smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000032109743 527081292 /nfs/dbraw/zinc/08/12/92/527081292.db2.gz WCCNPLFRSOBQKM-ZROIWOOFSA-N -1 0 424.625 3.406 40 10 HGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3c(C)cc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000408527533 557290192 /nfs/dbraw/zinc/29/01/92/557290192.db2.gz FZTOVDUTBNWESS-LFIBNONCSA-N -1 0 424.413 3.189 40 10 HGCBRM Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3)C2=O)ccc1Br ZINC000408528103 557296450 /nfs/dbraw/zinc/29/64/50/557296450.db2.gz FFHLUKMLIRNLPC-NTEUORMPSA-N -1 0 416.231 3.042 40 10 HGCBRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S ZINC000005372000 557648116 /nfs/dbraw/zinc/64/81/16/557648116.db2.gz AVOXSUIGDGAQLV-HOXUKUGESA-N -1 0 411.501 3.254 40 10 HGCBRM CCC[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000005374980 557648836 /nfs/dbraw/zinc/64/88/36/557648836.db2.gz GEEPSYLCSXHXHC-MLNOSXEOSA-N -1 0 418.540 3.204 40 10 HGCBRM CC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000005374994 557648882 /nfs/dbraw/zinc/64/88/82/557648882.db2.gz AQOMSKUIBKFEAI-NMYGKSDESA-N -1 0 418.540 3.204 40 10 HGCBRM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(C4CCCC4)C3=O)o2)c(C)c1 ZINC000408692445 557709098 /nfs/dbraw/zinc/70/90/98/557709098.db2.gz MROBKJDHIUVZSQ-LDADJPATSA-N -1 0 422.437 3.446 40 10 HGCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)cc1O ZINC000408722404 557769631 /nfs/dbraw/zinc/76/96/31/557769631.db2.gz IGNDOQVRNLLANZ-VZUCSPMQSA-N -1 0 409.250 3.236 40 10 HGCBRM Cn1c(=O)c(C2=NNC(=O)C2=Cc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000100260863 559133475 /nfs/dbraw/zinc/13/34/75/559133475.db2.gz GLNWORBFLMPWGA-JYRVWZFOSA-N -1 0 414.248 3.468 40 10 HGCBRM COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000044154288 559167629 /nfs/dbraw/zinc/16/76/29/559167629.db2.gz AXWYRWGNHBRPOS-RIYZIHGNSA-N -1 0 403.437 3.019 40 10 HGCBRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000033589865 559217057 /nfs/dbraw/zinc/21/70/57/559217057.db2.gz HSARELGCURJBEA-UROBUVALSA-N -1 0 424.569 3.195 40 10 HGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 ZINC000408788308 560641796 /nfs/dbraw/zinc/64/17/96/560641796.db2.gz CDUOQKWFOFUEAV-UDWIEESQSA-N -1 0 416.437 3.164 40 10 HGCBRM COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408806490 560642568 /nfs/dbraw/zinc/64/25/68/560642568.db2.gz DZNMPGLQHMQTQJ-UHFFFAOYSA-N -1 0 421.236 3.330 40 10 HGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC ZINC000408802997 560642806 /nfs/dbraw/zinc/64/28/06/560642806.db2.gz KEDWIEMTZKLEFG-OQLLNIDSSA-N -1 0 400.818 3.414 40 10 HGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1O ZINC000408885911 560649893 /nfs/dbraw/zinc/64/98/93/560649893.db2.gz GQWNFQFOFROGIV-RIYZIHGNSA-N -1 0 400.818 3.419 40 10 HGCBRM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408897791 560651539 /nfs/dbraw/zinc/65/15/39/560651539.db2.gz UAZKSMRHAHXHMU-UHFFFAOYSA-N -1 0 414.845 3.294 40 10 HGCBRM CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408949305 560657221 /nfs/dbraw/zinc/65/72/21/560657221.db2.gz ARXAPOPWQSHSKE-HMMYKYKNSA-N -1 0 416.506 3.375 40 10 HGCBRM COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl ZINC000409045294 560669323 /nfs/dbraw/zinc/66/93/23/560669323.db2.gz GASFKJBSSGMALI-WUXMJOGZSA-N -1 0 407.209 3.374 40 10 HGCBRM CCCN1C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)NC1=S ZINC000409086925 560674844 /nfs/dbraw/zinc/67/48/44/560674844.db2.gz BTWLBQSHQVMEQL-POHAHGRESA-N -1 0 420.126 3.385 40 10 HGCBRM COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188200 560688128 /nfs/dbraw/zinc/68/81/28/560688128.db2.gz XKGWUMLOAKQFTC-OQLLNIDSSA-N -1 0 401.465 3.461 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccn1 ZINC000409246418 560701540 /nfs/dbraw/zinc/70/15/40/560701540.db2.gz ICSZOYUMEBVFJX-FOWTUZBSSA-N -1 0 404.401 3.295 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409394191 560719597 /nfs/dbraw/zinc/71/95/97/560719597.db2.gz WYHHWFUIKNKCRG-YBFXNURJSA-N -1 0 404.401 3.295 40 10 HGCBRM CN1C(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)NC1=S ZINC000016188913 560859393 /nfs/dbraw/zinc/85/93/93/560859393.db2.gz PGUKAJICCPJKBH-RIYZIHGNSA-N -1 0 409.423 3.078 40 10 HGCBRM COc1cc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc(OC)c1OC ZINC000035043413 568836184 /nfs/dbraw/zinc/83/61/84/568836184.db2.gz GDOVXJCIPCHFCG-MHWRWJLKSA-N -1 0 414.439 3.493 40 10 HGCBRM COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000001186251 132241013 /nfs/dbraw/zinc/24/10/13/132241013.db2.gz ISMFLEZCVOEHIO-GDNBJRDFSA-N -1 0 417.284 3.289 40 10 HGCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O ZINC000002773510 132257735 /nfs/dbraw/zinc/25/77/35/132257735.db2.gz PEMHJJPBCXPGKK-LFYBBSHMSA-N -1 0 407.209 3.374 40 10 HGCBRM CCOc1ccc(N2C(=O)/C(=C/N3CCCc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000005511862 132306383 /nfs/dbraw/zinc/30/63/83/132306383.db2.gz DYUNZRLAFTWBDJ-NBVRZTHBSA-N -1 0 407.495 3.170 40 10 HGCBRM Cc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408595705 557513455 /nfs/dbraw/zinc/51/34/55/557513455.db2.gz RCOFZRLKYXQENQ-UUASQNMZSA-N -1 0 408.241 3.378 40 10 HGCBRM CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)[O-] ZINC000005374981 557648885 /nfs/dbraw/zinc/64/88/85/557648885.db2.gz GEEPSYLCSXHXHC-IRCDBNSBSA-N -1 0 418.540 3.204 40 10 HGCBRM CCCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000408799803 560642243 /nfs/dbraw/zinc/64/22/43/560642243.db2.gz LKCGCLDDOJLPNW-LDADJPATSA-N -1 0 410.426 3.159 40 10 HGCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC ZINC000408857147 560647448 /nfs/dbraw/zinc/64/74/48/560647448.db2.gz LDWNANAXIQSSCE-NTUHNPAUSA-N -1 0 404.781 3.163 40 10 HGCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1F ZINC000408867168 560648550 /nfs/dbraw/zinc/64/85/50/560648550.db2.gz JEPBRYYFINQATL-UHFFFAOYSA-N -1 0 402.809 3.218 40 10 HGCBRM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Cc1ccccc1Cl ZINC000408876749 560649446 /nfs/dbraw/zinc/64/94/46/560649446.db2.gz NELJOFMTRQFWPS-UHFFFAOYSA-N -1 0 405.237 3.342 40 10 HGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3O)C2=O)c1C ZINC000408900216 560651178 /nfs/dbraw/zinc/65/11/78/560651178.db2.gz UCIPOTYLCHYYKO-NTEUORMPSA-N -1 0 415.243 3.438 40 10 HGCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccccc1C ZINC000408923791 560654847 /nfs/dbraw/zinc/65/48/47/560654847.db2.gz KCLGFMXWRCMGDC-UHFFFAOYSA-N -1 0 414.845 3.376 40 10 HGCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)C(=O)N1 ZINC000409044392 560669278 /nfs/dbraw/zinc/66/92/78/560669278.db2.gz BTJGBFULRUKWAV-UHFFFAOYSA-N -1 0 409.200 3.461 40 10 HGCBRM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409082728 560674018 /nfs/dbraw/zinc/67/40/18/560674018.db2.gz QUZMTNGIQTUUBN-UHFFFAOYSA-N -1 0 421.287 3.155 40 10 HGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1C ZINC000409137872 560682787 /nfs/dbraw/zinc/68/27/87/560682787.db2.gz WZTMCXQFEDWYIY-LFIBNONCSA-N -1 0 410.495 3.460 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409198458 560690857 /nfs/dbraw/zinc/69/08/57/560690857.db2.gz AUYBGUAAIRLTBG-LSCADSNKSA-N -1 0 409.511 3.115 40 10 HGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C1=O ZINC000409223500 560698916 /nfs/dbraw/zinc/69/89/16/560698916.db2.gz ZSNGCTLPMYGAHU-DTQAZKPQSA-N -1 0 423.444 3.491 40 10 HGCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)c1 ZINC000409236976 560699329 /nfs/dbraw/zinc/69/93/29/560699329.db2.gz HLYBPOMDNLRHRE-XYOKQWHBSA-N -1 0 405.273 3.490 40 10 HGCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)o1 ZINC000409248337 560701874 /nfs/dbraw/zinc/70/18/74/560701874.db2.gz PXZAXKYZGWDNPN-LICLKQGHSA-N -1 0 418.365 3.225 40 10 HGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1C ZINC000409241332 560702306 /nfs/dbraw/zinc/70/23/06/560702306.db2.gz RGOZVVUWQHSRFW-LFIBNONCSA-N -1 0 410.495 3.460 40 10 HGCBRM O=C([O-])COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409346671 560713068 /nfs/dbraw/zinc/71/30/68/560713068.db2.gz NITBIPGAHKLCEJ-DHDCSXOGSA-N -1 0 416.436 3.464 40 10 HGCBRM CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000106742395 560745998 /nfs/dbraw/zinc/74/59/98/560745998.db2.gz BMJCXPUXGIEPMR-DHDCSXOGSA-N -1 0 401.396 3.244 40 10 HGCBRM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000113838500 560805374 /nfs/dbraw/zinc/80/53/74/560805374.db2.gz DIENCGAAAQJJCF-UHFFFAOYSA-N -1 0 421.236 3.330 40 10 HGCBRM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)cc1C ZINC000013562082 560815873 /nfs/dbraw/zinc/81/58/73/560815873.db2.gz QNPXYRSKQKEITE-NSIKDUERSA-N -1 0 415.243 3.256 40 10 HGCBRM COc1cc(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O ZINC000059104708 568700530 /nfs/dbraw/zinc/70/05/30/568700530.db2.gz ILCIFFUBYWVYOP-LFYBBSHMSA-N -1 0 416.773 3.290 40 10 HGCBRM Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000059305941 568705065 /nfs/dbraw/zinc/70/50/65/568705065.db2.gz UXMCVUGDXBESFC-UHFFFAOYSA-N -1 0 415.243 3.086 40 10 HGCBRM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1I ZINC000059475161 568707051 /nfs/dbraw/zinc/70/70/51/568707051.db2.gz VICRICGSXXZHJU-UKTHLTGXSA-N -1 0 424.625 3.406 40 10 HGCBRM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S ZINC000054361132 569072204 /nfs/dbraw/zinc/07/22/04/569072204.db2.gz OTEBQRBFOSVSMA-GFAPJHNFSA-N -1 0 405.526 3.037 40 10 HGCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000110146252 569353684 /nfs/dbraw/zinc/35/36/84/569353684.db2.gz UPRYDYMDZPHTKZ-XFFZJAGNSA-N -1 0 424.638 3.270 40 10 HGCBRM C#CCOc1c(CC=C)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC ZINC000107792410 569361133 /nfs/dbraw/zinc/36/11/33/569361133.db2.gz YBKXHHOAEQCDKG-HKWRFOASSA-N -1 0 402.450 3.287 40 10 HGCBRM Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1/N=N\c1ccccc1[N+](=O)[O-] ZINC000084460235 571305812 /nfs/dbraw/zinc/30/58/12/571305812.db2.gz JJVRPICUGFLOHL-HNENSFHCSA-N -1 0 404.433 3.850 40 10 HGCBRM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1 ZINC000001193156 557237038 /nfs/dbraw/zinc/23/70/38/557237038.db2.gz IMQCSEYDCJTRHM-LFIBNONCSA-N -1 0 415.243 3.087 40 10 HGCBRM Cc1ccc(NC(=S)N/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1C ZINC000408526221 557287480 /nfs/dbraw/zinc/28/74/80/557287480.db2.gz BCVVMBRWVUMWTC-LFIBNONCSA-N -1 0 408.483 3.065 40 10 HGCBRM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408531547 557305848 /nfs/dbraw/zinc/30/58/48/557305848.db2.gz KSOSTCYBETZJKN-CSKARUKUSA-N -1 0 421.196 3.480 40 10 HGCBRM O=C(Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O)c1ccco1 ZINC000408532975 557316131 /nfs/dbraw/zinc/31/61/31/557316131.db2.gz IXUCEWHNCFDPFP-OWBHPGMISA-N -1 0 420.352 3.304 40 10 HGCBRM CC(=O)Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000408537095 557337195 /nfs/dbraw/zinc/33/71/95/557337195.db2.gz ZCPBCJLFYDQCCQ-CPNJWEJPSA-N -1 0 414.421 3.377 40 10 HGCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408549629 557396327 /nfs/dbraw/zinc/39/63/27/557396327.db2.gz VXXCJIYFEFWPGN-OQLLNIDSSA-N -1 0 416.886 3.497 40 10 HGCBRM COc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408551174 557422656 /nfs/dbraw/zinc/42/26/56/557422656.db2.gz LXOZMJYWBVNSBP-LUAWRHEFSA-N -1 0 405.838 3.231 40 10 HGCBRM CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-] ZINC000005552903 557661489 /nfs/dbraw/zinc/66/14/89/557661489.db2.gz VIHLWYUSLNOLTE-NCWWNVCXSA-N -1 0 420.556 3.202 40 10 HGCBRM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O ZINC000016321841 558786150 /nfs/dbraw/zinc/78/61/50/558786150.db2.gz VXJSNIWKLPOXQJ-NVNXTCNLSA-N -1 0 420.343 3.101 40 10 HGCBRM Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408757886 558787970 /nfs/dbraw/zinc/78/79/70/558787970.db2.gz ROYNXJQSMUROGX-MOSHPQCFSA-N -1 0 400.438 3.464 40 10 HGCBRM C[C@@H](NC(=O)c1ccc(Nc2nncc(=O)[n-]2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000019719197 558982951 /nfs/dbraw/zinc/98/29/51/558982951.db2.gz WYRQGXWZGMQUNK-MRXNPFEDSA-N -1 0 418.501 3.390 40 10 HGCBRM Cn1c(=O)c(C2=NNC(=O)C2=CNc2cccc3ccccc32)c([O-])c2ccccc21 ZINC000100261079 559133483 /nfs/dbraw/zinc/13/34/83/559133483.db2.gz HHZAKNPPGIHBPR-LGMDPLHJSA-N -1 0 410.433 3.227 40 10 HGCBRM COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000102728076 559152164 /nfs/dbraw/zinc/15/21/64/559152164.db2.gz XOKDJJLUVGFNIQ-ODDCISTRSA-N -1 0 418.496 3.265 40 10 HGCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408805623 560643333 /nfs/dbraw/zinc/64/33/33/560643333.db2.gz BCJMBHBDUMOECH-UHFFFAOYSA-N -1 0 414.845 3.376 40 10 HGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c(OC)c1 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O=C([N-]N1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000016672869 558798702 /nfs/dbraw/zinc/79/87/02/558798702.db2.gz KBIBGYNBPJGXHP-NTEUORMPSA-N -1 0 403.416 3.280 40 10 HGCBRM Cn1c(=O)c(C2=NNC(=O)C2=CNc2ccc3ccccc3c2)c([O-])c2ccccc21 ZINC000100261037 559133489 /nfs/dbraw/zinc/13/34/89/559133489.db2.gz PFUNGKGNQMEEJL-AQTBWJFISA-N -1 0 410.433 3.227 40 10 HGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(Cl)cc3)C2=O)cc1C ZINC000100947690 559142161 /nfs/dbraw/zinc/14/21/61/559142161.db2.gz IUDOIJOLDCEZNJ-MHWRWJLKSA-N -1 0 412.833 3.245 40 10 HGCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)c1 ZINC000408784775 560641383 /nfs/dbraw/zinc/64/13/83/560641383.db2.gz XGYKESQFLCDELV-DHDCSXOGSA-N -1 0 400.818 3.414 40 10 HGCBRM CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408848985 560647030 /nfs/dbraw/zinc/64/70/30/560647030.db2.gz XOFREFCUNQAUJM-RQZCQDPDSA-N -1 0 408.410 3.117 40 10 HGCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408934462 560655872 /nfs/dbraw/zinc/65/58/72/560655872.db2.gz AXQNFEYEPVXXPI-XNTDXEJSSA-N -1 0 415.789 3.313 40 10 HGCBRM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408953069 560657112 /nfs/dbraw/zinc/65/71/12/560657112.db2.gz OEPUBQPWGQESRC-XSFVSMFZSA-N -1 0 417.421 3.161 40 10 HGCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000408961323 560658193 /nfs/dbraw/zinc/65/81/93/560658193.db2.gz RNOGBJSKJGIDMH-XSFVSMFZSA-N -1 0 405.454 3.352 40 10 HGCBRM CCN1C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)N(CC)C1=S ZINC000408961569 560658354 /nfs/dbraw/zinc/65/83/54/560658354.db2.gz NHUDDVYCOXMRFF-UHFFFAOYSA-N -1 0 412.467 3.332 40 10 HGCBRM COc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1OCC(=O)[O-] ZINC000409197788 560690735 /nfs/dbraw/zinc/69/07/35/560690735.db2.gz OYBYEWBDULRHRN-OQLLNIDSSA-N -1 0 418.496 3.114 40 10 HGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2F)C1=O ZINC000409227138 560698171 /nfs/dbraw/zinc/69/81/71/560698171.db2.gz PGAGSIKSWSDVBF-GHRIWEEISA-N -1 0 423.444 3.491 40 10 HGCBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC ZINC000409222921 560698920 /nfs/dbraw/zinc/69/89/20/560698920.db2.gz YERNMCRDEKYBED-NTEUORMPSA-N -1 0 416.886 3.497 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409248774 560701811 /nfs/dbraw/zinc/70/18/11/560701811.db2.gz QLEDDJCKTCNSEI-WOJGMQOQSA-N -1 0 404.401 3.295 40 10 HGCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409248806 560701851 /nfs/dbraw/zinc/70/18/51/560701851.db2.gz QXMHPTSFVVXKHT-MHWRWJLKSA-N -1 0 418.365 3.225 40 10 HGCBRM CC(=O)Nc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000409327090 560709611 /nfs/dbraw/zinc/70/96/11/560709611.db2.gz HTQNMQYVOSCCKJ-ZROIWOOFSA-N -1 0 403.510 3.253 40 10 HGCBRM CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C(=O)[N-]C2=S)cc1 ZINC000409376025 560716356 /nfs/dbraw/zinc/71/63/56/560716356.db2.gz SKAASEHETXRABD-VGOFMYFVSA-N -1 0 414.870 3.462 40 10 HGCBRM O=C([O-])CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000008419522 560755163 /nfs/dbraw/zinc/75/51/63/560755163.db2.gz GSLXTSIGJQSWMB-GXDHUFHOSA-N -1 0 403.441 3.061 40 10 HGCBRM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000004623643 560898685 /nfs/dbraw/zinc/89/86/85/560898685.db2.gz FKCUFGDZFCIEGA-WJONJSRFSA-N -1 0 406.438 3.446 40 10 HGCBRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000028296865 568784011 /nfs/dbraw/zinc/78/40/11/568784011.db2.gz DWOPJAUQFVKYCI-RSYJBZMQSA-N -1 0 402.453 3.206 40 10 HGCBRM CC[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107931218 569361028 /nfs/dbraw/zinc/36/10/28/569361028.db2.gz AVFAGHOXUPNGJK-ATTDUZETSA-N -1 0 411.414 3.242 40 10 HGCBRM CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000107974822 569361193 /nfs/dbraw/zinc/36/11/93/569361193.db2.gz JYPLHTSXLKNZDT-YYTPVVGHSA-N -1 0 414.845 3.132 40 10 HGCBRM 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ZINC000101124714 559167598 /nfs/dbraw/zinc/16/75/98/559167598.db2.gz BQGIIWMOZOIYKO-LCYFTJDESA-N -1 0 400.778 3.135 40 10 HGCBRM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)c(OC)cc1Cl ZINC000408767904 560630188 /nfs/dbraw/zinc/63/01/88/560630188.db2.gz QWOMTNCPKFVILH-KPKJPENVSA-N -1 0 404.781 3.163 40 10 HGCBRM COc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000408806651 560642571 /nfs/dbraw/zinc/64/25/71/560642571.db2.gz ARXRBYMXXFDEOT-LDADJPATSA-N -1 0 405.479 3.327 40 10 HGCBRM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408815977 560644433 /nfs/dbraw/zinc/64/44/33/560644433.db2.gz SBDSIOKWUUCJRI-LDADJPATSA-N -1 0 417.377 3.423 40 10 HGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)c1C ZINC000409022640 560667054 /nfs/dbraw/zinc/66/70/54/560667054.db2.gz FBDWINNBNFBKDS-CPNJWEJPSA-N -1 0 401.422 3.466 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409198455 560690863 /nfs/dbraw/zinc/69/08/63/560690863.db2.gz AUYBGUAAIRLTBG-LPGQDOADSA-N -1 0 409.511 3.115 40 10 HGCBRM COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000409204207 560694022 /nfs/dbraw/zinc/69/40/22/560694022.db2.gz CNEUZSUHFKZTFR-CXUHLZMHSA-N -1 0 418.496 3.114 40 10 HGCBRM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000409229532 560698519 /nfs/dbraw/zinc/69/85/19/560698519.db2.gz QQNKQHQZKMCQOS-UKTHLTGXSA-N -1 0 409.389 3.196 40 10 HGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC ZINC000409371008 560716836 /nfs/dbraw/zinc/71/68/36/560716836.db2.gz AEVZLFWPCTXSAW-RIYZIHGNSA-N -1 0 418.833 3.392 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409393913 560719568 /nfs/dbraw/zinc/71/95/68/560719568.db2.gz TTZHKKZRKCOKIA-XDHOZWIPSA-N -1 0 404.401 3.295 40 10 HGCBRM COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000112127559 560776869 /nfs/dbraw/zinc/77/68/69/560776869.db2.gz 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CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000016186545 558776159 /nfs/dbraw/zinc/77/61/59/558776159.db2.gz NGLYZGKPYARTEU-JYRVWZFOSA-N -1 0 421.240 3.429 40 10 HGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000016282057 558783350 /nfs/dbraw/zinc/78/33/50/558783350.db2.gz VYGCLFDXXLEMQY-YBEGLDIGSA-N -1 0 415.243 3.433 40 10 HGCBRM Cc1cc([O-])c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000096300974 559109007 /nfs/dbraw/zinc/10/90/07/559109007.db2.gz OKEJHBIOFWQNMW-UHFFFAOYSA-N -1 0 403.481 3.334 40 10 HGCBRM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC ZINC000408768911 560638906 /nfs/dbraw/zinc/63/89/06/560638906.db2.gz LTRYZPSGLRBKKV-XNTDXEJSSA-N -1 0 400.818 3.414 40 10 HGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000408780342 560640973 /nfs/dbraw/zinc/64/09/73/560640973.db2.gz XQGRNQFCKVWSQC-GDNBJRDFSA-N -1 0 400.818 3.414 40 10 HGCBRM CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408806053 560643342 /nfs/dbraw/zinc/64/33/42/560643342.db2.gz AKZJZOSEUBDPTM-OQLLNIDSSA-N -1 0 415.789 3.313 40 10 HGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408807989 560643617 /nfs/dbraw/zinc/64/36/17/560643617.db2.gz IQGSOAQKIUKKJE-OQLLNIDSSA-N -1 0 400.818 3.414 40 10 HGCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000408815798 560644473 /nfs/dbraw/zinc/64/44/73/560644473.db2.gz UONGAEFIFMLEGS-SFQUDFHCSA-N -1 0 410.426 3.159 40 10 HGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408900244 560651194 /nfs/dbraw/zinc/65/11/94/560651194.db2.gz XQKXUNVWYACYNB-GDNBJRDFSA-N -1 0 415.243 3.433 40 10 HGCBRM COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)c(OC)c1 ZINC000409102131 560677254 /nfs/dbraw/zinc/67/72/54/560677254.db2.gz ZZOWHJLCYGRJKQ-OQLLNIDSSA-N -1 0 407.451 3.016 40 10 HGCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000409199182 560689735 /nfs/dbraw/zinc/68/97/35/560689735.db2.gz 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560648317 /nfs/dbraw/zinc/64/83/17/560648317.db2.gz BXNMPWNPPDHYDK-XNTDXEJSSA-N -1 0 401.216 3.124 40 10 HGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2O)C1=O ZINC000408888337 560649965 /nfs/dbraw/zinc/64/99/65/560649965.db2.gz ZGYRAGQZKGYLHG-UKTHLTGXSA-N -1 0 401.216 3.130 40 10 HGCBRM Cc1ccc(Sc2oc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)cc1 ZINC000408913806 560653673 /nfs/dbraw/zinc/65/36/73/560653673.db2.gz NYCOUWLOYAVXAS-UHFFFAOYSA-N -1 0 407.245 3.251 40 10 HGCBRM COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)[N-]C2=S)cc1 ZINC000408960990 560657860 /nfs/dbraw/zinc/65/78/60/560657860.db2.gz PQAHCMDUKNROKO-XSFVSMFZSA-N -1 0 421.522 3.435 40 10 HGCBRM COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000409013786 560666123 /nfs/dbraw/zinc/66/61/23/560666123.db2.gz VMXLNDUSXINEEH-CPNJWEJPSA-N -1 0 421.453 3.456 40 10 HGCBRM Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)c1 ZINC000409022803 560667051 /nfs/dbraw/zinc/66/70/51/560667051.db2.gz TVMMPLCGLRORAB-CPNJWEJPSA-N -1 0 403.463 3.323 40 10 HGCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409127771 560681264 /nfs/dbraw/zinc/68/12/64/560681264.db2.gz RJZMYWOBGSYSOF-NVNXTCNLSA-N -1 0 401.400 3.123 40 10 HGCBRM CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1OC ZINC000409149233 560683938 /nfs/dbraw/zinc/68/39/38/560683938.db2.gz ZLRUHVZFHVCDRR-PDGQHHTCSA-N -1 0 424.453 3.155 40 10 HGCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409205034 560694154 /nfs/dbraw/zinc/69/41/54/560694154.db2.gz FPZLDHKGSZKKNC-UNOMPAQXSA-N -1 0 422.441 3.407 40 10 HGCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000409215786 560697018 /nfs/dbraw/zinc/69/70/18/560697018.db2.gz AUOLCKMMOLMLDM-LDADJPATSA-N -1 0 402.366 3.244 40 10 HGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409228587 560698376 /nfs/dbraw/zinc/69/83/76/560698376.db2.gz ZOWIZZPRIOCPOI-CPNJWEJPSA-N -1 0 400.438 3.464 40 10 HGCBRM 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Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O ZINC000016282420 558783353 /nfs/dbraw/zinc/78/33/53/558783353.db2.gz JHPNCVKALMLAPL-ZROIWOOFSA-N -1 0 418.222 3.475 40 10 HGCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000409019058 560667301 /nfs/dbraw/zinc/66/73/01/560667301.db2.gz XTNAIXDYWIFHEO-LDADJPATSA-N -1 0 407.426 3.153 40 10 HGCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 ZINC000409195582 560690258 /nfs/dbraw/zinc/69/02/58/560690258.db2.gz RBGVPTARZNHEAN-AUWJEWJLSA-N -1 0 402.248 3.335 40 10 HGCBRM COCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc12 ZINC000409206191 560694332 /nfs/dbraw/zinc/69/43/32/560694332.db2.gz VVNQCXZUHAEPJQ-RGEXLXHISA-N -1 0 408.454 3.269 40 10 HGCBRM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000059417338 568705720 /nfs/dbraw/zinc/70/57/20/568705720.db2.gz VNTJCVLCCQKAPE-SDNWHVSQSA-N -1 0 409.280 3.500 40 10 HGCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)o1 ZINC000003044032 568848415 /nfs/dbraw/zinc/84/84/15/568848415.db2.gz RBKCMXDWJJVXHQ-VGOFMYFVSA-N -1 0 404.425 3.449 40 10 HGCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000107758436 569352952 /nfs/dbraw/zinc/35/29/52/569352952.db2.gz FUJJXUMLIPYVPI-GDNBJRDFSA-N -1 0 407.338 3.110 40 10 HGCBRM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(I)c1 ZINC000000859658 557103636 /nfs/dbraw/zinc/10/36/36/557103636.db2.gz PXFRVWNUHIQTIA-ZROIWOOFSA-N -1 0 424.625 3.406 40 10 HGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000408526323 557287828 /nfs/dbraw/zinc/28/78/28/557287828.db2.gz AYLFQEVJPKXFBX-LCYFTJDESA-N -1 0 421.240 3.085 40 10 HGCBRM COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000408530462 557298810 /nfs/dbraw/zinc/29/88/10/557298810.db2.gz IYHPTEUSJCJWAU-QGOAFFKASA-N -1 0 415.405 3.205 40 10 HGCBRM CCc1ccccc1NC(=O)N/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000408532178 557311157 /nfs/dbraw/zinc/31/11/57/557311157.db2.gz 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560699793 /nfs/dbraw/zinc/69/97/93/560699793.db2.gz RDHVQZFRKYOEBM-NTCAYCPXSA-N -1 0 410.426 3.077 40 10 HGCBRM O=C([O-])COc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409332638 560710545 /nfs/dbraw/zinc/71/05/45/560710545.db2.gz QRIQTOYTGCMMQI-NVNXTCNLSA-N -1 0 416.436 3.464 40 10 HGCBRM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc(OC)c1O ZINC000409339421 560712875 /nfs/dbraw/zinc/71/28/75/560712875.db2.gz VJPORWUEEDRFON-MDWZMJQESA-N -1 0 422.509 3.017 40 10 HGCBRM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000409372964 560717011 /nfs/dbraw/zinc/71/70/11/560717011.db2.gz OJVUZNCCOGUHIC-NTUHNPAUSA-N -1 0 404.806 3.002 40 10 HGCBRM O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1 ZINC000059565775 568706792 /nfs/dbraw/zinc/70/67/92/568706792.db2.gz UVJPQHOVBNNUQL-UHFFFAOYSA-N -1 0 421.287 3.155 40 10 HGCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 ZINC000107823982 569361031 /nfs/dbraw/zinc/36/10/31/569361031.db2.gz 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560649985 /nfs/dbraw/zinc/64/99/85/560649985.db2.gz YEASRJIENAUFPR-NTEUORMPSA-N -1 0 415.243 3.438 40 10 HGCBRM COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408900272 560651210 /nfs/dbraw/zinc/65/12/10/560651210.db2.gz XTTCLLBGNMKPMS-UVTDQMKNSA-N -1 0 415.243 3.433 40 10 HGCBRM CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S1 ZINC000409092550 560674412 /nfs/dbraw/zinc/67/44/12/560674412.db2.gz WYUPIQJTGCXCSG-YCRREMRBSA-N -1 0 420.082 3.024 40 10 HGCBRM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccccc3CC)C1=O)OCO2 ZINC000409106178 560678474 /nfs/dbraw/zinc/67/84/74/560678474.db2.gz QPXUNUWMYHOIRS-DHDCSXOGSA-N -1 0 408.410 3.043 40 10 HGCBRM CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C1=O)OCO2 ZINC000409107601 560678655 /nfs/dbraw/zinc/67/86/55/560678655.db2.gz SKSIJACWUVAEDX-NSIKDUERSA-N -1 0 414.801 3.134 40 10 HGCBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000409189509 560690993 /nfs/dbraw/zinc/69/09/93/560690993.db2.gz PXAFOORCOKRLKJ-LFIBNONCSA-N -1 0 410.451 3.003 40 10 HGCBRM O=C([O-])COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409328843 560709917 /nfs/dbraw/zinc/70/99/17/560709917.db2.gz BMCWRECLGRRTOD-NVNXTCNLSA-N -1 0 416.436 3.464 40 10 HGCBRM COC(=O)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000409338327 560712510 /nfs/dbraw/zinc/71/25/10/560712510.db2.gz HVKHHBLCERMINK-UKTHLTGXSA-N -1 0 404.494 3.081 40 10 HGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000409373556 560717022 /nfs/dbraw/zinc/71/70/22/560717022.db2.gz UTEOKJPOVWVPIX-MDWZMJQESA-N -1 0 419.231 3.103 40 10 HGCBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)o1 ZINC000409390665 560718669 /nfs/dbraw/zinc/71/86/69/560718669.db2.gz GKVOAWAVRFGIOZ-GZTJUZNOSA-N -1 0 418.365 3.225 40 10 HGCBRM Cc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4cc(C)ccc4C)C3=O)sc2c1 ZINC000408527246 571308655 /nfs/dbraw/zinc/30/86/55/571308655.db2.gz DBESWNJQTHDYIZ-GXDHUFHOSA-N -1 0 406.467 3.800 40 10 HGCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c1 ZINC000006389382 132310634 /nfs/dbraw/zinc/31/06/34/132310634.db2.gz WOBHCNIZBSCLAA-PDGQHHTCSA-N -1 0 423.444 3.491 40 10 HGCBRM CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000035084762 557299229 /nfs/dbraw/zinc/29/92/29/557299229.db2.gz OUVKQKOAGNBQTP-KAECEXQPSA-N -1 0 414.845 3.132 40 10 HGCBRM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)CC ZINC000408537548 557348591 /nfs/dbraw/zinc/34/85/91/557348591.db2.gz WESOHWGPIWSLAO-VBKFSLOCSA-N -1 0 422.437 3.376 40 10 HGCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408548318 557371163 /nfs/dbraw/zinc/37/11/63/557371163.db2.gz GFHYZFIABYBINS-OVCLIPMQSA-N -1 0 400.818 3.332 40 10 HGCBRM C=CCOc1c(OCC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000035199555 557545257 /nfs/dbraw/zinc/54/52/57/557545257.db2.gz QLWNFKLCQXPNMT-WJDWOHSUSA-N -1 0 409.398 3.020 40 10 HGCBRM Cn1c(=O)c(C2=NNC(=O)C2=Cc2c(O)ccc3ccccc32)c([O-])c2ccccc21 ZINC000100247299 559133268 /nfs/dbraw/zinc/13/32/68/559133268.db2.gz KYEFUWLNNOXQMP-ATVHPVEESA-N -1 0 411.417 3.020 40 10 HGCBRM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)ccc1O ZINC000033538553 559207263 /nfs/dbraw/zinc/20/72/63/559207263.db2.gz OAZVDTOIMLRSDO-PXNMLYILSA-N -1 0 415.448 3.267 40 10 HGCBRM COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000408759564 559275725 /nfs/dbraw/zinc/27/57/25/559275725.db2.gz HEBAWAYDTZYZBX-GDNBJRDFSA-N -1 0 417.284 3.289 40 10 HGCBRM O=C([N-]N1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000005553124 560608714 /nfs/dbraw/zinc/60/87/14/560608714.db2.gz MWAKLOWETMFLIH-HNBAAQFOSA-N -1 0 401.425 3.290 40 10 HGCBRM CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408804756 560643224 /nfs/dbraw/zinc/64/32/24/560643224.db2.gz HGAVZXDCWFVLJK-MHWRWJLKSA-N -1 0 400.818 3.499 40 10 HGCBRM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408804543 560643268 /nfs/dbraw/zinc/64/32/68/560643268.db2.gz YFKHANXQHNYDIJ-UHFFFAOYSA-N -1 0 421.236 3.330 40 10 HGCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)o3)C(=O)[N-]C2=S)c1 ZINC000408817577 560644736 /nfs/dbraw/zinc/64/47/36/560644736.db2.gz LVWFSGHJBZJHHD-GHRIWEEISA-N -1 0 413.499 3.356 40 10 HGCBRM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2Cc2ccccc2Cl)C(=O)N1 ZINC000408876933 560649476 /nfs/dbraw/zinc/64/94/76/560649476.db2.gz RCWJTHKQWGDFGY-UHFFFAOYSA-N -1 0 419.662 3.443 40 10 HGCBRM Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O)C1=O ZINC000408900738 560651188 /nfs/dbraw/zinc/65/11/88/560651188.db2.gz UIMGIRNICQDMKQ-LCYFTJDESA-N -1 0 401.216 3.130 40 10 HGCBRM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OC ZINC000408917255 560653501 /nfs/dbraw/zinc/65/35/01/560653501.db2.gz PWVMKORDFNKSLF-QPEQYQDCSA-N -1 0 420.849 3.328 40 10 HGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000408945528 560656508 /nfs/dbraw/zinc/65/65/08/560656508.db2.gz WPSWAXVEYDRMMM-NTEUORMPSA-N 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O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 ZINC000004623645 560898681 /nfs/dbraw/zinc/89/86/81/560898681.db2.gz FKCUFGDZFCIEGA-DMPWYTOCSA-N -1 0 406.438 3.446 40 10 HGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 ZINC000409099561 568417613 /nfs/dbraw/zinc/41/76/13/568417613.db2.gz UEBMHOGYBBMQRQ-NTEUORMPSA-N -1 0 416.886 3.497 40 10 HGCBRM CC[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107931211 569361085 /nfs/dbraw/zinc/36/10/85/569361085.db2.gz AVFAGHOXUPNGJK-YDRQLGOLSA-N -1 0 411.414 3.242 40 10 HGCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)c1 ZINC000208453475 569361588 /nfs/dbraw/zinc/36/15/88/569361588.db2.gz HUCKEKWISPDUOO-UKTHLTGXSA-N -1 0 421.272 3.272 40 10 HGCBRM Cc1cccc2c1NC(=O)C(C=C1C(=O)[N-]C(=S)N(c3ccccc3)C1=O)C2=O ZINC000001087360 132236900 /nfs/dbraw/zinc/23/69/00/132236900.db2.gz BYTJCCRDZXAVLY-XNTDXEJSSA-N -1 0 405.435 3.214 40 10 HGCBRM O=C([O-])c1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 ZINC000005372908 132305447 /nfs/dbraw/zinc/30/54/47/132305447.db2.gz XIHPCKMZBJWHOX-AQTBWJFISA-N -1 0 411.458 3.316 40 10 HGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(=O)c3ccco3)C2=O)c1 ZINC000408529949 557294296 /nfs/dbraw/zinc/29/42/96/557294296.db2.gz DLEWCQABQZUNEF-LGMDPLHJSA-N -1 0 416.389 3.474 40 10 HGCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3[N+](=O)[O-])C2=O)c1 ZINC000408531496 557305274 /nfs/dbraw/zinc/30/52/74/557305274.db2.gz OFPOFJMLWVDKCF-UKTHLTGXSA-N -1 0 414.805 3.444 40 10 HGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNC(=S)Nc2ccc(C)c(C)c2)C1=O ZINC000408535274 557330492 /nfs/dbraw/zinc/33/04/92/557330492.db2.gz YGNWHNZWHWDRBN-SFQUDFHCSA-N -1 0 422.510 3.319 40 10 HGCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000408548946 557415393 /nfs/dbraw/zinc/41/53/93/557415393.db2.gz NZSVJGUKMCHSBM-MHWRWJLKSA-N -1 0 410.495 3.460 40 10 HGCBRM O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408550289 557426899 /nfs/dbraw/zinc/42/68/99/557426899.db2.gz FPLBTVQSIJTJII-WQLSENKSSA-N -1 0 420.809 3.131 40 10 HGCBRM CCCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-] ZINC000005552887 557661374 /nfs/dbraw/zinc/66/13/74/557661374.db2.gz UPZSMBKERLCWBF-DLEKYWELSA-N -1 0 420.556 3.346 40 10 HGCBRM CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)C(=O)[N-]C2=S)c1 ZINC000408740457 557806337 /nfs/dbraw/zinc/80/63/37/557806337.db2.gz KUPPLKIBFSVXHK-DHDCSXOGSA-N -1 0 402.859 3.276 40 10 HGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000015012506 558700766 /nfs/dbraw/zinc/70/07/66/558700766.db2.gz HWFKOVCJAHFALT-GDNBJRDFSA-N -1 0 415.243 3.433 40 10 HGCBRM CCOc1cccc(N2C(=O)/C(=C\c3ccc(Br)o3)C(=O)[N-]C2=S)c1 ZINC000016693242 558800505 /nfs/dbraw/zinc/80/05/05/558800505.db2.gz HUCKEKWISPDUOO-LCYFTJDESA-N -1 0 421.272 3.272 40 10 HGCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1O ZINC000408856113 560647887 /nfs/dbraw/zinc/64/78/87/560647887.db2.gz PJMQGEGMYYPQRA-YRNVUSSQSA-N -1 0 406.822 3.025 40 10 HGCBRM COc1cc(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408873005 560649042 /nfs/dbraw/zinc/64/90/42/560649042.db2.gz QRTYKOXSVUELLY-JYRVWZFOSA-N -1 0 419.206 3.263 40 10 HGCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000408897403 560651548 /nfs/dbraw/zinc/65/15/48/560651548.db2.gz JFFKEWJIIQCUGX-LFYBBSHMSA-N -1 0 405.193 3.389 40 10 HGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000408960037 560657699 /nfs/dbraw/zinc/65/76/99/560657699.db2.gz IGXXMVCHONFJOW-HMMYKYKNSA-N -1 0 405.454 3.352 40 10 HGCBRM CCOc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 ZINC000408965699 560659114 /nfs/dbraw/zinc/65/91/14/560659114.db2.gz XFYRPFWEQIEASI-VGOFMYFVSA-N -1 0 414.801 3.134 40 10 HGCBRM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Br)cs1 ZINC000409021315 560666852 /nfs/dbraw/zinc/66/68/52/560666852.db2.gz AWXPRFZKNQRZFI-WUXMJOGZSA-N -1 0 411.277 3.481 40 10 HGCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)c1 ZINC000409022437 560667058 /nfs/dbraw/zinc/66/70/58/560667058.db2.gz NUSKBWOYSPZIHI-XSFVSMFZSA-N -1 0 417.421 3.248 40 10 HGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409204556 560694015 /nfs/dbraw/zinc/69/40/15/560694015.db2.gz IUDYKSJJSASBNZ-FUNKKEAFSA-N -1 0 407.470 3.259 40 10 HGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccn4)c3C)C2=O)cc1 ZINC000409230998 560700315 /nfs/dbraw/zinc/70/03/15/560700315.db2.gz HMHLKRRQKXXNJK-CPNJWEJPSA-N -1 0 416.437 3.164 40 10 HGCBRM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1OCC ZINC000409338851 560712628 /nfs/dbraw/zinc/71/26/28/560712628.db2.gz PLIPVHWBTKZLTQ-GHXNOFRVSA-N -1 0 401.893 3.423 40 10 HGCBRM CC(=O)Oc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000409345260 560714601 /nfs/dbraw/zinc/71/46/01/560714601.db2.gz KZNHWJFKBQWXRE-NTEUORMPSA-N -1 0 404.494 3.220 40 10 HGCBRM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccncc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409391151 560718823 /nfs/dbraw/zinc/71/88/23/560718823.db2.gz HRUZWLKJTOTUDR-LFIBNONCSA-N -1 0 418.365 3.225 40 10 HGCBRM COc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2O)C1=O ZINC000004936221 568424924 /nfs/dbraw/zinc/42/49/24/568424924.db2.gz ZGNWMGQGNCLURU-VSKRKVRLSA-N -1 0 416.433 3.452 40 10 HGCBRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000028296938 568784115 /nfs/dbraw/zinc/78/41/15/568784115.db2.gz LMWHHMQBOMRGLA-RSYJBZMQSA-N -1 0 402.453 3.206 40 10 HGCBRM CCCCCN1c2ccccc2/C(=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)C1=O ZINC000027563251 569026179 /nfs/dbraw/zinc/02/61/79/569026179.db2.gz SSGAJILIIZTXRU-PHIZWAGYSA-N -1 0 404.513 3.268 40 10 HGCBRM C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC#N ZINC000033605306 569360247 /nfs/dbraw/zinc/36/02/47/569360247.db2.gz MBRFQYKJIMAZNS-RGEXLXHISA-N -1 0 403.438 3.178 40 10 HGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2nc(-c3ccccc3)cs2)C1=O ZINC000408526174 571309883 /nfs/dbraw/zinc/30/98/83/571309883.db2.gz ACSRAPRKJGUFRU-FOWTUZBSSA-N -1 0 418.478 3.951 40 10 HGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CN=c2[nH]c3cc(C)c(C)cc3s2)C1=O ZINC000408536056 571309929 /nfs/dbraw/zinc/30/99/29/571309929.db2.gz VMLRBCMJHTWPRE-RVDMUPIBSA-N -1 0 420.494 4.054 40 10 HGCBRM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000015013006 132461020 /nfs/dbraw/zinc/46/10/20/132461020.db2.gz OXRURXJZVIVVPK-PDGQHHTCSA-N -1 0 409.511 3.378 40 10 HGCBRM COc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1Br ZINC000020010392 523414141 /nfs/dbraw/zinc/41/41/41/523414141.db2.gz CHALFGKQROSCGY-PKTIUJEHSA-N -1 0 402.291 3.132 40 10 HGCBRM Cc1ccc(NC(=O)N/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000408532458 557314372 /nfs/dbraw/zinc/31/43/72/557314372.db2.gz MUKZZYZOYOZUCZ-GZTJUZNOSA-N -1 0 406.442 3.209 40 10 HGCBRM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408549878 557396854 /nfs/dbraw/zinc/39/68/54/557396854.db2.gz ASPOGMLGRZJSDG-LCYFTJDESA-N -1 0 405.838 3.231 40 10 HGCBRM O=C1C(=NNc2ccccc2)C=C(CN2CCOCC2)C([O-])=C1CN1CCOCC1 ZINC000004991092 557622119 /nfs/dbraw/zinc/62/21/19/557622119.db2.gz IMXTUESDHJSGRL-WCWDXBQESA-N -1 0 412.490 3.178 40 10 HGCBRM CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)[O-] ZINC000005552909 557661430 /nfs/dbraw/zinc/66/14/30/557661430.db2.gz VIHLWYUSLNOLTE-FINCRHPDSA-N -1 0 420.556 3.202 40 10 HGCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc(OC)c1O ZINC000016195052 558777904 /nfs/dbraw/zinc/77/79/04/558777904.db2.gz NTJSDFMVUZIUAC-MHWRWJLKSA-N -1 0 418.405 3.229 40 10 HGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)(C)C ZINC000016268211 558782450 /nfs/dbraw/zinc/78/24/50/558782450.db2.gz SPKVAXGLPQQUAK-CXUHLZMHSA-N -1 0 409.442 3.255 40 10 HGCBRM CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)O1 ZINC000016605324 558796614 /nfs/dbraw/zinc/79/66/14/558796614.db2.gz ZUUYSXUURXJLND-UHFFFAOYSA-N -1 0 414.208 3.309 40 10 HGCBRM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(C)c(C)c1 ZINC000408798475 560642016 /nfs/dbraw/zinc/64/20/16/560642016.db2.gz FLPONNXYOLIVNP-UHFFFAOYSA-N -1 0 414.845 3.294 40 10 HGCBRM CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408818376 560644816 /nfs/dbraw/zinc/64/48/16/560644816.db2.gz VIKYLSUUSHLYBU-GXDHUFHOSA-N -1 0 400.818 3.414 40 10 HGCBRM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000408854305 560647626 /nfs/dbraw/zinc/64/76/26/560647626.db2.gz CDBWITZABPAPLB-CSKARUKUSA-N -1 0 410.282 3.484 40 10 HGCBRM COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1cccc2ccccc21 ZINC000408880959 560649874 /nfs/dbraw/zinc/64/98/74/560649874.db2.gz JNTOYACXQRGXQR-UHFFFAOYSA-N -1 0 402.406 3.177 40 10 HGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(O)c1 ZINC000408885544 560649899 /nfs/dbraw/zinc/64/98/99/560649899.db2.gz BRKXQKMPHHCNJM-WUXMJOGZSA-N -1 0 407.209 3.374 40 10 HGCBRM CCCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1 ZINC000408901592 560651428 /nfs/dbraw/zinc/65/14/28/560651428.db2.gz ZADBTODSWBJHBD-PDGQHHTCSA-N -1 0 410.426 3.246 40 10 HGCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)c1 ZINC000408992285 560662371 /nfs/dbraw/zinc/66/23/71/560662371.db2.gz SSSXEBXLUQBOIB-MDWZMJQESA-N -1 0 405.273 3.490 40 10 HGCBRM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c1OC(C)C ZINC000409016875 560666658 /nfs/dbraw/zinc/66/66/58/560666658.db2.gz AQUUOCZDJILWBQ-MHWRWJLKSA-N -1 0 414.458 3.453 40 10 HGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)[N-]C2=S)c1C ZINC000409134976 560682283 /nfs/dbraw/zinc/68/22/83/560682283.db2.gz OZJQNNNATRUCRN-XYOKQWHBSA-N -1 0 405.273 3.490 40 10 HGCBRM O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409328438 560709783 /nfs/dbraw/zinc/70/97/83/560709783.db2.gz VHDQWSVNSAHOPT-GIDUJCDVSA-N -1 0 402.409 3.435 40 10 HGCBRM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OC ZINC000006479367 560742447 /nfs/dbraw/zinc/74/24/47/560742447.db2.gz VWCSNXURBIFLOV-MDWZMJQESA-N -1 0 400.818 3.332 40 10 HGCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000033307259 568696799 /nfs/dbraw/zinc/69/67/99/568696799.db2.gz HDJWRKMAYJVEHT-RGEXLXHISA-N -1 0 414.417 3.376 40 10 HGCBRM Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000059858869 568709379 /nfs/dbraw/zinc/70/93/79/568709379.db2.gz ZBXMUPDTQOXVRQ-UYRXBGFRSA-N -1 0 415.453 3.127 40 10 HGCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNCc1cccs1 ZINC000101653084 569015330 /nfs/dbraw/zinc/01/53/30/569015330.db2.gz NTCQJSJWIYVWBA-DHZHZOJOSA-N -1 0 412.323 3.476 40 10 HGCBRM C[C@@H](NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1 ZINC000108894222 569353612 /nfs/dbraw/zinc/35/36/12/569353612.db2.gz FDGQBVGCGWNJLZ-UXEDPAHQSA-N -1 0 403.866 3.462 40 10 HGCBRM C[C@H](Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)[O-] ZINC000033385604 569360143 /nfs/dbraw/zinc/36/01/43/569360143.db2.gz NYVYTUYSNAHEGD-QIQQCEGHSA-N -1 0 402.406 3.153 40 10 HGCBRM O=C(COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1)Nc1ccccc1 ZINC000035128723 569360748 /nfs/dbraw/zinc/36/07/48/569360748.db2.gz SSESMYOCGJOPKH-QNGOZBTKSA-N -1 0 413.433 3.166 40 10 HGCBRM NC(=O)NC1=CC(=O)C=CC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000017778485 571305597 /nfs/dbraw/zinc/30/55/97/571305597.db2.gz FMEWCSJBOPKQFH-GHVJWSGMSA-N -1 0 412.431 3.494 40 10 HGCBRM