLMBCIEBL-LLVKDONJSA-N -1 3 412.895 3.220 40 0 HGABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000222943016 568531882 /nfs/dbraw/zinc/53/18/82/568531882.db2.gz KXJUQGOPGORDJB-UHFFFAOYSA-N -1 3 416.499 3.274 40 0 HGABHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000223641183 568554600 /nfs/dbraw/zinc/55/46/00/568554600.db2.gz UGUHBPDLORQLDL-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)c1 ZINC000223773222 568558657 /nfs/dbraw/zinc/55/86/57/568558657.db2.gz CTKZMWIFGGHMGA-UHFFFAOYSA-N -1 3 417.487 3.356 40 0 HGABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1OC ZINC000223783771 568558928 /nfs/dbraw/zinc/55/89/28/568558928.db2.gz FQCHSILBILBYKB-UHFFFAOYSA-N -1 3 404.488 3.177 40 0 HGABHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223839558 568560436 /nfs/dbraw/zinc/56/04/36/568560436.db2.gz VJKQKPWTRXXFSL-UHFFFAOYSA-N -1 3 418.515 3.055 40 0 HGABHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3)cc2sc1=O ZINC000224939305 568604869 /nfs/dbraw/zinc/60/48/69/568604869.db2.gz WFTWTKVCQMLLGB-UHFFFAOYSA-N -1 3 403.529 3.484 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1 ZINC000226084816 568693394 /nfs/dbraw/zinc/69/33/94/568693394.db2.gz JHYQZXGCIVPOES-UHFFFAOYSA-N -1 3 406.504 3.037 40 0 HGABHM CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(I)c1[O-] ZINC000006605884 569333801 /nfs/dbraw/zinc/33/38/01/569333801.db2.gz ANSUUSJTLPCOKP-UHFFFAOYSA-N -1 3 408.195 3.299 40 0 HGABHM CCOc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007066359 569336720 /nfs/dbraw/zinc/33/67/20/569336720.db2.gz XIHOVWGCRULOEP-UHFFFAOYSA-N -1 3 403.287 3.309 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCC(C)CC1 ZINC000007361768 569337368 /nfs/dbraw/zinc/33/73/68/569337368.db2.gz PSIMUNMGPJOJSW-UHFFFAOYSA-N -1 3 402.516 3.433 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(C)c2)cc1 ZINC000007361941 569337418 /nfs/dbraw/zinc/33/74/18/569337418.db2.gz DPQLNYRHRIOQET-UHFFFAOYSA-N -1 3 420.531 3.346 40 0 HGABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 ZINC000033713331 569351064 /nfs/dbraw/zinc/35/10/64/569351064.db2.gz VGZMTZMDGQUPMB-UHFFFAOYSA-N -1 3 410.495 3.491 40 0 HGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c1 ZINC000040399170 524435085 /nfs/dbraw/zinc/43/50/85/524435085.db2.gz FSCIQGVRGQJIOL-INIZCTEOSA-N -1 3 403.442 3.195 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000040399172 525218960 /nfs/dbraw/zinc/21/89/60/525218960.db2.gz BBWHGYGMCCJEBJ-HNNXBMFYSA-N -1 3 403.442 3.195 40 0 HGABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000040400369 525330169 /nfs/dbraw/zinc/33/01/69/525330169.db2.gz XXRWOOLWIXWLAH-OAHLLOKOSA-N -1 3 403.442 3.195 40 0 HGABHM COc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(Br)c1[O-] ZINC000000819286 557091772 /nfs/dbraw/zinc/09/17/72/557091772.db2.gz RGNSKDMORYXKBZ-UHFFFAOYSA-N -1 3 411.340 3.434 40 0 HGABHM CC1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000408534009 557319372 /nfs/dbraw/zinc/31/93/72/557319372.db2.gz SAMMGHPBRGKINL-UHFFFAOYSA-N -1 3 406.479 3.264 40 0 HGABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1OC ZINC000408587229 557493865 /nfs/dbraw/zinc/49/38/65/557493865.db2.gz SLFFHFCUBXHVLS-UHFFFAOYSA-N -1 3 407.448 3.023 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(Cl)c2)cc1 ZINC000408595001 557512500 /nfs/dbraw/zinc/51/25/00/557512500.db2.gz RPHHEXKSPOSOFL-UHFFFAOYSA-N -1 3 408.907 3.450 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NC1CCCCCCC1 ZINC000408611776 557529654 /nfs/dbraw/zinc/52/96/54/557529654.db2.gz WJZNLMDJBJLZKH-ZDUSSCGKSA-N -1 3 402.944 3.245 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000408678759 557687251 /nfs/dbraw/zinc/68/72/51/557687251.db2.gz VCRAAZULUYBELK-UHFFFAOYSA-N -1 3 406.479 3.326 40 0 HGABHM CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccc(C2CCCCC2)cc1 ZINC000006462589 557703846 /nfs/dbraw/zinc/70/38/46/557703846.db2.gz YEHCXVDHMGSNAP-UHFFFAOYSA-N -1 3 402.524 3.023 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1 ZINC000006706675 557716555 /nfs/dbraw/zinc/71/65/55/557716555.db2.gz VACPZWFUGFXAIE-UHFFFAOYSA-N -1 3 418.515 3.133 40 0 HGABHM CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009336 558318952 /nfs/dbraw/zinc/31/89/52/558318952.db2.gz QSTWBWRHQWTXPZ-PBHICJAKSA-N -1 3 424.950 3.153 40 0 HGABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4ccncc4)cc(=O)[n-]3)CC2)cc1 ZINC000012256606 558362690 /nfs/dbraw/zinc/36/26/90/558362690.db2.gz WVWSBTISGHHCHD-UHFFFAOYSA-N -1 3 404.470 3.202 40 0 HGABHM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020460608 558372648 /nfs/dbraw/zinc/37/26/48/558372648.db2.gz FMRFCVKYDNRPJC-UHFFFAOYSA-N -1 3 423.922 3.494 40 0 HGABHM O=C(NCc1ccccn1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020484960 558376185 /nfs/dbraw/zinc/37/61/85/558376185.db2.gz PSPZCFHVFQUMTR-UHFFFAOYSA-N -1 3 401.875 3.466 40 0 HGABHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000028196558 558692333 /nfs/dbraw/zinc/69/23/33/558692333.db2.gz MVBGEZSBXBVQAB-UHFFFAOYSA-N -1 3 402.241 3.484 40 0 HGABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000030865977 558742428 /nfs/dbraw/zinc/74/24/28/558742428.db2.gz KRFOSSZIRMDVAZ-UHFFFAOYSA-N -1 3 418.906 3.136 40 0 HGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2cccc(F)c2)cc(=O)[n-]1 ZINC000019240976 558859355 /nfs/dbraw/zinc/85/93/55/558859355.db2.gz ZBYGXEOOUJGKHC-HXUWFJFHSA-N -1 3 420.444 3.178 40 0 HGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2cccc(F)c2)cc(=O)[n-]1 ZINC000019240977 558859377 /nfs/dbraw/zinc/85/93/77/558859377.db2.gz ZBYGXEOOUJGKHC-FQEVSTJZSA-N -1 3 420.444 3.178 40 0 HGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cc(F)ccc2F)cc(=O)[n-]1 ZINC000019240983 558859557 /nfs/dbraw/zinc/85/95/57/558859557.db2.gz OWOOSSXGHPTMIJ-FQEVSTJZSA-N 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ZINC000409389661 560720525 /nfs/dbraw/zinc/72/05/25/560720525.db2.gz IBAYDFCEJLFZQX-SNVBAGLBSA-N -1 3 403.287 3.308 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1I ZINC000006553295 560744088 /nfs/dbraw/zinc/74/40/88/560744088.db2.gz VEOLEZZIHNEQCA-UHFFFAOYSA-N -1 3 403.241 3.409 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000108062394 560752323 /nfs/dbraw/zinc/75/23/23/560752323.db2.gz BTDBEBVHDNRXEA-UHFFFAOYSA-N -1 3 419.240 3.109 40 0 HGABHM Cc1ccc(Cl)cc1NC(=O)CSc1nnc2[n-]c(=O)c(C(C)(C)C)nn21 ZINC000005144295 568440979 /nfs/dbraw/zinc/44/09/79/568440979.db2.gz LXPJLSFSRJKZCL-UHFFFAOYSA-N -1 3 406.899 3.215 40 0 HGABHM Cc1ccc(C)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000223589361 568552474 /nfs/dbraw/zinc/55/24/74/568552474.db2.gz TVORCXLISVSQQV-CQSZACIVSA-N -1 3 416.528 3.447 40 0 HGABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(CC)c3)n2)cc1 ZINC000223622215 568553586 /nfs/dbraw/zinc/55/35/86/568553586.db2.gz XVLFCVZMZBHHMU-UHFFFAOYSA-N -1 3 417.487 3.185 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1Cl ZINC000224411856 568580550 /nfs/dbraw/zinc/58/05/50/568580550.db2.gz INGCJYDUHSSANP-UHFFFAOYSA-N -1 3 403.287 3.174 40 0 HGABHM CCc1ccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000225166380 568619845 /nfs/dbraw/zinc/61/98/45/568619845.db2.gz QQOWLHBZXSQIFG-UHFFFAOYSA-N -1 3 414.321 3.377 40 0 HGABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)C[C@@H]4C)c2)n1 ZINC000226093948 568693928 /nfs/dbraw/zinc/69/39/28/568693928.db2.gz CCOBRIVLUDQTCU-AWEZNQCLSA-N -1 3 412.449 3.430 40 0 HGABHM C[C@]1(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)CN(c2ccccc2)C(=O)CO1 ZINC000257297287 568803608 /nfs/dbraw/zinc/80/36/08/568803608.db2.gz RGQVRJWWXWEQTA-XMMPIXPASA-N -1 3 408.498 3.419 40 0 HGABHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(I)c2)N1 ZINC000003173947 568859671 /nfs/dbraw/zinc/85/96/71/568859671.db2.gz PUGCTTMHYQKTNT-HZPDHXFCSA-N -1 3 418.234 3.461 40 0 HGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1 ZINC000253578406 569318065 /nfs/dbraw/zinc/31/80/65/569318065.db2.gz YHFAZMJRHXMLJW-ZBFHGGJFSA-N -1 3 409.490 3.242 40 0 HGABHM CO[C@@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)C1 ZINC000019240968 569345356 /nfs/dbraw/zinc/34/53/56/569345356.db2.gz WMHKQPFECQSXQT-VPWXQRGCSA-N -1 3 408.502 3.165 40 0 HGABHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000059417607 569352372 /nfs/dbraw/zinc/35/23/72/569352372.db2.gz UHHKKMQRMXBOJT-UHFFFAOYSA-N -1 3 419.553 3.349 40 0 HGABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399635 521900375 /nfs/dbraw/zinc/90/03/75/521900375.db2.gz BVDWJMOQOADJSK-OAHLLOKOSA-N -1 3 421.432 3.280 40 0 HGABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[n-]c(=O)c21 ZINC000040390570 521902585 /nfs/dbraw/zinc/90/25/85/521902585.db2.gz UIRUGOZPXRSKLF-HOTGVXAUSA-N -1 3 423.517 3.166 40 0 HGABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399613 525263032 /nfs/dbraw/zinc/26/30/32/525263032.db2.gz QQYGSLAGMVUJJY-AWEZNQCLSA-N -1 3 407.405 3.026 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000020009325 558318753 /nfs/dbraw/zinc/31/87/53/558318753.db2.gz ACRFUXJXLUCOOX-KRWDZBQOSA-N -1 3 424.950 3.010 40 0 HGABHM COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c1 ZINC000020106406 558333483 /nfs/dbraw/zinc/33/34/83/558333483.db2.gz OTXAFCPHZZACSG-UHFFFAOYSA-N -1 3 417.270 3.404 40 0 HGABHM CCOC(=O)c1ccc(C)c(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c1 ZINC000020456097 558369789 /nfs/dbraw/zinc/36/97/89/558369789.db2.gz SWKPXQYSSQINJI-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020489734 558377488 /nfs/dbraw/zinc/37/74/88/558377488.db2.gz CFLHAOQOMYHBBS-UHFFFAOYSA-N -1 3 418.906 3.136 40 0 HGABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000022257058 558474437 /nfs/dbraw/zinc/47/44/37/558474437.db2.gz VKCPTQWOTPMTBG-UHFFFAOYSA-N -1 3 417.487 3.356 40 0 HGABHM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000038773015 558815610 /nfs/dbraw/zinc/81/56/10/558815610.db2.gz LAOBXLXSEJVPMR-UHFFFAOYSA-N -1 3 423.922 3.494 40 0 HGABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081057 558839214 /nfs/dbraw/zinc/83/92/14/558839214.db2.gz BKXHXTIWEHNAFO-QGZVFWFLSA-N -1 3 424.545 3.111 40 0 HGABHM Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000019083758 558840571 /nfs/dbraw/zinc/84/05/71/558840571.db2.gz FMVWMUNFAWVCRZ-MRXNPFEDSA-N -1 3 406.490 3.253 40 0 HGABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000013645544 558850473 /nfs/dbraw/zinc/85/04/73/558850473.db2.gz CSAGVHLTZREPBO-FSSWDIPSSA-N -1 3 416.433 3.452 40 0 HGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019240986 558859515 /nfs/dbraw/zinc/85/95/15/558859515.db2.gz JYFSLOZFHHPGLN-HXUWFJFHSA-N -1 3 404.445 3.341 40 0 HGABHM O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019337524 558870682 /nfs/dbraw/zinc/87/06/82/558870682.db2.gz KNSJETDJLREJPW-OAQYLSRUSA-N -1 3 421.545 3.493 40 0 HGABHM O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019345623 558873142 /nfs/dbraw/zinc/87/31/42/558873142.db2.gz IOAOTKAARUDOEP-UHFFFAOYSA-N -1 3 423.494 3.176 40 0 HGABHM O=C(CN1CCCCCC1)N[C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369319 558877740 /nfs/dbraw/zinc/87/77/40/558877740.db2.gz VJONDQWVBAOWEK-OAQYLSRUSA-N -1 3 408.546 3.313 40 0 HGABHM CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019501319 558899241 /nfs/dbraw/zinc/89/92/41/558899241.db2.gz BURUEWBWZCTNMV-HNNXBMFYSA-N -1 3 400.548 3.308 40 0 HGABHM Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)s1 ZINC000019560128 558921157 /nfs/dbraw/zinc/92/11/57/558921157.db2.gz DBQXNMQKOYMEFT-QGZVFWFLSA-N -1 3 415.563 3.389 40 0 HGABHM COc1ccccc1CC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019569511 558928566 /nfs/dbraw/zinc/92/85/66/558928566.db2.gz DTCIZICYILUDEI-UHFFFAOYSA-N -1 3 409.511 3.456 40 0 HGABHM CC(C)c1ccc(NC(=O)CN2CCC(Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)cc1 ZINC000072341832 558940042 /nfs/dbraw/zinc/94/00/42/558940042.db2.gz FBOMKQHTCJZTJS-UHFFFAOYSA-N -1 3 423.561 3.287 40 0 HGABHM CNc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4ccc(Cl)cc4)n3)C2)cn1 ZINC000019592381 558943224 /nfs/dbraw/zinc/94/32/24/558943224.db2.gz RDRVMKKSROLQGO-MRXNPFEDSA-N -1 3 410.909 3.302 40 0 HGABHM CCc1nnc([N-]c2cccc([C@@H]3CCCN(CC(=O)N(CC)CC)C3)n2)s1 ZINC000072375939 558965039 /nfs/dbraw/zinc/96/50/39/558965039.db2.gz NKXRQXYLJZWYLE-OAHLLOKOSA-N -1 3 402.568 3.287 40 0 HGABHM CCc1nnc([N-]c2cccc([C@H]3CCCN(CC(=O)N(CC)CC)C3)n2)s1 ZINC000072375940 558965195 /nfs/dbraw/zinc/96/51/95/558965195.db2.gz NKXRQXYLJZWYLE-HNNXBMFYSA-N -1 3 402.568 3.287 40 0 HGABHM Cc1nnc([N-]c2cccc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)n2)s1 ZINC000072376138 558965360 /nfs/dbraw/zinc/96/53/60/558965360.db2.gz MVXABIXBJIAYQE-UHFFFAOYSA-N -1 3 414.579 3.423 40 0 HGABHM Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1C ZINC000072379947 558968058 /nfs/dbraw/zinc/96/80/58/558968058.db2.gz DIOCAAKEWOKBOC-KRWDZBQOSA-N -1 3 424.530 3.195 40 0 HGABHM C[C@@H](c1cc(=O)[n-]c(NCc2ccccc2Cl)n1)n1ncc2ccccc2c1=O ZINC000019717502 558980120 /nfs/dbraw/zinc/98/01/20/558980120.db2.gz QLPMOEXKJXQBGQ-ZDUSSCGKSA-N -1 3 407.861 3.355 40 0 HGABHM COc1cc(C(=O)[N-]n2c(CC(C)C)nc3ccccc3c2=O)cc(OC)c1OC ZINC000004891121 560615285 /nfs/dbraw/zinc/61/52/85/560615285.db2.gz ZAJNUXUVLGVLHA-UHFFFAOYSA-N -1 3 411.458 3.005 40 0 HGABHM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc(Cl)c1[O-] ZINC000409212786 560695872 /nfs/dbraw/zinc/69/58/72/560695872.db2.gz QNBVTUILHXFYSW-GPILYODUSA-N -1 3 424.906 3.492 40 0 HGABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000006023946 560739298 /nfs/dbraw/zinc/73/92/98/560739298.db2.gz NPFVUGBYKNOOHG-UHFFFAOYSA-N -1 3 406.504 3.181 40 0 HGABHM 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CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408606385 557518358 /nfs/dbraw/zinc/51/83/58/557518358.db2.gz PDBSHZUMDIARTO-OAHLLOKOSA-N -1 3 406.504 3.178 40 0 HGABHM CCOc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408617494 557544100 /nfs/dbraw/zinc/54/41/00/557544100.db2.gz DAERFPHXMMJPJZ-GFCCVEGCSA-N -1 3 412.895 3.053 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(C)cc1 ZINC000007215801 557737090 /nfs/dbraw/zinc/73/70/90/557737090.db2.gz NEIZRSQBFPXNCT-UHFFFAOYSA-N -1 3 400.294 3.123 40 0 HGABHM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000408722197 557769487 /nfs/dbraw/zinc/76/94/87/557769487.db2.gz RHTYDDKLTUNLIP-UHFFFAOYSA-N -1 3 421.478 3.354 40 0 HGABHM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)CC)cc1 ZINC000019886517 558302184 /nfs/dbraw/zinc/30/21/84/558302184.db2.gz LDJITMALRLBLLO-UHFFFAOYSA-N -1 3 403.504 3.230 40 0 HGABHM CCOC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937655 558312553 /nfs/dbraw/zinc/31/25/53/558312553.db2.gz GSERRYWQZKDWQV-UHFFFAOYSA-N -1 3 411.845 3.448 40 0 HGABHM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1C ZINC000020042593 558326280 /nfs/dbraw/zinc/32/62/80/558326280.db2.gz DMYHHNFRPXDIBG-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM Cc1nc(NC2CCN(C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)[n-]c(=O)c1C ZINC000012113682 558327092 /nfs/dbraw/zinc/32/70/92/558327092.db2.gz GAMNIWNHTNDVTR-UHFFFAOYSA-N -1 3 402.926 3.421 40 0 HGABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000012143862 558335664 /nfs/dbraw/zinc/33/56/64/558335664.db2.gz BZLGTGXVLSGESJ-IBGZPJMESA-N -1 3 416.499 3.172 40 0 HGABHM Cc1ccc(C(=O)NCCN2CCCCCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013678949 558565571 /nfs/dbraw/zinc/56/55/71/558565571.db2.gz FJVLBURKQPTVTP-UHFFFAOYSA-N -1 3 415.559 3.402 40 0 HGABHM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCN1CCCCC1 ZINC000013682520 558567525 /nfs/dbraw/zinc/56/75/25/558567525.db2.gz GTOVXBHJFQIIOP-UHFFFAOYSA-N -1 3 401.532 3.012 40 0 HGABHM CC(C)CNC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000038753437 558813925 /nfs/dbraw/zinc/81/39/25/558813925.db2.gz GXIWKAWQEGETHZ-UHFFFAOYSA-N -1 3 423.922 3.350 40 0 HGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828376 558815970 /nfs/dbraw/zinc/81/59/70/558815970.db2.gz ICZUEABKUWZZRA-ZQIUZPCESA-N -1 3 423.517 3.164 40 0 HGABHM COc1cccc([C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2)c1 ZINC000019022983 558838177 /nfs/dbraw/zinc/83/81/77/558838177.db2.gz SQDRSAYMNPPIOK-SFHVURJKSA-N -1 3 417.512 3.178 40 0 HGABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081060 558839235 /nfs/dbraw/zinc/83/92/35/558839235.db2.gz BKXHXTIWEHNAFO-KRWDZBQOSA-N -1 3 424.545 3.111 40 0 HGABHM Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)cc1 ZINC000019135256 558845895 /nfs/dbraw/zinc/84/58/95/558845895.db2.gz NBXUYSNTFSOESZ-NRFANRHFSA-N -1 3 419.529 3.487 40 0 HGABHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019135392 558846165 /nfs/dbraw/zinc/84/61/65/558846165.db2.gz OBIOWJSKRRUEJI-FQEVSTJZSA-N -1 3 420.513 3.153 40 0 HGABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000019341186 558871861 /nfs/dbraw/zinc/87/18/61/558871861.db2.gz RDBCHOQYNMNQKF-UHFFFAOYSA-N -1 3 416.403 3.331 40 0 HGABHM O=C(Cc1ccccc1)N[C@@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccc(F)cc1 ZINC000019370328 558878408 /nfs/dbraw/zinc/87/84/08/558878408.db2.gz PQZRMHSQQPTWFW-NRFANRHFSA-N -1 3 420.488 3.152 40 0 HGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)[n-]n3c(=O)c2C1 ZINC000019448073 558886792 /nfs/dbraw/zinc/88/67/92/558886792.db2.gz PNBRZUJYFZQURQ-QGZVFWFLSA-N -1 3 411.550 3.098 40 0 HGABHM CCCc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)no1 ZINC000019525342 558906763 /nfs/dbraw/zinc/90/67/63/558906763.db2.gz AEKPLOYCTUMCRT-IBGZPJMESA-N -1 3 413.522 3.257 40 0 HGABHM CCOc1ncccc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019531532 558912102 /nfs/dbraw/zinc/91/21/02/558912102.db2.gz WZGHFAONYNZMNT-SFHVURJKSA-N -1 3 412.877 3.239 40 0 HGABHM CCOc1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)ccc1O ZINC000072393227 558972737 /nfs/dbraw/zinc/97/27/37/558972737.db2.gz VRWUACIMVQENBK-QGZVFWFLSA-N -1 3 406.486 3.316 40 0 HGABHM O=C1N/C(=C\c2ccc([O-])c(I)c2)C(=O)N1C1CCCCC1 ZINC000409088160 560674990 /nfs/dbraw/zinc/67/49/90/560674990.db2.gz DYCMXGGKNFELQT-LCYFTJDESA-N -1 3 412.227 3.222 40 0 HGABHM COc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000409172449 560686689 /nfs/dbraw/zinc/68/66/89/560686689.db2.gz IIOGXSAXSXUTRE-UHFFFAOYSA-N -1 3 402.406 3.410 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1C ZINC000409387419 560720009 /nfs/dbraw/zinc/72/00/09/560720009.db2.gz QDSJUSXDQHNHHM-UHFFFAOYSA-N -1 3 414.483 3.392 40 0 HGABHM CCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[n-]2)CC1 ZINC000013083124 560792526 /nfs/dbraw/zinc/79/25/26/560792526.db2.gz LIKBCTISZVQOHG-UHFFFAOYSA-N -1 3 408.506 3.180 40 0 HGABHM CCC(CC)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[n-]2)C1 ZINC000013083380 560792537 /nfs/dbraw/zinc/79/25/37/560792537.db2.gz GOSSOKAXCZEJBT-SFHVURJKSA-N -1 3 422.533 3.426 40 0 HGABHM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000216461376 568465587 /nfs/dbraw/zinc/46/55/87/568465587.db2.gz OUWHHLFKAXOLSL-UHFFFAOYSA-N -1 3 410.923 3.473 40 0 HGABHM COc1ccc(CCNc2c(-c3ccc(O)cc3[O-])nc3cnccn32)cc1OC ZINC000057721454 568496111 /nfs/dbraw/zinc/49/61/11/568496111.db2.gz ILWRMIDWAJEGJV-UHFFFAOYSA-N -1 3 406.442 3.479 40 0 HGABHM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000222728830 568524875 /nfs/dbraw/zinc/52/48/75/568524875.db2.gz NREYYJDZOSETKH-CYBMUJFWSA-N -1 3 402.501 3.138 40 0 HGABHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000223652765 568555007 /nfs/dbraw/zinc/55/50/07/568555007.db2.gz LKCNLKBJJPBOCO-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(C)cc3C)n2)c(OC)c1 ZINC000223758682 568558365 /nfs/dbraw/zinc/55/83/65/568558365.db2.gz PXDVREAUFLEPDK-UHFFFAOYSA-N -1 3 417.487 3.158 40 0 HGABHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)cc2sc1=O ZINC000224980986 568607263 /nfs/dbraw/zinc/60/72/63/568607263.db2.gz QWFQVXUSJGIZNJ-UHFFFAOYSA-N -1 3 403.529 3.391 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c(Cl)c1Cl ZINC000225248651 568625672 /nfs/dbraw/zinc/62/56/72/568625672.db2.gz DWUCMEFMYQMDSW-JTQLQIEISA-N -1 3 404.271 3.120 40 0 HGABHM CCOc1cc([C@@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1OC ZINC000095534423 568635816 /nfs/dbraw/zinc/63/58/16/568635816.db2.gz LEAMCMLSQLKFQQ-MRXNPFEDSA-N -1 3 419.279 3.395 40 0 HGABHM COc1cc2c(cc1CN1CCO[C@@H](c3cncc([N-]c4ncccn4)n3)C1)CCC2 ZINC000257343897 568817284 /nfs/dbraw/zinc/81/72/84/568817284.db2.gz ZUULMRJQUVRHAF-OAQYLSRUSA-N -1 3 418.501 3.081 40 0 HGABHM Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(Cc1ccc([O-])c(F)c1)CCO2 ZINC000306142697 568904550 /nfs/dbraw/zinc/90/45/50/568904550.db2.gz XGPAYDPXDQCLND-RXVVDRJESA-N -1 3 419.522 3.240 40 0 HGABHM CN(C)CCNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(C(F)(F)F)n1 ZINC000329053935 568974673 /nfs/dbraw/zinc/97/46/73/568974673.db2.gz VIJBSORHHUPWIF-UHFFFAOYSA-N -1 3 410.227 3.069 40 0 HGABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)[n-]c(=O)c2C1 ZINC000253599073 569318383 /nfs/dbraw/zinc/31/83/83/569318383.db2.gz KPUFZVQSVZKBBN-RKVPGOIHSA-N -1 3 412.559 3.430 40 0 HGABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000007361937 569337346 /nfs/dbraw/zinc/33/73/46/569337346.db2.gz GWUPCESLFFWFPP-UHFFFAOYSA-N -1 3 420.531 3.490 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccccc1 ZINC000007361685 569337376 /nfs/dbraw/zinc/33/73/76/569337376.db2.gz CWBXPMRTBBSVDW-UHFFFAOYSA-N -1 3 410.495 3.491 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000139076284 569354413 /nfs/dbraw/zinc/35/44/13/569354413.db2.gz YKORAJWGZXCCHQ-WMLDXEAASA-N -1 3 423.517 3.194 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000040390576 523181208 /nfs/dbraw/zinc/18/12/08/523181208.db2.gz YTAPRQJTJUGENL-SJORKVTESA-N -1 3 423.517 3.220 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1C ZINC000040399615 525199672 /nfs/dbraw/zinc/19/96/72/525199672.db2.gz CHBWCLVXTCLHMA-MRXNPFEDSA-N -1 3 421.432 3.334 40 0 HGABHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399337 527395273 /nfs/dbraw/zinc/39/52/73/527395273.db2.gz PCZHVMFSUDHOAR-CQSZACIVSA-N -1 3 409.833 3.231 40 0 HGABHM CC(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562466 557460847 /nfs/dbraw/zinc/46/08/47/557460847.db2.gz PUYKAWAEUOLZMF-UHFFFAOYSA-N -1 3 414.886 3.431 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1Cl ZINC000019934594 558311522 /nfs/dbraw/zinc/31/15/22/558311522.db2.gz QKPZKLXKUFKMOJ-UHFFFAOYSA-N -1 3 410.879 3.285 40 0 HGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000020062748 558329805 /nfs/dbraw/zinc/32/98/05/558329805.db2.gz MZIPPOWRUKZLJU-UHFFFAOYSA-N -1 3 403.504 3.229 40 0 HGABHM CCc1c(C)nc2cc([C@@H]3CCN(Cc4cc(COC)ccc4OC)C3)[n-]n2c1=O ZINC000012276364 558364184 /nfs/dbraw/zinc/36/41/84/558364184.db2.gz TVJZUSAQGTYFOU-QGZVFWFLSA-N -1 3 410.518 3.450 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000021956057 558456406 /nfs/dbraw/zinc/45/64/06/558456406.db2.gz XLYLYPCUHAMLKL-UHFFFAOYSA-N -1 3 420.541 3.454 40 0 HGABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3CCCCC3)cc2C)cc1 ZINC000013677844 558565075 /nfs/dbraw/zinc/56/50/75/558565075.db2.gz IHSZYGRUCYFXRD-UHFFFAOYSA-N -1 3 415.559 3.320 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)NC(C)C ZINC000013681637 558566818 /nfs/dbraw/zinc/56/68/18/558566818.db2.gz JNCVKSADCZASFP-UHFFFAOYSA-N -1 3 406.504 3.421 40 0 HGABHM Cc1ccc([C@H]2CCCN2C(=O)CC[C@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1C ZINC000019213729 558849407 /nfs/dbraw/zinc/84/94/07/558849407.db2.gz ZZQDSOAPDNHNKI-HYBUGGRVSA-N -1 3 405.498 3.482 40 0 HGABHM Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019239485 558858109 /nfs/dbraw/zinc/85/81/09/558858109.db2.gz ACMLHDGPYOCSDW-OAQYLSRUSA-N -1 3 421.545 3.141 40 0 HGABHM COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)cc1 ZINC000019285297 558859741 /nfs/dbraw/zinc/85/97/41/558859741.db2.gz GRFCWMWNUJDKPI-FQEVSTJZSA-N -1 3 411.889 3.383 40 0 HGABHM Cc1nc(-c2ccc(C(=O)N3[C@@H]4CC[C@H]3Cc3nc(C)[n-]c(=O)c3C4)cc2)cs1 ZINC000019286331 558860442 /nfs/dbraw/zinc/86/04/42/558860442.db2.gz LRQSVAYPLVRQNP-SJORKVTESA-N -1 3 406.511 3.282 40 0 HGABHM O=C(CN1CCCCCC1)N[C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369322 558877913 /nfs/dbraw/zinc/87/79/13/558877913.db2.gz VJONDQWVBAOWEK-NRFANRHFSA-N -1 3 408.546 3.313 40 0 HGABHM Cc1c(CN2CCC[C@@](C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])C2)cnn1C ZINC000019553593 558916818 /nfs/dbraw/zinc/91/68/18/558916818.db2.gz ZFBVVSZQJNIHHX-UGKGYDQZSA-N -1 3 414.481 3.118 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000040389004 558948120 /nfs/dbraw/zinc/94/81/20/558948120.db2.gz FIPMOWCVNGAYCI-PBHICJAKSA-N -1 3 423.517 3.337 40 0 HGABHM Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc([N-]c3ncccn3)n2)cc1C ZINC000072376382 558965637 /nfs/dbraw/zinc/96/56/37/558965637.db2.gz SQGBABQSKSEQQS-SFHVURJKSA-N -1 3 410.503 3.153 40 0 HGABHM CCOc1cc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)ccc1O ZINC000072393226 558972691 /nfs/dbraw/zinc/97/26/91/558972691.db2.gz VRWUACIMVQENBK-KRWDZBQOSA-N -1 3 406.486 3.316 40 0 HGABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)[n-]c(=O)c2C1 ZINC000072398805 558976210 /nfs/dbraw/zinc/97/62/10/558976210.db2.gz KPUFZVQSVZKBBN-DAYGRLMNSA-N -1 3 412.559 3.018 40 0 HGABHM CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)c1cc3ccccc3cc1[O-])CC2 ZINC000585100772 559025425 /nfs/dbraw/zinc/02/54/25/559025425.db2.gz WCMFSOKUSAMFIC-DEOSSOPVSA-N -1 3 409.530 3.094 40 0 HGABHM CCCN1CCN(CC(=O)[O-])C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183587 559070486 /nfs/dbraw/zinc/07/04/86/559070486.db2.gz FJPJEFYWLLLSNI-IBGZPJMESA-N -1 3 410.514 3.160 40 0 HGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000095351589 559079643 /nfs/dbraw/zinc/07/96/43/559079643.db2.gz CAKLGVMOEACNNO-HBMCJLEFSA-N -1 3 401.422 3.141 40 0 HGABHM CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000100242858 559133203 /nfs/dbraw/zinc/13/32/03/559133203.db2.gz GBSAIHGRRDQLHN-NRFANRHFSA-N -1 3 405.502 3.067 40 0 HGABHM CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(I)c1[O-] ZINC000409253539 560703735 /nfs/dbraw/zinc/70/37/35/560703735.db2.gz ZMWNANTUVVRMRJ-NXEZZACHSA-N -1 3 421.300 3.180 40 0 HGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC1CCCCC1 ZINC000409393051 560719284 /nfs/dbraw/zinc/71/92/84/560719284.db2.gz VDARZABQHKIUHA-UHFFFAOYSA-N -1 3 406.479 3.454 40 0 HGABHM O=C(c1cccs1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000013150672 560803058 /nfs/dbraw/zinc/80/30/58/560803058.db2.gz LFCFCGYSHJVNHZ-HNNXBMFYSA-N -1 3 420.498 3.057 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1OCC(=O)N(C)C ZINC000223245696 568542436 /nfs/dbraw/zinc/54/24/36/568542436.db2.gz NBKRPFWITXXWLL-UHFFFAOYSA-N -1 3 416.421 3.282 40 0 HGABHM NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000223297260 568544370 /nfs/dbraw/zinc/54/43/70/568544370.db2.gz ZWPKJCRGTKVSFP-UHFFFAOYSA-N -1 3 408.785 3.024 40 0 HGABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 ZINC000224361403 568579226 /nfs/dbraw/zinc/57/92/26/568579226.db2.gz FXAZFHWWOLNYST-AWEZNQCLSA-N -1 3 416.528 3.447 40 0 HGABHM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3c(F)cccc3F)s2)c1 ZINC000225511887 568645223 /nfs/dbraw/zinc/64/52/23/568645223.db2.gz IFLTVGFBJGUWMZ-UHFFFAOYSA-N -1 3 410.427 3.178 40 0 HGABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1 ZINC000225927964 568686746 /nfs/dbraw/zinc/68/67/46/568686746.db2.gz UTKXZWNHCWQYTI-UHFFFAOYSA-N -1 3 424.469 3.343 40 0 HGABHM Cc1cc(OCC(=O)N2NC(C(F)(F)F)=C[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000059192150 568702064 /nfs/dbraw/zinc/70/20/64/568702064.db2.gz CTLWIIUIPCVHQS-LBPRGKRZSA-N -1 3 404.694 3.429 40 0 HGABHM O=C(Cc1ccc2c(c1)CCCO2)N1CCC[C@H]1c1cncc([N-]c2ncccn2)n1 ZINC000257203030 568776963 /nfs/dbraw/zinc/77/69/63/568776963.db2.gz AOIXHNIVAUHDOF-IBGZPJMESA-N -1 3 416.485 3.241 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257210742 568779404 /nfs/dbraw/zinc/77/94/04/568779404.db2.gz BVZCASZRHGPCRE-MRXNPFEDSA-N -1 3 414.849 3.487 40 0 HGABHM CCOc1cc(-c2cc(-c3cc(OC)c([O-])c(OC)c3)nn2CCO)ccc1O ZINC000257229559 568784833 /nfs/dbraw/zinc/78/48/33/568784833.db2.gz FYOAQNOIDHIPAF-UHFFFAOYSA-N -1 3 400.431 3.037 40 0 HGABHM CCCCCCOc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000226859987 568824846 /nfs/dbraw/zinc/82/48/46/568824846.db2.gz VMCCQPMYTLXJQE-UHFFFAOYSA-N -1 3 403.456 3.297 40 0 HGABHM Cc1c(CN2CCC[C@](C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])C2)cnn1C ZINC000248077114 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SFRLJTPHXQWCFW-KRWDZBQOSA-N -1 3 406.461 3.108 40 0 HGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)C[C@@H]5C=CCC5)CC4)[n-]n3c(=O)c2C1 ZINC000072389797 558970206 /nfs/dbraw/zinc/97/02/06/558970206.db2.gz UDFYSTJDYLXICK-QGZVFWFLSA-N -1 3 423.561 3.264 40 0 HGABHM C[C@H](c1cc(=O)[n-]c(NCc2ccc(Cl)cc2)n1)n1ncc2ccccc2c1=O ZINC000019717468 558980061 /nfs/dbraw/zinc/98/00/61/558980061.db2.gz LAVPGKMANPXOTL-CYBMUJFWSA-N -1 3 407.861 3.355 40 0 HGABHM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000007361860 559251175 /nfs/dbraw/zinc/25/11/75/559251175.db2.gz RKULRWSFDLRGTA-UHFFFAOYSA-N -1 3 406.504 3.100 40 0 HGABHM O=S(=O)([N-]c1cccnc1Cl)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000004439770 560606991 /nfs/dbraw/zinc/60/69/91/560606991.db2.gz MLZRLFKZVOTNKR-UHFFFAOYSA-N -1 3 408.888 3.369 40 0 HGABHM CCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000005642771 560628183 /nfs/dbraw/zinc/62/81/83/560628183.db2.gz QPDWATRSXJUVIP-AWEZNQCLSA-N -1 3 414.897 3.135 40 0 HGABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OC ZINC000006544836 560632261 /nfs/dbraw/zinc/63/22/61/560632261.db2.gz IXVDWAPZQZVENG-UHFFFAOYSA-N -1 3 424.862 3.250 40 0 HGABHM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000004833749 568421140 /nfs/dbraw/zinc/42/11/40/568421140.db2.gz LECMBOBJABEQBY-FRQCXROJSA-N -1 3 408.376 3.108 40 0 HGABHM CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000219287522 568488978 /nfs/dbraw/zinc/48/89/78/568488978.db2.gz VUWFZXVGPHRLLS-UHFFFAOYSA-N -1 3 420.878 3.034 40 0 HGABHM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000222925276 568531170 /nfs/dbraw/zinc/53/11/70/568531170.db2.gz OWMXTZLMBCIEBL-NSHDSACASA-N -1 3 412.895 3.220 40 0 HGABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(OC)cc3C)n2)cc1 ZINC000224489262 568582716 /nfs/dbraw/zinc/58/27/16/568582716.db2.gz AZMNVCUSACPZHV-UHFFFAOYSA-N -1 3 417.487 3.239 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000225657594 568660943 /nfs/dbraw/zinc/66/09/43/568660943.db2.gz MCITVOFPKPYGGA-UHFFFAOYSA-N -1 3 420.712 3.468 40 0 HGABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)N3CCC(C(N)=O)CC3)ccc1OC2(C)C ZINC000257204395 568777382 /nfs/dbraw/zinc/77/73/82/568777382.db2.gz AUJMTRLJFILQKF-KBRIMQKVSA-N -1 3 400.519 3.421 40 0 HGABHM Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1cncc([N-]c2ncccn2)n1 ZINC000257260962 568793097 /nfs/dbraw/zinc/79/30/97/568793097.db2.gz LFFCXPCFFOTTPE-GOSISDBHSA-N -1 3 404.474 3.370 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 ZINC000005980421 569329221 /nfs/dbraw/zinc/32/92/21/569329221.db2.gz MMSNJOCIBPUURG-UHFFFAOYSA-N -1 3 418.515 3.324 40 0 HGABHM O=C(NC1CC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000058141646 569352352 /nfs/dbraw/zinc/35/23/52/569352352.db2.gz YQJHUTBJCRTWCB-INIZCTEOSA-N -1 3 413.326 3.162 40 0 HGABHM N[C@H](C(=O)NCC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1)c1ccccc1 ZINC000072380008 569352528 /nfs/dbraw/zinc/35/25/28/569352528.db2.gz UYJWXRUVRXCYAF-BPZDKFOGSA-N 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O=C(NCc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880930 526768515 /nfs/dbraw/zinc/76/85/15/526768515.db2.gz DJHVYMAKCPEONB-UHFFFAOYSA-N -1 3 401.875 3.466 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000408606911 557518800 /nfs/dbraw/zinc/51/88/00/557518800.db2.gz MOKDYZQWKONWFS-HUUCEWRRSA-N -1 3 424.950 3.153 40 0 HGABHM CCOc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408618946 557535728 /nfs/dbraw/zinc/53/57/28/557535728.db2.gz GXSSNDNPBFZJGX-LBPRGKRZSA-N -1 3 412.895 3.053 40 0 HGABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(=O)CC ZINC000408698481 557714836 /nfs/dbraw/zinc/71/48/36/557714836.db2.gz QBZZNMIIQBGNEG-UHFFFAOYSA-N -1 3 405.476 3.193 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000020009327 558318769 /nfs/dbraw/zinc/31/87/69/558318769.db2.gz ACRFUXJXLUCOOX-QGZVFWFLSA-N -1 3 424.950 3.010 40 0 HGABHM COc1cccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1 ZINC000012256872 558362881 /nfs/dbraw/zinc/36/28/81/558362881.db2.gz IXNYQXABEBXMFO-GOSISDBHSA-N -1 3 404.470 3.202 40 0 HGABHM COc1nc2cc(C)ccc2cc1CN1CCc2c(nc(-c3ccncc3)[n-]c2=O)C1 ZINC000012666639 558445200 /nfs/dbraw/zinc/44/52/00/558445200.db2.gz UHOONPQOKPLCRM-UHFFFAOYSA-N -1 3 413.481 3.255 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022539485 558498996 /nfs/dbraw/zinc/49/89/96/558498996.db2.gz ALYXJPASSOQLJG-VXGBXAGGSA-N -1 3 414.886 3.032 40 0 HGABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)ccc1Cl ZINC000030865953 558742455 /nfs/dbraw/zinc/74/24/55/558742455.db2.gz RIAVIFIRGLTUQC-UHFFFAOYSA-N -1 3 411.863 3.245 40 0 HGABHM CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019081343 558839595 /nfs/dbraw/zinc/83/95/95/558839595.db2.gz VQTRAHMZIPFWCZ-HNNXBMFYSA-N -1 3 414.531 3.152 40 0 HGABHM COc1ccccc1CC(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019285305 558859779 /nfs/dbraw/zinc/85/97/79/558859779.db2.gz PUQXBJGIALGBSO-LJQANCHMSA-N -1 3 411.889 3.383 40 0 HGABHM O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343558 558872524 /nfs/dbraw/zinc/87/25/24/558872524.db2.gz JILCOQIQHRYDQX-IBGZPJMESA-N -1 3 412.559 3.243 40 0 HGABHM O=C(Cc1ccc(F)cc1)N[C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccccc1 ZINC000019369350 558877991 /nfs/dbraw/zinc/87/79/91/558877991.db2.gz XPUUDAXMFXXUCV-OAQYLSRUSA-N -1 3 420.488 3.152 40 0 HGABHM CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CCCC4)[n-]n3c(=O)c2C1 ZINC000019448047 558886704 /nfs/dbraw/zinc/88/67/04/558886704.db2.gz TTXZVKFYQZFYOY-HXUWFJFHSA-N -1 3 411.550 3.445 40 0 HGABHM Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)s1 ZINC000019560126 558921122 /nfs/dbraw/zinc/92/11/22/558921122.db2.gz DBQXNMQKOYMEFT-KRWDZBQOSA-N -1 3 415.563 3.389 40 0 HGABHM Cc1nc(C)c(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)s1 ZINC000019560462 558921553 /nfs/dbraw/zinc/92/15/53/558921553.db2.gz ATNMWDHRPQHNED-SFHVURJKSA-N -1 3 421.526 3.276 40 0 HGABHM Cc1ncsc1C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019562036 558922745 /nfs/dbraw/zinc/92/27/45/558922745.db2.gz LOFJJTIEIMZSSL-UHFFFAOYSA-N -1 3 400.529 3.358 40 0 HGABHM Cc1noc(C)c1CCC(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019580619 558936187 /nfs/dbraw/zinc/93/61/87/558936187.db2.gz ZXZCBMSFQWHICC-UHFFFAOYSA-N -1 3 412.515 3.442 40 0 HGABHM Cc1nn(C)cc1CN1CCC(C[C@@H]2CC(c3ccc(F)cc3)=NO2)(C(=O)[O-])CC1 ZINC000019583749 558938074 /nfs/dbraw/zinc/93/80/74/558938074.db2.gz PNXYNQUPEJGCLY-IBGZPJMESA-N -1 3 414.481 3.118 40 0 HGABHM Cc1cc2c(cc1CN1CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C1)OCO2 ZINC000072393271 558972630 /nfs/dbraw/zinc/97/26/30/558972630.db2.gz CVOLSSIDFMAHPS-MRXNPFEDSA-N -1 3 404.470 3.249 40 0 HGABHM C[C@@H](c1cc(=O)[n-]c(N[C@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717485 558980055 /nfs/dbraw/zinc/98/00/55/558980055.db2.gz DVTBVCXVVQGGKE-KSSFIOAISA-N -1 3 415.453 3.025 40 0 HGABHM CCn1ncc(-c2cc(C(=O)[N-]c3cc4c(cc3Cl)NC(=O)CO4)on2)c1C ZINC000019719085 558982996 /nfs/dbraw/zinc/98/29/96/558982996.db2.gz ZCTSWOOYWGINGM-UHFFFAOYSA-N -1 3 401.810 3.103 40 0 HGABHM CCC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C[C@H]1CC=CCC1)C3 ZINC000100234314 559132877 /nfs/dbraw/zinc/13/28/77/559132877.db2.gz HSLSPXZAKUIGGW-OXJNMPFZSA-N -1 3 409.534 3.223 40 0 HGABHM CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccc(C)c4)[n-]n3c(=O)c2C1 ZINC000100242987 559133216 /nfs/dbraw/zinc/13/32/16/559133216.db2.gz MBKSSQZLFCYBBX-JOCHJYFZSA-N -1 3 419.529 3.375 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1C ZINC000409369522 560716645 /nfs/dbraw/zinc/71/66/45/560716645.db2.gz CJSVEKGKOVBFMM-UHFFFAOYSA-N -1 3 402.516 3.496 40 0 HGABHM COc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(C)c3)s2)cc1 ZINC000224288105 568576562 /nfs/dbraw/zinc/57/65/62/568576562.db2.gz IVIFLIGQCACZQF-UHFFFAOYSA-N -1 3 418.500 3.146 40 0 HGABHM CC(C)n1c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2sc1=O ZINC000225146248 568617565 /nfs/dbraw/zinc/61/75/65/568617565.db2.gz WKLUJUXDOIOJOK-UHFFFAOYSA-N -1 3 405.501 3.268 40 0 HGABHM COc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1OC ZINC000095533851 568635429 /nfs/dbraw/zinc/63/54/29/568635429.db2.gz BUWSWNIQVOQOQF-OAHLLOKOSA-N -1 3 405.252 3.005 40 0 HGABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000225848105 568680222 /nfs/dbraw/zinc/68/02/22/568680222.db2.gz ULDAKJXXNRFSSA-NSHDSACASA-N -1 3 422.919 3.483 40 0 HGABHM CCOC(=O)C1(c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)CC)cc3)cc2)CC1 ZINC000225964121 568689443 /nfs/dbraw/zinc/68/94/43/568689443.db2.gz SVUFAGXKWKDZNY-UHFFFAOYSA-N -1 3 416.499 3.295 40 0 HGABHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)c1 ZINC000253560997 569317893 /nfs/dbraw/zinc/31/78/93/569317893.db2.gz BNRHNBQNTNTPIL-IIAWOOMASA-N -1 3 409.490 3.322 40 0 HGABHM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1 ZINC000010314918 569343490 /nfs/dbraw/zinc/34/34/90/569343490.db2.gz GWBIGDXVEMOPOU-UHFFFAOYSA-N -1 3 403.504 3.149 40 0 HGABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000139118256 569354466 /nfs/dbraw/zinc/35/44/66/569354466.db2.gz ULDXRIHSVOQZHL-HZPDHXFCSA-N -1 3 423.517 3.220 40 0 HGABHM Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3csc([N-]c4cnccn4)n3)C2)cs1 ZINC000585290570 571309742 /nfs/dbraw/zinc/30/97/42/571309742.db2.gz CSUPEOVORKYZNS-ISZGNANSSA-N -1 3 412.544 3.861 40 0 HGABHM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000044846811 518752784 /nfs/dbraw/zinc/75/27/84/518752784.db2.gz MQUIYRJXJUFEMR-UHFFFAOYSA-N -1 3 423.922 3.492 40 0 HGABHM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000044885785 524000827 /nfs/dbraw/zinc/00/08/27/524000827.db2.gz HMOOZWJNZWAZIZ-LBPRGKRZSA-N -1 3 423.922 3.492 40 0 HGABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000040400367 525329637 /nfs/dbraw/zinc/32/96/37/525329637.db2.gz XXRWOOLWIXWLAH-HNNXBMFYSA-N -1 3 403.442 3.195 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000408606913 557518818 /nfs/dbraw/zinc/51/88/18/557518818.db2.gz MOKDYZQWKONWFS-LSDHHAIUSA-N -1 3 424.950 3.153 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408601086 557521667 /nfs/dbraw/zinc/52/16/67/557521667.db2.gz FDQCDGGAZMVSMQ-OAHLLOKOSA-N -1 3 406.504 3.036 40 0 HGABHM CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009333 558318921 /nfs/dbraw/zinc/31/89/21/558318921.db2.gz QSTWBWRHQWTXPZ-WMLDXEAASA-N -1 3 424.950 3.153 40 0 HGABHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]C3(c4ccc(F)cc4)CC3)c(Cl)cc21 ZINC000012240340 558360113 /nfs/dbraw/zinc/36/01/13/558360113.db2.gz CQDKJKZYUCIHFC-UHFFFAOYSA-N -1 3 410.854 3.375 40 0 HGABHM COc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000012256905 558362950 /nfs/dbraw/zinc/36/29/50/558362950.db2.gz HOHUESIWIWGNGK-GOSISDBHSA-N -1 3 404.470 3.202 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1N1CCCC1=O ZINC000020452783 558366815 /nfs/dbraw/zinc/36/68/15/558366815.db2.gz YTSBWZBFZMLMLA-UHFFFAOYSA-N -1 3 404.488 3.410 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610065 558501720 /nfs/dbraw/zinc/50/17/20/558501720.db2.gz CLGYGLYJSWWGJF-KRWDZBQOSA-N -1 3 423.517 3.194 40 0 HGABHM O=S(=O)(c1ccc(-c2n[nH]c(=S)[n-]2)cc1)c1ccc(C2N=NC(=S)N2)cc1 ZINC000016429321 558791002 /nfs/dbraw/zinc/79/10/02/558791002.db2.gz ZMRKIMKHEODFFF-UHFFFAOYSA-N -1 3 416.513 3.041 40 0 HGABHM CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019081284 558839399 /nfs/dbraw/zinc/83/93/99/558839399.db2.gz SADJVYKGDFLATH-HNNXBMFYSA-N -1 3 414.575 3.142 40 0 HGABHM Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1C ZINC000019214127 558849439 /nfs/dbraw/zinc/84/94/39/558849439.db2.gz LDEHMACBURTFMO-HKUYNNGSSA-N -1 3 418.497 3.232 40 0 HGABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N[C@H](C)c4ccccn4)n3)CC2=O)c1C ZINC000019235564 558854663 /nfs/dbraw/zinc/85/46/63/558854663.db2.gz VGYPDBKCIBRWRJ-SJORKVTESA-N -1 3 403.486 3.475 40 0 HGABHM COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(NCc3ccccc3C)n2)CC1=O ZINC000019237284 558856543 /nfs/dbraw/zinc/85/65/43/558856543.db2.gz NXGMUWZWGLOOEV-KRWDZBQOSA-N -1 3 404.470 3.220 40 0 HGABHM Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019239484 558857999 /nfs/dbraw/zinc/85/79/99/558857999.db2.gz ACMLHDGPYOCSDW-NRFANRHFSA-N -1 3 421.545 3.141 40 0 HGABHM COc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019240989 558859546 /nfs/dbraw/zinc/85/95/46/558859546.db2.gz UHQQYXXVNGSLNF-OAQYLSRUSA-N -1 3 416.481 3.211 40 0 HGABHM COc1ccccc1CC(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019285304 558859795 /nfs/dbraw/zinc/85/97/95/558859795.db2.gz PUQXBJGIALGBSO-IBGZPJMESA-N -1 3 411.889 3.383 40 0 HGABHM O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccccc1 ZINC000019369359 558877987 /nfs/dbraw/zinc/87/79/87/558877987.db2.gz ZHFYEEJBNQNCOC-OAQYLSRUSA-N -1 3 420.488 3.152 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)COc1ccccc1 ZINC000056123109 558885091 /nfs/dbraw/zinc/88/50/91/558885091.db2.gz OCERBWBONGCXTR-GFCCVEGCSA-N -1 3 400.294 3.204 40 0 HGABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC=CCC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448125 558886970 /nfs/dbraw/zinc/88/69/70/558886970.db2.gz COFFOGMIMXFEFD-SFHVURJKSA-N -1 3 423.561 3.264 40 0 HGABHM CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)n1 ZINC000019525152 558906597 /nfs/dbraw/zinc/90/65/97/558906597.db2.gz BDINXEKIXVJRTM-HXUWFJFHSA-N -1 3 424.549 3.067 40 0 HGABHM CC(C)n1cc(CN2CCc3c(=O)[n-]c(N4CCOCC4)nc3C2)c2ccccc21 ZINC000072335521 558936637 /nfs/dbraw/zinc/93/66/37/558936637.db2.gz QGWPDCQEWJKXLP-UHFFFAOYSA-N -1 3 407.518 3.113 40 0 HGABHM CNc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4ccc(Cl)cc4)n3)C2)cn1 ZINC000019592382 558943276 /nfs/dbraw/zinc/94/32/76/558943276.db2.gz RDRVMKKSROLQGO-INIZCTEOSA-N -1 3 410.909 3.302 40 0 HGABHM C[C@@H](c1cc(=O)[n-]c(NCc2ccc(Cl)cc2)n1)n1ncc2ccccc2c1=O ZINC000019717467 558980091 /nfs/dbraw/zinc/98/00/91/558980091.db2.gz LAVPGKMANPXOTL-ZDUSSCGKSA-N -1 3 407.861 3.355 40 0 HGABHM C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000257309209 559011504 /nfs/dbraw/zinc/01/15/04/559011504.db2.gz TZYYXZFSOYCCLX-IAGOWNOFSA-N -1 3 424.545 3.384 40 0 HGABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2N1 ZINC000078403915 559012330 /nfs/dbraw/zinc/01/23/30/559012330.db2.gz UWZHVIIQYOYCGZ-SNVBAGLBSA-N -1 3 414.268 3.449 40 0 HGABHM COCCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccc(C)c1[O-])C2 ZINC000585106572 559028934 /nfs/dbraw/zinc/02/89/34/559028934.db2.gz BKVHBLQYAKDWSP-XMMPIXPASA-N -1 3 418.497 3.094 40 0 HGABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)C4CCCC4)[n-]n3c2=O)C1 ZINC000100234084 559132755 /nfs/dbraw/zinc/13/27/55/559132755.db2.gz FDMNORQTKBYRFO-FQEVSTJZSA-N -1 3 411.550 3.445 40 0 HGABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C ZINC000006348440 559199980 /nfs/dbraw/zinc/19/99/80/559199980.db2.gz OYWHAXFRHWFVJA-UHFFFAOYSA-N -1 3 414.277 3.110 40 0 HGABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)C(=O)Nc2ccccc2OC)N1 ZINC000409358157 560715717 /nfs/dbraw/zinc/71/57/17/560715717.db2.gz KGWFWOVOMXEXEC-SFHVURJKSA-N -1 3 415.412 3.443 40 0 HGABHM Cc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(C)c3)s2)cc1 ZINC000223392115 568547324 /nfs/dbraw/zinc/54/73/24/568547324.db2.gz XYKDALHEBAQZSB-UHFFFAOYSA-N -1 3 402.501 3.446 40 0 HGABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OCC)cc3)n2)cc1 ZINC000223576153 568552062 /nfs/dbraw/zinc/55/20/62/568552062.db2.gz LTHYZCUWUAKVLP-UHFFFAOYSA-N -1 3 403.460 3.013 40 0 HGABHM O=C([N-]c1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1Cl ZINC000225082414 568613088 /nfs/dbraw/zinc/61/30/88/568613088.db2.gz GBGACXQBLDAHPI-UHFFFAOYSA-N -1 3 421.331 3.272 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c(Cl)c1Cl ZINC000225248614 568625806 /nfs/dbraw/zinc/62/58/06/568625806.db2.gz DWUCMEFMYQMDSW-SNVBAGLBSA-N -1 3 404.271 3.120 40 0 HGABHM O=C(Nc1ccc(OC(F)(F)F)cc1)C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000225930336 568686961 /nfs/dbraw/zinc/68/69/61/568686961.db2.gz IEOZCGXJBKUSDL-UHFFFAOYSA-N -1 3 406.407 3.096 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1 ZINC000226054241 568692262 /nfs/dbraw/zinc/69/22/62/568692262.db2.gz GMGSEJPHOQWWFM-UHFFFAOYSA-N -1 3 420.531 3.346 40 0 HGABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)C[C@H]4C)c2)n1 ZINC000226093955 568693891 /nfs/dbraw/zinc/69/38/91/568693891.db2.gz CCOBRIVLUDQTCU-CQSZACIVSA-N -1 3 412.449 3.430 40 0 HGABHM O=C(CCOc1cccc(F)c1)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257219570 568781898 /nfs/dbraw/zinc/78/18/98/568781898.db2.gz DHGSMYNZEOQJAF-UHFFFAOYSA-N -1 3 422.464 3.324 40 0 HGABHM Cc1ccc(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000107855936 569353032 /nfs/dbraw/zinc/35/30/32/569353032.db2.gz IUFZPVMTEGZTIK-GFCCVEGCSA-N -1 3 401.315 3.285 40 0 HGABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000139087429 569354333 /nfs/dbraw/zinc/35/43/33/569354333.db2.gz FIPMOWCVNGAYCI-RHSMWYFYSA-N -1 3 423.517 3.337 40 0 HGABHM COc1cc(OC)c2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1[O-] ZINC000015271731 291237920 /nfs/dbraw/zinc/23/79/20/291237920.db2.gz VZZSHWGQMLXLPF-UHFFFAOYSA-N -1 3 418.398 3.217 40 0 biogenic,in-vitro HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1C ZINC000040399168 525219990 /nfs/dbraw/zinc/21/99/90/525219990.db2.gz RJKLURPTWGVXNI-INIZCTEOSA-N -1 3 403.442 3.195 40 0 HGABHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399159 527396322 /nfs/dbraw/zinc/39/63/22/527396322.db2.gz AWTDEAHEWOKNPV-CQSZACIVSA-N -1 3 409.833 3.231 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1Cl ZINC000408561491 557459928 /nfs/dbraw/zinc/45/99/28/557459928.db2.gz TVNYKFHCVIXIRT-UHFFFAOYSA-N -1 3 424.906 3.151 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1Cl ZINC000408601800 557522420 /nfs/dbraw/zinc/52/24/20/557522420.db2.gz BPFDYBRPXZVQSM-SNVBAGLBSA-N -1 3 403.287 3.308 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000408608296 557531876 /nfs/dbraw/zinc/53/18/76/557531876.db2.gz OYZGYGPWTKGIBP-JTQLQIEISA-N -1 3 403.287 3.308 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000020009342 558319013 /nfs/dbraw/zinc/31/90/13/558319013.db2.gz OSFPZXMEGGYZTQ-INIZCTEOSA-N -1 3 424.950 3.153 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000020108433 558334316 /nfs/dbraw/zinc/33/43/16/558334316.db2.gz GSMOSNVOLAQAGZ-UHFFFAOYSA-N -1 3 407.879 3.091 40 0 HGABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000012143863 558335720 /nfs/dbraw/zinc/33/57/20/558335720.db2.gz BZLGTGXVLSGESJ-LJQANCHMSA-N -1 3 416.499 3.172 40 0 HGABHM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000020457131 558370463 /nfs/dbraw/zinc/37/04/63/558370463.db2.gz XVIQOUBJSZXBAO-GFCCVEGCSA-N -1 3 423.922 3.492 40 0 HGABHM CC(C)(C)OC(=O)N[C@@H](CCCC(=O)N=C([O-])OC(C)(C)C)C(=O)OC(C)(C)C ZINC000022052486 558459930 /nfs/dbraw/zinc/45/99/30/558459930.db2.gz KOLDSECLRRRIFP-ZDUSSCGKSA-N -1 3 416.515 3.443 40 0 in-vitro HGABHM CC(C)(C)OC(=O)[N-]C(=O)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000022052486 558459932 /nfs/dbraw/zinc/45/99/32/558459932.db2.gz KOLDSECLRRRIFP-ZDUSSCGKSA-N -1 3 416.515 3.443 40 0 in-vitro HGABHM Nc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017195547 558825410 /nfs/dbraw/zinc/82/54/10/558825410.db2.gz MJCNCWNBFJHLRO-KRWDZBQOSA-N -1 3 418.375 3.138 40 0 HGABHM O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCCCC3)[n-]c2=O)C1 ZINC000019014684 558836823 /nfs/dbraw/zinc/83/68/23/558836823.db2.gz FCFBNSCBVWQFIC-LJQANCHMSA-N -1 3 412.534 3.111 40 0 HGABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000013661996 558851537 /nfs/dbraw/zinc/85/15/37/558851537.db2.gz CAUKAGFZMJWBNQ-FSSWDIPSSA-N -1 3 416.433 3.452 40 0 HGABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N[C@@H](C)c4ccccn4)n3)CC2=O)c1C ZINC000019235565 558854643 /nfs/dbraw/zinc/85/46/43/558854643.db2.gz VGYPDBKCIBRWRJ-IRXDYDNUSA-N -1 3 403.486 3.475 40 0 HGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)n[nH]2)cc(=O)[n-]1 ZINC000019285139 558859506 /nfs/dbraw/zinc/85/95/06/558859506.db2.gz SDQVYCIQZXOYCC-SFHVURJKSA-N -1 3 404.474 3.120 40 0 HGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CCCC4)[n-]n3c(=O)c2C1 ZINC000019448045 558886712 /nfs/dbraw/zinc/88/67/12/558886712.db2.gz TTXZVKFYQZFYOY-FQEVSTJZSA-N -1 3 411.550 3.445 40 0 HGABHM CCOc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1OC ZINC000019533733 558913338 /nfs/dbraw/zinc/91/33/38/558913338.db2.gz AKRMOPBYDQUOBY-GOSISDBHSA-N -1 3 406.486 3.229 40 0 HGABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 ZINC000071980575 558917383 /nfs/dbraw/zinc/91/73/83/558917383.db2.gz IDEXTLXKDKYQPL-LJQANCHMSA-N -1 3 414.889 3.258 40 0 HGABHM CCOc1ccccc1C(=O)N1[C@@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2 ZINC000071980693 558917627 /nfs/dbraw/zinc/91/76/27/558917627.db2.gz VZWLQMRAGAWAEA-HXUWFJFHSA-N -1 3 424.497 3.003 40 0 HGABHM Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)C2(c3ccccc3)CCCCC2)c(=O)[n-]1 ZINC000072324963 558933427 /nfs/dbraw/zinc/93/34/27/558933427.db2.gz CRMZPGVIEITOBQ-GOSISDBHSA-N -1 3 420.517 3.128 40 0 HGABHM Cc1ccc2occ(CN3CCc4c(nc(N5CCCC[C@@H]5C)[n-]c4=O)C3)c(=O)c2c1 ZINC000072335600 558936578 /nfs/dbraw/zinc/93/65/78/558936578.db2.gz BLEPUDJPLSAOGB-INIZCTEOSA-N -1 3 420.513 3.122 40 0 HGABHM O=c1cc([C@@H]2CCCN(Cc3coc4ccccc4c3=O)C2)nc(-c2ccccn2)[n-]1 ZINC000072393247 558972724 /nfs/dbraw/zinc/97/27/24/558972724.db2.gz NBNIMQRKLUVYLV-MRXNPFEDSA-N -1 3 414.465 3.318 40 0 HGABHM C[C@@H](c1cc(=O)[n-]c(N[C@@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717483 558980149 /nfs/dbraw/zinc/98/01/49/558980149.db2.gz DVTBVCXVVQGGKE-KBXCAEBGSA-N -1 3 415.453 3.025 40 0 HGABHM COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccc(C)c1[O-])C2 ZINC000585106571 559028925 /nfs/dbraw/zinc/02/89/25/559028925.db2.gz BKVHBLQYAKDWSP-DEOSSOPVSA-N -1 3 418.497 3.094 40 0 HGABHM O=C(C1CCCCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000004861999 560614096 /nfs/dbraw/zinc/61/40/96/560614096.db2.gz NSXQFSNHSDJYRP-GOSISDBHSA-N -1 3 420.517 3.262 40 0 HGABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)CC(C)C)CC2)[n-]c3=O)cc1 ZINC000005738581 560627421 /nfs/dbraw/zinc/62/74/21/560627421.db2.gz NUYJOJWBZGHNEL-UHFFFAOYSA-N -1 3 408.506 3.036 40 0 HGABHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000409111613 560678002 /nfs/dbraw/zinc/67/80/02/560678002.db2.gz BCKWDTXGOUXZND-UHFFFAOYSA-N -1 3 414.277 3.192 40 0 HGABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Br)c3)n2)c1 ZINC000223655691 568555122 /nfs/dbraw/zinc/55/51/22/568555122.db2.gz RTEGBBHAEHHCGJ-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1 ZINC000223773303 568558635 /nfs/dbraw/zinc/55/86/35/568558635.db2.gz GFNGFGBEOIMQMK-UHFFFAOYSA-N -1 3 417.487 3.356 40 0 HGABHM Cc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000223834736 568560306 /nfs/dbraw/zinc/56/03/06/568560306.db2.gz DBNJEMHANQNSCH-UHFFFAOYSA-N -1 3 422.919 3.231 40 0 HGABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000223950956 568564198 /nfs/dbraw/zinc/56/41/98/568564198.db2.gz FYZIZMYPJIPSNV-CQSZACIVSA-N -1 3 416.528 3.447 40 0 HGABHM CCOc1cc([C@H](N)c2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1OC ZINC000095534422 568635758 /nfs/dbraw/zinc/63/57/58/568635758.db2.gz LEAMCMLSQLKFQQ-INIZCTEOSA-N -1 3 419.279 3.395 40 0 HGABHM Cc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000225499273 568643803 /nfs/dbraw/zinc/64/38/03/568643803.db2.gz JRXSVPVFPXNDMO-UHFFFAOYSA-N -1 3 422.919 3.231 40 0 HGABHM CCN(CC)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225859356 568681214 /nfs/dbraw/zinc/68/12/14/568681214.db2.gz NJRIMDSELZFYBM-UHFFFAOYSA-N -1 3 409.320 3.128 40 0 HGABHM Cc1ccc(S(=O)(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1C ZINC000257275896 568797390 /nfs/dbraw/zinc/79/73/90/568797390.db2.gz NRKYJXMEHXSMMU-UHFFFAOYSA-N -1 3 424.530 3.195 40 0 HGABHM CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc4n[n-]nc4c3)CCO2)n1 ZINC000257283403 568799487 /nfs/dbraw/zinc/79/94/87/568799487.db2.gz OYDQTDXZTZATNY-FQEVSTJZSA-N -1 3 418.457 3.092 40 0 HGABHM COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(C)nc(=O)[n-]4)C3)o2)cc1 ZINC000257289612 568801241 /nfs/dbraw/zinc/80/12/41/568801241.db2.gz PZKUQAKCXWYGIM-MRXNPFEDSA-N -1 3 408.458 3.098 40 0 HGABHM COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(Br)c1[O-] ZINC000002737397 568931838 /nfs/dbraw/zinc/93/18/38/568931838.db2.gz DJRHLOQXZQKVIX-HNNXBMFYSA-N -1 3 424.320 3.067 40 0 HGABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1 ZINC000253567708 569317901 /nfs/dbraw/zinc/31/79/01/569317901.db2.gz KJFURFLTHJBMKO-CABCVRRESA-N -1 3 409.490 3.242 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c(C)c1 ZINC000253567788 569317951 /nfs/dbraw/zinc/31/79/51/569317951.db2.gz KLIKKXGWJIKHGT-HUUCEWRRSA-N -1 3 409.490 3.242 40 0 HGABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)[n-]c(=O)c2C1 ZINC000253599071 569318399 /nfs/dbraw/zinc/31/83/99/569318399.db2.gz KPUFZVQSVZKBBN-MPGHIAIKSA-N -1 3 412.559 3.430 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)cc1 ZINC000006207642 569329956 /nfs/dbraw/zinc/32/99/56/569329956.db2.gz IFQLBGBRYPVLDB-UHFFFAOYSA-N -1 3 406.504 3.037 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CC)c(C)c2)cc1 ZINC000007362006 569337334 /nfs/dbraw/zinc/33/73/34/569337334.db2.gz HLMIXKODFHAVFF-MRXNPFEDSA-N -1 3 420.531 3.488 40 0 HGABHM N[C@@H](C(=O)NCC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1)c1ccccc1 ZINC000072380007 569352537 /nfs/dbraw/zinc/35/25/37/569352537.db2.gz UYJWXRUVRXCYAF-MYKUNDNFSA-N -1 3 417.517 3.100 40 0 HGABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 ZINC000107836055 569353026 /nfs/dbraw/zinc/35/30/26/569353026.db2.gz QTAWTLGJYLFNJH-UHFFFAOYSA-N -1 3 402.516 3.433 40 0 HGABHM Cc1cnc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3cccnc3)CC2)s1 ZINC000585293476 571309423 /nfs/dbraw/zinc/30/94/23/571309423.db2.gz XYTFGULYXLDNRA-SNAWJCMRSA-N -1 3 406.515 3.800 40 0 HGABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400391 521901878 /nfs/dbraw/zinc/90/18/78/521901878.db2.gz QBZCKIPQSXEXLL-MRXNPFEDSA-N -1 3 417.469 3.449 40 0 HGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000040399619 524431452 /nfs/dbraw/zinc/43/14/52/524431452.db2.gz DELLEZCTXOWFCX-MRXNPFEDSA-N -1 3 421.432 3.334 40 0 HGABHM COc1ccccc1OCC(=O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000032100805 524659439 /nfs/dbraw/zinc/65/94/39/524659439.db2.gz OSOBBWATFVSCLD-GOSISDBHSA-N -1 3 400.397 3.494 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1C ZINC000040399167 525198725 /nfs/dbraw/zinc/19/87/25/525198725.db2.gz RJKLURPTWGVXNI-MRXNPFEDSA-N -1 3 403.442 3.195 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400361 525199165 /nfs/dbraw/zinc/19/91/65/525199165.db2.gz VUDDODLSCOCDNI-MRXNPFEDSA-N -1 3 403.442 3.195 40 0 HGABHM Cc1ccc2c(c1)N(S(=O)(=O)c1nnc([N-]C(=O)c3cccs3)s1)[C@@H](C)C2 ZINC000041085454 526170357 /nfs/dbraw/zinc/17/03/57/526170357.db2.gz URWPFDJPAXCNAE-NSHDSACASA-N -1 3 420.541 3.300 40 0 HGABHM O=C(NCCCn1ccnc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044841900 526290523 /nfs/dbraw/zinc/29/05/23/526290523.db2.gz ZBIPHEBXSIBSRE-UHFFFAOYSA-N -1 3 418.906 3.157 40 0 HGABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)ccc1OC ZINC000408586294 557488967 /nfs/dbraw/zinc/48/89/67/557488967.db2.gz NENHTTFECFKXCG-UHFFFAOYSA-N -1 3 410.448 3.082 40 0 HGABHM Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccc(C)c(C)c3)n2)s1 ZINC000010156497 557856072 /nfs/dbraw/zinc/85/60/72/557856072.db2.gz ITRJDBHZXBPGMT-UHFFFAOYSA-N -1 3 401.521 3.298 40 0 HGABHM CCCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)cc1)C3 ZINC000019821187 558290612 /nfs/dbraw/zinc/29/06/12/558290612.db2.gz CLUQKZMGHCREEO-HNNXBMFYSA-N -1 3 407.470 3.196 40 0 HGABHM COc1ccc(CN(C)C(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000020107599 558334140 /nfs/dbraw/zinc/33/41/40/558334140.db2.gz KFNSOEIDEASGDP-UHFFFAOYSA-N -1 3 412.895 3.001 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000022277006 558475576 /nfs/dbraw/zinc/47/55/76/558475576.db2.gz HZYNKZWZDKZPQG-UHFFFAOYSA-N -1 3 420.712 3.468 40 0 HGABHM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1C ZINC000022520452 558494495 /nfs/dbraw/zinc/49/44/95/558494495.db2.gz TYAMSBQMMXBDAL-UHFFFAOYSA-N -1 3 410.879 3.449 40 0 HGABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000030851675 558740136 /nfs/dbraw/zinc/74/01/36/558740136.db2.gz WHCZMYVPUQAZCX-UHFFFAOYSA-N -1 3 422.890 3.363 40 0 HGABHM CC(C)(C)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2)C3)CC1 ZINC000019081101 558839274 /nfs/dbraw/zinc/83/92/74/558839274.db2.gz APRHBOFHGCTUJV-UHFFFAOYSA-N -1 3 408.546 3.493 40 0 HGABHM COc1cccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019285303 558859696 /nfs/dbraw/zinc/85/96/96/558859696.db2.gz FRRNALGXYRUKPB-HXUWFJFHSA-N -1 3 411.889 3.383 40 0 HGABHM COc1cccc(CC(=O)N2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285521 558859817 /nfs/dbraw/zinc/85/98/17/558859817.db2.gz ACTXICFKQRYOEM-VQTJNVASSA-N -1 3 421.472 3.178 40 0 HGABHM Cc1nc(C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285397 558859824 /nfs/dbraw/zinc/85/98/24/558859824.db2.gz AJKWPAODGXLBRS-SFHVURJKSA-N -1 3 421.881 3.133 40 0 HGABHM Cc1nc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2c2ccccc2F)cc(=O)[n-]1 ZINC000019285520 558859836 /nfs/dbraw/zinc/85/98/36/558859836.db2.gz DBUOPJJWTLPVIG-RBUKOAKNSA-N -1 3 409.436 3.309 40 0 HGABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000019340035 558871510 /nfs/dbraw/zinc/87/15/10/558871510.db2.gz PWVONPWCCZFWJQ-UHFFFAOYSA-N -1 3 418.888 3.434 40 0 HGABHM O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349258 558874943 /nfs/dbraw/zinc/87/49/43/558874943.db2.gz CBAVOVHQKUXOBW-NRFANRHFSA-N -1 3 424.520 3.321 40 0 HGABHM O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349398 558875199 /nfs/dbraw/zinc/87/51/99/558875199.db2.gz SGXKOPMQMRRSAI-OAQYLSRUSA-N -1 3 424.520 3.321 40 0 HGABHM O=C(Cc1ccccc1)N[C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccc(F)cc1 ZINC000019370325 558878430 /nfs/dbraw/zinc/87/84/30/558878430.db2.gz PQZRMHSQQPTWFW-OAQYLSRUSA-N -1 3 420.488 3.152 40 0 HGABHM CC(C)N1CCc2nc3cc([C@@H]4CCCN4C(=O)Cc4ccccc4)[n-]n3c(=O)c2C1 ZINC000019448113 558886683 /nfs/dbraw/zinc/88/66/83/558886683.db2.gz HMQGHZORNSSWLJ-NRFANRHFSA-N -1 3 419.529 3.108 40 0 HGABHM CCOc1ncccc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC000019531534 558912121 /nfs/dbraw/zinc/91/21/21/558912121.db2.gz WZGHFAONYNZMNT-GOSISDBHSA-N -1 3 412.877 3.239 40 0 HGABHM CC[C@H](C(=O)N1[C@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2)c1ccccc1 ZINC000071980612 558917344 /nfs/dbraw/zinc/91/73/44/558917344.db2.gz GEHIEJFHPFJMAP-VXKWHMMOSA-N -1 3 422.525 3.485 40 0 HGABHM COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[n-]c(=O)c3C2)cc1 ZINC000019555496 558918107 /nfs/dbraw/zinc/91/81/07/558918107.db2.gz SYNMDAHUMQXENZ-NRFANRHFSA-N -1 3 422.529 3.213 40 0 HGABHM COCc1ccc(OC)c(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C2)c1 ZINC000072352943 558949443 /nfs/dbraw/zinc/94/94/43/558949443.db2.gz RSPVRODVYWDRDD-IBGZPJMESA-N -1 3 420.513 3.367 40 0 HGABHM CCc1nnc([N-]c2cccc([C@@H]3CCCN(CC(=O)N4CCCC4)C3)n2)s1 ZINC000072375945 558965165 /nfs/dbraw/zinc/96/51/65/558965165.db2.gz MRTROMBQUFZXLI-OAHLLOKOSA-N -1 3 400.552 3.041 40 0 HGABHM Cc1cc2c(cc1CN1CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C1)OCO2 ZINC000072393270 558972646 /nfs/dbraw/zinc/97/26/46/558972646.db2.gz CVOLSSIDFMAHPS-INIZCTEOSA-N -1 3 404.470 3.249 40 0 HGABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2N1 ZINC000078403917 559012313 /nfs/dbraw/zinc/01/23/13/559012313.db2.gz UWZHVIIQYOYCGZ-JTQLQIEISA-N -1 3 414.268 3.449 40 0 HGABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OC ZINC000005007057 560620646 /nfs/dbraw/zinc/62/06/46/560620646.db2.gz ZFCQHIOJENQMTN-UHFFFAOYSA-N -1 3 418.471 3.214 40 0 HGABHM CCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000005642759 560628178 /nfs/dbraw/zinc/62/81/78/560628178.db2.gz JZQDTJDMFAZQFW-UHFFFAOYSA-N -1 3 414.897 3.135 40 0 HGABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000409054829 560671414 /nfs/dbraw/zinc/67/14/14/560671414.db2.gz BSNCGDZTTLNSFR-SRBZOADZSA-N -1 3 400.397 3.132 40 0 HGABHM COC(=O)c1cn(C(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c2ccccc12 ZINC000222618440 568520980 /nfs/dbraw/zinc/52/09/80/568520980.db2.gz ROOBHLKZARDJDP-UHFFFAOYSA-N -1 3 406.847 3.141 40 0 HGABHM COc1cccc(CCC[N-]S(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000223575831 568552070 /nfs/dbraw/zinc/55/20/70/568552070.db2.gz MHKPWBGSYDBDLV-UHFFFAOYSA-N -1 3 414.321 3.377 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000223746456 568557994 /nfs/dbraw/zinc/55/79/94/568557994.db2.gz AWPQHCYNNPXKMC-UHFFFAOYSA-N -1 3 408.892 3.482 40 0 HGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(C)c(Cl)c2)c1 ZINC000224185138 568572908 /nfs/dbraw/zinc/57/29/08/568572908.db2.gz SVULFWNXIUNRNO-UHFFFAOYSA-N -1 3 418.298 3.446 40 0 HGABHM CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000225172642 568620391 /nfs/dbraw/zinc/62/03/91/568620391.db2.gz NYBDUEZZONXFEQ-GFCCVEGCSA-N -1 3 424.548 3.103 40 0 HGABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 ZINC000225219493 568624129 /nfs/dbraw/zinc/62/41/29/568624129.db2.gz AMEOKDDPQRBHTO-UHFFFAOYSA-N -1 3 417.487 3.239 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1N1C(=O)CCC1=O ZINC000225421731 568636526 /nfs/dbraw/zinc/63/65/26/568636526.db2.gz TUFOSDTYOMETTB-UHFFFAOYSA-N -1 3 408.863 3.111 40 0 HGABHM Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1cncc([N-]c2ncccn2)n1 ZINC000257260963 568793070 /nfs/dbraw/zinc/79/30/70/568793070.db2.gz LFFCXPCFFOTTPE-SFHVURJKSA-N -1 3 404.474 3.370 40 0 HGABHM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257301565 568804907 /nfs/dbraw/zinc/80/49/07/568804907.db2.gz RYZOCRWUCBAJMS-HNNXBMFYSA-N -1 3 422.464 3.323 40 0 HGABHM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257307581 568806802 /nfs/dbraw/zinc/80/68/02/568806802.db2.gz SZHMHXOWSPTKGW-OAHLLOKOSA-N -1 3 422.464 3.323 40 0 HGABHM O=S(=O)([N-]Cc1ccnc(N2CCCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000224212755 569056459 /nfs/dbraw/zinc/05/64/59/569056459.db2.gz WQACNTAKGUWZPF-UHFFFAOYSA-N -1 3 401.319 3.252 40 0 HGABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000007361946 569337372 /nfs/dbraw/zinc/33/73/72/569337372.db2.gz XGEDZJBGVQFSLW-MRXNPFEDSA-N -1 3 420.531 3.488 40 0 HGABHM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1 ZINC000010335843 569343996 /nfs/dbraw/zinc/34/39/96/569343996.db2.gz SVBWBGLDYLGGDS-AWEZNQCLSA-N -1 3 403.504 3.147 40 0 HGABHM Cc1cnc([N-]c2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)s1 ZINC000585293156 571309392 /nfs/dbraw/zinc/30/93/92/571309392.db2.gz YJRWAYDWFRPFBU-OZSKJFCKSA-N -1 3 423.546 3.712 40 0 HGABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000040399621 524433527 /nfs/dbraw/zinc/43/35/27/524433527.db2.gz DELLEZCTXOWFCX-INIZCTEOSA-N -1 3 421.432 3.334 40 0 HGABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)ccc1OCC ZINC000408585737 557489422 /nfs/dbraw/zinc/48/94/22/557489422.db2.gz IWWLFVALIUWGCB-UHFFFAOYSA-N -1 3 424.475 3.472 40 0 HGABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408605683 557517910 /nfs/dbraw/zinc/51/79/10/557517910.db2.gz NGOJLCBMQPJQLY-LLVKDONJSA-N -1 3 402.394 3.020 40 0 HGABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c(C)c1 ZINC000408610140 557533553 /nfs/dbraw/zinc/53/35/53/557533553.db2.gz VANHDDRNXVOFFN-UHFFFAOYSA-N -1 3 402.516 3.193 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000408617026 557543942 /nfs/dbraw/zinc/54/39/42/557543942.db2.gz CAKUHXRHLGFOFZ-VIFPVBQESA-N -1 3 421.277 3.447 40 0 HGABHM O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1cc(Cl)ccc1[O-] ZINC000005344596 557645770 /nfs/dbraw/zinc/64/57/70/557645770.db2.gz FQBZQPXSOQTUEY-UHFFFAOYSA-N -1 3 407.857 3.409 40 0 HGABHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1sc2nc3ccc(C(C)C)cc3cc2c1N ZINC000035288897 557673976 /nfs/dbraw/zinc/67/39/76/557673976.db2.gz WETGDVVGKLHPRG-UHFFFAOYSA-N -1 3 409.471 3.092 40 0 HGABHM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000030853437 558740458 /nfs/dbraw/zinc/74/04/58/558740458.db2.gz QFSJUIJWLDKABP-UHFFFAOYSA-N -1 3 409.895 3.102 40 0 HGABHM Cc1ccc([C@@H]2CCCN2C(=O)CC[C@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1C ZINC000019213726 558849496 /nfs/dbraw/zinc/84/94/96/558849496.db2.gz ZZQDSOAPDNHNKI-GBXCKJPGSA-N -1 3 405.498 3.482 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)COc1ccccc1 ZINC000056123108 558885133 /nfs/dbraw/zinc/88/51/33/558885133.db2.gz OCERBWBONGCXTR-LBPRGKRZSA-N -1 3 400.294 3.204 40 0 HGABHM COc1ccc(C2(C(=O)N[C@@H](c3cc(=O)[n-]c(-c4cccnc4)n3)C(C)C)CC2)cc1 ZINC000019445617 558885755 /nfs/dbraw/zinc/88/57/55/558885755.db2.gz JESNBWBZBMPAOF-OAQYLSRUSA-N -1 3 418.497 3.386 40 0 HGABHM CCc1nn(C)c(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)c2ccccc2)c1C ZINC000019521042 558902503 /nfs/dbraw/zinc/90/25/03/558902503.db2.gz NZSSHTFFEXZMFY-HXUWFJFHSA-N -1 3 419.529 3.356 40 0 HGABHM CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)no1 ZINC000019525341 558906731 /nfs/dbraw/zinc/90/67/31/558906731.db2.gz AEKPLOYCTUMCRT-LJQANCHMSA-N -1 3 413.522 3.257 40 0 HGABHM COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377930 558967200 /nfs/dbraw/zinc/96/72/00/558967200.db2.gz VNWUYGSCMYQTDA-LJQANCHMSA-N -1 3 404.474 3.315 40 0 HGABHM C[C@H](c1cc(=O)[n-]c(NCc2ccccc2Cl)n1)n1ncc2ccccc2c1=O ZINC000019717503 558980392 /nfs/dbraw/zinc/98/03/92/558980392.db2.gz QLPMOEXKJXQBGQ-CYBMUJFWSA-N -1 3 407.861 3.355 40 0 HGABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000100558863 559136455 /nfs/dbraw/zinc/13/64/55/559136455.db2.gz 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COc1cc(OC)cc(C(=O)[N-]n2c(Cc3cccs3)nc3ccccc3c2=O)c1 ZINC000013084197 560792753 /nfs/dbraw/zinc/79/27/53/560792753.db2.gz WDBREESPMWOLNE-UHFFFAOYSA-N -1 3 421.478 3.450 40 0 HGABHM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000014291504 560841111 /nfs/dbraw/zinc/84/11/11/560841111.db2.gz LXROIDYFCJFFEJ-UHFFFAOYSA-N -1 3 416.952 3.312 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(C)=O ZINC000016129512 560843728 /nfs/dbraw/zinc/84/37/28/560843728.db2.gz MXSKWFTZPHBNLI-UHFFFAOYSA-N -1 3 417.256 3.356 40 0 HGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 ZINC000222782935 568526407 /nfs/dbraw/zinc/52/64/07/568526407.db2.gz LBUBAGAMRINKNY-UHFFFAOYSA-N -1 3 400.551 3.300 40 0 HGABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Br)cc3)n2)c1 ZINC000223652678 568554999 /nfs/dbraw/zinc/55/49/99/568554999.db2.gz UFGBGGLKGGABPO-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000223717286 568557290 /nfs/dbraw/zinc/55/72/90/568557290.db2.gz OSWZJSQAEVZMNA-UHFFFAOYSA-N -1 3 406.287 3.498 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257269697 568795597 /nfs/dbraw/zinc/79/55/97/568795597.db2.gz MQZJCRKXNDQKRD-ZDUSSCGKSA-N -1 3 414.849 3.140 40 0 HGABHM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(Cl)c1[O-] ZINC000261361670 568819350 /nfs/dbraw/zinc/81/93/50/568819350.db2.gz BFMZLAFWIMYAFP-MRXNPFEDSA-O -1 3 403.871 3.199 40 0 HGABHM O=S(=O)([N-]Cc1nccc(N2CCCCC2)n1)c1cc(Cl)ccc1Cl ZINC000224165420 569053343 /nfs/dbraw/zinc/05/33/43/569053343.db2.gz NRCFTAASTQNWEP-UHFFFAOYSA-N -1 3 401.319 3.252 40 0 HGABHM Cc1c(CN2CCC[C@@](C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)[O-])C2)cnn1C ZINC000248077116 569316140 /nfs/dbraw/zinc/31/61/40/569316140.db2.gz ZFBVVSZQJNIHHX-KNQAVFIVSA-N -1 3 414.481 3.118 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1C ZINC000253562071 569317940 /nfs/dbraw/zinc/31/79/40/569317940.db2.gz CUSWWPCOKVHGEX-ZBFHGGJFSA-N -1 3 409.490 3.242 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253566869 569317957 /nfs/dbraw/zinc/31/79/57/569317957.db2.gz JMCYZXCSIDKDDH-IIAWOOMASA-N -1 3 409.490 3.322 40 0 HGABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)c1 ZINC000006024051 569329325 /nfs/dbraw/zinc/32/93/25/569329325.db2.gz FWKBCSWNUQNFLP-UHFFFAOYSA-N -1 3 420.531 3.106 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCCOC(C)C ZINC000007361794 569337370 /nfs/dbraw/zinc/33/73/70/569337370.db2.gz NJADNANDJONJQY-UHFFFAOYSA-N -1 3 420.531 3.106 40 0 HGABHM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000007361871 569337402 /nfs/dbraw/zinc/33/74/02/569337402.db2.gz FYGLYNPCAPLUCK-OAHLLOKOSA-N -1 3 406.504 3.098 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(CC)CC)c(C)c2)cc1 ZINC000007362042 569337424 /nfs/dbraw/zinc/33/74/24/569337424.db2.gz KCUUQYSCSDEQMR-UHFFFAOYSA-N -1 3 420.531 3.442 40 0 HGABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000139116156 569354530 /nfs/dbraw/zinc/35/45/30/569354530.db2.gz YTAPRQJTJUGENL-DLBZAZTESA-N -1 3 423.517 3.220 40 0 HGABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 ZINC000019886503 521684297 /nfs/dbraw/zinc/68/42/97/521684297.db2.gz HBQJOUVYSZHLKL-UHFFFAOYSA-N -1 3 422.528 3.427 40 0 HGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400387 523988475 /nfs/dbraw/zinc/98/84/75/523988475.db2.gz DAUAGSKGULVRSI-QGZVFWFLSA-N -1 3 417.469 3.449 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000044841962 525219686 /nfs/dbraw/zinc/21/96/86/525219686.db2.gz OQQLHZHKOBMORY-UHFFFAOYSA-N -1 3 421.906 3.200 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1SC ZINC000408621726 557547831 /nfs/dbraw/zinc/54/78/31/557547831.db2.gz LZFPZNWJEMAHEX-NSHDSACASA-N -1 3 414.936 3.376 40 0 HGABHM COC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1)CCCC2 ZINC000010112986 557855832 /nfs/dbraw/zinc/85/58/32/557855832.db2.gz XQRQVKWCVDWOAX-UHFFFAOYSA-N -1 3 422.528 3.346 40 0 HGABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)c(Cl)c1 ZINC000020492873 558379010 /nfs/dbraw/zinc/37/90/10/558379010.db2.gz DXJLUGVZUPBFNJ-UHFFFAOYSA-N -1 3 411.863 3.245 40 0 HGABHM Cc1cccc(CCC(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)n1 ZINC000013227629 558526973 /nfs/dbraw/zinc/52/69/73/558526973.db2.gz UIZUQBCOKMAVSE-UHFFFAOYSA-N -1 3 403.486 3.286 40 0 HGABHM CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000030861039 558741607 /nfs/dbraw/zinc/74/16/07/558741607.db2.gz SJPFMPNXDYOFDV-UHFFFAOYSA-N -1 3 423.922 3.350 40 0 HGABHM O=C(NCc1ccncc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030866957 558742736 /nfs/dbraw/zinc/74/27/36/558742736.db2.gz VQDSKYQQAROWQG-UHFFFAOYSA-N -1 3 401.875 3.466 40 0 HGABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000100969857 558822761 /nfs/dbraw/zinc/82/27/61/558822761.db2.gz CAUKAGFZMJWBNQ-FKBYEOEOSA-N -1 3 416.433 3.452 40 0 HGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000017784726 558827996 /nfs/dbraw/zinc/82/79/96/558827996.db2.gz ZWEYECKGSIUVIR-ACRUOGEOSA-N -1 3 401.422 3.141 40 0 HGABHM COc1cccc([C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2)c1 ZINC000019022986 558838181 /nfs/dbraw/zinc/83/81/81/558838181.db2.gz SQDRSAYMNPPIOK-GOSISDBHSA-N -1 3 417.512 3.178 40 0 HGABHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)cc1 ZINC000019135260 558846114 /nfs/dbraw/zinc/84/61/14/558846114.db2.gz NBXUYSNTFSOESZ-OAQYLSRUSA-N -1 3 419.529 3.487 40 0 HGABHM Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1C ZINC000019214120 558849404 /nfs/dbraw/zinc/84/94/04/558849404.db2.gz LDEHMACBURTFMO-PKOBYXMFSA-N -1 3 418.497 3.232 40 0 HGABHM Cc1nc(-c2ccc(C(=O)N3[C@@H]4CC[C@H]3Cc3c(=O)[n-]c(C)nc3C4)cc2)cs1 ZINC000019286332 558860448 /nfs/dbraw/zinc/86/04/48/558860448.db2.gz LRQSVAYPLVRQNP-DLBZAZTESA-N -1 3 406.511 3.282 40 0 HGABHM O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019400038 558882615 /nfs/dbraw/zinc/88/26/15/558882615.db2.gz UQOZCSYKHDNDFO-NRFANRHFSA-N -1 3 421.545 3.493 40 0 HGABHM CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019499785 558897888 /nfs/dbraw/zinc/89/78/88/558897888.db2.gz OQATWKUFUVPNCU-WMZOPIPTSA-N -1 3 424.545 3.111 40 0 HGABHM COc1ccc(C(=O)N2CCC(Nc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1 ZINC000019553058 558916171 /nfs/dbraw/zinc/91/61/71/558916171.db2.gz CUDAZZOWHDCQAO-UHFFFAOYSA-N -1 3 410.499 3.224 40 0 HGABHM Cc1nc(C)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)s1 ZINC000019560220 558921408 /nfs/dbraw/zinc/92/14/08/558921408.db2.gz KMCRGDIGCHQKFR-KRWDZBQOSA-N -1 3 407.499 3.347 40 0 HGABHM C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(C(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000072347269 558944289 /nfs/dbraw/zinc/94/42/89/558944289.db2.gz OMOBPWDJBRCLRH-KBPBESRZSA-N -1 3 422.451 3.373 40 0 HGABHM CCc1nnc([N-]c2cccc([C@H]3CCCN(CC(=O)N4CCCC4)C3)n2)s1 ZINC000072375946 558965001 /nfs/dbraw/zinc/96/50/01/558965001.db2.gz MRTROMBQUFZXLI-HNNXBMFYSA-N -1 3 400.552 3.041 40 0 HGABHM CCOc1ccc(CN2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[n-]n4c2=O)C3)cc1OC ZINC000100219497 559132170 /nfs/dbraw/zinc/13/21/70/559132170.db2.gz WPLSYMSMHCIONS-DLBZAZTESA-N -1 3 408.502 3.282 40 0 HGABHM CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)C4CCCC4)[n-]n3c2=O)C1 ZINC000100234086 559132658 /nfs/dbraw/zinc/13/26/58/559132658.db2.gz FDMNORQTKBYRFO-HXUWFJFHSA-N -1 3 411.550 3.445 40 0 HGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000100558868 559136461 /nfs/dbraw/zinc/13/64/61/559136461.db2.gz ZWEYECKGSIUVIR-HBMCJLEFSA-N -1 3 401.422 3.141 40 0 HGABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccnc2)cc1 ZINC000102873091 559153365 /nfs/dbraw/zinc/15/33/65/559153365.db2.gz PWQSEFAZOVLDGP-FKBYEOEOSA-N -1 3 415.449 3.450 40 0 HGABHM CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1[O-] ZINC000409097209 560675989 /nfs/dbraw/zinc/67/59/89/560675989.db2.gz LSOXNKDISRUIJL-YRNVUSSQSA-N -1 3 419.240 3.452 40 0 HGABHM CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1[O-] ZINC000409411950 560721714 /nfs/dbraw/zinc/72/17/14/560721714.db2.gz ODQVGKGYWGGVER-UHFFFAOYSA-N -1 3 411.487 3.360 40 0 HGABHM O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000018168854 560871345 /nfs/dbraw/zinc/87/13/45/560871345.db2.gz GSRVSUXGPRKRBJ-UHFFFAOYSA-N -1 3 420.517 3.262 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3nnc(N)s3)cc2)cc1Cl ZINC000222642447 568521922 /nfs/dbraw/zinc/52/19/22/568521922.db2.gz CZLARQDEYUXKMT-UHFFFAOYSA-N -1 3 410.908 3.462 40 0 HGABHM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccccc3Br)cc2oc1=O ZINC000223354021 568546214 /nfs/dbraw/zinc/54/62/14/568546214.db2.gz IYYYAYSZTFYXMG-UHFFFAOYSA-N -1 3 411.277 3.486 40 0 HGABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)cc2oc1=O ZINC000223360460 568546405 /nfs/dbraw/zinc/54/64/05/568546405.db2.gz JCMZIKUCWUTSOC-UHFFFAOYSA-N -1 3 401.271 3.400 40 0 HGABHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000223852924 568560943 /nfs/dbraw/zinc/56/09/43/568560943.db2.gz NPQJZQIACGJFNW-UHFFFAOYSA-N -1 3 406.287 3.368 40 0 HGABHM Cc1ccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1Cl ZINC000224163228 568572041 /nfs/dbraw/zinc/57/20/41/568572041.db2.gz LAVLQCWTGRVQGA-UHFFFAOYSA-N -1 3 417.314 3.482 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCOc2ccccc2Cl)cc1Cl ZINC000224411950 568580613 /nfs/dbraw/zinc/58/06/13/568580613.db2.gz NINVNZGONQFHLC-UHFFFAOYSA-N -1 3 403.287 3.174 40 0 HGABHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(N4CCN(C)CC4)cc3)ccc2c1 ZINC000225713952 568666884 /nfs/dbraw/zinc/66/68/84/568666884.db2.gz XTOJVXJUONCHRP-UHFFFAOYSA-N -1 3 411.527 3.401 40 0 HGABHM Cc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000225781757 568674490 /nfs/dbraw/zinc/67/44/90/568674490.db2.gz NVBNLMPKJAHZIE-UHFFFAOYSA-N -1 3 422.919 3.231 40 0 HGABHM COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(C)nc(=O)[n-]2)o1 ZINC000257248789 568789948 /nfs/dbraw/zinc/78/99/48/568789948.db2.gz JFEPZXLVKVMJIU-SFHVURJKSA-N -1 3 408.458 3.445 40 0 HGABHM CN(C)CCNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329042011 568974275 /nfs/dbraw/zinc/97/42/75/568974275.db2.gz SMLNWRLMYAQNNS-UHFFFAOYSA-N -1 3 419.316 3.112 40 0 HGABHM NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc([O-])c(F)c2)cc1 ZINC000225793645 569283815 /nfs/dbraw/zinc/28/38/15/569283815.db2.gz KBWGXOUNFAHMCC-UHFFFAOYSA-N -1 3 401.341 3.050 40 0 HGABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c(C)c1 ZINC000253567787 569317933 /nfs/dbraw/zinc/31/79/33/569317933.db2.gz KLIKKXGWJIKHGT-CABCVRRESA-N -1 3 409.490 3.242 40 0 HGABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C ZINC000006234994 569330207 /nfs/dbraw/zinc/33/02/07/569330207.db2.gz XPTFHVHBOMXGCD-UHFFFAOYSA-N -1 3 403.378 3.366 40 0 HGABHM Cc1c2cc(F)ccc2[nH]c1CN1CCc2c(=O)[n-]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184780 569344621 /nfs/dbraw/zinc/34/46/21/569344621.db2.gz BLVPILPYUBVKCQ-CQSZACIVSA-N -1 3 409.509 3.493 40 0 HGABHM Cc1nc(N2CCCCC2)[n-]c(=O)c1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000141525575 569354687 /nfs/dbraw/zinc/35/46/87/569354687.db2.gz XHQREEJDQOZUDK-UHFFFAOYSA-N -1 3 415.969 3.040 40 0 HGABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000018209274 569396680 /nfs/dbraw/zinc/39/66/80/569396680.db2.gz AIRJRZRRFRLGKT-UFYCRDLUSA-N -1 3 418.405 3.117 40 0 HGABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000044903302 521520871 /nfs/dbraw/zinc/52/08/71/521520871.db2.gz IYMHZGZKINZJEM-UHFFFAOYSA-N -1 3 422.890 3.444 40 0 HGABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000040390641 523031971 /nfs/dbraw/zinc/03/19/71/523031971.db2.gz DCJCPKWMUWTVKI-HOTGVXAUSA-N -1 3 423.517 3.220 40 0 HGABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399633 523990625 /nfs/dbraw/zinc/99/06/25/523990625.db2.gz JIYWCVLYFDFTJE-INIZCTEOSA-N -1 3 421.432 3.280 40 0 HGABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000408593635 557511274 /nfs/dbraw/zinc/51/12/74/557511274.db2.gz MWKVPFTVCIMHHY-JTQLQIEISA-N -1 3 403.287 3.308 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000408606905 557518786 /nfs/dbraw/zinc/51/87/86/557518786.db2.gz MOKDYZQWKONWFS-CABCVRRESA-N -1 3 424.950 3.153 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000408606908 557518852 /nfs/dbraw/zinc/51/88/52/557518852.db2.gz MOKDYZQWKONWFS-GJZGRUSLSA-N -1 3 424.950 3.153 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408601085 557521709 /nfs/dbraw/zinc/52/17/09/557521709.db2.gz FDQCDGGAZMVSMQ-HNNXBMFYSA-N -1 3 406.504 3.036 40 0 HGABHM Cc1cc(C(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1[N-]S(C)(=O)=O ZINC000010336791 557861127 /nfs/dbraw/zinc/86/11/27/557861127.db2.gz GRJXYYUIOUGYIK-UHFFFAOYSA-N -1 3 403.504 3.005 40 0 HGABHM CCCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009319 558318725 /nfs/dbraw/zinc/31/87/25/558318725.db2.gz XZZVWMDPNOBLTA-QGZVFWFLSA-N -1 3 424.950 3.155 40 0 HGABHM COc1cc2c(cc1CN1CCc3c(nc(-c4ccncc4)[n-]c3=O)C1)CCCC2 ZINC000012142897 558334968 /nfs/dbraw/zinc/33/49/68/558334968.db2.gz CLVJANXXSFIUDA-UHFFFAOYSA-N -1 3 402.498 3.278 40 0 HGABHM COc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000012256911 558362906 /nfs/dbraw/zinc/36/29/06/558362906.db2.gz HOHUESIWIWGNGK-SFHVURJKSA-N -1 3 404.470 3.202 40 0 HGABHM O=C1CC[C@H](/C=C/[C@@H](O)C(F)(F)c2ccccc2)N1CCCCCCc1nnn[n-]1 ZINC000038839082 558818233 /nfs/dbraw/zinc/81/82/33/558818233.db2.gz WPTLQOYLIXWRNN-SLKVGHROSA-N -1 3 419.476 3.003 40 0 in-vitro HGABHM O=C1CC[C@H](/C=C/[C@@H](O)C(F)(F)c2ccccc2)N1CCCCCCc1nn[n-]n1 ZINC000038839082 558818234 /nfs/dbraw/zinc/81/82/34/558818234.db2.gz WPTLQOYLIXWRNN-SLKVGHROSA-N -1 3 419.476 3.003 40 0 in-vitro HGABHM CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CC3CCCCC3)[n-]c2=O)C1 ZINC000019018923 558837292 /nfs/dbraw/zinc/83/72/92/558837292.db2.gz UOQORHSDCVCBNO-LJQANCHMSA-N -1 3 400.523 3.111 40 0 HGABHM Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000019083760 558840600 /nfs/dbraw/zinc/84/06/00/558840600.db2.gz FMVWMUNFAWVCRZ-INIZCTEOSA-N -1 3 406.490 3.253 40 0 HGABHM Cc1nc(C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000019285313 558859757 /nfs/dbraw/zinc/85/97/57/558859757.db2.gz MMQZAESOZGLDDX-MRXNPFEDSA-N -1 3 413.909 3.466 40 0 HGABHM COc1ccc(C2(C(=O)N[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C(C)C)CC2)cc1 ZINC000019445713 558885937 /nfs/dbraw/zinc/88/59/37/558885937.db2.gz RDQQFJPKXAQILN-OAQYLSRUSA-N -1 3 418.497 3.386 40 0 HGABHM CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)[n-]c(=O)n1 ZINC000019452476 558890394 /nfs/dbraw/zinc/89/03/94/558890394.db2.gz GZESUDMIXCLKFO-IBGZPJMESA-N -1 3 419.481 3.378 40 0 HGABHM CCOc1cc(CN2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)ccc1OC ZINC000019531906 558912087 /nfs/dbraw/zinc/91/20/87/558912087.db2.gz DJQCRVSTTDXOAY-GOSISDBHSA-N -1 3 406.486 3.229 40 0 HGABHM CCOc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019532817 558912816 /nfs/dbraw/zinc/91/28/16/558912816.db2.gz VDJCEPLRWIWYKE-UHFFFAOYSA-N -1 3 424.526 3.241 40 0 HGABHM COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(NCc3ccc(F)cc3)n2)CC1=O ZINC000019571103 558929940 /nfs/dbraw/zinc/92/99/40/558929940.db2.gz LNVRALVJRHNCHA-HNNXBMFYSA-N -1 3 408.433 3.050 40 0 HGABHM Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[n-]c(=O)c1Cc1ccccc1 ZINC000019579383 558934933 /nfs/dbraw/zinc/93/49/33/558934933.db2.gz BUCIKEXVRFMIPH-IBGZPJMESA-N -1 3 417.465 3.375 40 0 HGABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN3S(=O)(=O)c3ccccc3)n2)n1 ZINC000072376277 558965365 /nfs/dbraw/zinc/96/53/65/558965365.db2.gz PRHRAEADNVHRMC-SFHVURJKSA-N -1 3 410.503 3.153 40 0 HGABHM C[C@H](c1cc(=O)[n-]c(N[C@H]2CCOc3ccccc32)n1)n1ncc2ccccc2c1=O ZINC000019717486 558980136 /nfs/dbraw/zinc/98/01/36/558980136.db2.gz DVTBVCXVVQGGKE-KDOFPFPSSA-N -1 3 415.453 3.025 40 0 HGABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2)c1ccccc1 ZINC000100354648 559134323 /nfs/dbraw/zinc/13/43/23/559134323.db2.gz LOOKZQOQPJDIAB-FPOVZHCZSA-N -1 3 413.408 3.443 40 0 HGABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2)c1ccccc1 ZINC000100354642 559134345 /nfs/dbraw/zinc/13/43/45/559134345.db2.gz LOOKZQOQPJDIAB-TZIWHRDSSA-N -1 3 413.408 3.443 40 0 HGABHM Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)c1 ZINC000001329742 560573912 /nfs/dbraw/zinc/57/39/12/560573912.db2.gz WOYPWMSJNKLNSV-UHFFFAOYSA-N -1 3 418.500 3.147 40 0 HGABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2cc(C)ccc2C)c(C)c1C(=O)OC ZINC000005007052 560620651 /nfs/dbraw/zinc/62/06/51/560620651.db2.gz JCXIGRPLUJFKRR-UHFFFAOYSA-N -1 3 418.471 3.214 40 0 HGABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(Cl)cc1 ZINC000409144332 560684349 /nfs/dbraw/zinc/68/43/49/560684349.db2.gz JRAKJOJOMWGSKE-UHFFFAOYSA-N -1 3 407.706 3.242 40 0 HGABHM CCOc1cc(C(=S)N2C[C@@H](C)O[C@@H](C)C2)cc(I)c1[O-] ZINC000409253538 560703721 /nfs/dbraw/zinc/70/37/21/560703721.db2.gz ZMWNANTUVVRMRJ-AOOOYVTPSA-N -1 3 421.300 3.180 40 0 HGABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1cccc(C)c1 ZINC000008508651 560755061 /nfs/dbraw/zinc/75/50/61/560755061.db2.gz HTLRAWZTSXGBGS-UHFFFAOYSA-N -1 3 400.294 3.123 40 0 HGABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000005024926 568431439 /nfs/dbraw/zinc/43/14/39/568431439.db2.gz CAUKAGFZMJWBNQ-VSKRKVRLSA-N -1 3 416.433 3.452 40 0 HGABHM CCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000216419757 568465162 /nfs/dbraw/zinc/46/51/62/568465162.db2.gz NLQTUFNLQMMXTC-UHFFFAOYSA-N -1 3 409.895 3.104 40 0 HGABHM CCCSc1nnc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)s1 ZINC000222989592 568533351 /nfs/dbraw/zinc/53/33/51/568533351.db2.gz KNJPNRWXKJSTIW-UHFFFAOYSA-N -1 3 406.942 3.317 40 0 HGABHM Cc1ccc(C)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000223589415 568552532 /nfs/dbraw/zinc/55/25/32/568552532.db2.gz TVORCXLISVSQQV-AWEZNQCLSA-N -1 3 416.528 3.447 40 0 HGABHM Cc1ccccc1CS(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223639300 568554445 /nfs/dbraw/zinc/55/44/45/568554445.db2.gz MBBXOYDXFNTKOK-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM CCCc1ccc(OCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000224407391 568580408 /nfs/dbraw/zinc/58/04/08/568580408.db2.gz HAJKQIFCZSKTDN-UHFFFAOYSA-N -1 3 410.923 3.473 40 0 HGABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225311913 568629286 /nfs/dbraw/zinc/62/92/86/568629286.db2.gz AVWAULGNISLCSH-UHFFFAOYSA-N -1 3 402.472 3.020 40 0 HGABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 ZINC000225624319 568658186 /nfs/dbraw/zinc/65/81/86/568658186.db2.gz KEQGDZJNCQMIKJ-UHFFFAOYSA-N -1 3 416.499 3.492 40 0 HGABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)CC4(O)CCCCC4)CC3)n2)n1 ZINC000257265454 568794254 /nfs/dbraw/zinc/79/42/54/568794254.db2.gz LYSYRUGWWQGBFA-UHFFFAOYSA-N -1 3 424.549 3.418 40 0 HGABHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257269696 568795557 /nfs/dbraw/zinc/79/55/57/568795557.db2.gz MQZJCRKXNDQKRD-CYBMUJFWSA-N -1 3 414.849 3.140 40 0 HGABHM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000000912980 569321944 /nfs/dbraw/zinc/32/19/44/569321944.db2.gz LECMBOBJABEQBY-FCEWJHQRSA-N -1 3 408.376 3.108 40 0 HGABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(C)c2)cc1 ZINC000007361927 569337360 /nfs/dbraw/zinc/33/73/60/569337360.db2.gz UKRWPJDXKCAAGO-UHFFFAOYSA-N -1 3 418.515 3.196 40 0 HGABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccco1 ZINC000007361691 569337410 /nfs/dbraw/zinc/33/74/10/569337410.db2.gz FWWNXJDEUYNAQF-UHFFFAOYSA-N -1 3 400.456 3.084 40 0 HGABHM O=C(NCCN1CCCCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000026114332 569349938 /nfs/dbraw/zinc/34/99/38/569349938.db2.gz ZEVDCWFZVWLEMI-UHFFFAOYSA-N -1 3 407.561 3.155 40 0 HGABHM O=C(NC1CC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000058141655 569352331 /nfs/dbraw/zinc/35/23/31/569352331.db2.gz YQJHUTBJCRTWCB-MRXNPFEDSA-N -1 3 413.326 3.162 40 0 HGABHM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(Cl)c1[O-] ZINC000261361662 569413446 /nfs/dbraw/zinc/41/34/46/569413446.db2.gz BFMZLAFWIMYAFP-INIZCTEOSA-O -1 3 403.871 3.199 40 0 HGABHM COc1cc2cc3[nH]cc(S(=O)(=O)[N-]c4ccccc4Cl)n3c2cc1OC ZINC000032611955 523019763 /nfs/dbraw/zinc/01/97/63/523019763.db2.gz NUESRLYYDHASLU-UHFFFAOYSA-N -1 3 405.863 3.248 40 0 HGABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000040399758 524156499 /nfs/dbraw/zinc/15/64/99/524156499.db2.gz RFVZHEVCVBQSNM-HNNXBMFYSA-N -1 3 421.432 3.334 40 0 HGABHM COc1ccccc1OCC(=O)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000032100806 524658775 /nfs/dbraw/zinc/65/87/75/524658775.db2.gz OSOBBWATFVSCLD-SFHVURJKSA-N -1 3 400.397 3.494 40 0 HGABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040400365 525330652 /nfs/dbraw/zinc/33/06/52/525330652.db2.gz YWNUMAISZCVWII-MRXNPFEDSA-N -1 3 403.442 3.195 40 0 HGABHM COC(=O)C(CC(=O)Nc1ccc(C)cc1)=C([O-])C(=O)Nc1ccccc1C(C)C ZINC000001624507 557277242 /nfs/dbraw/zinc/27/72/42/557277242.db2.gz LIWDZMHYWVWDLL-SFHVURJKSA-N -1 3 410.470 3.444 40 0 HGABHM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408561311 557459767 /nfs/dbraw/zinc/45/97/67/557459767.db2.gz HPKZFNALVAPPPA-UHFFFAOYSA-N -1 3 400.859 3.185 40 0 HGABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006368719 557700349 /nfs/dbraw/zinc/70/03/49/557700349.db2.gz LFBTZFPIHXHNKL-UHFFFAOYSA-N -1 3 410.495 3.491 40 0 HGABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000020009345 558318972 /nfs/dbraw/zinc/31/89/72/558318972.db2.gz OSFPZXMEGGYZTQ-MRXNPFEDSA-N -1 3 424.950 3.153 40 0 HGABHM CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009330 558319024 /nfs/dbraw/zinc/31/90/24/558319024.db2.gz QSTWBWRHQWTXPZ-RHSMWYFYSA-N -1 3 424.950 3.153 40 0 HGABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCc1ccc(F)cc1 ZINC000020019946 558321175 /nfs/dbraw/zinc/32/11/75/558321175.db2.gz YILLZSYVVYQARR-UHFFFAOYSA-N -1 3 414.458 3.322 40 0 HGABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)c(C)c1 ZINC000037020528 558443003 /nfs/dbraw/zinc/44/30/03/558443003.db2.gz QPAZTEAZBWIQLF-UHFFFAOYSA-N -1 3 409.939 3.049 40 0 HGABHM COCc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1CCc1ccccc1 ZINC000022448750 558489940 /nfs/dbraw/zinc/48/99/40/558489940.db2.gz QUIRNEFBPLGIFR-UHFFFAOYSA-N -1 3 422.504 3.167 40 0 HGABHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCN(C)C)ccc2Cl)c1C ZINC000013669617 558561359 /nfs/dbraw/zinc/56/13/59/558561359.db2.gz FKZXXQUMFMHXTD-UHFFFAOYSA-N -1 3 409.939 3.049 40 0 HGABHM O=C([N-]c1nnc(CCOc2ccccc2Cl)s1)c1cnn2cccnc12 ZINC000036752230 558802672 /nfs/dbraw/zinc/80/26/72/558802672.db2.gz VYDWSRNFYJYNCG-UHFFFAOYSA-N -1 3 400.851 3.108 40 0 HGABHM CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019022313 558838096 /nfs/dbraw/zinc/83/80/96/558838096.db2.gz FBDWOHCAXMYMFH-UHFFFAOYSA-N -1 3 423.498 3.284 40 0 HGABHM O=S(=O)([N-]Cc1cccc(CN2CCOCC2)c1)c1cc(Cl)ccc1Cl ZINC000047266653 558841934 /nfs/dbraw/zinc/84/19/34/558841934.db2.gz DOBFYWGSIXWLKD-UHFFFAOYSA-N -1 3 415.342 3.304 40 0 HGABHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019135388 558846056 /nfs/dbraw/zinc/84/60/56/558846056.db2.gz OBIOWJSKRRUEJI-HXUWFJFHSA-N -1 3 420.513 3.153 40 0 HGABHM O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1F)C2 ZINC000019349396 558875230 /nfs/dbraw/zinc/87/52/30/558875230.db2.gz SGXKOPMQMRRSAI-NRFANRHFSA-N -1 3 424.520 3.321 40 0 HGABHM O=c1cc([C@H]2CCCN(Cc3c[nH]cc4c(Cl)nnc3-4)C2)nc(-c2ccccn2)[n-]1 ZINC000019402782 558884033 /nfs/dbraw/zinc/88/40/33/558884033.db2.gz QUYBINHGNVMINR-ZDUSSCGKSA-N -1 3 421.892 3.136 40 0 HGABHM CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)n(C)n1 ZINC000019452252 558890138 /nfs/dbraw/zinc/89/01/38/558890138.db2.gz YQSMRRFCJYVCAM-CQSZACIVSA-N -1 3 411.531 3.375 40 0 HGABHM CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019499782 558897799 /nfs/dbraw/zinc/89/77/99/558897799.db2.gz OQATWKUFUVPNCU-SJLPKXTDSA-N -1 3 424.545 3.111 40 0 HGABHM CCN(CC)c1ncc(CN2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)s1 ZINC000019526519 558907715 /nfs/dbraw/zinc/90/77/15/558907715.db2.gz JPCGJWRSPYGNBK-SFHVURJKSA-N -1 3 410.547 3.472 40 0 HGABHM CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)cc4)[n-]n3c(=O)c2C1 ZINC000100242907 559133166 /nfs/dbraw/zinc/13/31/66/559133166.db2.gz DEEFJNDLNXXGTC-QFIPXVFZSA-N -1 3 419.529 3.375 40 0 HGABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)Cc1ccccc1 ZINC000006762999 559215475 /nfs/dbraw/zinc/21/54/75/559215475.db2.gz OYEWYNLZLVEAIO-LBPRGKRZSA-N -1 3 401.315 3.319 40 0 HGABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)CC(C)C)CC2)[n-]c3=O)c1 ZINC000005737860 560627375 /nfs/dbraw/zinc/62/73/75/560627375.db2.gz CQQNJUYGTCNSDJ-UHFFFAOYSA-N -1 3 422.533 3.344 40 0 HGABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)cc(Cl)c1[O-] ZINC000409208608 560691951 /nfs/dbraw/zinc/69/19/51/560691951.db2.gz CUTVJPQNWZKGEL-ZROIWOOFSA-N -1 3 412.895 3.349 40 0 HGABHM COCCCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409240568 560700024 /nfs/dbraw/zinc/70/00/24/560700024.db2.gz GYJQQSXNHKWCNR-XYOKQWHBSA-N -1 3 402.266 3.236 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000222537961 568517691 /nfs/dbraw/zinc/51/76/91/568517691.db2.gz LIPUZWSXPYUCQY-UHFFFAOYSA-N -1 3 422.934 3.190 40 0 HGABHM Cc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000222657903 568522559 /nfs/dbraw/zinc/52/25/59/568522559.db2.gz ROIMYPMSBNXWET-UHFFFAOYSA-N -1 3 422.919 3.231 40 0 HGABHM O=C([O-])c1[nH]c(=O)n(-c2ccc(Oc3ccccc3)cc2)c(=O)c1CN1CCCCC1 ZINC000222673172 568523132 /nfs/dbraw/zinc/52/31/32/568523132.db2.gz AZFVFGBMIPPRNI-UHFFFAOYSA-N -1 3 421.453 3.002 40 0 HGABHM Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2c(F)cccc2F)s1 ZINC000223392788 568547318 /nfs/dbraw/zinc/54/73/18/568547318.db2.gz JXVPJOQKTLRNJZ-UHFFFAOYSA-N 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569344544 /nfs/dbraw/zinc/34/45/44/569344544.db2.gz OFXBUKIVVBFMIY-CQSZACIVSA-N -1 3 418.973 3.284 40 0 HGABHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)c1 ZINC000040399239 524154503 /nfs/dbraw/zinc/15/45/03/524154503.db2.gz NLFKERXZZYDOHQ-OAHLLOKOSA-N -1 3 403.442 3.195 40 0 HGABHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399338 527397495 /nfs/dbraw/zinc/39/74/95/527397495.db2.gz PCZHVMFSUDHOAR-AWEZNQCLSA-N -1 3 409.833 3.231 40 0 HGABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1OCC ZINC000408588075 557491656 /nfs/dbraw/zinc/49/16/56/557491656.db2.gz XFNCIXABJZLNHO-UHFFFAOYSA-N -1 3 421.475 3.413 40 0 HGABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1NC(C)=O ZINC000006316371 557699119 /nfs/dbraw/zinc/69/91/19/557699119.db2.gz XZZDMMGXZVDACU-UHFFFAOYSA-N -1 3 404.366 3.353 40 0 HGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2OC)c1 ZINC000027959719 558685134 /nfs/dbraw/zinc/68/51/34/558685134.db2.gz GQHXGYUJIGSZLV-LLVKDONJSA-N -1 3 413.879 3.183 40 0 HGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000027959715 558685197 /nfs/dbraw/zinc/68/51/97/558685197.db2.gz GQHXGYUJIGSZLV-NSHDSACASA-N -1 3 413.879 3.183 40 0 HGABHM CN1CC[C@@H](c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4Cl)oc2-3)[C@H](O)C1 ZINC000029416077 558714887 /nfs/dbraw/zinc/71/48/87/558714887.db2.gz BIIVYFLTOXDAOV-SJKOYZFVSA-N -1 3 401.846 3.305 40 0 in-vitro HGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(=O)[n-]1 ZINC000019285138 558859520 /nfs/dbraw/zinc/85/95/20/558859520.db2.gz PBSANUGNSTVLIY-KRWDZBQOSA-N -1 3 418.501 3.294 40 0 HGABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccc2F)cc(=O)[n-]1 ZINC000019285122 558859552 /nfs/dbraw/zinc/85/95/52/558859552.db2.gz HECYPVNBXQKKEE-HXUWFJFHSA-N -1 3 404.445 3.341 40 0 HGABHM O=C(CCc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019348620 558874545 /nfs/dbraw/zinc/87/45/45/558874545.db2.gz TWVHOIPGDYKYOR-UHFFFAOYSA-N -1 3 412.490 3.371 40 0 HGABHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000055555250 558882241 /nfs/dbraw/zinc/88/22/41/558882241.db2.gz BLQAECDTEFSLKI-UHFFFAOYSA-N -1 3 415.284 3.068 40 0 HGABHM O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019400041 558882638 /nfs/dbraw/zinc/88/26/38/558882638.db2.gz UQOZCSYKHDNDFO-OAQYLSRUSA-N -1 3 421.545 3.493 40 0 HGABHM CCOc1ncccc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(=O)[n-]c(C)n1 ZINC000019531530 558912260 /nfs/dbraw/zinc/91/22/60/558912260.db2.gz FCYDMLGTWCPLSJ-LJQANCHMSA-N -1 3 417.469 3.067 40 0 HGABHM COc1cc2c(cc1CN1CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC1)OCO2 ZINC000019550555 558915157 /nfs/dbraw/zinc/91/51/57/558915157.db2.gz UOFIWYIOQXVFRL-UHFFFAOYSA-N -1 3 420.469 3.361 40 0 HGABHM COc1ccc(CCC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[n-]2)cc1 ZINC000019554537 558917484 /nfs/dbraw/zinc/91/74/84/558917484.db2.gz SOEUMIMLGPTGKT-FQEVSTJZSA-N -1 3 404.470 3.137 40 0 HGABHM Cc1nn(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c(C)c1C ZINC000019556492 558919108 /nfs/dbraw/zinc/91/91/08/558919108.db2.gz LDIUJASPIRNCFO-SFHVURJKSA-N -1 3 411.531 3.374 40 0 HGABHM CN(C)c1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)cc1 ZINC000019584809 558938895 /nfs/dbraw/zinc/93/88/95/558938895.db2.gz NDPIXBSALSMEGO-OAQYLSRUSA-N -1 3 402.498 3.427 40 0 HGABHM COc1cccc([C@H]2c3ccccc3CCN2CC(=O)Nc2nc(C)cc(=O)[n-]2)c1 ZINC000019716008 558977486 /nfs/dbraw/zinc/97/74/86/558977486.db2.gz GDELFNHCLXXVSX-QFIPXVFZSA-N -1 3 404.470 3.085 40 0 HGABHM Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CCN(C(C)C)C4)cc1 ZINC000100234245 559132917 /nfs/dbraw/zinc/13/29/17/559132917.db2.gz HXJUBBNJTGNMBX-NRFANRHFSA-N -1 3 419.529 3.487 40 0 HGABHM N[C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc([N-]c3cnccn3)n2)CC1)c1ccccc1 ZINC000100708850 559138217 /nfs/dbraw/zinc/13/82/17/559138217.db2.gz UYJWXRUVRXCYAF-FVJLSDCUSA-N -1 3 417.517 3.100 40 0 HGABHM CN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)[N-]c2nccs2)c1 ZINC000006681028 560634102 /nfs/dbraw/zinc/63/41/02/560634102.db2.gz CMOWPNKPDRLFKJ-UHFFFAOYSA-N -1 3 407.542 3.320 40 0 HGABHM COc1ccc(N(C)S(=O)(=O)c2csc(C(=O)[N-]c3nccs3)c2)cc1 ZINC000006681327 560634305 /nfs/dbraw/zinc/63/43/05/560634305.db2.gz SDBPHUWQWHPRLH-UHFFFAOYSA-N -1 3 409.514 3.291 40 0 HGABHM CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1[O-] ZINC000409134257 560682139 /nfs/dbraw/zinc/68/21/39/560682139.db2.gz OLFIDYFFLIQGJJ-XYOKQWHBSA-N -1 3 402.266 3.236 40 0 HGABHM CCC(CC)C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[n-]2)CC1 ZINC000013083121 560792586 /nfs/dbraw/zinc/79/25/86/560792586.db2.gz NZZUXMTVEFQXBD-UHFFFAOYSA-N -1 3 422.533 3.426 40 0 HGABHM CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)CC1 ZINC000014154035 560839966 /nfs/dbraw/zinc/83/99/66/560839966.db2.gz BHIYXWSRTBQBHW-UHFFFAOYSA-N -1 3 415.559 3.190 40 0 HGABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000005023865 568431396 /nfs/dbraw/zinc/43/13/96/568431396.db2.gz BQIMYQISQAQYDN-VSKRKVRLSA-N -1 3 416.433 3.452 40 0 HGABHM O=S(=O)(Cc1ccc(Br)cc1)[N-]Cc1nc(-c2cccs2)no1 ZINC000223653152 568554997 /nfs/dbraw/zinc/55/49/97/568554997.db2.gz VOMLOOPXEDPGMQ-UHFFFAOYSA-N -1 3 414.306 3.180 40 0 HGABHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Br)c3)n2)cc1 ZINC000223655774 568555164 /nfs/dbraw/zinc/55/51/64/568555164.db2.gz LDYSDAIXWVYMPG-UHFFFAOYSA-N -1 3 422.304 3.427 40 0 HGABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 ZINC000223841830 568560596 /nfs/dbraw/zinc/56/05/96/568560596.db2.gz LWXHHZBTHXOFIQ-UHFFFAOYSA-N -1 3 418.254 3.367 40 0 HGABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3C)cc2)c1 ZINC000223865828 568561281 /nfs/dbraw/zinc/56/12/81/568561281.db2.gz HKTPKGROXKPNON-UHFFFAOYSA-N -1 3 419.890 3.099 40 0 HGABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000224454799 568581769 /nfs/dbraw/zinc/58/17/69/568581769.db2.gz OURYIVQNTUDTGR-AWEZNQCLSA-N -1 3 416.528 3.447 40 0 HGABHM CC(C)Oc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC000225922453 568686220 /nfs/dbraw/zinc/68/62/20/568686220.db2.gz KLPLTJTWLWRKIL-UHFFFAOYSA-N -1 3 408.495 3.450 40 0 HGABHM Cc1cc(OCC(=O)N2NC(C(F)(F)F)=C[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000059192147 568702088 /nfs/dbraw/zinc/70/20/88/568702088.db2.gz CTLWIIUIPCVHQS-GFCCVEGCSA-N -1 3 404.694 3.429 40 0 HGABHM Nc1nc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cc(=O)[n-]1 ZINC000257209195 568778657 /nfs/dbraw/zinc/77/86/57/568778657.db2.gz BPIRETCOUHQSLE-CYBMUJFWSA-N -1 3 413.865 3.016 40 0 HGABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(CC)CC)cc2)cc1 ZINC000033737458 569351204 /nfs/dbraw/zinc/35/12/04/569351204.db2.gz SEFMJWRPNOVWPR-UHFFFAOYSA-N -1 3 406.504 3.133 40 0 HGABHM CCCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009322 520671342 /nfs/dbraw/zinc/67/13/42/520671342.db2.gz XZZVWMDPNOBLTA-KRWDZBQOSA-N -1 3 424.950 3.155 40 0 HGABHM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408550826 557416978 /nfs/dbraw/zinc/41/69/78/557416978.db2.gz FNLJEJSIEUBCGQ-UHFFFAOYSA-N -1 3 416.421 3.411 40 0 HGABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408605691 557517848 /nfs/dbraw/zinc/51/78/48/557517848.db2.gz NGOJLCBMQPJQLY-NSHDSACASA-N -1 3 402.394 3.020 40 0 HGABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1C ZINC000408607784 557520309 /nfs/dbraw/zinc/52/03/09/557520309.db2.gz QLBUFTFCHPKTFQ-UHFFFAOYSA-N -1 3 401.257 3.057 40 0 HGABHM CCOc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408617497 557544088 /nfs/dbraw/zinc/54/40/88/557544088.db2.gz DAERFPHXMMJPJZ-LBPRGKRZSA-N -1 3 412.895 3.053 40 0 HGABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Cl ZINC000020112760 558336573 /nfs/dbraw/zinc/33/65/73/558336573.db2.gz CBDQQNIDXPVFNU-UHFFFAOYSA-N -1 3 421.906 3.200 40 0 HGABHM CCn1cc(CN2CCc3c(=O)[n-]c(-c4ccncc4)nc3C2)c2cc(OC)ccc21 ZINC000012222311 558356405 /nfs/dbraw/zinc/35/64/05/558356405.db2.gz ONLYTNSOMQKRDP-UHFFFAOYSA-N -1 3 415.497 3.373 40 0 HGABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1Cl ZINC000022514058 558493538 /nfs/dbraw/zinc/49/35/38/558493538.db2.gz USGVGDJWXHMMPR-UHFFFAOYSA-N -1 3 417.270 3.404 40 0 HGABHM CCOc1ccccc1/N=c1\scc(-c2ccc([O-])c(C(N)=O)c2)n1CCOC ZINC000014082979 558618357 /nfs/dbraw/zinc/61/83/57/558618357.db2.gz NJCWNQDBEMOBES-LNVKXUELSA-N -1 3 413.499 3.299 40 0 HGABHM CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000030871412 558743399 /nfs/dbraw/zinc/74/33/99/558743399.db2.gz HWKOYWZBLUWIKY-UHFFFAOYSA-N -1 3 423.922 3.350 40 0 HGABHM CC(C)(C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019081206 558839358 /nfs/dbraw/zinc/83/93/58/558839358.db2.gz BBUYTGZTVKWBJK-QGZVFWFLSA-N -1 3 414.550 3.050 40 0 HGABHM CC(C)(C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1 ZINC000019081208 558839435 /nfs/dbraw/zinc/83/94/35/558839435.db2.gz BBUYTGZTVKWBJK-KRWDZBQOSA-N -1 3 414.550 3.050 40 0 HGABHM CC(C)(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(CC1CC1)CC3 ZINC000019081383 558839615 /nfs/dbraw/zinc/83/96/15/558839615.db2.gz ZLOITSOAASLEFG-LJQANCHMSA-N -1 3 411.550 3.303 40 0 HGABHM Cc1ccc([C@@H]2CCCN2C(=O)CC[C@@]2(c3ccccc3)NC(=O)[N-]C2=O)cc1C ZINC000019213721 558849419 /nfs/dbraw/zinc/84/94/19/558849419.db2.gz ZZQDSOAPDNHNKI-RDPSFJRHSA-N -1 3 405.498 3.482 40 0 HGABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C3CCC3)[n-]c(=O)c2C1 ZINC000019238662 558857392 /nfs/dbraw/zinc/85/73/92/558857392.db2.gz MZERMQURYIAMIX-SFHVURJKSA-N -1 3 412.559 3.162 40 0 HGABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(C)C)no2)cc(=O)[n-]1 ZINC000019285144 558859799 /nfs/dbraw/zinc/85/97/99/558859799.db2.gz KCDWENOOFLCCOE-SFHVURJKSA-N -1 3 405.458 3.385 40 0 HGABHM Cc1nccn1CCCC(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1 ZINC000019288088 558861243 /nfs/dbraw/zinc/86/12/43/558861243.db2.gz YVNWBQKBAOJUKE-MRXNPFEDSA-N -1 3 411.531 3.190 40 0 HGABHM O=c1[n-]c(-c2ccncc2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000019334450 558869384 /nfs/dbraw/zinc/86/93/84/558869384.db2.gz OWOKTMXEVOPUGE-UHFFFAOYSA-N -1 3 402.376 3.289 40 0 HGABHM O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019337596 558870554 /nfs/dbraw/zinc/87/05/54/558870554.db2.gz UXTWBYYHJOAFPQ-HXUWFJFHSA-N -1 3 407.518 3.245 40 0 HGABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019342821 558872227 /nfs/dbraw/zinc/87/22/27/558872227.db2.gz PTDQZZYKYTZHSZ-SFHVURJKSA-N -1 3 412.559 3.500 40 0 HGABHM C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(C(F)(F)F)cc2)C3)C[C@@H](C)O1 ZINC000019497583 558896336 /nfs/dbraw/zinc/89/63/36/558896336.db2.gz OMOBPWDJBRCLRH-ZIAGYGMSSA-N -1 3 422.451 3.373 40 0 HGABHM CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(OC)cc2)C3)C1 ZINC000019499770 558897853 /nfs/dbraw/zinc/89/78/53/558897853.db2.gz YHSFSNKPAFHTEL-SJLPKXTDSA-N -1 3 424.545 3.111 40 0 HGABHM CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)cc1 ZINC000019532937 558912885 /nfs/dbraw/zinc/91/28/85/558912885.db2.gz RVDLXTIURWTWEA-OAQYLSRUSA-N -1 3 424.545 3.254 40 0 HGABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCC1CCCC1 ZINC000071980694 558917574 /nfs/dbraw/zinc/91/75/74/558917574.db2.gz SHMHWJOHYRBUHW-FQEVSTJZSA-N -1 3 400.519 3.261 40 0 HGABHM COc1ccccc1CCC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)cc(=O)[n-]1 ZINC000019569855 558928637 /nfs/dbraw/zinc/92/86/37/558928637.db2.gz IOMLVGMPUSOXND-IBGZPJMESA-N -1 3 404.470 3.137 40 0 HGABHM Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[n-]c(=O)c1Cc1ccccc1 ZINC000019579386 558934925 /nfs/dbraw/zinc/93/49/25/558934925.db2.gz BUCIKEXVRFMIPH-LJQANCHMSA-N -1 3 417.465 3.375 40 0 HGABHM CN(C)c1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2)cc1 ZINC000019584807 558938874 /nfs/dbraw/zinc/93/88/74/558938874.db2.gz NDPIXBSALSMEGO-NRFANRHFSA-N -1 3 402.498 3.427 40 0 HGABHM CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000019586233 558939501 /nfs/dbraw/zinc/93/95/01/558939501.db2.gz SFRLJTPHXQWCFW-QGZVFWFLSA-N -1 3 406.461 3.108 40 0 HGABHM CCOc1cc(CN2CCc3c(nc(N4CCC(C)CC4)[n-]c3=O)C2)ccc1OC ZINC000072347359 558944505 /nfs/dbraw/zinc/94/45/05/558944505.db2.gz WTHOJBAJVXHZGT-UHFFFAOYSA-N -1 3 412.534 3.384 40 0 HGABHM CC(C)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C4CCCCC4)[n-]n3c2=O)C1 ZINC000100234255 559132831 /nfs/dbraw/zinc/13/28/31/559132831.db2.gz RKVLJOXKSMJJFS-FQEVSTJZSA-N -1 3 411.550 3.445 40 0 HGABHM O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000137297189 559279691 /nfs/dbraw/zinc/27/96/91/559279691.db2.gz PCUSDWOWWMMXAV-UHFFFAOYSA-N -1 3 402.497 3.429 40 0 HGABHM O=C(C1CCCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000004862000 560614100 /nfs/dbraw/zinc/61/41/00/560614100.db2.gz NSXQFSNHSDJYRP-SFHVURJKSA-N -1 3 420.517 3.262 40 0 HGABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000409054821 560671408 /nfs/dbraw/zinc/67/14/08/560671408.db2.gz BSNCGDZTTLNSFR-FNFWKMNBSA-N -1 3 400.397 3.132 40 0 HGABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000409377740 560718170 /nfs/dbraw/zinc/71/81/70/560718170.db2.gz 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