smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000003998737 291144096 /nfs/dbraw/zinc/14/40/96/291144096.db2.gz XOEFQGQIXMPRIN-ONCYQHJISA-N 0 1 398.506 5.029 40 30 biogenic,in-vitro GKEBMN O=C1/C(=C/c2ccccc2)CCC/C1=C/c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000001650741 209335938 /nfs/dbraw/zinc/33/59/38/209335938.db2.gz KQXDRRPPRVKAFE-VLKJOQIWSA-N 0 1 387.523 5.598 40 30 GKEBMN CN(CC#C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000002100938 209167828 /nfs/dbraw/zinc/16/78/28/209167828.db2.gz VSJACZVSLVSJHV-GVUKDKGQSA-N 0 1 389.539 5.219 40 30 GKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1cccc2ccccc21 ZINC000408591262 534014500 /nfs/dbraw/zinc/01/45/00/534014500.db2.gz SKGZVEANNCYHPV-MFKUBSTISA-N 0 1 379.467 5.570 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3[nH]2)c(C)n1-c1cccc2ccccc21 ZINC000408591262 534014511 /nfs/dbraw/zinc/01/45/11/534014511.db2.gz SKGZVEANNCYHPV-MFKUBSTISA-N 0 1 379.467 5.570 40 30 GKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cc(Cl)ccc1C ZINC000408591786 534014682 /nfs/dbraw/zinc/01/46/82/534014682.db2.gz VCTGTWXFADURGK-FSJBWODESA-N 0 1 394.931 6.112 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cc(Cl)ccc1C ZINC000408591786 534014690 /nfs/dbraw/zinc/01/46/90/534014690.db2.gz VCTGTWXFADURGK-FSJBWODESA-N 0 1 394.931 6.112 40 30 GKEBMN CCCCCCCCCCOC(=O)CSc1nc2ccc(OCC)cc2[nH]1 ZINC000100835255 520019005 /nfs/dbraw/zinc/01/90/05/520019005.db2.gz OTXURFKJJLPOBS-UHFFFAOYSA-N 0 1 392.565 5.738 40 30 GKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(F)cc1 ZINC000059194422 534567077 /nfs/dbraw/zinc/56/70/77/534567077.db2.gz ABVMWDWINOLOEA-YDZHTSKRSA-N 0 1 391.427 5.101 40 30 GKEBMN O=C(Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)c1ccc(F)cc1 ZINC000059194422 534567083 /nfs/dbraw/zinc/56/70/83/534567083.db2.gz ABVMWDWINOLOEA-YDZHTSKRSA-N 0 1 391.427 5.101 40 30 GKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(Cl)cc2)cc1 ZINC000104094065 525614626 /nfs/dbraw/zinc/61/46/26/525614626.db2.gz IRBCNWCDLIIFLC-HMAPJEAMSA-N 0 1 384.888 5.200 40 30 GKEBMN Cc1ccc(-c2nc3ccccc3o2)cc1/N=C\c1cc([N+](=O)[O-])cc(C)c1O ZINC000100111433 525824534 /nfs/dbraw/zinc/82/45/34/525824534.db2.gz ZKCNREVYXLMTQL-FMCGGJTJSA-N 0 1 387.395 5.476 40 30 GKEBMN Clc1cccc(Cl)c1C=NN=c1nc[nH]c2sc3c(c21)CCCC3 ZINC000013602715 526977442 /nfs/dbraw/zinc/97/74/42/526977442.db2.gz STWZWWJJVVDBCK-UYOCIXKTSA-N 0 1 377.300 5.323 40 30 GKEBMN O=[N+]([O-])c1ccc(Cl)cc1C=NNc1c2ccccc2nc2ccccc21 ZINC000013284006 527356140 /nfs/dbraw/zinc/35/61/40/527356140.db2.gz SRSKCFIPUCWZFU-WSDLNYQXSA-N 0 1 376.803 5.396 40 30 GKEBMN FC(F)(F)c1ccccc1NN=Cc1sc(Nc2ccccc2)nc1Cl ZINC000007140972 527687154 /nfs/dbraw/zinc/68/71/54/527687154.db2.gz AFQGSKBIDYNQMA-LSHDLFTRSA-N 0 1 396.825 6.005 40 30 GKEBMN CCOc1ccc(Cl)cc1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409095615 528471268 /nfs/dbraw/zinc/47/12/68/528471268.db2.gz BNDZROQAZURDML-NKVSQWTQSA-N 0 1 387.745 5.112 40 30 GKEBMN C=CCc1cc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc(OC)c1OCC ZINC000012222178 570236394 /nfs/dbraw/zinc/23/63/94/570236394.db2.gz ICZHPSUUJZTUBH-OAQYLSRUSA-N 0 1 391.515 5.036 40 30 GKEBMN Cc1cc([N+](=O)[O-])cc(/C=N\c2ccc(-c3nc4ccccc4s3)cc2)c1O ZINC000100926135 570279449 /nfs/dbraw/zinc/27/94/49/570279449.db2.gz UTSODLVWCAIESI-UUYOSTAYSA-N 0 1 389.436 5.636 40 30 GKEBMN CCCCCCCCCCCCCCOc1ccc(C2=[NH+]C[C@@H](C)N2)c([O-])c1 ZINC000100934001 570279584 /nfs/dbraw/zinc/27/95/84/570279584.db2.gz AYZLAIJRVSRSBJ-HXUWFJFHSA-N 0 1 388.596 6.210 40 30 GKEBMN COc1cccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 ZINC000002816603 570304764 /nfs/dbraw/zinc/30/47/64/570304764.db2.gz QEHHPXIRYCLHNX-WYMPLXKRSA-N 0 1 396.277 6.296 40 30 GKEBMN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)S2)cc1 ZINC000408756531 570394033 /nfs/dbraw/zinc/39/40/33/570394033.db2.gz ZQAMUDBFAUXSNN-NVNXTCNLSA-N 0 1 393.295 5.153 40 30 GKEBMN CC(=NNc1nc2ccccc2s1)c1ccc2c(c1)Sc1ccccc1O2 ZINC000005052260 570426369 /nfs/dbraw/zinc/42/63/69/570426369.db2.gz YWBRWAVVINBCAK-YDZHTSKRSA-N 0 1 389.505 5.811 40 30 GKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)cc1 ZINC000136296253 570496421 /nfs/dbraw/zinc/49/64/21/570496421.db2.gz IBWRHXDQLZWYHY-BBBSXOBRSA-N 0 1 393.537 5.277 40 30 GKEBMN Cc1nn(-c2ccccc2)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000033498321 570645628 /nfs/dbraw/zinc/64/56/28/570645628.db2.gz VZQMCZZZQMHMFX-YVNNLAQVSA-N 0 1 393.705 5.895 40 30 GKEBMN Fc1ccccc1COc1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000059418084 570656557 /nfs/dbraw/zinc/65/65/57/570656557.db2.gz QIBFLJLBFJSCGE-YDZHTSKRSA-N 0 1 377.444 5.460 40 30 GKEBMN Fc1ccccc1COc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1 ZINC000059418084 570656560 /nfs/dbraw/zinc/65/65/60/570656560.db2.gz QIBFLJLBFJSCGE-YDZHTSKRSA-N 0 1 377.444 5.460 40 30 GKEBMN Fc1ccccc1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000059418085 570656601 /nfs/dbraw/zinc/65/66/01/570656601.db2.gz PXSGPWVJEXAMRV-YDZHTSKRSA-N 0 1 377.444 5.460 40 30 GKEBMN Fc1ccccc1COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000059418085 570656603 /nfs/dbraw/zinc/65/66/03/570656603.db2.gz PXSGPWVJEXAMRV-YDZHTSKRSA-N 0 1 377.444 5.460 40 30 GKEBMN Cc1cc(/N=C/Nc2ccc(Br)c(C)c2)ccc1Br ZINC000005394228 570732507 /nfs/dbraw/zinc/73/25/07/570732507.db2.gz VTCHRRQXAOWJBQ-UHFFFAOYSA-N 0 1 382.099 5.600 40 30 GKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(Cl)c(Cl)c1 ZINC000005943791 570736883 /nfs/dbraw/zinc/73/68/83/570736883.db2.gz AQRLMQJKMWRPJN-IFRROFPPSA-N 0 1 378.137 5.366 40 30 GKEBMN Clc1ccc(COc2ccc(CN=Nc3nc4ccccc4[nH]3)cc2)cc1 ZINC000012967314 570817504 /nfs/dbraw/zinc/81/75/04/570817504.db2.gz KSALMCYUAHPUPQ-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000014163649 570878890 /nfs/dbraw/zinc/87/88/90/570878890.db2.gz NJJVRILPGLBSIR-OYLFLEFRSA-N 0 1 399.494 5.135 40 30 GKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000408692929 231094942 /nfs/dbraw/zinc/09/49/42/231094942.db2.gz YRTDWHIEXIOAHE-WGOQTCKBSA-N 0 1 393.494 5.505 40 30 GKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408692287 231095256 /nfs/dbraw/zinc/09/52/56/231095256.db2.gz JBUHDUZUSYUTPE-FSJBWODESA-N 0 1 399.281 6.069 40 30 GKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408692768 231095772 /nfs/dbraw/zinc/09/57/72/231095772.db2.gz UUMLMNKOUQDUQZ-ZVHZXABRSA-N 0 1 391.906 5.563 40 30 GKEBMN Cc1cccc(Cn2cc(CN=Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 ZINC000409002433 231145654 /nfs/dbraw/zinc/14/56/54/231145654.db2.gz ZVSFXFNDVFCFPK-ZVHZXABRSA-N 0 1 384.439 5.352 40 30 GKEBMN FC(F)(F)c1cccc(-n2cccc2C=NN=c2ccc3ccccc3[nH]2)c1 ZINC000408943802 231134348 /nfs/dbraw/zinc/13/43/48/231134348.db2.gz YZWMGIKAXRBUKQ-AFUMVMLFSA-N 0 1 380.373 5.490 40 30 GKEBMN Cc1ccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409094059 231158445 /nfs/dbraw/zinc/15/84/45/231158445.db2.gz CNPFZNAUUJUYMG-RPPGKUMJSA-N 0 1 385.389 5.434 40 30 GKEBMN CCc1cccc(C)c1-n1c(C)cc(CN=Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000408960203 529733713 /nfs/dbraw/zinc/73/37/13/529733713.db2.gz JNBMYQLNPZPGGS-OEAKJJBVSA-N 0 1 376.460 5.319 40 30 GKEBMN CC(N=Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000035087326 209343646 /nfs/dbraw/zinc/34/36/46/209343646.db2.gz XKERWGWPQXHKAU-OPVMPGTRSA-N 0 1 380.719 6.214 40 30 GKEBMN Cc1c2[nH]c3ccccc3c2c(C)c2c1C=CN(C(=O)c1ccccc1)C2C#N ZINC000001572300 209331799 /nfs/dbraw/zinc/33/17/99/209331799.db2.gz JGENIMKZFTZVGX-OAQYLSRUSA-N 0 1 377.447 5.629 40 30 GKEBMN Cc1ccc(/N=C(\c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004530012 212064391 /nfs/dbraw/zinc/06/43/91/212064391.db2.gz ZHGGCXUNKBORLK-BYYHNAKLSA-N 0 1 376.503 6.780 40 30 GKEBMN Cc1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc(Cl)c4O)cc3)nc2c1 ZINC000005547812 204138741 /nfs/dbraw/zinc/13/87/41/204138741.db2.gz DHAPIENYWSEKJB-MYKKPKGFSA-N 0 1 397.261 6.566 40 30 GKEBMN O=C1/C(=C\c2ccccc2)CCC/C1=C/c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000008665903 204283045 /nfs/dbraw/zinc/28/30/45/204283045.db2.gz KQXDRRPPRVKAFE-IDUDEYGOSA-N 0 1 387.523 5.598 40 30 GKEBMN COc1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000003140368 211519266 /nfs/dbraw/zinc/51/92/66/211519266.db2.gz UAWIDJOYSHGVIJ-WYMPLXKRSA-N 0 1 396.277 6.296 40 30 GKEBMN CC(C)CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000030823030 207375397 /nfs/dbraw/zinc/37/53/97/207375397.db2.gz LUHGCJFMGQWZRG-QFIPXVFZSA-N 0 1 380.513 5.301 40 30 GKEBMN CC(C)=CCc1cc(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2O)ccc1O ZINC000014780701 221317781 /nfs/dbraw/zinc/31/77/81/221317781.db2.gz CBGDCCSHOGQUSW-MDWZMJQESA-N 0 1 392.495 5.717 40 30 biogenic,in-vitro GKEBMN COc1ccc(Cl)cc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3[nH]2)c1C ZINC000408588783 533830239 /nfs/dbraw/zinc/83/02/39/533830239.db2.gz JRCXSXMMDSCVTD-FSJBWODESA-N 0 1 393.878 5.078 40 30 GKEBMN CCCCCCCCCCCCN[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000100693341 520009308 /nfs/dbraw/zinc/00/93/08/520009308.db2.gz TYYYUJPIJMFBJG-RUZDIDTESA-N 0 1 379.588 7.121 40 30 GKEBMN CCCCCCCCN[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000095536658 520036743 /nfs/dbraw/zinc/03/67/43/520036743.db2.gz TUZKPWGHNMHLGC-NRFANRHFSA-N 0 1 392.370 6.868 40 30 GKEBMN O=C(Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1)c1ccccc1F ZINC000408947529 534568946 /nfs/dbraw/zinc/56/89/46/534568946.db2.gz AYYNKIJYVSOLIH-YDZHTSKRSA-N 0 1 391.427 5.101 40 30 GKEBMN Clc1cccc(COc2ccccc2C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000409032493 534643940 /nfs/dbraw/zinc/64/39/40/534643940.db2.gz CFSPTQMJAWFVNZ-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN Clc1cccc(COc2ccccc2CN=Nc2nc3ccccc3[nH]2)c1 ZINC000409032493 534643946 /nfs/dbraw/zinc/64/39/46/534643946.db2.gz CFSPTQMJAWFVNZ-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(Cl)cc2)cc1 ZINC000017429152 525614983 /nfs/dbraw/zinc/61/49/83/525614983.db2.gz IRBCNWCDLIIFLC-HYARGMPZSA-N 0 1 384.888 5.200 40 30 GKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000016268372 526096188 /nfs/dbraw/zinc/09/61/88/526096188.db2.gz ZXXDSLINQXJTLY-UCQKPKSFSA-N 0 1 376.460 5.572 40 30 GKEBMN Oc1cc(/N=N/c2ccccc2)ccc1/C=N/N=C1/C[C@H](c2ccccc2)N=N1 ZINC000057537127 526332056 /nfs/dbraw/zinc/33/20/56/526332056.db2.gz GKBOKPIRBDNFBV-XGGLOVQASA-N 0 1 382.427 6.137 40 30 GKEBMN CC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000299888469 526387159 /nfs/dbraw/zinc/38/71/59/526387159.db2.gz KGRBTTOECAZCNW-UHFFFAOYSA-N 0 1 398.572 5.275 40 30 GKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000002700079 526387730 /nfs/dbraw/zinc/38/77/30/526387730.db2.gz WFIRVKGWCKVHRG-JCMHNJIXSA-N 0 1 378.501 5.663 40 30 GKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000254593394 526760572 /nfs/dbraw/zinc/76/05/72/526760572.db2.gz KULJHHVXYYYLFI-LEGYYREDSA-N 0 1 396.947 6.019 40 30 GKEBMN O=C(/C=C/C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Br)cc1 ZINC000055112191 527592764 /nfs/dbraw/zinc/59/27/64/527592764.db2.gz SGJCWZQCTZPTIL-VAWYXSNFSA-N 0 1 394.312 5.251 40 30 GKEBMN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000208462402 570261129 /nfs/dbraw/zinc/26/11/29/570261129.db2.gz KRQDANOGYOYCPQ-FMCGGJTJSA-N 0 1 383.879 5.116 40 30 GKEBMN CCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 ZINC000005501733 570443022 /nfs/dbraw/zinc/44/30/22/570443022.db2.gz IUZIWRRBAVLZEX-KEBDBYFISA-N 0 1 395.684 5.297 40 30 GKEBMN CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000005841316 570458794 /nfs/dbraw/zinc/45/87/94/570458794.db2.gz BWXQJGKGEKJGDR-AWQFTUOYSA-N 0 1 395.684 5.153 40 30 GKEBMN Cc1cc2c(cc1CN=Nc1ccc([N+](=O)[O-])cn1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223588027 570473329 /nfs/dbraw/zinc/47/33/29/570473329.db2.gz VMYWNDFZSMKRQO-UPVZUOOXSA-N 0 1 395.507 5.245 40 30 GKEBMN CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000000793537 570482039 /nfs/dbraw/zinc/48/20/39/570482039.db2.gz LDCRFKBXKHBQTF-KTMXNEEYSA-N 0 1 382.685 5.778 40 30 GKEBMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccccc1N1CCCC1 ZINC000006615550 570484889 /nfs/dbraw/zinc/48/48/89/570484889.db2.gz FECUNAFWMHATGK-RGVLZGJSSA-N 0 1 379.685 5.159 40 30 GKEBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1sc2ccccc2c1C#N ZINC000100931058 570578266 /nfs/dbraw/zinc/57/82/66/570578266.db2.gz DNGPBUVAUMLHGY-GZTJUZNOSA-N 0 1 392.871 5.145 40 30 GKEBMN Cc1ccccc1C(=O)Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000059194498 570651654 /nfs/dbraw/zinc/65/16/54/570651654.db2.gz LNWCJELXERALII-OEAKJJBVSA-N 0 1 387.464 5.270 40 30 GKEBMN Cc1ccccc1C(=O)Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000059194498 570651655 /nfs/dbraw/zinc/65/16/55/570651655.db2.gz LNWCJELXERALII-OEAKJJBVSA-N 0 1 387.464 5.270 40 30 GKEBMN COc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1OC ZINC000005019384 570657593 /nfs/dbraw/zinc/65/75/93/570657593.db2.gz DJGMRHSEWBIBJZ-DNTJNYDQSA-N 0 1 389.666 5.119 40 30 GKEBMN CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(OC(F)F)cc1 ZINC000012525020 570676001 /nfs/dbraw/zinc/67/60/01/570676001.db2.gz MUHJGAZDKNXFEJ-LFVJCYFKSA-N 0 1 375.806 5.716 40 30 GKEBMN Fc1ccccc1COc1ccccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000409103453 570737363 /nfs/dbraw/zinc/73/73/63/570737363.db2.gz BNDUPCBSHLJEHA-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000014163652 570878867 /nfs/dbraw/zinc/87/88/67/570878867.db2.gz NJJVRILPGLBSIR-MYYSRTQBSA-N 0 1 399.494 5.135 40 30 GKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000016431646 570924612 /nfs/dbraw/zinc/92/46/12/570924612.db2.gz FVMOIVWHKSQJQH-LSHDLFTRSA-N 0 1 386.676 5.811 40 30 GKEBMN O/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103850956 231014556 /nfs/dbraw/zinc/01/45/56/231014556.db2.gz VJRFYEBSNYOOMA-CNHKJKLMSA-N 0 1 375.049 5.143 40 30 GKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(C)cc2)c1 ZINC000408692042 231095601 /nfs/dbraw/zinc/09/56/01/231095601.db2.gz CAUIUGJRBRUCCF-PCLIKHOPSA-N 0 1 384.483 5.390 40 30 GKEBMN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1 ZINC000408908797 231129050 /nfs/dbraw/zinc/12/90/50/231129050.db2.gz DEYBEZRATKSOBC-IWIPYMOSSA-N 0 1 384.439 5.352 40 30 GKEBMN Fc1ccccc1COc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000409096550 231159270 /nfs/dbraw/zinc/15/92/70/231159270.db2.gz LJVQIWCCDGEFNI-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc(C(F)(F)F)cn2)o1 ZINC000409100846 231160645 /nfs/dbraw/zinc/16/06/45/231160645.db2.gz WWSJJQYBUCARBW-RMORIDSASA-N 0 1 390.321 5.023 40 30 GKEBMN Cc1ccc(Sc2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000409108521 231162665 /nfs/dbraw/zinc/16/26/65/231162665.db2.gz WLMZYSUIJOVOII-FOKLQQMPSA-N 0 1 377.391 5.599 40 30 GKEBMN Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1 ZINC000005588195 212067323 /nfs/dbraw/zinc/06/73/23/212067323.db2.gz YWKOIKUXOFJTPB-UHFFFAOYSA-N 0 1 379.301 6.256 40 30 GKEBMN Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000003043479 211518039 /nfs/dbraw/zinc/51/80/39/211518039.db2.gz HHCAWRHERPKNMS-BHGWPJFGSA-N 0 1 397.261 6.566 40 30 GKEBMN CC(=C\c1ccccc1)/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000030750401 207374394 /nfs/dbraw/zinc/37/43/94/207374394.db2.gz CUYZFUYCEZRIGY-YYOSOVAVSA-N 0 1 393.534 5.463 40 30 GKEBMN CCCCCCCCCCCC[NH2+][C@H](C)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000104083510 520010413 /nfs/dbraw/zinc/01/04/13/520010413.db2.gz UGZSECUAULSVSQ-GOSISDBHSA-N 0 1 385.548 5.777 40 30 GKEBMN Fc1ccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409094551 534471760 /nfs/dbraw/zinc/47/17/60/534471760.db2.gz DRBUTSZYZXPIIU-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000098032977 534639284 /nfs/dbraw/zinc/63/92/84/534639284.db2.gz ROCZVFPCQCMNHX-QRVIBDJDSA-N 0 1 393.899 5.975 40 30 GKEBMN Clc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000098032977 534639290 /nfs/dbraw/zinc/63/92/90/534639290.db2.gz ROCZVFPCQCMNHX-QRVIBDJDSA-N 0 1 393.899 5.975 40 30 GKEBMN Clc1ccccc1COc1cccc(CN=Nc2nc3ccccc3[nH]2)c1 ZINC000409178771 534651307 /nfs/dbraw/zinc/65/13/07/534651307.db2.gz ONAHEEXDZKATHP-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O ZINC000016269585 525556256 /nfs/dbraw/zinc/55/62/56/525556256.db2.gz UTSODLVWCAIESI-WSDLNYQXSA-N 0 1 389.436 5.636 40 30 GKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCC ZINC000409107084 527229118 /nfs/dbraw/zinc/22/91/18/527229118.db2.gz URJSRYOZLSCCPU-BRJLIKDPSA-N 0 1 393.409 5.072 40 30 GKEBMN O/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000100250123 527589709 /nfs/dbraw/zinc/58/97/09/527589709.db2.gz XWUJKIWEJJFRCN-WSVATBPTSA-N 0 1 375.049 5.143 40 30 GKEBMN CCCCCCCCCCCCCCSC/C(=N\O)c1cc(C)ccc1O ZINC000100933972 528123864 /nfs/dbraw/zinc/12/38/64/528123864.db2.gz QCNORQGDFRXGQW-ZNTNEXAZSA-N 0 1 393.637 7.313 40 30 GKEBMN Clc1cc(Cl)c(N=NCc2ccccc2Br)c(Cl)c1 ZINC000005785645 570218703 /nfs/dbraw/zinc/21/87/03/570218703.db2.gz XREKREPGKUOVTC-CNHKJKLMSA-N 0 1 378.484 5.855 40 30 GKEBMN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000208249514 570255215 /nfs/dbraw/zinc/25/52/15/570255215.db2.gz CDPOQTXZGMZOAY-OTTIKCOKSA-N 0 1 385.895 5.206 40 30 GKEBMN Oc1cc(/N=N/c2ccccc2)ccc1/C=N/N=C1/C[C@@H](c2ccccc2)N=N1 ZINC000006530072 570276871 /nfs/dbraw/zinc/27/68/71/570276871.db2.gz GKBOKPIRBDNFBV-ZQHMUTGJSA-N 0 1 382.427 6.137 40 30 GKEBMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccccc3)ccc21 ZINC000002349539 570283928 /nfs/dbraw/zinc/28/39/28/570283928.db2.gz XNQFSPSPIVINEQ-IWIPYMOSSA-N 0 1 397.507 5.618 40 30 GKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c(F)cccc2Cl)cc1 ZINC000004480047 570377413 /nfs/dbraw/zinc/37/74/13/570377413.db2.gz ZCCZZDMVFOBRAM-JJFYIABZSA-N 0 1 388.899 5.580 40 30 GKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000005543467 570444656 /nfs/dbraw/zinc/44/46/56/570444656.db2.gz OGBFWWWIFVISIH-HAHDFKILSA-N 0 1 392.528 5.450 40 30 GKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1cc([N+](=O)[O-])ccc1F ZINC000039921292 570447046 /nfs/dbraw/zinc/44/70/46/570447046.db2.gz HYVMWUZODZJCGC-FQEVSTJZSA-N 0 1 398.459 5.636 40 30 GKEBMN CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000005841280 570458617 /nfs/dbraw/zinc/45/86/17/570458617.db2.gz PACSHJZSRNDUJV-AWQFTUOYSA-N 0 1 395.684 5.153 40 30 GKEBMN Cc1cc2c(cc1C=[NH+]Nc1ccc(C(=O)[O-])cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223595941 570473730 /nfs/dbraw/zinc/47/37/30/570473730.db2.gz TVYCLMSNKXHJSK-YMKHCOABSA-N 0 1 393.531 5.640 40 30 GKEBMN CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc12 ZINC000136210692 570495593 /nfs/dbraw/zinc/49/55/93/570495593.db2.gz YOKDBJOFUHPTBZ-IZDDVYCDSA-N 0 1 380.494 5.113 40 30 GKEBMN CC(C)CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000030823031 570497239 /nfs/dbraw/zinc/49/72/39/570497239.db2.gz LUHGCJFMGQWZRG-JOCHJYFZSA-N 0 1 380.513 5.301 40 30 GKEBMN Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc([N+](=O)[O-])cc(C)c1O ZINC000035189663 570550860 /nfs/dbraw/zinc/55/08/60/570550860.db2.gz LWSNIFGJAGOCTF-FSJBWODESA-N 0 1 386.411 5.211 40 30 GKEBMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1sc2ccccc2c1C#N ZINC000100931060 570578311 /nfs/dbraw/zinc/57/83/11/570578311.db2.gz ZWWMSOMIGJRVFQ-GZTJUZNOSA-N 0 1 392.871 5.145 40 30 GKEBMN CC(C)(C)c1cc(C=NNc2nc3ccccc3s2)cc(C(C)(C)C)c1O ZINC000083261938 570628644 /nfs/dbraw/zinc/62/86/44/570628644.db2.gz ZMGGMOYACNGKQH-QRVIBDJDSA-N 0 1 381.545 5.465 40 30 GKEBMN Fc1ccccc1COc1ccccc1C=NNc1nc2ccccc2s1 ZINC000059418083 570656606 /nfs/dbraw/zinc/65/66/06/570656606.db2.gz KFAOEZKZJXBLKC-YDZHTSKRSA-N 0 1 377.444 5.460 40 30 GKEBMN Clc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1 ZINC000005605077 570734898 /nfs/dbraw/zinc/73/48/98/570734898.db2.gz UNJNQEWJLZSESS-YDZHTSKRSA-N 0 1 393.899 5.975 40 30 GKEBMN Clc1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000005605077 570734903 /nfs/dbraw/zinc/73/49/03/570734903.db2.gz UNJNQEWJLZSESS-YDZHTSKRSA-N 0 1 393.899 5.975 40 30 GKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1oc(C)c(C)c1C#N ZINC000006608895 570747792 /nfs/dbraw/zinc/74/77/92/570747792.db2.gz DTWUTUZCMRSLRD-FOKLQQMPSA-N 0 1 389.484 5.231 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1oc(C)c(C)c1C#N ZINC000006608895 570747795 /nfs/dbraw/zinc/74/77/95/570747795.db2.gz DTWUTUZCMRSLRD-FOKLQQMPSA-N 0 1 389.484 5.231 40 30 GKEBMN CC1(C)CC2=C(C(=O)C1)[C@@H](c1ccccc1)N(c1nc3ccccc3s1)N2 ZINC000008558965 570770834 /nfs/dbraw/zinc/77/08/34/570770834.db2.gz FRDKALRTWBCCRT-HXUWFJFHSA-N 0 1 375.497 5.005 40 30 GKEBMN CC(=[NH+]Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000015952539 570909350 /nfs/dbraw/zinc/90/93/50/570909350.db2.gz MHGPTWIKWPWDAJ-QRVIBDJDSA-N 0 1 375.453 5.429 40 30 GKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000408692511 231095107 /nfs/dbraw/zinc/09/51/07/231095107.db2.gz ODSUAQUXRCSULL-PCLIKHOPSA-N 0 1 384.483 5.390 40 30 GKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408692014 231095593 /nfs/dbraw/zinc/09/55/93/231095593.db2.gz BGYKGMGRLZPZOL-FSJBWODESA-N 0 1 399.281 6.069 40 30 GKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000408692655 231095760 /nfs/dbraw/zinc/09/57/60/231095760.db2.gz RRIOUZCDUWTLSD-YDZHTSKRSA-N 0 1 378.863 5.724 40 30 GKEBMN CCc1ccc2oc(-c3cc(/N=C\c4cccc(OC)c4O)ccc3O)nc2c1 ZINC000100929922 529731775 /nfs/dbraw/zinc/73/17/75/529731775.db2.gz IAHSRJQCARUBRI-CFRMEGHHSA-N 0 1 388.423 5.228 40 30 GKEBMN Clc1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000013940938 210095807 /nfs/dbraw/zinc/09/58/07/210095807.db2.gz MJISSXIFFMUCTA-ONUIUJJFSA-N 0 1 387.914 5.062 40 30 GKEBMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1sc2ccccc2c1C#N ZINC000100931063 211395100 /nfs/dbraw/zinc/39/51/00/211395100.db2.gz KCLSFUJJEYXHGO-XDHOZWIPSA-N 0 1 386.480 5.108 40 30 GKEBMN CC(C)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000013940998 207004398 /nfs/dbraw/zinc/00/43/98/207004398.db2.gz JBNAJBGCXOCMFR-USHMODERSA-N 0 1 395.550 5.532 40 30 GKEBMN Cc1c(C#N)c2nc3ccccc3n2c([O-])c1N=Nc1cc(-c2ccccc2)n[nH]1 ZINC000101629869 208395450 /nfs/dbraw/zinc/39/54/50/208395450.db2.gz XCQZHOLZEAKCNI-BYYHNAKLSA-N 0 1 393.410 5.179 40 30 GKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408591572 534015006 /nfs/dbraw/zinc/01/50/06/534015006.db2.gz UYJJRNJCJDCQJM-FOKLQQMPSA-N 0 1 398.297 5.723 40 30 GKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1C ZINC000408592634 534014270 /nfs/dbraw/zinc/01/42/70/534014270.db2.gz ZVLSGHMVNIYIHW-FSJBWODESA-N 0 1 377.879 5.378 40 30 GKEBMN Fc1ccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000409094042 534472669 /nfs/dbraw/zinc/47/26/69/534472669.db2.gz CTDJJGVDCVJGDQ-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN Fc1ccc(COc2cccc(C=NNc3ccc(C(F)(F)F)cn3)c2)cc1 ZINC000409106865 534472891 /nfs/dbraw/zinc/47/28/91/534472891.db2.gz PQSHOYDMKCIZGG-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN CCCCc1ccc2nc(C)cc(NN=Cc3ccc(OC)c4ccccc34)c2c1 ZINC000017127106 521288830 /nfs/dbraw/zinc/28/88/30/521288830.db2.gz OSUMYXSZNVQXJY-PKAZHMFMSA-N 0 1 397.522 6.494 40 30 GKEBMN COc1ccc(-n2c(C)cc(C=NNc3nc4ccccc4s3)c2C)cc1 ZINC000033330741 523313890 /nfs/dbraw/zinc/31/38/90/523313890.db2.gz JMMDINWMMQQKEW-XKZIYDEJSA-N 0 1 376.485 5.158 40 30 GKEBMN COc1ccc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4s3)c2C)cc1 ZINC000033330741 523313895 /nfs/dbraw/zinc/31/38/95/523313895.db2.gz JMMDINWMMQQKEW-XKZIYDEJSA-N 0 1 376.485 5.158 40 30 GKEBMN C=CCOc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408911454 526831402 /nfs/dbraw/zinc/83/14/02/526831402.db2.gz NJVHIUHWAXTLIG-HAHDFKILSA-N 0 1 390.443 5.013 40 30 GKEBMN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 ZINC000009264165 526832634 /nfs/dbraw/zinc/83/26/34/526832634.db2.gz JAQCYOYOILKTFF-QHCPKHFHSA-N 0 1 384.435 5.100 40 30 GKEBMN CCOc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409076030 528167208 /nfs/dbraw/zinc/16/72/08/528167208.db2.gz WSODMKXWUUMFAJ-QPJQQBGISA-N 0 1 378.181 5.252 40 30 GKEBMN CC(C)N1c2ccc(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc2[C@@H](C)CC1(C)C ZINC000223547753 570470771 /nfs/dbraw/zinc/47/07/71/570470771.db2.gz RHOZIQGYULTGMN-SGMWPGOQSA-N 0 1 379.504 5.331 40 30 GKEBMN CCN1c2cc(C)c(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc2[C@@H](C)CC1(C)C ZINC000223576074 570472378 /nfs/dbraw/zinc/47/23/78/570472378.db2.gz JXVNSACVOUZEET-SGMWPGOQSA-N 0 1 379.504 5.251 40 30 GKEBMN Cc1cc2c(cc1CN=Nc1ccc([N+](=O)[O-])cn1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587974 570473156 /nfs/dbraw/zinc/47/31/56/570473156.db2.gz VMYWNDFZSMKRQO-SOAGAIGUSA-N 0 1 395.507 5.245 40 30 GKEBMN Cc1cc2c(cc1C=[NH+]Nc1ccc(C(=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223595890 570473634 /nfs/dbraw/zinc/47/36/34/570473634.db2.gz TVYCLMSNKXHJSK-MQKZQLNTSA-N 0 1 393.531 5.640 40 30 GKEBMN O=[N+]([O-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1N1CCCCC1 ZINC000006815571 570494888 /nfs/dbraw/zinc/49/48/88/570494888.db2.gz ZYWDUOFGORVPFY-SRZZPIQSSA-N 0 1 394.258 5.348 40 30 GKEBMN N=C1SC(=Cc2ccc(OCc3ccccc3)cc2)C(O)=C1c1nccs1 ZINC000136204915 570495463 /nfs/dbraw/zinc/49/54/63/570495463.db2.gz OSVBKNKNEZYJEN-NQQPCKHTSA-N 0 1 392.505 5.140 40 30 GKEBMN Clc1ccc(Sc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000033789380 570529204 /nfs/dbraw/zinc/52/92/04/570529204.db2.gz ZLPDCGJUOIWMIB-XKZIYDEJSA-N 0 1 395.940 6.547 40 30 GKEBMN CC(N=Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000006312590 570537516 /nfs/dbraw/zinc/53/75/16/570537516.db2.gz XKERWGWPQXHKAU-PGGKNCGUSA-N 0 1 380.719 6.214 40 30 GKEBMN CC(C)OC(=O)Nc1ccccc1N=C1CCCC1=Cc1ccc(Cl)cc1 ZINC000006358379 570542563 /nfs/dbraw/zinc/54/25/63/570542563.db2.gz DNNOAWORQSPQQA-HVHRLSKISA-N 0 1 382.891 6.637 40 30 GKEBMN CN(CC#C[C@@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000004027755 570613442 /nfs/dbraw/zinc/61/34/42/570613442.db2.gz VSJACZVSLVSJHV-FBILRYNDSA-N 0 1 389.539 5.219 40 30 GKEBMN CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000059475451 570657806 /nfs/dbraw/zinc/65/78/06/570657806.db2.gz OORKGRKTKSCWBO-NUGSKGIGSA-N 0 1 392.204 6.257 40 30 GKEBMN CCCCOc1ccc2ccccc2c1C=NNc1nc2ccccc2s1 ZINC000409008618 570693992 /nfs/dbraw/zinc/69/39/92/570693992.db2.gz YTNSFUITISDPGS-HAHDFKILSA-N 0 1 375.497 6.074 40 30 GKEBMN COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000014163660 570878793 /nfs/dbraw/zinc/87/87/93/570878793.db2.gz NJJVRILPGLBSIR-OWJWWREXSA-N 0 1 399.494 5.135 40 30 GKEBMN COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000014163656 570878958 /nfs/dbraw/zinc/87/89/58/570878958.db2.gz NJJVRILPGLBSIR-IZHWHUGBSA-N 0 1 399.494 5.135 40 30 GKEBMN COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2cccc3ccccc32)cc1 ZINC000005586458 570995599 /nfs/dbraw/zinc/99/55/99/570995599.db2.gz PLZGNEWEVNYZOS-UHFFFAOYSA-N 0 1 382.463 6.047 40 30 GKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000408692909 231095098 /nfs/dbraw/zinc/09/50/98/231095098.db2.gz YFCLEQPHNQLDDJ-ZVHZXABRSA-N 0 1 391.906 5.563 40 30 GKEBMN O=[N+]([O-])c1cc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1Cl ZINC000001434939 209327914 /nfs/dbraw/zinc/32/79/14/209327914.db2.gz NLXIRKIRBQQRMB-WSDLNYQXSA-N 0 1 376.803 5.542 40 30 GKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409070753 534014932 /nfs/dbraw/zinc/01/49/32/534014932.db2.gz NDVKJQFBOZWFNP-CIAFOILYSA-N 0 1 391.456 5.058 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409070753 534014938 /nfs/dbraw/zinc/01/49/38/534014938.db2.gz NDVKJQFBOZWFNP-CIAFOILYSA-N 0 1 391.456 5.058 40 30 GKEBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNc2ccc(C(F)(F)F)cn2)o1 ZINC000409117291 534331632 /nfs/dbraw/zinc/33/16/32/534331632.db2.gz OCWBENAGPBPCIU-AUEPDCJTSA-N 0 1 390.321 5.023 40 30 GKEBMN CCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100494979 520015524 /nfs/dbraw/zinc/01/55/24/520015524.db2.gz LPRIRBYFWTWHQE-UHFFFAOYSA-N 0 1 399.366 5.804 40 30 GKEBMN CCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1 ZINC000019596763 520221513 /nfs/dbraw/zinc/22/15/13/520221513.db2.gz MKRJXXNNWQSXSU-KEBDBYFISA-N 0 1 396.668 5.126 40 30 GKEBMN Cc1cccc(C(=O)Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)c1 ZINC000408737491 534629066 /nfs/dbraw/zinc/62/90/66/534629066.db2.gz SHWJDLSSWCIWKY-OEAKJJBVSA-N 0 1 387.464 5.270 40 30 GKEBMN Cc1cccc(C(=O)Oc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)c1 ZINC000408737491 534629076 /nfs/dbraw/zinc/62/90/76/534629076.db2.gz SHWJDLSSWCIWKY-OEAKJJBVSA-N 0 1 387.464 5.270 40 30 GKEBMN Oc1ccc(/N=C\c2ccc(-c3ccccc3)o2)cc1-c1nc2ccccc2o1 ZINC000005604540 526341921 /nfs/dbraw/zinc/34/19/21/526341921.db2.gz VHUWLUDBMYFZGD-MYYYXRDXSA-N 0 1 380.403 6.211 40 30 GKEBMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002359622 526386611 /nfs/dbraw/zinc/38/66/11/526386611.db2.gz IGLBTJHGLOHLBO-HAHDFKILSA-N 0 1 386.480 5.069 40 30 GKEBMN Cn1c2ccccc2nc1NN=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000004114755 527115848 /nfs/dbraw/zinc/11/58/48/527115848.db2.gz UBXDFWLPZIARNE-MFKUBSTISA-N 0 1 379.467 5.022 40 30 GKEBMN O=C(C=C1SC=C(c2ccccc2)S1)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101002687 527653324 /nfs/dbraw/zinc/65/33/24/527653324.db2.gz MIZRBTPZOZOIMW-ALAONZSNSA-N 0 1 383.450 5.383 40 30 GKEBMN CC1=CC(C)(C)N(C(C)C)c2ccc(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000223479952 528095967 /nfs/dbraw/zinc/09/59/67/528095967.db2.gz QKGCQNFKIJYCEA-OYKKKHCWSA-N 0 1 377.488 5.241 40 30 GKEBMN CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)C2=O)cc(Cl)c1O ZINC000408562832 528197045 /nfs/dbraw/zinc/19/70/45/528197045.db2.gz DSXDRQONHGXAHD-SFXQBQATSA-N 0 1 390.785 5.345 40 30 GKEBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000408913455 528291942 /nfs/dbraw/zinc/29/19/42/528291942.db2.gz UUMIVTNQEDJLHG-PCLIKHOPSA-N 0 1 389.499 5.389 40 30 GKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000002335530 570283378 /nfs/dbraw/zinc/28/33/78/570283378.db2.gz TXGKXBYXNQLSSL-IWIPYMOSSA-N 0 1 386.524 6.177 40 30 GKEBMN CCCCCCCCCCCC[NH2+][C@@H](C)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000104083507 570297424 /nfs/dbraw/zinc/29/74/24/570297424.db2.gz UGZSECUAULSVSQ-SFHVURJKSA-N 0 1 385.548 5.777 40 30 GKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1cccc2c(-c3ccccc3)ccnc12 ZINC000104212331 570299507 /nfs/dbraw/zinc/29/95/07/570299507.db2.gz ZLLMKXDQRLPXBW-ZMFRSBBQSA-N 0 1 393.273 6.665 40 30 GKEBMN Cc1c2[nH]c3ccccc3c2c(C)c2c1C=CN(C(=O)c1ccccc1)C2C#N ZINC000005648796 570449886 /nfs/dbraw/zinc/44/98/86/570449886.db2.gz JGENIMKZFTZVGX-NRFANRHFSA-N 0 1 377.447 5.629 40 30 GKEBMN Cc1cc2c(cc1C=[NH+]Nc1ccc(C(=O)[O-])cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223506216 570469187 /nfs/dbraw/zinc/46/91/87/570469187.db2.gz WFTWXWIFFQHIFF-QFEZKATASA-N 0 1 391.515 5.550 40 30 GKEBMN CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000000793539 570482059 /nfs/dbraw/zinc/48/20/59/570482059.db2.gz LDCRFKBXKHBQTF-YPZZKDGISA-N 0 1 382.685 5.778 40 30 GKEBMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000006615552 570484854 /nfs/dbraw/zinc/48/48/54/570484854.db2.gz YBJGJPKITOCBEV-CIAFOILYSA-N 0 1 393.712 5.549 40 30 GKEBMN Cc1ccc2nc(/N=C/c3cc(Cl)cc(Br)c3O)sc2c1 ZINC000000826463 570485492 /nfs/dbraw/zinc/48/54/92/570485492.db2.gz JZHNAMUCGMPRNT-CNHKJKLMSA-N 0 1 381.682 5.477 40 30 GKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(F)cc1 ZINC000135887557 570492967 /nfs/dbraw/zinc/49/29/67/570492967.db2.gz BYNTXENZCWQUGO-GRXGRPPOSA-N 0 1 397.500 5.108 40 30 GKEBMN CCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nccs2)=C1O ZINC000137430912 570500541 /nfs/dbraw/zinc/50/05/41/570500541.db2.gz SHTQKLJHUJKUKX-IZDDVYCDSA-N 0 1 380.494 5.113 40 30 GKEBMN O=[N+]([O-])c1ccc(Cl)cc1C=NNc1c2ccccc2nc2ccccc21 ZINC000031672199 570505390 /nfs/dbraw/zinc/50/53/90/570505390.db2.gz SRSKCFIPUCWZFU-UUYOSTAYSA-N 0 1 376.803 5.396 40 30 GKEBMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002361438 570543605 /nfs/dbraw/zinc/54/36/05/570543605.db2.gz RNPNZCALEQUMML-HMAPJEAMSA-N 0 1 380.517 5.186 40 30 GKEBMN CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000005393680 570732603 /nfs/dbraw/zinc/73/26/03/570732603.db2.gz HPPKDVBTBXRSEP-KOEQRZSOSA-N 0 1 398.535 5.989 40 30 GKEBMN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000006263824 570740273 /nfs/dbraw/zinc/74/02/73/570740273.db2.gz QCVPRHKIOGDIJT-ZVBGSRNCSA-N 0 1 385.678 5.842 40 30 GKEBMN Cc1ccccc1Cn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000014134283 570877154 /nfs/dbraw/zinc/87/71/54/570877154.db2.gz PXEMYVNIUNJKBV-AFUMVMLFSA-N 0 1 379.467 5.320 40 30 GKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc2ccccc21 ZINC000408910387 231129102 /nfs/dbraw/zinc/12/91/02/231129102.db2.gz JYKLRZOLUYFOPZ-IWIPYMOSSA-N 0 1 384.439 5.602 40 30 GKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(C)C ZINC000408913095 231130434 /nfs/dbraw/zinc/13/04/34/231130434.db2.gz SMAXPBSRPIXATA-UCQKPKSFSA-N 0 1 376.460 5.572 40 30 GKEBMN Cc1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000409104859 231161629 /nfs/dbraw/zinc/16/16/29/231161629.db2.gz IXEANOXHKVVGQC-RPPGKUMJSA-N 0 1 385.389 5.434 40 30 GKEBMN COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1Br ZINC000006736680 204197389 /nfs/dbraw/zinc/19/73/89/204197389.db2.gz DYAVGDRVWAGPJY-CNHKJKLMSA-N 0 1 375.049 5.221 40 30 GKEBMN O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000031872014 207388006 /nfs/dbraw/zinc/38/80/06/207388006.db2.gz KQXDRRPPRVKAFE-LKNRODPVSA-N 0 1 387.523 5.598 40 30 GKEBMN CCCCCCCCCCCCCCOc1ccc(C2=[NH+]C[C@H](C)N2)c([O-])c1 ZINC000100934000 208383781 /nfs/dbraw/zinc/38/37/81/208383781.db2.gz AYZLAIJRVSRSBJ-FQEVSTJZSA-N 0 1 388.596 6.210 40 30 GKEBMN Cc1c(C#N)n2ccccc2c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000005523798 208670710 /nfs/dbraw/zinc/67/07/10/208670710.db2.gz KGZLUMNBFDPSDF-LSFURLLWSA-N 0 1 377.662 5.526 40 30 GKEBMN COc1cc(COc2ccc(Cl)cc2/C=N\O)ccc1OCc1ccccc1 ZINC000408539617 533917766 /nfs/dbraw/zinc/91/77/66/533917766.db2.gz ITCJBHXWTSTROJ-CFRMEGHHSA-N 0 1 397.858 5.315 40 30 GKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408592598 534015022 /nfs/dbraw/zinc/01/50/22/534015022.db2.gz ZPVKMTYJWWSKQH-FOKLQQMPSA-N 0 1 398.297 5.723 40 30 GKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1 ZINC000409063460 534015362 /nfs/dbraw/zinc/01/53/62/534015362.db2.gz LEEXCTOJFVEQGV-WSDLNYQXSA-N 0 1 380.904 5.803 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1 ZINC000409063460 534015367 /nfs/dbraw/zinc/01/53/67/534015367.db2.gz LEEXCTOJFVEQGV-WSDLNYQXSA-N 0 1 380.904 5.803 40 30 GKEBMN Fc1cccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000409100691 534519588 /nfs/dbraw/zinc/51/95/88/534519588.db2.gz WHDUNCVDHYKLAP-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN Clc1ccccc1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000408719593 534649184 /nfs/dbraw/zinc/64/91/84/534649184.db2.gz YLDSVJFQTCQGBZ-YDZHTSKRSA-N 0 1 393.899 5.975 40 30 GKEBMN Clc1ccccc1COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000408719593 534649189 /nfs/dbraw/zinc/64/91/89/534649189.db2.gz YLDSVJFQTCQGBZ-YDZHTSKRSA-N 0 1 393.899 5.975 40 30 GKEBMN COc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O ZINC000013307015 525774942 /nfs/dbraw/zinc/77/49/42/525774942.db2.gz RLYBNDVYMKMTFS-WSDLNYQXSA-N 0 1 376.437 5.134 40 30 GKEBMN CSc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000012381754 525951748 /nfs/dbraw/zinc/95/17/48/525951748.db2.gz DLDRECSRDVAEKT-BKUYFWCQSA-N 0 1 382.558 5.509 40 30 GKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc2c(-c3ccccc3)ccnc12 ZINC000013227886 526323738 /nfs/dbraw/zinc/32/37/38/526323738.db2.gz ZLLMKXDQRLPXBW-LGJNPRDNSA-N 0 1 393.273 6.665 40 30 GKEBMN O=[N+]([O-])c1cccc(C(Cl)N=Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000015444206 527383444 /nfs/dbraw/zinc/38/34/44/527383444.db2.gz VSXDLKGIUYKEGT-CPNJWEJPSA-N 0 1 379.030 5.568 40 30 GKEBMN c1ccc2[nH]c(N=NCc3ccc(OCc4cccc5ccccc54)cc3)nc2c1 ZINC000408723196 527473754 /nfs/dbraw/zinc/47/37/54/527473754.db2.gz OZQXERWPYIVNDL-WGOQTCKBSA-N 0 1 392.462 5.741 40 30 GKEBMN CCCCc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408910849 529016715 /nfs/dbraw/zinc/01/67/15/529016715.db2.gz LLDNYAVJLKLVKU-JLPGSUDCSA-N 0 1 390.487 5.791 40 30 GKEBMN N=C1SC(=Cc2ccc(OCc3ccccc3)cc2)C(O)=C1c1nccs1 ZINC000034795241 570210344 /nfs/dbraw/zinc/21/03/44/570210344.db2.gz OSVBKNKNEZYJEN-KNBUONQESA-N 0 1 392.505 5.140 40 30 GKEBMN C=CCc1cc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc(OC)c1OCC ZINC000012222179 570236067 /nfs/dbraw/zinc/23/60/67/570236067.db2.gz ICZHPSUUJZTUBH-NRFANRHFSA-N 0 1 391.515 5.036 40 30 GKEBMN CCCOC(=O)Nc1ccccc1N=C1CCCC1=Cc1ccc(Cl)cc1 ZINC000006593348 570278240 /nfs/dbraw/zinc/27/82/40/570278240.db2.gz XWQOGTZBSYDUHU-QENAVDQESA-N 0 1 382.891 6.639 40 30 GKEBMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 ZINC000020932670 570288357 /nfs/dbraw/zinc/28/83/57/570288357.db2.gz RFLLMTWQBVLJCL-HZHRSRAPSA-N 0 1 386.480 5.069 40 30 GKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc3ccccc23)cc1 ZINC000002592491 570291900 /nfs/dbraw/zinc/29/19/00/570291900.db2.gz HVTXOXFCZZXFEY-IWIPYMOSSA-N 0 1 386.524 5.941 40 30 GKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2sc(-c3ccccc3)nc2c1 ZINC000003190900 570332174 /nfs/dbraw/zinc/33/21/74/570332174.db2.gz YSFGKEMWHORHNQ-FOKLQQMPSA-N 0 1 399.302 6.726 40 30 GKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1cc([N+](=O)[O-])ccc1F ZINC000039921293 570447014 /nfs/dbraw/zinc/44/70/14/570447014.db2.gz HYVMWUZODZJCGC-HXUWFJFHSA-N 0 1 398.459 5.636 40 30 GKEBMN O=c1c(C=NN=c2[nH]c3c(cccc3Cl)s2)coc2ccc(Cl)cc12 ZINC000005582553 570447786 /nfs/dbraw/zinc/44/77/86/570447786.db2.gz VPDLWYYEXRVSNG-SCDVKCJHSA-N 0 1 390.251 5.156 40 30 GKEBMN CCOc1ccc2nc(-c3cc(/N=C/c4cccs4)ccc3O)sc2c1 ZINC000000811294 570484190 /nfs/dbraw/zinc/48/41/90/570484190.db2.gz WIFJDZBRZBTYBH-CIAFOILYSA-N 0 1 380.494 5.880 40 30 GKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccccc1F ZINC000059194420 570651717 /nfs/dbraw/zinc/65/17/17/570651717.db2.gz PAXMOSCHSQRCCB-YDZHTSKRSA-N 0 1 391.427 5.101 40 30 GKEBMN Cc1ccc(-c2csc(N=NCc3cc(Cl)cc(Cl)c3O)n2)cc1 ZINC000059386947 570655581 /nfs/dbraw/zinc/65/55/81/570655581.db2.gz XFTSMMRPRDIHGG-DNTJNYDQSA-N 0 1 378.284 5.577 40 30 GKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccccc1Cl ZINC000005174444 570659865 /nfs/dbraw/zinc/65/98/65/570659865.db2.gz DBBIEKJEMQQPIV-WSDLNYQXSA-N 0 1 380.904 5.803 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccccc1Cl ZINC000005174444 570659867 /nfs/dbraw/zinc/65/98/67/570659867.db2.gz DBBIEKJEMQQPIV-WSDLNYQXSA-N 0 1 380.904 5.803 40 30 GKEBMN C=C[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000006733647 570672361 /nfs/dbraw/zinc/67/23/61/570672361.db2.gz XOEFQGQIXMPRIN-PWZUTMABSA-N 0 1 398.506 5.029 40 30 GKEBMN CCCCCCCCN[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000053119478 570674050 /nfs/dbraw/zinc/67/40/50/570674050.db2.gz TUZKPWGHNMHLGC-OAQYLSRUSA-N 0 1 392.370 6.868 40 30 GKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(Cl)cc1Cl ZINC000005426996 570732979 /nfs/dbraw/zinc/73/29/79/570732979.db2.gz SQNQTNVVTFXEDW-IFRROFPPSA-N 0 1 378.137 5.366 40 30 GKEBMN Clc1ccccc1COc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000005614678 570734796 /nfs/dbraw/zinc/73/47/96/570734796.db2.gz ZTUZFAHVPJKUOP-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN Clc1ccccc1COc1ccccc1CN=Nc1nc2ccccc2[nH]1 ZINC000005614678 570734799 /nfs/dbraw/zinc/73/47/99/570734799.db2.gz ZTUZFAHVPJKUOP-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN CN(CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000012658981 570810183 /nfs/dbraw/zinc/81/01/83/570810183.db2.gz VSJACZVSLVSJHV-CWDLOFLHSA-N 0 1 389.539 5.219 40 30 GKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408692744 231095129 /nfs/dbraw/zinc/09/51/29/231095129.db2.gz UGJSJUWSMOGQQF-FSJBWODESA-N 0 1 399.281 6.069 40 30 GKEBMN Fc1cnc(Cl)nc1Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000409062879 231153260 /nfs/dbraw/zinc/15/32/60/231153260.db2.gz CHJVGNMCDXRZLK-LSFURLLWSA-N 0 1 399.838 5.117 40 30 GKEBMN Cc1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)cc1[N+](=O)[O-] ZINC000409067911 231153867 /nfs/dbraw/zinc/15/38/67/231153867.db2.gz RPJDQLGPWSFPMA-AUEPDCJTSA-N 0 1 390.321 5.023 40 30 GKEBMN Cc1ccc(Cl)cc1-c1ccc(C=NNc2ccc(C(F)(F)F)cn2)o1 ZINC000409095430 231159513 /nfs/dbraw/zinc/15/95/13/231159513.db2.gz HQEBPAQDXFJSGG-YSURURNPSA-N 0 1 379.769 5.768 40 30 GKEBMN Cc1ccc(Sc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000409243185 231186364 /nfs/dbraw/zinc/18/63/64/231186364.db2.gz ZQYSIMCAUIYBJV-ROTLSHHCSA-N 0 1 387.430 6.006 40 30 GKEBMN CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O ZINC000005158606 212117467 /nfs/dbraw/zinc/11/74/67/212117467.db2.gz LRSMBOSQWGHYCW-MDGZPELGSA-N 0 1 392.495 5.935 40 30 aggregator,biogenic,in-vitro GKEBMN CC(=[NH+]Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000004871818 204085009 /nfs/dbraw/zinc/08/50/09/204085009.db2.gz MHGPTWIKWPWDAJ-YDZHTSKRSA-N 0 1 375.453 5.429 40 30 GKEBMN CC(=NNc1nc2ccccc2s1)c1ccc2c(c1)Sc1ccccc1O2 ZINC000005412430 204130753 /nfs/dbraw/zinc/13/07/53/204130753.db2.gz YWBRWAVVINBCAK-QRVIBDJDSA-N 0 1 389.505 6.389 40 30 GKEBMN Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1 ZINC000006321426 220928687 /nfs/dbraw/zinc/92/86/87/220928687.db2.gz DJEGPNKRLSWTHX-IFRROFPPSA-N 0 1 378.575 5.578 40 30 GKEBMN COc1ccc(Cl)cc1-n1c(C)cc(CN=Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000408908805 533831197 /nfs/dbraw/zinc/83/11/97/533831197.db2.gz DGIKOFBJCMHFNL-UUYOSTAYSA-N 0 1 398.850 5.110 40 30 GKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966198 534015084 /nfs/dbraw/zinc/01/50/84/534015084.db2.gz KJWVLAPYYGXLMU-BUVRLJJBSA-N 0 1 390.487 5.746 40 30 GKEBMN C(=C/c1ccccc1)\C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012375773 518371571 /nfs/dbraw/zinc/37/15/71/518371571.db2.gz YAGKEZIKQLVODH-VWYBFBJGSA-N 0 1 379.507 5.073 40 30 GKEBMN C(=Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccc(Oc2ccccc2)c1 ZINC000013281259 518379452 /nfs/dbraw/zinc/37/94/52/518379452.db2.gz IQGQXCQTYQHVOY-OVVQPSECSA-N 0 1 389.458 6.773 40 30 GKEBMN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC ZINC000032115596 519913953 /nfs/dbraw/zinc/91/39/53/519913953.db2.gz RJCRHJRNWIVEPU-SSDVNMTOSA-N 0 1 395.286 5.587 40 30 GKEBMN CCCCCCCCCCCCCCCCCc1cc2nc3ccccc3n2[nH]1 ZINC000100988560 519998614 /nfs/dbraw/zinc/99/86/14/519998614.db2.gz IFRJITXTOLKBQT-UHFFFAOYSA-N 0 1 395.635 8.230 40 30 GKEBMN CCCCCCCCCCCCN[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000100693338 520009811 /nfs/dbraw/zinc/00/98/11/520009811.db2.gz TYYYUJPIJMFBJG-VWLOTQADSA-N 0 1 379.588 7.121 40 30 GKEBMN Fc1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000409068116 534519501 /nfs/dbraw/zinc/51/95/01/534519501.db2.gz SSPJOBUPIHIEGF-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN CCOc1ccc2ccc(OCC)c(C=NNc3nc4ccccc4s3)c2c1 ZINC000038190297 521296533 /nfs/dbraw/zinc/29/65/33/521296533.db2.gz LNZCESNITGGWKK-UCQKPKSFSA-N 0 1 391.496 5.693 40 30 GKEBMN Clc1ccc(COc2cccc(CN=Nc3nc4ccccc4[nH]3)c2)cc1 ZINC000409176095 534640013 /nfs/dbraw/zinc/64/00/13/534640013.db2.gz HIFJXEWNWDIGEO-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN Clc1ccccc1COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000059417071 534649951 /nfs/dbraw/zinc/64/99/51/534649951.db2.gz HQNPZIHQYCNPKN-YDZHTSKRSA-N 0 1 376.847 5.241 40 30 GKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1/C=N/O ZINC000409092738 534879854 /nfs/dbraw/zinc/87/98/54/534879854.db2.gz WJRPMOPKMDYEAG-CGOBSMCZSA-N 0 1 395.120 5.521 40 30 GKEBMN Brc1ccc(-n2cccc2C=NN=c2ccc3ccccc3[nH]2)cc1 ZINC000408844152 526639515 /nfs/dbraw/zinc/63/95/15/526639515.db2.gz BHCVCLNQVSLKRX-HYARGMPZSA-N 0 1 391.272 5.234 40 30 GKEBMN C=CCOc1ccc(CN=Nc2ccc3ccccc3n2)cc1Br ZINC000408740448 526834970 /nfs/dbraw/zinc/83/49/70/526834970.db2.gz GCYAUGFQWHSEFI-FYJGNVAPSA-N 0 1 382.261 5.008 40 30 GKEBMN O=C1/C(=C/c2ccc([O-])c(C[NH+]3CCCCC3)c2)CCC/C1=C/c1ccccc1 ZINC000031872016 526941602 /nfs/dbraw/zinc/94/16/02/526941602.db2.gz KQXDRRPPRVKAFE-SWRBISBUSA-N 0 1 387.523 5.598 40 30 GKEBMN O=[N+]([O-])c1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000100846167 527346261 /nfs/dbraw/zinc/34/62/61/527346261.db2.gz CPGOMEAGWOYBAG-MTJSOVHGSA-N 0 1 375.409 5.328 40 30 GKEBMN Cc1nn(-c2ccccc2)c(Cl)c1C=NN=c1[nH]c2cc(C)ccc2cc1C ZINC000005447227 527546895 /nfs/dbraw/zinc/54/68/95/527546895.db2.gz SKVLYMVNEAIWMP-ZMOGYAJESA-N 0 1 389.890 5.445 40 30 GKEBMN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000208249555 570255251 /nfs/dbraw/zinc/25/52/51/570255251.db2.gz CDPOQTXZGMZOAY-JFVYAULHSA-N 0 1 385.895 5.206 40 30 GKEBMN CCCCCCCC(=[NH+]Nc1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100934738 570279523 /nfs/dbraw/zinc/27/95/23/570279523.db2.gz QQMVDIRHTQOYCW-ROMGYVFFSA-N 0 1 390.531 6.063 40 30 GKEBMN C[C@H](Cc1n[nH]c(=S)n1N=Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000008489939 570327540 /nfs/dbraw/zinc/32/75/40/570327540.db2.gz BHAMTIWLWYQQFD-GHONEHJGSA-N 0 1 390.434 5.188 40 30 GKEBMN C[C@@H](Cc1n[nH]c(=S)n1N=Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000008488886 570327579 /nfs/dbraw/zinc/32/75/79/570327579.db2.gz BHAMTIWLWYQQFD-ZXCVBSDHSA-N 0 1 390.434 5.188 40 30 GKEBMN CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000000793450 570482070 /nfs/dbraw/zinc/48/20/70/570482070.db2.gz LYISTVOKZCQUGR-YPZZKDGISA-N 0 1 382.685 5.778 40 30 GKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCCC1 ZINC000006615543 570484759 /nfs/dbraw/zinc/48/47/59/570484759.db2.gz ABFIMGUYOQSZGB-RGVLZGJSSA-N 0 1 379.685 5.159 40 30 GKEBMN CN(CC#C[C@@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1OC2(C)C)Cc1ccccc1 ZINC000004027754 570613387 /nfs/dbraw/zinc/61/33/87/570613387.db2.gz VSJACZVSLVSJHV-NOOIUNMQSA-N 0 1 389.539 5.219 40 30 GKEBMN C(=NNc1nc2ccccc2[nH]1)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000059417074 570656094 /nfs/dbraw/zinc/65/60/94/570656094.db2.gz YDGDXFQBPBATFN-WGOQTCKBSA-N 0 1 392.462 5.741 40 30 GKEBMN CC1(C)CC2=C(C(=O)C1)[C@H](c1ccccc1)N(c1nc3ccccc3s1)N2 ZINC000008558963 570770879 /nfs/dbraw/zinc/77/08/79/570770879.db2.gz FRDKALRTWBCCRT-FQEVSTJZSA-N 0 1 375.497 5.005 40 30 GKEBMN CCOc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2C#N)cc1 ZINC000005927282 570804082 /nfs/dbraw/zinc/80/40/82/570804082.db2.gz CYWGBUJJZBSMFG-UHFFFAOYSA-N 0 1 385.250 5.286 40 30 GKEBMN CCN(CC)c1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000016678544 570930693 /nfs/dbraw/zinc/93/06/93/570930693.db2.gz WNVQAUSSPYOHMU-UHFFFAOYSA-N 0 1 399.494 5.067 40 30 GKEBMN O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1cccs1 ZINC000016430566 230895518 /nfs/dbraw/zinc/89/55/18/230895518.db2.gz HEKSTANIVMQXFH-UFFVCSGVSA-N 0 1 391.279 5.763 40 30 GKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000408665595 231092664 /nfs/dbraw/zinc/09/26/64/231092664.db2.gz UDLYVXBZNBGHHE-ZVHZXABRSA-N 0 1 390.874 5.252 40 30 GKEBMN Cn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000408665595 231092668 /nfs/dbraw/zinc/09/26/68/231092668.db2.gz UDLYVXBZNBGHHE-ZVHZXABRSA-N 0 1 390.874 5.252 40 30 GKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408692747 231094900 /nfs/dbraw/zinc/09/49/00/231094900.db2.gz UGSBDNCRTIUICD-FSJBWODESA-N 0 1 399.281 6.069 40 30 GKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408692175 231095503 /nfs/dbraw/zinc/09/55/03/231095503.db2.gz GKLPLCCWUIJRQF-ZVHZXABRSA-N 0 1 375.451 5.049 40 30 GKEBMN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)S2)c(C)c1 ZINC000408723751 231105871 /nfs/dbraw/zinc/10/58/71/231105871.db2.gz JCKIOPJEUTWHPY-VIZOYTHASA-N 0 1 393.295 5.207 40 30 GKEBMN Cc1ccc(C(=O)Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000408737784 231109458 /nfs/dbraw/zinc/10/94/58/231109458.db2.gz XOHFAMMVRFXOHZ-OEAKJJBVSA-N 0 1 387.464 5.270 40 30 GKEBMN Cc1ccc(C(=O)Oc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000408737784 231109460 /nfs/dbraw/zinc/10/94/60/231109460.db2.gz XOHFAMMVRFXOHZ-OEAKJJBVSA-N 0 1 387.464 5.270 40 30 GKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccc(Cl)cc3)o2)nc1 ZINC000409104393 231161564 /nfs/dbraw/zinc/16/15/64/231161564.db2.gz YVKWLNPELAHEEJ-AUEPDCJTSA-N 0 1 397.809 5.944 40 30 GKEBMN CC(C)(C)c1cc(-c2csc(N=NCc3ccco3)n2)cc(C(C)(C)C)c1O ZINC000006693018 204191117 /nfs/dbraw/zinc/19/11/17/204191117.db2.gz OQCDQEYPAYIKFU-FSJBWODESA-N 0 1 397.544 5.572 40 30 GKEBMN COc1ccc(N=C(Nc2ccc([N+](=O)[O-])cc2)c2cccc3ccccc32)cc1 ZINC000005586461 206215839 /nfs/dbraw/zinc/21/58/39/206215839.db2.gz AFVWBKIZHNHQCR-UHFFFAOYSA-N 0 1 397.434 5.947 40 30 GKEBMN CC(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002284331 206260397 /nfs/dbraw/zinc/26/03/97/206260397.db2.gz IAUGONACZZNFGD-UCQKPKSFSA-N 0 1 378.545 5.911 40 30 GKEBMN COc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl ZINC000409064869 533209645 /nfs/dbraw/zinc/20/96/45/533209645.db2.gz QMZWWSDQVISFJF-WSDLNYQXSA-N 0 1 398.850 5.110 40 30 GKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408589879 534014456 /nfs/dbraw/zinc/01/44/56/534014456.db2.gz NGPQGGXWAOHLFZ-FSJBWODESA-N 0 1 394.931 6.112 40 30 GKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408589879 534014466 /nfs/dbraw/zinc/01/44/66/534014466.db2.gz NGPQGGXWAOHLFZ-FSJBWODESA-N 0 1 394.931 6.112 40 30 GKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408590831 534015180 /nfs/dbraw/zinc/01/51/80/534015180.db2.gz QRPZVTAZICKSFH-FSJBWODESA-N 0 1 377.879 5.378 40 30 GKEBMN C=CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(Cl)c1 ZINC000226344684 518977999 /nfs/dbraw/zinc/97/79/99/518977999.db2.gz QDRUUMPUXIXALL-UHFFFAOYSA-N 0 1 381.646 5.533 40 30 GKEBMN Cc1cccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)c1 ZINC000005548620 524108060 /nfs/dbraw/zinc/10/80/60/524108060.db2.gz JUPSSBXZADYTKW-YSMPRRRNSA-N 0 1 394.430 6.519 40 30 GKEBMN COc1cccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1O ZINC000013562783 525775150 /nfs/dbraw/zinc/77/51/50/525775150.db2.gz JHTFUCCQUODCFU-FOKLQQMPSA-N 0 1 394.814 5.319 40 30 GKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(-c2nc3ccccc3o2)cc1 ZINC000016545319 526323718 /nfs/dbraw/zinc/32/37/18/526323718.db2.gz HGVZNJMURKJSNJ-KSEXSDGBSA-N 0 1 383.234 6.258 40 30 GKEBMN S=c1[nH]nc(C2CCCCC2)n1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002356447 526388437 /nfs/dbraw/zinc/38/84/37/526388437.db2.gz YAYCDEASUJQTQN-HAHDFKILSA-N 0 1 392.528 5.450 40 30 GKEBMN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000009264164 526832717 /nfs/dbraw/zinc/83/27/17/526832717.db2.gz JAQCYOYOILKTFF-HSZRJFAPSA-N 0 1 384.435 5.100 40 30 GKEBMN Clc1ccc(COc2ccccc2C=NNc2nc3ccccc3s2)cc1 ZINC000005770508 526952032 /nfs/dbraw/zinc/95/20/32/526952032.db2.gz OJTORVJBEHYOSA-YDZHTSKRSA-N 0 1 393.899 5.975 40 30 GKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000038193592 527361230 /nfs/dbraw/zinc/36/12/30/527361230.db2.gz QUNPHRGMSDRFJU-CFRMEGHHSA-N 0 1 388.402 5.183 40 30 GKEBMN CCN1c2cc(C)c(C=[NH+]Nc3ccc(C(=O)[O-])cc3)cc2C(C)=CC1(C)C ZINC000208525471 527995280 /nfs/dbraw/zinc/99/52/80/527995280.db2.gz FBCQMNVCNXVGMV-OYKKKHCWSA-N 0 1 377.488 5.161 40 30 GKEBMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(C#N)cc2)[nH]c1-c1ccccc1 ZINC000006282488 570360285 /nfs/dbraw/zinc/36/02/85/570360285.db2.gz OFWNWCHXWHNREV-UHFFFAOYSA-N 0 1 396.406 5.199 40 30 GKEBMN CCCCc1ccc2nc(C)cc(NN=Cc3ccc(OC)c4ccccc34)c2c1 ZINC000005392951 570437103 /nfs/dbraw/zinc/43/71/03/570437103.db2.gz OSUMYXSZNVQXJY-WPWMEQJKSA-N 0 1 397.522 6.494 40 30 GKEBMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000006282314 570475767 /nfs/dbraw/zinc/47/57/67/570475767.db2.gz CEGHOOAUAWVFGV-HAHDFKILSA-N 0 1 386.480 5.069 40 30 GKEBMN CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000000793448 570481837 /nfs/dbraw/zinc/48/18/37/570481837.db2.gz LYISTVOKZCQUGR-KTMXNEEYSA-N 0 1 382.685 5.778 40 30 GKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1-c1nc2ccccc2o1 ZINC000000809269 570483638 /nfs/dbraw/zinc/48/36/38/570483638.db2.gz YUPFPLABBWPHJE-FOKLQQMPSA-N 0 1 383.234 6.258 40 30 GKEBMN CC(C)(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002293559 570543413 /nfs/dbraw/zinc/54/34/13/570543413.db2.gz PEMLYUKDSUYUQI-IWIPYMOSSA-N 0 1 392.572 6.085 40 30 GKEBMN C=C[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21 ZINC000003999920 570613014 /nfs/dbraw/zinc/61/30/14/570613014.db2.gz XOEFQGQIXMPRIN-KAORUIQYSA-N 0 1 398.506 5.029 40 30 GKEBMN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)S2)c1 ZINC000059426814 570656978 /nfs/dbraw/zinc/65/69/78/570656978.db2.gz CWSPRKLEXLYEKS-CHHVJCJISA-N 0 1 393.295 5.207 40 30 GKEBMN Clc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012466731 570671737 /nfs/dbraw/zinc/67/17/37/570671737.db2.gz FAPKWGFGBLBQRP-ONUIUJJFSA-N 0 1 387.914 5.062 40 30 GKEBMN COc1cc(Cl)cc(/C=N\c2ccc(O)c(-c3nc4ccccc4o3)c2)c1O ZINC000016194973 570917183 /nfs/dbraw/zinc/91/71/83/570917183.db2.gz SZNWXALQWJWHKU-KSEXSDGBSA-N 0 1 394.814 5.319 40 30 GKEBMN N=C1SC(=Cc2ccccc2OCc2ccccc2)C(O)=C1c1nccs1 ZINC000137970245 571048671 /nfs/dbraw/zinc/04/86/71/571048671.db2.gz AYQNIHBOKHFKRB-NQQPCKHTSA-N 0 1 392.505 5.140 40 30 GKEBMN Cc1c(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000408592026 231071290 /nfs/dbraw/zinc/07/12/90/231071290.db2.gz XDMFGUMTUCMPIE-VULFUBBASA-N 0 1 397.457 5.459 40 30 GKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(OC(C)C)cc1OC(C)C ZINC000408692424 231095054 /nfs/dbraw/zinc/09/50/54/231095054.db2.gz MFCPMCSRRHYJOA-OEAKJJBVSA-N 0 1 380.492 5.077 40 30 GKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OC(C)C)cc1OC(C)C ZINC000408692424 231095057 /nfs/dbraw/zinc/09/50/57/231095057.db2.gz MFCPMCSRRHYJOA-OEAKJJBVSA-N 0 1 380.492 5.077 40 30 GKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408692568 231095318 /nfs/dbraw/zinc/09/53/18/231095318.db2.gz PMKZXIXWNPPPIL-ZVHZXABRSA-N 0 1 391.906 5.563 40 30 GKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408692523 231095658 /nfs/dbraw/zinc/09/56/58/231095658.db2.gz OJZFHDFMCPRZKV-DHRITJCHSA-N 0 1 398.388 5.781 40 30 GKEBMN Fc1ccccc1COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409095853 231159073 /nfs/dbraw/zinc/15/90/73/231159073.db2.gz DOJZDCACHMUZNZ-KBKYJPHKSA-N 0 1 389.352 5.265 40 30 GKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)nc1 ZINC000409107583 231162532 /nfs/dbraw/zinc/16/25/32/231162532.db2.gz RZRKQLWKPROUSS-NSKAYECMSA-N 0 1 399.294 5.825 40 30 GKEBMN