smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Oc2ccccc2)cc1 ZINC000001045627 570476418 /nfs/dbraw/zinc/47/64/18/570476418.db2.gz VFBZHXCHFOZMAM-UUYOSTAYSA-N 0 1 358.224 6.242 40 30 FKEBMN Cc1cccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc21 ZINC000001055763 219360841 /nfs/dbraw/zinc/36/08/41/219360841.db2.gz XCIPODAHFOMHCU-WSDLNYQXSA-N 0 1 373.368 5.168 40 30 FKEBMN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2c(O)ccc3ccccc23)c1 ZINC000001496904 204011083 /nfs/dbraw/zinc/01/10/83/204011083.db2.gz PTXKHNKHEPOSOT-FSJBWODESA-N 0 1 353.849 5.953 40 30 FKEBMN N#C[C@H]1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000001752306 570506263 /nfs/dbraw/zinc/50/62/63/570506263.db2.gz HDBNACUXCQVKEU-QFIPXVFZSA-N 0 1 351.409 5.496 40 30 FKEBMN CCCCCCCSC(=S)NC1c2ccccc2Oc2ccccc21 ZINC000001865409 570508952 /nfs/dbraw/zinc/50/89/52/570508952.db2.gz LEBAAPNAMXIIOR-UHFFFAOYSA-N 0 1 371.571 6.460 40 30 FKEBMN N#C[C@@H]1c2ccccc2C=CN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000002035517 570511955 /nfs/dbraw/zinc/51/19/55/570511955.db2.gz HDBNACUXCQVKEU-JOCHJYFZSA-N 0 1 351.409 5.496 40 30 FKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1c(Cl)cccc1Cl ZINC000002276361 571294657 /nfs/dbraw/zinc/29/46/57/571294657.db2.gz JSYAVMINBADQCO-NVMNQCDNSA-N 0 1 355.294 5.177 40 30 FKEBMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000002318560 570644204 /nfs/dbraw/zinc/64/42/04/570644204.db2.gz BYBFQULBCNZFSR-JCMHNJIXSA-N 0 1 356.454 5.157 40 30 FKEBMN Cc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002324736 204033945 /nfs/dbraw/zinc/03/39/45/204033945.db2.gz AVZNIVXABVXAMP-BKUYFWCQSA-N 0 1 350.491 5.096 40 30 FKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl ZINC000002330668 204034186 /nfs/dbraw/zinc/03/41/86/204034186.db2.gz AJOFRXAPINPAFG-NVMNQCDNSA-N 0 1 355.294 5.177 40 30 FKEBMN CCCCCOc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1 ZINC000002334482 520250485 /nfs/dbraw/zinc/25/04/85/520250485.db2.gz LFCILKXAGDEZHB-QNGOZBTKSA-N 0 1 372.538 5.440 40 30 FKEBMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000002341911 210392302 /nfs/dbraw/zinc/39/23/02/210392302.db2.gz OFJSCIWFAANHAS-BKUYFWCQSA-N 0 1 366.490 5.032 40 30 FKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1Cl ZINC000002343293 204035806 /nfs/dbraw/zinc/03/58/06/204035806.db2.gz SZFWPEKKTTXLRA-NVMNQCDNSA-N 0 1 355.294 5.177 40 30 FKEBMN CCc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002349009 570643961 /nfs/dbraw/zinc/64/39/61/570643961.db2.gz VUNSXAZHCZDXPE-HMAPJEAMSA-N 0 1 364.518 5.350 40 30 FKEBMN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)[nH]n1 ZINC000002525711 210075643 /nfs/dbraw/zinc/07/56/43/210075643.db2.gz SVXMNQVFCJCBTQ-UHFFFAOYSA-N 0 1 362.195 5.001 40 30 FKEBMN Cc1ccc2nc(SC=CC(=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000002557536 571338696 /nfs/dbraw/zinc/33/86/96/571338696.db2.gz MLORRHJXCLYXDX-CMDGGOBGSA-N 0 1 373.275 5.123 40 30 FKEBMN CC(C)(C)c1cc(C=NN=c2[nH]c3ccccc3o2)cc(C(C)(C)C)c1O ZINC000004100874 570575955 /nfs/dbraw/zinc/57/59/55/570575955.db2.gz IJTZCXZDENOUBT-YDZHTSKRSA-N 0 1 365.477 5.574 40 30 FKEBMN Cc1cc(NC(=NC2CCCCC2)Nc2nccs2)c2ccccc2n1 ZINC000004217570 570581378 /nfs/dbraw/zinc/58/13/78/570581378.db2.gz SQVNITZYWXMWOG-UHFFFAOYSA-N 0 1 365.506 5.022 40 30 in-man FKEBMN CCCCC[C@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004375809 204135162 /nfs/dbraw/zinc/13/51/62/204135162.db2.gz BIMIEBMZQZLFKK-XOMAYSQNSA-N 0 1 350.506 5.831 40 30 FKEBMN Cc1nc(-c2ccccc2)nc(N=NCc2c(O)ccc3ccccc32)c1C ZINC000004595686 570597223 /nfs/dbraw/zinc/59/72/23/570597223.db2.gz SAWMATWOCYMQJN-ZVHZXABRSA-N 0 1 368.440 5.065 40 30 FKEBMN C[C@]12C[C@H](CC(C)(C)C1)N(/C=N/c1sc3c(c1C#N)CCCCC3)C2 ZINC000004604023 204150505 /nfs/dbraw/zinc/15/05/05/204150505.db2.gz JULVZMSKTWYPIV-JOTACAGLSA-N 0 1 355.551 5.449 40 30 FKEBMN C[C@@]12C[C@@H](CC(C)(C)C1)N(/C=N/c1sc3c(c1C#N)CCCCC3)C2 ZINC000004604025 204150870 /nfs/dbraw/zinc/15/08/70/204150870.db2.gz JULVZMSKTWYPIV-KTCWSOLJSA-N 0 1 355.551 5.449 40 30 FKEBMN Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O ZINC000004713969 570670914 /nfs/dbraw/zinc/67/09/14/570670914.db2.gz IQSRDZJHZKKRHE-WSDLNYQXSA-N 0 1 360.438 5.434 40 30 FKEBMN Cc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3O)nc2c1 ZINC000004713974 570671136 /nfs/dbraw/zinc/67/11/36/570671136.db2.gz PBYNLWUNIVCNQR-FSJBWODESA-N 0 1 358.397 5.273 40 30 FKEBMN Cc1cc(CN=Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000004869412 570672298 /nfs/dbraw/zinc/67/22/98/570672298.db2.gz INKWBHXDNYIECB-WSDLNYQXSA-N 0 1 358.272 5.847 40 30 FKEBMN C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000004898313 207059468 /nfs/dbraw/zinc/05/94/68/207059468.db2.gz DPZXORLWNADUGH-NEYQJUBMSA-N 0 1 363.288 5.481 40 30 FKEBMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000004924466 570919231 /nfs/dbraw/zinc/91/92/31/570919231.db2.gz ZHHAQBXSQDCTSB-AWQFTUOYSA-N 0 1 353.636 6.229 40 30 FKEBMN COc1ccc(OC)c(C(C)N=Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000004927289 570674310 /nfs/dbraw/zinc/67/43/10/570674310.db2.gz YTWVAHPMKVNYRK-LSHDLFTRSA-N 0 1 372.774 5.212 40 30 FKEBMN O=C(/C=N/O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000004962826 570614893 /nfs/dbraw/zinc/61/48/93/570614893.db2.gz GFOPCAHBNNNKQR-PCLIKHOPSA-N 0 1 366.420 5.658 40 30 FKEBMN COc1ccc2nc(C)cc(NN=Cc3ccccc3C(F)(F)F)c2c1 ZINC000005007005 570675050 /nfs/dbraw/zinc/67/50/50/570675050.db2.gz OCUKTXVDLBPUEQ-FOKLQQMPSA-N 0 1 359.351 5.017 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2c3ccccc3cc3ccccc32)nc1 ZINC000005174251 204196160 /nfs/dbraw/zinc/19/61/60/204196160.db2.gz PEKOEHYEXSJWCB-LGJNPRDNSA-N 0 1 365.358 5.853 40 30 FKEBMN O=[N+]([O-])[C@H](c1ccccc1)[C@@H](C/C(=N/O)c1ccccc1)c1ccccc1 ZINC000005203184 204197486 /nfs/dbraw/zinc/19/74/86/204197486.db2.gz SCTWZSDTEFFVCK-BOVFIRRTSA-N 0 1 360.413 5.057 40 30 FKEBMN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000005250238 263339720 /nfs/dbraw/zinc/33/97/20/263339720.db2.gz XUUFMNHRLSECKJ-HYARGMPZSA-N 0 1 364.518 5.411 40 30 FKEBMN COc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1OC ZINC000005257268 570622694 /nfs/dbraw/zinc/62/26/94/570622694.db2.gz XHXUWBDAEKPKBA-UFWORHAWSA-N 0 1 359.640 5.110 40 30 FKEBMN Cc1ccccc1NN=Cc1c(C)c(Cl)c(C)c(Br)c1O ZINC000005343930 570624043 /nfs/dbraw/zinc/62/40/43/570624043.db2.gz VYOFCIQNUCEVAN-UFWORHAWSA-N 0 1 367.674 5.179 40 30 FKEBMN Cc1ccc2nc(NN=C(c3ccccc3)c3ccccn3)cc(C)c2c1 ZINC000005392979 204207029 /nfs/dbraw/zinc/20/70/29/204207029.db2.gz BBBPWTGXWGELKG-VYIQYICTSA-N 0 1 352.441 5.111 40 30 FKEBMN CCCc1nc2ccc(N=Cc3c4ccccc4cc4ccccc43)cc2[nH]1 ZINC000005398068 207098901 /nfs/dbraw/zinc/09/89/01/207098901.db2.gz JGXQBRGFWSJSJC-WGOQTCKBSA-N 0 1 363.464 6.572 40 30 FKEBMN COc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(OC)c1 ZINC000005417252 570679330 /nfs/dbraw/zinc/67/93/30/570679330.db2.gz MUYMUMDLMAUWAH-UFWORHAWSA-N 0 1 359.640 5.110 40 30 FKEBMN FC(F)Oc1ccccc1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000005445682 570678937 /nfs/dbraw/zinc/67/89/37/570678937.db2.gz ZZIAAKPHPPLXAF-IFRROFPPSA-N 0 1 365.594 5.694 40 30 FKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O ZINC000005463459 570627804 /nfs/dbraw/zinc/62/78/04/570627804.db2.gz MEOHARIPWYPLET-YDZHTSKRSA-N 0 1 374.396 5.021 40 30 FKEBMN CCCCc1ccc2nc(C)cc(NN=Cc3ccc4c(c3)OCO4)c2c1 ZINC000005499296 521287708 /nfs/dbraw/zinc/28/77/08/521287708.db2.gz AJSOFEXYDZOEQI-YDZHTSKRSA-N 0 1 361.445 5.061 40 30 FKEBMN CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000005501734 570628622 /nfs/dbraw/zinc/62/86/22/570628622.db2.gz FFUBPVINAPCGBL-KEBDBYFISA-N 0 1 351.233 5.188 40 30 FKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(C)c(C)c1 ZINC000005571065 570962202 /nfs/dbraw/zinc/96/22/02/570962202.db2.gz LWFTZQVLOSXEON-YDZHTSKRSA-N 0 1 374.513 5.767 40 30 FKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(C)c(C)c1 ZINC000005571065 570962200 /nfs/dbraw/zinc/96/22/00/570962200.db2.gz LWFTZQVLOSXEON-YDZHTSKRSA-N 0 1 374.513 5.767 40 30 FKEBMN CCOc1ccc(/N=C(\Nc2ccc(OCC)cc2)c2ccc(C)cc2)cc1 ZINC000005584784 520858092 /nfs/dbraw/zinc/85/80/92/520858092.db2.gz WOUVTJBWAOLFHQ-UHFFFAOYSA-N 0 1 374.484 5.983 40 30 FKEBMN CCOc1ccc(/N=C(/Nc2ccc(OCC)cc2)c2ccccc2)cc1 ZINC000005584786 520856757 /nfs/dbraw/zinc/85/67/57/520856757.db2.gz FLGXCBCJEFPRKL-UHFFFAOYSA-N 0 1 360.457 5.674 40 30 FKEBMN COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 ZINC000005586456 571069987 /nfs/dbraw/zinc/06/99/87/571069987.db2.gz GFGGZLZQEAULGS-UHFFFAOYSA-N 0 1 366.848 5.548 40 30 FKEBMN COc1ccc(NC(=Nc2ccc(C)cc2)c2cccc3ccccc32)cc1 ZINC000005588093 571069879 /nfs/dbraw/zinc/06/98/79/571069879.db2.gz ZUELNGDFVYCQHF-UHFFFAOYSA-N 0 1 366.464 6.347 40 30 FKEBMN Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccc3ccccc3c2)cc1 ZINC000005588201 210083655 /nfs/dbraw/zinc/08/36/55/210083655.db2.gz MWYWDLKVVHGYBP-UHFFFAOYSA-N 0 1 350.465 6.647 40 30 FKEBMN CCCOc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1 ZINC000005591296 520323454 /nfs/dbraw/zinc/32/34/54/520323454.db2.gz JSUCPPJDFXIXHP-AWQFTUOYSA-N 0 1 373.667 5.587 40 30 FKEBMN C[C@H]1C(=NO)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000005611062 263342629 /nfs/dbraw/zinc/34/26/29/263342629.db2.gz DPZXORLWNADUGH-OGCKGYDTSA-N 0 1 363.288 5.481 40 30 FKEBMN O=C(/C=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c3c(cccc31)CC2 ZINC000005678288 207112196 /nfs/dbraw/zinc/11/21/96/207112196.db2.gz GTFDYMKDMDZHEU-VQHVLOKHSA-N 0 1 369.247 5.847 40 30 FKEBMN CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1Cl ZINC000005695391 204220424 /nfs/dbraw/zinc/22/04/24/204220424.db2.gz MJRMYABQYPOCCE-ODCIPOBUSA-N 0 1 353.640 5.359 40 30 FKEBMN Cc1ccccc1N=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000005756123 210083033 /nfs/dbraw/zinc/08/30/33/210083033.db2.gz JQQJOCJUKJNFIE-UHFFFAOYSA-N 0 1 355.268 6.492 40 30 FKEBMN COc1ccc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1Cl ZINC000005800137 570635919 /nfs/dbraw/zinc/63/59/19/570635919.db2.gz BDGXSRWUIFZZLL-YDZHTSKRSA-N 0 1 361.832 5.643 40 30 FKEBMN CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000005841333 204227200 /nfs/dbraw/zinc/22/72/00/204227200.db2.gz BLQFKETXMVPTTK-AWQFTUOYSA-N 0 1 351.233 5.044 40 30 FKEBMN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Cl)c1O ZINC000006155355 571310210 /nfs/dbraw/zinc/31/02/10/571310210.db2.gz GDGLTENKKKCUAM-UFFVCSGVSA-N 0 1 360.866 5.007 40 30 FKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000006210408 571295379 /nfs/dbraw/zinc/29/53/79/571295379.db2.gz HADXUXBNZKSNCN-WSDLNYQXSA-N 0 1 363.852 5.070 40 30 FKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc2c(c1)oc1ccccc12 ZINC000006232595 570643517 /nfs/dbraw/zinc/64/35/17/570643517.db2.gz WFHSYSVUTHTHPD-ZVHZXABRSA-N 0 1 367.408 5.536 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccccc2)nc1 ZINC000006297352 571310218 /nfs/dbraw/zinc/31/02/18/571310218.db2.gz LADMLRBILZTBOZ-BRJLIKDPSA-N 0 1 371.362 5.125 40 30 FKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000006314961 571295842 /nfs/dbraw/zinc/29/58/42/571295842.db2.gz HSGVMFANQVDFAP-WSDLNYQXSA-N 0 1 363.852 5.070 40 30 FKEBMN CC(C)Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)c(OC(C)C)c1 ZINC000006376570 263345372 /nfs/dbraw/zinc/34/53/72/263345372.db2.gz QYIWNUZDJBYVAR-CIAFOILYSA-N 0 1 369.490 5.317 40 30 FKEBMN CC(C)Oc1ccc(C=NNc2nc3ccccc3s2)c(OC(C)C)c1 ZINC000006376570 263345371 /nfs/dbraw/zinc/34/53/71/263345371.db2.gz QYIWNUZDJBYVAR-CIAFOILYSA-N 0 1 369.490 5.317 40 30 FKEBMN CC(C)Oc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000006376689 263345156 /nfs/dbraw/zinc/34/51/56/263345156.db2.gz IJGAEIDYHWKIGJ-LPYMAVHISA-N 0 1 361.470 5.683 40 30 FKEBMN CCC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 ZINC000006377971 204246852 /nfs/dbraw/zinc/24/68/52/204246852.db2.gz ZDAOFQMMFPYKBC-HYARGMPZSA-N 0 1 361.194 6.238 40 30 FKEBMN CCC(=NNc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1 ZINC000006377972 570766702 /nfs/dbraw/zinc/76/67/02/570766702.db2.gz KPWQKYGFPPAUHS-HYARGMPZSA-N 0 1 361.194 6.238 40 30 FKEBMN CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000006396808 568249204 /nfs/dbraw/zinc/24/92/04/568249204.db2.gz JFGNMZJOVQUVBR-SRZZPIQSSA-N 0 1 365.260 5.578 40 30 FKEBMN Oc1c(Br)cc(Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000006505211 570783250 /nfs/dbraw/zinc/78/32/50/570783250.db2.gz VUPYWIABSZWTDH-AWQFTUOYSA-N 0 1 368.702 5.196 40 30 FKEBMN Oc1c(Cl)cc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000006505213 570783362 /nfs/dbraw/zinc/78/33/62/570783362.db2.gz SNXXEHHZUDZDAK-AWQFTUOYSA-N 0 1 368.702 5.196 40 30 FKEBMN CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000006554905 571310429 /nfs/dbraw/zinc/31/04/29/571310429.db2.gz CTTZFMCHMAZLPR-JZOCJUILSA-N 0 1 366.686 6.072 40 30 FKEBMN CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000006554906 571310398 /nfs/dbraw/zinc/31/03/98/571310398.db2.gz HTSQMUTZTNAENS-JZOCJUILSA-N 0 1 366.686 6.072 40 30 FKEBMN CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000006555323 571310423 /nfs/dbraw/zinc/31/04/23/571310423.db2.gz CTTZFMCHMAZLPR-KKBVUKDESA-N 0 1 366.686 6.072 40 30 FKEBMN CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(Cl)c1O ZINC000006555324 571310340 /nfs/dbraw/zinc/31/03/40/571310340.db2.gz HTSQMUTZTNAENS-KKBVUKDESA-N 0 1 366.686 6.072 40 30 FKEBMN O=[N+]([O-])[C@H](c1ccccc1)[C@H](C/C(=N\O)c1ccccc1)c1ccccc1 ZINC000006575557 570649680 /nfs/dbraw/zinc/64/96/80/570649680.db2.gz SCTWZSDTEFFVCK-LQQVSHDKSA-N 0 1 360.413 5.057 40 30 FKEBMN CCOc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1 ZINC000006758773 568033138 /nfs/dbraw/zinc/03/31/38/568033138.db2.gz MXCFOYREVNGOOE-UFWORHAWSA-N 0 1 359.640 5.197 40 30 FKEBMN Cc1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000006841202 570787105 /nfs/dbraw/zinc/78/71/05/570787105.db2.gz NCYLITPMMATTGE-OEAKJJBVSA-N 0 1 373.481 5.630 40 30 FKEBMN Cc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 ZINC000006841202 570787103 /nfs/dbraw/zinc/78/71/03/570787103.db2.gz NCYLITPMMATTGE-OEAKJJBVSA-N 0 1 373.481 5.630 40 30 FKEBMN Cc1ccc(N=C(Nc2ccc(Cl)cc2)c2cccc3ccccc32)cc1 ZINC000006922770 571071708 /nfs/dbraw/zinc/07/17/08/571071708.db2.gz VSDXDZRNRTZOQP-UHFFFAOYSA-N 0 1 370.883 6.992 40 30 FKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1c2ccccc2cc2ccccc21 ZINC000007343417 571298736 /nfs/dbraw/zinc/29/87/36/571298736.db2.gz GZYRVFFCWQSQLL-BUVRLJJBSA-N 0 1 350.425 5.326 40 30 FKEBMN CCc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=O)[nH]2)cc1 ZINC000008816524 204345981 /nfs/dbraw/zinc/34/59/81/204345981.db2.gz VIZSGKYZFHCAEV-UHFFFAOYSA-N 0 1 369.251 5.450 40 30 FKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)cc1 ZINC000012466501 571322465 /nfs/dbraw/zinc/32/24/65/571322465.db2.gz UWXXDBDQXBPYOG-MTJSOVHGSA-N 0 1 370.909 5.441 40 30 FKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2)cc1 ZINC000012468271 571322459 /nfs/dbraw/zinc/32/24/59/571322459.db2.gz LVTKSQJHLQNZRA-MTJSOVHGSA-N 0 1 370.909 5.441 40 30 FKEBMN Clc1ccc(C=NNc2c3ccccc3nc3ccccc32)cc1Cl ZINC000013284058 570776056 /nfs/dbraw/zinc/77/60/56/570776056.db2.gz RKXGAIIRHURFIY-FSJBWODESA-N 0 1 366.251 6.141 40 30 FKEBMN Clc1ccc(C=NNc2c3ccccc3nc3ccccc32)c(Cl)c1 ZINC000013284072 220062923 /nfs/dbraw/zinc/06/29/23/220062923.db2.gz GBJFVZWXNMSUHQ-FSJBWODESA-N 0 1 366.251 6.141 40 30 FKEBMN CCc1ccc2oc(-c3cc(/N=C\c4cc(C)ccc4O)ccc3O)nc2c1 ZINC000015134330 524060671 /nfs/dbraw/zinc/06/06/71/524060671.db2.gz BDVYLFFZXGJSKQ-CFRMEGHHSA-N 0 1 372.424 5.527 40 30 FKEBMN O=C(/C=C/c1ccccc1)c1c(O)c2ccccc2c(O)c1-c1ccccc1 ZINC000015776430 211142673 /nfs/dbraw/zinc/14/26/73/211142673.db2.gz YTPSAJWJJVHZHP-FOCLMDBBSA-N 0 1 366.416 5.814 40 30 FKEBMN Cc1[nH]n(-c2ccccc2)c(=S)c1C(=Nc1ccccc1)c1ccccc1 ZINC000016249401 570852986 /nfs/dbraw/zinc/85/29/86/570852986.db2.gz VFFRUBYEEYJFAU-ZNTNEXAZSA-N 0 1 369.493 5.639 40 30 FKEBMN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000016347242 211158413 /nfs/dbraw/zinc/15/84/13/211158413.db2.gz CZWKEMJDDFTMJU-CNHKJKLMSA-N 0 1 359.050 5.521 40 30 FKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1c(C)cccc1C ZINC000016362425 220183478 /nfs/dbraw/zinc/18/34/78/220183478.db2.gz MTYGTMPCVPVLAY-QRVIBDJDSA-N 0 1 374.513 5.767 40 30 FKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1c(C)cccc1C ZINC000016362425 220183473 /nfs/dbraw/zinc/18/34/73/220183473.db2.gz MTYGTMPCVPVLAY-QRVIBDJDSA-N 0 1 374.513 5.767 40 30 FKEBMN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2ccccc2Cl)cc1 ZINC000016450751 211162057 /nfs/dbraw/zinc/16/20/57/211162057.db2.gz ZNQMOWMODJEGLB-ZBJSNUHESA-N 0 1 351.793 5.113 40 30 FKEBMN C(=NNc1nc2ccccc2s1)c1c2ccccc2cc2ccccc21 ZINC000016525773 570857656 /nfs/dbraw/zinc/85/76/56/570857656.db2.gz LKDLXBLDRRNSKU-UCQKPKSFSA-N 0 1 353.450 6.049 40 30 FKEBMN C(=[NH+][N-]c1nc2ccccc2s1)c1c2ccccc2cc2ccccc21 ZINC000016525773 570857654 /nfs/dbraw/zinc/85/76/54/570857654.db2.gz LKDLXBLDRRNSKU-UCQKPKSFSA-N 0 1 353.450 6.049 40 30 FKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1cccc2ccccc21 ZINC000016526183 570858144 /nfs/dbraw/zinc/85/81/44/570858144.db2.gz LSMFPHDACRGJJV-KEBDBYFISA-N 0 1 360.638 5.712 40 30 FKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000016780786 527359362 /nfs/dbraw/zinc/35/93/62/527359362.db2.gz BHMXRKCNHHZHRI-OEAKJJBVSA-N 0 1 370.412 5.044 40 30 FKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1Cl ZINC000017125948 570869290 /nfs/dbraw/zinc/86/92/90/570869290.db2.gz SXPLKOMMFMGVKK-MPUCSWFWSA-N 0 1 368.569 6.122 40 30 FKEBMN CCN(CC)c1ccc(C=[NH+][N-]c2c3ccccc3nc3c2CCCC3)cc1 ZINC000017127114 220207722 /nfs/dbraw/zinc/20/77/22/220207722.db2.gz MAMNLUNRTKTHHZ-KOEQRZSOSA-N 0 1 372.516 5.406 40 30 FKEBMN Cc1ccc2nc(NN=C(c3ccccc3)c3ccccn3)cc(C)c2c1 ZINC000017127491 570869442 /nfs/dbraw/zinc/86/94/42/570869442.db2.gz BBBPWTGXWGELKG-SLEBQGDGSA-N 0 1 352.441 5.111 40 30 FKEBMN COc1ccc2nc(NC(=Nc3ccc(C)cc3)c3ccccc3)sc2c1 ZINC000019958624 209620656 /nfs/dbraw/zinc/62/06/56/209620656.db2.gz QTYLFTDNWGYQCL-UHFFFAOYSA-N 0 1 373.481 5.804 40 30 FKEBMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000021722398 220365029 /nfs/dbraw/zinc/36/50/29/220365029.db2.gz FJUOMZBLLGHOPS-QHCPKHFHSA-N 0 1 374.484 5.158 40 30 FKEBMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000021722400 220364231 /nfs/dbraw/zinc/36/42/31/220364231.db2.gz FJUOMZBLLGHOPS-HSZRJFAPSA-N 0 1 374.484 5.158 40 30 FKEBMN Clc1ccc(C=NNc2c3ccccc3nc3ccccc32)c(Cl)c1 ZINC000031672202 208015918 /nfs/dbraw/zinc/01/59/18/208015918.db2.gz GBJFVZWXNMSUHQ-FMCGGJTJSA-N 0 1 366.251 6.141 40 30 FKEBMN Clc1ccc(C=NNc2c3ccccc3nc3ccccc32)cc1Cl ZINC000031672205 208016452 /nfs/dbraw/zinc/01/64/52/208016452.db2.gz RKXGAIIRHURFIY-FMCGGJTJSA-N 0 1 366.251 6.141 40 30 FKEBMN CCCCc1ccc2nc(C)cc(NN=Cc3ccc4c(c3)OCO4)c2c1 ZINC000031769291 571055596 /nfs/dbraw/zinc/05/55/96/571055596.db2.gz AJSOFEXYDZOEQI-QRVIBDJDSA-N 0 1 361.445 5.061 40 30 FKEBMN CCN(CC)c1ccc(C=[NH+][N-]c2c3ccccc3nc3c2CCCC3)cc1 ZINC000031769293 571055407 /nfs/dbraw/zinc/05/54/07/571055407.db2.gz MAMNLUNRTKTHHZ-UQQQWYQISA-N 0 1 372.516 5.406 40 30 FKEBMN O=C1c2ccccc2S/C1=C/c1cc(Cl)cc(Br)c1O ZINC000033339318 571084813 /nfs/dbraw/zinc/08/48/13/571084813.db2.gz OMDDLFFHANHLIZ-AWNIVKPZSA-N 0 1 367.651 5.138 40 30 FKEBMN CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000033366126 571084785 /nfs/dbraw/zinc/08/47/85/571084785.db2.gz YQUJOCXTRSSULP-JLPGSUDCSA-N 0 1 373.481 5.711 40 30 FKEBMN CC(=NNc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000033366126 571084781 /nfs/dbraw/zinc/08/47/81/571084781.db2.gz YQUJOCXTRSSULP-JLPGSUDCSA-N 0 1 373.481 5.711 40 30 FKEBMN C(=[NH+][N-]c1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000033395724 571084689 /nfs/dbraw/zinc/08/46/89/571084689.db2.gz CAXUSBRFKNHHGJ-HMAPJEAMSA-N 0 1 359.454 5.321 40 30 FKEBMN C(=NNc1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000033395724 571084687 /nfs/dbraw/zinc/08/46/87/571084687.db2.gz CAXUSBRFKNHHGJ-HMAPJEAMSA-N 0 1 359.454 5.321 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl ZINC000033405621 571084869 /nfs/dbraw/zinc/08/48/69/571084869.db2.gz BENNASCMHHJLCO-MTJSOVHGSA-N 0 1 368.824 5.102 40 30 FKEBMN COc1cc(C)c(C=C2SC(=N)C(c3nccs3)=C2O)cc1C(C)C ZINC000033653569 571310578 /nfs/dbraw/zinc/31/05/78/571310578.db2.gz RSYGIKOIMULKAT-COTUQWOHSA-N 0 1 372.515 5.001 40 30 FKEBMN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000033733898 571185619 /nfs/dbraw/zinc/18/56/19/571185619.db2.gz ZHHAQBXSQDCTSB-UKWGHVSLSA-N 0 1 353.636 6.229 40 30 FKEBMN CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1Cl ZINC000033757123 571185603 /nfs/dbraw/zinc/18/56/03/571185603.db2.gz MJRMYABQYPOCCE-WNFQYIGGSA-N 0 1 353.640 5.359 40 30 FKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1O ZINC000035189662 132935125 /nfs/dbraw/zinc/93/51/25/132935125.db2.gz HAEZVIADSYLZDY-CIAFOILYSA-N 0 1 373.840 5.003 40 30 FKEBMN CCCOc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000038190296 520435331 /nfs/dbraw/zinc/43/53/31/520435331.db2.gz ZSMQXOOEEVDDDQ-HMAPJEAMSA-N 0 1 361.470 5.684 40 30 FKEBMN O=[N+]([O-])[C@H](c1ccccc1)[C@H](C/C(=N/O)c1ccccc1)c1ccccc1 ZINC000038799278 205042436 /nfs/dbraw/zinc/04/24/36/205042436.db2.gz SCTWZSDTEFFVCK-DUCINKFISA-N 0 1 360.413 5.057 40 30 FKEBMN Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc32)cc1 ZINC000054996030 221055966 /nfs/dbraw/zinc/05/59/66/221055966.db2.gz LCKGQJOEHXQJOZ-UHFFFAOYSA-N 0 1 350.465 6.647 40 30 FKEBMN O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000055120941 221059676 /nfs/dbraw/zinc/05/96/76/221059676.db2.gz AKQPMFXBYIHSPS-OUKQBFOZSA-N 0 1 363.888 5.532 40 30 FKEBMN CCc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)cc1 ZINC000055129802 205208500 /nfs/dbraw/zinc/20/85/00/205208500.db2.gz MNIYMMRVWSQSAT-CCEZHUSRSA-N 0 1 357.497 5.441 40 30 FKEBMN Cc1ccc(C(=O)/C=C/C2=C(N3CCCCC3)Cc3ccccc32)c(C)c1 ZINC000055135328 205207995 /nfs/dbraw/zinc/20/79/95/205207995.db2.gz RGBVYZRSOMQWST-OUKQBFOZSA-N 0 1 357.497 5.496 40 30 FKEBMN O=C(/C=C/C1=C(N2CCCC2)CCc2ccccc21)c1ccc(Cl)cc1 ZINC000055153073 571116870 /nfs/dbraw/zinc/11/68/70/571116870.db2.gz OLWVBKHQLGLYFP-WYMLVPIESA-N 0 1 363.888 5.532 40 30 FKEBMN C[C@@H]1C(=NO)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000055459545 205218911 /nfs/dbraw/zinc/21/89/11/205218911.db2.gz DPZXORLWNADUGH-WPZAJUNFSA-N 0 1 363.288 5.481 40 30 FKEBMN Cc1sc(=NN=Cc2c(Cl)cccc2Cl)[nH]c1-c1ccccc1 ZINC000059193795 571088038 /nfs/dbraw/zinc/08/80/38/571088038.db2.gz IFDPJJQHAZXLKG-KEBDBYFISA-N 0 1 362.285 5.293 40 30 FKEBMN Cc1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000059194496 571088197 /nfs/dbraw/zinc/08/81/97/571088197.db2.gz DPVUOTFOBBHHCG-OEAKJJBVSA-N 0 1 373.481 5.630 40 30 FKEBMN Cc1ccccc1COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000059194509 571088119 /nfs/dbraw/zinc/08/81/19/571088119.db2.gz UCPTVHRHPVOTMQ-OEAKJJBVSA-N 0 1 373.481 5.630 40 30 FKEBMN Cc1cccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)c1 ZINC000059194511 571088169 /nfs/dbraw/zinc/08/81/69/571088169.db2.gz DZJGDQQYGXBNQV-OEAKJJBVSA-N 0 1 373.481 5.630 40 30 FKEBMN Oc1ccc(Cc2ccccc2)cc1C=NNc1nc2ccccc2s1 ZINC000059417904 571090407 /nfs/dbraw/zinc/09/04/07/571090407.db2.gz HAQJFQHNXNFIOX-HYARGMPZSA-N 0 1 359.454 5.039 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426965 221126641 /nfs/dbraw/zinc/12/66/41/221126641.db2.gz QHKYPMREEWPVAP-LPYMAVHISA-N 0 1 362.433 5.065 40 30 FKEBMN O=C1c2ccccc2C2=C1C(c1ccccc1)Sc1ccccc1C(=O)O2 ZINC000059428060 571090821 /nfs/dbraw/zinc/09/08/21/571090821.db2.gz JZYJFJHLSQFGDZ-JOCHJYFZSA-N 0 1 370.429 5.298 40 30 FKEBMN O=C1c2ccccc2C2=C1C(c1ccccc1)Sc1ccccc1C(=O)O2 ZINC000059428061 263419454 /nfs/dbraw/zinc/41/94/54/263419454.db2.gz JZYJFJHLSQFGDZ-QFIPXVFZSA-N 0 1 370.429 5.298 40 30 FKEBMN CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cccc(Cl)c1O ZINC000059475450 571091109 /nfs/dbraw/zinc/09/11/09/571091109.db2.gz XLBCOARBXUEPOP-LSHDLFTRSA-N 0 1 357.759 5.604 40 30 FKEBMN CCCCCCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000083328648 571100899 /nfs/dbraw/zinc/10/08/99/571100899.db2.gz MDWNSKOYMKSOAH-QNGOZBTKSA-N 0 1 353.491 5.701 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)cc1C ZINC000096022524 571097857 /nfs/dbraw/zinc/09/78/57/571097857.db2.gz UASHKYUFFWZDNX-XKZIYDEJSA-N 0 1 362.433 5.065 40 30 FKEBMN CCC(=NNc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1 ZINC000096400487 571187993 /nfs/dbraw/zinc/18/79/93/571187993.db2.gz KPWQKYGFPPAUHS-HMAPJEAMSA-N 0 1 361.194 6.238 40 30 FKEBMN CCCCCCCCOc1ccc(CN=Nc2ccc(F)cc2F)cc1 ZINC000097980695 571188279 /nfs/dbraw/zinc/18/82/79/571188279.db2.gz XDYNMSKGIGADBA-LFVJCYFKSA-N 0 1 360.448 6.150 40 30 FKEBMN CCCCCCCCOc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000097980868 571188198 /nfs/dbraw/zinc/18/81/98/571188198.db2.gz ARZIIICKDUVPQY-HAVVHWLPSA-N 0 1 364.493 5.748 40 30 FKEBMN CCCCCCCOc1ccccc1CN=Nc1nc2ccccc2[nH]1 ZINC000100171872 570759696 /nfs/dbraw/zinc/75/96/96/570759696.db2.gz XWQVJGMBHSBLGK-CJLVFECKSA-N 0 1 350.466 5.358 40 30 FKEBMN CCCCCCCOc1ccccc1C=NNc1nc2ccccc2[nH]1 ZINC000100171872 570759693 /nfs/dbraw/zinc/75/96/93/570759693.db2.gz XWQVJGMBHSBLGK-CJLVFECKSA-N 0 1 350.466 5.358 40 30 FKEBMN CCCCCCCOc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000100171982 570759541 /nfs/dbraw/zinc/75/95/41/570759541.db2.gz MTSDUOVSEXWIQZ-CJLVFECKSA-N 0 1 350.466 5.358 40 30 FKEBMN CCCCCCCCCCCCCCCCCCOC(=O)C=C(C)O ZINC000100309334 222240294 /nfs/dbraw/zinc/24/02/94/222240294.db2.gz BMOMBHKAYGMGCR-UHFFFAOYSA-N 0 1 354.575 6.770 40 30 FKEBMN Cc1cc(/C=N\c2ccc(O)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000100386046 210081990 /nfs/dbraw/zinc/08/19/90/210081990.db2.gz RBGZUQSSGZPMLS-JJFYIABZSA-N 0 1 359.256 5.857 40 30 FKEBMN CCOc1cccc(/C=N\c2ccc(O)c(-c3nc4ccccc4o3)c2)c1O ZINC000100505551 570761708 /nfs/dbraw/zinc/76/17/08/570761708.db2.gz LECADABKWRDUAC-QRVIBDJDSA-N 0 1 374.396 5.055 40 30 FKEBMN Cc1ccc(N=CCC(=Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000100661901 525966860 /nfs/dbraw/zinc/96/68/60/525966860.db2.gz QDHYADLDOWEAFU-ZBUHDKIXSA-N 0 1 360.888 6.703 40 30 FKEBMN Cc1ccc(Cl)cc1/N=C\c1cc(Cl)cc(Br)c1O ZINC000100933795 209220143 /nfs/dbraw/zinc/22/01/43/209220143.db2.gz CZWKEMJDDFTMJU-WSVATBPTSA-N 0 1 359.050 5.521 40 30 FKEBMN CCCCCCCOc1ccc(C(=O)N2C=Cc3ccccc3C2C#N)cc1 ZINC000100965331 209220857 /nfs/dbraw/zinc/22/08/57/209220857.db2.gz NULHVPJQZXWBIO-QHCPKHFHSA-N 0 1 374.484 5.727 40 30 FKEBMN CCCCCCCOc1ccc(C(=O)N2C=Cc3ccccc3C2C#N)cc1 ZINC000100965333 222257648 /nfs/dbraw/zinc/25/76/48/222257648.db2.gz NULHVPJQZXWBIO-HSZRJFAPSA-N 0 1 374.484 5.727 40 30 FKEBMN CC(=O)C(C(=O)Nc1cccc2ccccc21)=C(C)Nc1c(C)cccc1C ZINC000101400265 570512211 /nfs/dbraw/zinc/51/22/11/570512211.db2.gz YYQHFJCESYSBMT-OQKWZONESA-N 0 1 372.468 5.370 40 30 FKEBMN CCCCCCCOc1ccccc1C=NNc1nc2ccccc2s1 ZINC000101616348 520066362 /nfs/dbraw/zinc/06/63/62/520066362.db2.gz HBRKNQPFZVNCNL-JWGURIENSA-N 0 1 367.518 6.092 40 30 FKEBMN Cc1cc(/C=N/c2ccc(Cl)c(O)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000101627541 570765624 /nfs/dbraw/zinc/76/56/24/570765624.db2.gz JCIGIUWDHYIAJC-SSDVNMTOSA-N 0 1 359.256 5.857 40 30 FKEBMN CCCCCCCCCCCCCCCCSc1n[nH]c(=S)s1 ZINC000103003835 571122473 /nfs/dbraw/zinc/12/24/73/571122473.db2.gz VBEUZNRQQCFRHZ-UHFFFAOYSA-N 0 1 374.685 7.400 40 30 FKEBMN CCCCCCCCCCCC[NH2+]CC1=C([O-])C(=O)c2ccccc2C1=O ZINC000104084735 520010065 /nfs/dbraw/zinc/01/00/65/520010065.db2.gz OQROPUGEGAMNFO-UHFFFAOYSA-N 0 1 371.521 5.388 40 30 FKEBMN CCCCCCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000104097532 570520178 /nfs/dbraw/zinc/52/01/78/570520178.db2.gz PSMHLEWRGIGRNB-XTQSDGFTSA-N 0 1 353.466 6.162 40 30 FKEBMN CCCCCCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000104097536 222350154 /nfs/dbraw/zinc/35/01/54/222350154.db2.gz PSMHLEWRGIGRNB-LNVKXUELSA-N 0 1 353.466 6.162 40 30 FKEBMN CCCCCCCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O ZINC000104103245 520009707 /nfs/dbraw/zinc/00/97/07/520009707.db2.gz ZVIBBAZFFYXTRX-UHFFFAOYSA-N 0 1 357.494 5.346 40 30 FKEBMN CCCCCCCCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O ZINC000104106097 520007457 /nfs/dbraw/zinc/00/74/57/520007457.db2.gz KWYKKJVSZLAGES-UHFFFAOYSA-N 0 1 371.521 5.736 40 30 FKEBMN O=C(/C=N\O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000104119845 222349968 /nfs/dbraw/zinc/34/99/68/222349968.db2.gz GFOPCAHBNNNKQR-XYGWBWBKSA-N 0 1 366.420 5.658 40 30 FKEBMN O=[N+]([O-])[C@H](c1ccccc1)[C@@H](C/C(=N\O)c1ccccc1)c1ccccc1 ZINC000104155232 570520631 /nfs/dbraw/zinc/52/06/31/570520631.db2.gz SCTWZSDTEFFVCK-XZIUATRESA-N 0 1 360.413 5.057 40 30 FKEBMN CCCCCCCCCCCCCCCCN(O)C(=O)c1cnc[nH]1 ZINC000104200146 519999560 /nfs/dbraw/zinc/99/95/60/519999560.db2.gz HOUPZIOKQPMPBW-UHFFFAOYSA-N 0 1 351.535 5.722 40 30 FKEBMN O=C1c2ccccc2C(=O)C1C(=Nc1ccccc1Cl)c1ccccc1 ZINC000104223481 570521039 /nfs/dbraw/zinc/52/10/39/570521039.db2.gz CWRNGAKXQWAWNV-HIXSDJFHSA-N 0 1 359.812 5.156 40 30 FKEBMN O=C1c2ccccc2C(=O)C1C(=Nc1ccccc1Cl)c1ccccc1 ZINC000104223489 222352272 /nfs/dbraw/zinc/35/22/72/222352272.db2.gz CWRNGAKXQWAWNV-GFMRDNFCSA-N 0 1 359.812 5.156 40 30 FKEBMN CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCCN1 ZINC000104268333 519996559 /nfs/dbraw/zinc/99/65/59/519996559.db2.gz TUHZITOMTKDVLJ-QFIPXVFZSA-N 0 1 367.618 6.543 40 30 FKEBMN CCCCCCCCCCCCCCCCCCOC(=O)[C@H]1CCCN1 ZINC000104268337 519996591 /nfs/dbraw/zinc/99/65/91/519996591.db2.gz TUHZITOMTKDVLJ-JOCHJYFZSA-N 0 1 367.618 6.543 40 30 FKEBMN COc1cc(C)c(C=C2SC(=N)C(c3nccs3)=C2O)cc1C(C)C ZINC000137395322 570631908 /nfs/dbraw/zinc/63/19/08/570631908.db2.gz RSYGIKOIMULKAT-RCRSJKOXSA-N 0 1 372.515 5.001 40 30 FKEBMN Cc1ccc(Cl)cc1N=Cc1cc(Cl)cc(Br)c1O ZINC000254508953 571318005 /nfs/dbraw/zinc/31/80/05/571318005.db2.gz CZWKEMJDDFTMJU-UHFFFAOYSA-N 0 1 359.050 5.521 40 30 FKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccccc1Cl ZINC000408588236 570952418 /nfs/dbraw/zinc/95/24/18/570952418.db2.gz ILURVZGTYOLMPG-WSDLNYQXSA-N 0 1 363.852 5.070 40 30 FKEBMN Cc1ccc(-c2ccc(C=N[N-]c3[nH+]c4ccccc4n3C)o2)cc1Cl ZINC000408663363 570964865 /nfs/dbraw/zinc/96/48/65/570964865.db2.gz RWNDWNWKWVVADK-WSDLNYQXSA-N 0 1 364.836 5.241 40 30 FKEBMN CCOc1ccc2ccccc2c1C=NNc1nc2ccccc2n1CC ZINC000408692003 570649344 /nfs/dbraw/zinc/64/93/44/570649344.db2.gz BDALIWSADSGPDN-HZHRSRAPSA-N 0 1 358.445 5.054 40 30 FKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000408692167 570966229 /nfs/dbraw/zinc/96/62/29/570966229.db2.gz GCNCETZJGIWTAF-LPYMAVHISA-N 0 1 364.836 5.416 40 30 FKEBMN CCn1c2ccccc2nc1[N-][NH+]=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408692216 570966464 /nfs/dbraw/zinc/96/64/64/570966464.db2.gz HHTQLWHTGSZODO-BUVRLJJBSA-N 0 1 371.488 5.218 40 30 FKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408692216 570966462 /nfs/dbraw/zinc/96/64/62/570966462.db2.gz HHTQLWHTGSZODO-BUVRLJJBSA-N 0 1 371.488 5.218 40 30 FKEBMN CCn1c2ccccc2nc1[N-][NH+]=Cc1c2ccccc2cc2ccccc21 ZINC000408692296 570966129 /nfs/dbraw/zinc/96/61/29/570966129.db2.gz JGLDCWCPRCMVGQ-PCLIKHOPSA-N 0 1 364.452 5.809 40 30 FKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1c2ccccc2cc2ccccc21 ZINC000408692296 570966128 /nfs/dbraw/zinc/96/61/28/570966128.db2.gz JGLDCWCPRCMVGQ-PCLIKHOPSA-N 0 1 364.452 5.809 40 30 FKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccccc2)c1 ZINC000408692431 570966565 /nfs/dbraw/zinc/96/65/65/570966565.db2.gz MHBYQXABYHZZRJ-LFVJCYFKSA-N 0 1 370.456 5.081 40 30 FKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccccc2)cc1 ZINC000408692483 570966535 /nfs/dbraw/zinc/96/65/35/570966535.db2.gz NKJLWIQEEISPQT-LFVJCYFKSA-N 0 1 370.456 5.081 40 30 FKEBMN CCn1c2ccccc2nc1[N-][NH+]=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408692537 570966558 /nfs/dbraw/zinc/96/65/58/570966558.db2.gz OPZOWCSEQUEYES-BUVRLJJBSA-N 0 1 371.488 5.218 40 30 FKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408692537 570966555 /nfs/dbraw/zinc/96/65/55/570966555.db2.gz OPZOWCSEQUEYES-BUVRLJJBSA-N 0 1 371.488 5.218 40 30 FKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000408692559 570649725 /nfs/dbraw/zinc/64/97/25/570649725.db2.gz PIIHUKBJZZQBFX-LPYMAVHISA-N 0 1 364.836 5.416 40 30 FKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccccc1 ZINC000408692666 570966520 /nfs/dbraw/zinc/96/65/20/570966520.db2.gz RVJCVNQBOFROJK-LFVJCYFKSA-N 0 1 370.456 5.081 40 30 FKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccccc1 ZINC000408692666 570966515 /nfs/dbraw/zinc/96/65/15/570966515.db2.gz RVJCVNQBOFROJK-LFVJCYFKSA-N 0 1 370.456 5.081 40 30 FKEBMN CCCOc1ccc2ccccc2c1C=NNc1nc2ccccc2n1CC ZINC000408692749 570966337 /nfs/dbraw/zinc/96/63/37/570966337.db2.gz UHYYUYJBZZZIDV-LFVJCYFKSA-N 0 1 372.472 5.444 40 30 FKEBMN CCn1c2ccccc2nc1NN=Cc1c(OC(C)C)ccc2ccccc21 ZINC000408692796 570648827 /nfs/dbraw/zinc/64/88/27/570648827.db2.gz VQEAFWMNJDREDH-BUVRLJJBSA-N 0 1 372.472 5.443 40 30 FKEBMN CCn1c2ccccc2nc1[N-][NH+]=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408692899 570966252 /nfs/dbraw/zinc/96/62/52/570966252.db2.gz XYYKHRRSHIZQPQ-BUVRLJJBSA-N 0 1 371.488 5.218 40 30 FKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408692899 570966248 /nfs/dbraw/zinc/96/62/48/570966248.db2.gz XYYKHRRSHIZQPQ-BUVRLJJBSA-N 0 1 371.488 5.218 40 30 FKEBMN CCCCCCCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000408737086 263493209 /nfs/dbraw/zinc/49/32/09/263493209.db2.gz HZNXPKAJFFUGJS-JWGURIENSA-N 0 1 367.518 6.092 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737546 570975029 /nfs/dbraw/zinc/97/50/29/570975029.db2.gz DABMYWNZQONNGK-CIAFOILYSA-N 0 1 368.824 5.102 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741619 570976965 /nfs/dbraw/zinc/97/69/65/570976965.db2.gz QZVXULAHNDUZKW-XKZIYDEJSA-N 0 1 362.433 5.065 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408760134 570619857 /nfs/dbraw/zinc/61/98/57/570619857.db2.gz SEUPRWMMYCOIPU-CIAFOILYSA-N 0 1 368.824 5.102 40 30 FKEBMN CCc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408764657 570986917 /nfs/dbraw/zinc/98/69/17/570986917.db2.gz XZZDRLQXBMEXBI-HYARGMPZSA-N 0 1 362.433 5.011 40 30 FKEBMN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408782434 570686848 /nfs/dbraw/zinc/68/68/48/570686848.db2.gz GZXRRKKHRVBPEJ-NHDPSOOVSA-N 0 1 369.808 5.112 40 30 FKEBMN CCc1ccccc1-n1c(C)cc(CN=Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000408908136 263506418 /nfs/dbraw/zinc/50/64/18/263506418.db2.gz BCFOEICDPWJUNK-HMAPJEAMSA-N 0 1 362.433 5.011 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C)ccc1C ZINC000408911998 570698392 /nfs/dbraw/zinc/69/83/92/570698392.db2.gz PIZAMWZYNHECAQ-XKZIYDEJSA-N 0 1 362.433 5.065 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C)c1C ZINC000408913445 570698843 /nfs/dbraw/zinc/69/88/43/570698843.db2.gz UQTYKUZINNFHHR-XKZIYDEJSA-N 0 1 362.433 5.065 40 30 FKEBMN Brc1cc(CN=Nc2ccccn2)oc1Sc1ccccc1 ZINC000408995741 570709029 /nfs/dbraw/zinc/70/90/29/570709029.db2.gz DMQJTEDJQHSUEO-ODLFYWEKSA-N 0 1 374.263 5.034 40 30 FKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1c(C)cccc1C ZINC000408999496 570710611 /nfs/dbraw/zinc/71/06/11/570710611.db2.gz LJYAVRFOTMRTRV-XKZIYDEJSA-N 0 1 362.433 5.065 40 30 FKEBMN CCCCOc1ccc2ccccc2c1C=NN=c1ccc2ccccc2[nH]1 ZINC000409009135 571110952 /nfs/dbraw/zinc/11/09/52/571110952.db2.gz WSGSCRUHWUOWPR-KOEQRZSOSA-N 0 1 369.468 6.013 40 30 FKEBMN CCCOc1ccc2ccccc2c1C=NN=c1ccc2ccccc2[nH]1 ZINC000409017484 570712944 /nfs/dbraw/zinc/71/29/44/570712944.db2.gz WXKZCFFVFDKJPM-LFVJCYFKSA-N 0 1 355.441 5.623 40 30 FKEBMN C(=NNc1nc2ccccc2[nH]1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000409044714 570715909 /nfs/dbraw/zinc/71/59/09/570715909.db2.gz OWDLQFUGXYMPLB-ZVHZXABRSA-N 0 1 365.440 5.012 40 30 FKEBMN O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409045174 570715977 /nfs/dbraw/zinc/71/59/77/570715977.db2.gz FNJJBGXGOXGRFP-KPSZGOFPSA-N 0 1 365.043 5.687 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccccc3)cc2)nc1 ZINC000409065059 570717996 /nfs/dbraw/zinc/71/79/96/570717996.db2.gz GYDNKKVHMOVHOW-WYMPLXKRSA-N 0 1 373.403 5.698 40 30 FKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc(C)c1 ZINC000409067272 571127984 /nfs/dbraw/zinc/12/79/84/571127984.db2.gz XHCQTBUMRHWWGV-LPYMAVHISA-N 0 1 360.486 5.458 40 30 FKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cccc(C)c1 ZINC000409067272 571127981 /nfs/dbraw/zinc/12/79/81/571127981.db2.gz XHCQTBUMRHWWGV-LPYMAVHISA-N 0 1 360.486 5.458 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3)o2)nc1 ZINC000409073583 571130302 /nfs/dbraw/zinc/13/03/02/571130302.db2.gz QLBOYFQLEYTDBA-AUEPDCJTSA-N 0 1 365.742 5.460 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2Sc2ccccc2)nc1 ZINC000409088391 571133725 /nfs/dbraw/zinc/13/37/25/571133725.db2.gz LKKLEONIVXWVDN-MSXFZWOLSA-N 0 1 373.403 5.698 40 30 FKEBMN CC(=O)c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000409093862 570721093 /nfs/dbraw/zinc/72/10/93/570721093.db2.gz BCJBXZFKIWSRBP-BHGWPJFGSA-N 0 1 373.334 5.009 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)nc1 ZINC000409094566 571133994 /nfs/dbraw/zinc/13/39/94/571133994.db2.gz FUNGAYKRJUQITN-AUEPDCJTSA-N 0 1 365.742 5.460 40 30 FKEBMN CCOc1ccc2ccccc2c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000409094831 570721193 /nfs/dbraw/zinc/72/11/93/570721193.db2.gz GHTBNPYSYWNPQV-WYMPLXKRSA-N 0 1 359.351 5.098 40 30 FKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccccc3)o2)nc1 ZINC000409097949 570723548 /nfs/dbraw/zinc/72/35/48/570723548.db2.gz OAVGQWHRWVVXII-SSDVNMTOSA-N 0 1 363.364 5.291 40 30 FKEBMN CC[C@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409105678 571134602 /nfs/dbraw/zinc/13/46/02/571134602.db2.gz LPMFLLZCHLTFLK-LGPHULDDSA-N 0 1 371.790 5.377 40 30 FKEBMN CC[C@@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409105684 571134488 /nfs/dbraw/zinc/13/44/88/571134488.db2.gz LPMFLLZCHLTFLK-XARWVIDASA-N 0 1 371.790 5.377 40 30 FKEBMN CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)c2ccccc12 ZINC000409108389 571134797 /nfs/dbraw/zinc/13/47/97/571134797.db2.gz XHDZBAUMYFDQBL-BHGWPJFGSA-N 0 1 359.351 5.098 40 30 FKEBMN Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409210960 570740934 /nfs/dbraw/zinc/74/09/34/570740934.db2.gz MCHWUMNTXYDCMH-FYJGNVAPSA-N 0 1 368.230 5.698 40 30 FKEBMN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(O)c(Cl)c3)sc2C1 ZINC000409211285 571218421 /nfs/dbraw/zinc/21/84/21/571218421.db2.gz NIIBCHLDHZCUMS-DOQYOOLYSA-N 0 1 372.921 5.880 40 30 FKEBMN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(O)c(Cl)c3)sc2C1 ZINC000409211292 571218529 /nfs/dbraw/zinc/21/85/29/571218529.db2.gz NIIBCHLDHZCUMS-ICXMQADFSA-N 0 1 372.921 5.880 40 30 FKEBMN CCCCCCCCCCCCCCCCSc1n[nH]c(=S)s1 ZINC000521395853 571110771 /nfs/dbraw/zinc/11/07/71/571110771.db2.gz PVDFOZZREMZKAU-GOSISDBHSA-N 0 1 374.685 7.968 40 30 FKEBMN CCCCCCCCCCCCCCCCSc1n[nH]c(=S)s1 ZINC000521395854 571110733 /nfs/dbraw/zinc/11/07/33/571110733.db2.gz PVDFOZZREMZKAU-SFHVURJKSA-N 0 1 374.685 7.968 40 30 FKEBMN