smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000408529069 557294171 /nfs/dbraw/zinc/29/41/71/557294171.db2.gz BZBFFXSRJAZWIK-HNNXBMFYSA-N 0 2 414.259 3.667 40 30 HHEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccccc1Cl ZINC000408533258 557316707 /nfs/dbraw/zinc/31/67/07/557316707.db2.gz JRXBVFWXGQFXKQ-LBPRGKRZSA-N 0 2 409.751 3.960 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000408537259 557338201 /nfs/dbraw/zinc/33/82/01/557338201.db2.gz UUQLBTHVRRUACN-AWEZNQCLSA-N 0 2 420.650 3.704 40 30 HHEBLN CC(=O)c1ccc(N=Cc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000005379235 557649661 /nfs/dbraw/zinc/64/96/61/557649661.db2.gz HLCBADOXDOLFLP-MNZIXWNWSA-N 0 2 404.382 3.920 40 30 HHEBLN O=C1/C(=N/N=C/c2cc([N+](=O)[O-])ccc2O)c2ccccc2N1Cc1ccccc1 ZINC000036237498 557844428 /nfs/dbraw/zinc/84/44/28/557844428.db2.gz FKWGZQUDVCVAIE-LVPJLCKRSA-N 0 2 400.394 3.670 40 30 HHEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000102408130 559150243 /nfs/dbraw/zinc/15/02/43/559150243.db2.gz CJJOFPPAVBQNKD-OLRQPGBRSA-N 0 2 401.463 3.815 40 30 HHEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000102408130 559150244 /nfs/dbraw/zinc/15/02/44/559150244.db2.gz CJJOFPPAVBQNKD-OLRQPGBRSA-N 0 2 401.463 3.815 40 30 HHEBLN Cc1ccc(Cl)cc1NC(=O)CC1S/C(=N\c2ccccc2)N(CCO)C1=O ZINC000004957306 560617428 /nfs/dbraw/zinc/61/74/28/560617428.db2.gz KOIUOEYTTXBQTC-SLNYWTKHSA-N 0 2 417.918 3.601 40 30 HHEBLN Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCO)C1=O ZINC000004957306 560617430 /nfs/dbraw/zinc/61/74/30/560617430.db2.gz KOIUOEYTTXBQTC-SLNYWTKHSA-N 0 2 417.918 3.601 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl ZINC000408807627 560643533 /nfs/dbraw/zinc/64/35/33/560643533.db2.gz DJFMIQSWJGWKFW-LFIBNONCSA-N 0 2 408.841 3.635 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000408817229 560644691 /nfs/dbraw/zinc/64/46/91/560644691.db2.gz ZZGYRGZZBVDULH-LFIBNONCSA-N 0 2 408.841 3.635 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408814595 560645187 /nfs/dbraw/zinc/64/51/87/560645187.db2.gz VUMYLGWNUNQVLJ-LICLKQGHSA-N 0 2 412.829 3.580 40 30 HHEBLN N#C[C@@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000014163257 560839390 /nfs/dbraw/zinc/83/93/90/560839390.db2.gz MLYLVYXHNZGNRZ-LSDHHAIUSA-N 0 2 409.243 3.564 40 30 HHEBLN N#CC1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000014163257 560839392 /nfs/dbraw/zinc/83/93/92/560839392.db2.gz MLYLVYXHNZGNRZ-LSDHHAIUSA-N 0 2 409.243 3.564 40 30 HHEBLN COC1CCC(NC(=O)C2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1 ZINC000102219138 569038773 /nfs/dbraw/zinc/03/87/73/569038773.db2.gz CCUYHRBABHEYMM-UHFFFAOYSA-N 0 2 419.259 3.867 40 30 HHEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OC ZINC000208530629 970018465 /nfs/dbraw/zinc/01/84/65/970018465.db2.gz YBCXBQHCYBZKLC-UYRXBGFRSA-N 0 2 420.465 3.661 40 30 HHEBLN N#Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)sc2c1CCCC2 ZINC000005768671 132307902 /nfs/dbraw/zinc/30/79/02/132307902.db2.gz LLADPNQTYVONSH-ZROIWOOFSA-N 0 2 411.870 3.818 40 30 HHEBLN CCNC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000020608892 521738907 /nfs/dbraw/zinc/73/89/07/521738907.db2.gz ZSCVMPMWLYRAOI-BJUXRVGASA-N 0 2 403.454 3.623 40 30 HHEBLN CCNC(=O)CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000020608892 521738908 /nfs/dbraw/zinc/73/89/08/521738908.db2.gz ZSCVMPMWLYRAOI-BJUXRVGASA-N 0 2 403.454 3.623 40 30 HHEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000408535956 557325756 /nfs/dbraw/zinc/32/57/56/557325756.db2.gz PGIRDINNVMQFBD-OAHLLOKOSA-N 0 2 406.225 3.604 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000408536487 557340459 /nfs/dbraw/zinc/34/04/59/557340459.db2.gz RQYMWTFWDBSQPR-AWEZNQCLSA-N 0 2 409.751 3.960 40 30 HHEBLN CC(=O)OCC[C@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O ZINC000009914736 557851396 /nfs/dbraw/zinc/85/13/96/557851396.db2.gz WGYDORQHYKEMHZ-QNDYCBLQSA-N 0 2 420.494 3.710 40 30 HHEBLN N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc2ccccc21 ZINC000019961531 558315716 /nfs/dbraw/zinc/31/57/16/558315716.db2.gz KAAOMGARMCRBBW-MOPGFXCFSA-N 0 2 407.433 3.890 40 30 HHEBLN N#CC1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc2ccccc21 ZINC000019961531 558315718 /nfs/dbraw/zinc/31/57/18/558315718.db2.gz KAAOMGARMCRBBW-MOPGFXCFSA-N 0 2 407.433 3.890 40 30 HHEBLN O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(C[NH+]3CCOCC3)cc2)c1[O-] ZINC000016401461 558790054 /nfs/dbraw/zinc/79/00/54/558790054.db2.gz WZZDZTGYHQUJDV-RGVLZGJSSA-N 0 2 420.263 3.646 40 30 HHEBLN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000085409733 559056829 /nfs/dbraw/zinc/05/68/29/559056829.db2.gz VTJFBOALWGFTQH-CQSZACIVSA-N 0 2 413.436 3.896 40 30 HHEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Cl)C(=O)N2C)cc1 ZINC000096703689 559112188 /nfs/dbraw/zinc/11/21/88/559112188.db2.gz IQWNBVLUSNLLMA-QQMHEVNUSA-N 0 2 403.891 3.939 40 30 HHEBLN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NNc1ccc(C)c(Br)c1 ZINC000100586144 559136867 /nfs/dbraw/zinc/13/68/67/559136867.db2.gz KLJRSSUSEUBRQG-SILNSSARSA-N 0 2 416.235 3.856 40 30 HHEBLN C[C@H](CCC[C@H](C)OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1 ZINC000104184949 559158772 /nfs/dbraw/zinc/15/87/72/559158772.db2.gz LBNFNRQHFFCJDC-CALCHBBNSA-N 0 2 412.529 3.745 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000408789239 560641601 /nfs/dbraw/zinc/64/16/01/560641601.db2.gz KSUWWTOZIVNDHV-CPNJWEJPSA-N 0 2 420.465 3.933 40 30 HHEBLN COc1ccc(/C=N/N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)SC2=S)cc1 ZINC000003166790 568858999 /nfs/dbraw/zinc/85/89/99/568858999.db2.gz NUUJPEYAQVPDIO-KPUGQTCVSA-N 0 2 415.452 3.544 40 30 HHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957321 569051815 /nfs/dbraw/zinc/05/18/15/569051815.db2.gz UXEFXOSZOLNZBV-OULXMMDFSA-N 0 2 409.511 3.826 40 30 HHEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957321 569051816 /nfs/dbraw/zinc/05/18/16/569051816.db2.gz UXEFXOSZOLNZBV-OULXMMDFSA-N 0 2 409.511 3.826 40 30 HHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957320 569051837 /nfs/dbraw/zinc/05/18/37/569051837.db2.gz UXEFXOSZOLNZBV-VPFBMLCFSA-N 0 2 409.511 3.826 40 30 HHEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957320 569051838 /nfs/dbraw/zinc/05/18/38/569051838.db2.gz UXEFXOSZOLNZBV-VPFBMLCFSA-N 0 2 409.511 3.826 40 30 HHEBLN N=C1SC(=Cc2ccc(I)o2)C(O)=C1c1nccs1 ZINC000013045050 569362215 /nfs/dbraw/zinc/36/22/15/569362215.db2.gz DZDBAHKTPVKZBZ-PNNFAKIXSA-N 0 2 402.238 3.759 40 30 HHEBLN C=CCc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc(OC)c1O ZINC000108007546 569362800 /nfs/dbraw/zinc/36/28/00/569362800.db2.gz DEMPZEFDEILIJA-GIWXBQODSA-N 0 2 401.513 3.961 40 30 HHEBLN CCNC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000020608891 521738904 /nfs/dbraw/zinc/73/89/04/521738904.db2.gz ZSCVMPMWLYRAOI-DJUDNFEDSA-N 0 2 403.454 3.623 40 30 HHEBLN CCNC(=O)CC1S/C(=N\c2ccc(F)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000020608891 521738905 /nfs/dbraw/zinc/73/89/05/521738905.db2.gz ZSCVMPMWLYRAOI-DJUDNFEDSA-N 0 2 403.454 3.623 40 30 HHEBLN O=c1[nH]ncc(NN=Cc2cc(Br)c(O)c(Br)c2)c1Cl ZINC000040194263 526381649 /nfs/dbraw/zinc/38/16/49/526381649.db2.gz QLDFRJJDOQQCPD-CQPUUCJISA-N 0 2 422.464 3.512 40 30 HHEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000408528649 557292071 /nfs/dbraw/zinc/29/20/71/557292071.db2.gz BQTYHZKTOYMVSG-HNNXBMFYSA-N 0 2 406.225 3.604 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408536186 557328558 /nfs/dbraw/zinc/32/85/58/557328558.db2.gz QDZNVXPSOKTBPS-CQSZACIVSA-N 0 2 420.650 3.704 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1C(F)(F)F ZINC000408536337 557330241 /nfs/dbraw/zinc/33/02/41/557330241.db2.gz QYDVJPAODKMTBC-LBPRGKRZSA-N 0 2 409.751 3.960 40 30 HHEBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3sc4c(c3C#N)CCCC4)C2=O)c1 ZINC000408526452 569385807 /nfs/dbraw/zinc/38/58/07/569385807.db2.gz CATMBZADJPNELV-LFIBNONCSA-N 0 2 420.494 3.694 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000408532617 557314943 /nfs/dbraw/zinc/31/49/43/557314943.db2.gz INHOKKWLXCLXBU-CQSZACIVSA-N 0 2 420.650 3.704 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl ZINC000408818527 560644807 /nfs/dbraw/zinc/64/48/07/560644807.db2.gz YIEUEWYXGFLKOL-LFIBNONCSA-N 0 2 408.841 3.635 40 30 HHEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000059245291 520858126 /nfs/dbraw/zinc/85/81/26/520858126.db2.gz WFHIJAOHQQGBIP-XGIGFIBQSA-N 0 2 401.463 3.815 40 30 HHEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000007883249 557766573 /nfs/dbraw/zinc/76/65/73/557766573.db2.gz MENUNSIJJHJVQI-INIZCTEOSA-N 0 2 403.891 3.987 40 30 HHEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000007883249 557766577 /nfs/dbraw/zinc/76/65/77/557766577.db2.gz MENUNSIJJHJVQI-INIZCTEOSA-N 0 2 403.891 3.987 40 30 HHEBLN COc1cccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)c1 ZINC000020220346 558348898 /nfs/dbraw/zinc/34/88/98/558348898.db2.gz CSUYPNOVDIGXDX-BWORXHKJSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1cccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)c1 ZINC000020220346 558348899 /nfs/dbraw/zinc/34/88/99/558348899.db2.gz CSUYPNOVDIGXDX-BWORXHKJSA-N 0 2 403.891 3.939 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408802120 560642328 /nfs/dbraw/zinc/64/23/28/560642328.db2.gz DGEMLPBLGYMDNA-XNTDXEJSSA-N 0 2 415.232 3.672 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408809124 560643888 /nfs/dbraw/zinc/64/38/88/560643888.db2.gz KBOASZCSGHFPKW-SFQUDFHCSA-N 0 2 408.841 3.635 40 30 HHEBLN CCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408961115 560658127 /nfs/dbraw/zinc/65/81/27/560658127.db2.gz AEHCOHBUDZRVDA-MORMLQEESA-N 0 2 412.471 3.990 40 30 HHEBLN N#Cc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC3=[NH+]CCc4ccccc43)C2)cc1 ZINC000049590498 291258301 /nfs/dbraw/zinc/25/83/01/291258301.db2.gz CGDKSQJVGICDQE-SFTDATJTSA-N 0 2 415.493 3.547 40 30 biogenic,in-vitro HHEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408537863 557350237 /nfs/dbraw/zinc/35/02/37/557350237.db2.gz XUFZOKFGJJNUNP-CYBMUJFWSA-N 0 2 406.225 3.604 40 30 HHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000020157565 558342323 /nfs/dbraw/zinc/34/23/23/558342323.db2.gz MRENSLCLHUSHEL-JKHIYUEESA-N 0 2 418.881 3.820 40 30 HHEBLN C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000020157565 558342324 /nfs/dbraw/zinc/34/23/24/558342324.db2.gz MRENSLCLHUSHEL-JKHIYUEESA-N 0 2 418.881 3.820 40 30 HHEBLN C=CCc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc(OC)c1O ZINC000136990856 559290983 /nfs/dbraw/zinc/29/09/83/559290983.db2.gz DEMPZEFDEILIJA-ZCRYVNTJSA-N 0 2 401.513 3.961 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000408810356 560644015 /nfs/dbraw/zinc/64/40/15/560644015.db2.gz MAXCGPGFJXPKHY-SFQUDFHCSA-N 0 2 406.438 3.543 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408819539 560644823 /nfs/dbraw/zinc/64/48/23/560644823.db2.gz ZHBCYGXQGLWMRH-LDADJPATSA-N 0 2 408.841 3.635 40 30 HHEBLN COCCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)S/C1=N\c1ccccc1 ZINC000408940697 560656247 /nfs/dbraw/zinc/65/62/47/560656247.db2.gz VHRGSTHRHBOPFG-PQDITWEDSA-N 0 2 413.455 3.941 40 30 HHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000008571246 560755829 /nfs/dbraw/zinc/75/58/29/560755829.db2.gz RXHTWVOELGMUEZ-HMMYKYKNSA-N 0 2 410.429 3.827 40 30 HHEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1C ZINC000012416978 560780544 /nfs/dbraw/zinc/78/05/44/560780544.db2.gz QEUOFRDIZLNYAM-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C ZINC000012416978 560780547 /nfs/dbraw/zinc/78/05/47/560780547.db2.gz QEUOFRDIZLNYAM-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC#N ZINC000059135549 568701209 /nfs/dbraw/zinc/70/12/09/568701209.db2.gz NKSKAFKPLRZOKW-QGOAFFKASA-N 0 2 405.385 3.963 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000408527819 557285884 /nfs/dbraw/zinc/28/58/84/557285884.db2.gz ACQXSJOGEVNCDN-INIZCTEOSA-N 0 2 414.259 3.667 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000408535234 557320168 /nfs/dbraw/zinc/32/01/68/557320168.db2.gz NGZQVOCXVUAULC-OAHLLOKOSA-N 0 2 403.360 3.924 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408536184 557328549 /nfs/dbraw/zinc/32/85/49/557328549.db2.gz QDZNVXPSOKTBPS-AWEZNQCLSA-N 0 2 420.650 3.704 40 30 HHEBLN C=CCSc1nnc(NS(=O)(=O)Cc2cccc(Br)c2)s1 ZINC000225526988 559272065 /nfs/dbraw/zinc/27/20/65/559272065.db2.gz MLNUZUKORBZXSZ-UHFFFAOYSA-N 0 2 406.352 3.521 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC#N ZINC000408766274 560629941 /nfs/dbraw/zinc/62/99/41/560629941.db2.gz BERPGLMLLDHUAI-XSFVSMFZSA-N 0 2 415.449 3.601 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl ZINC000408804875 560643292 /nfs/dbraw/zinc/64/32/92/560643292.db2.gz BWSSGRHBWCKTFI-SFQUDFHCSA-N 0 2 408.841 3.581 40 30 HHEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408807870 560643635 /nfs/dbraw/zinc/64/36/35/560643635.db2.gz LHBAIYHRHHCHFH-XSFVSMFZSA-N 0 2 414.417 3.777 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC ZINC000408855346 560647732 /nfs/dbraw/zinc/64/77/32/560647732.db2.gz LWRBWQHGVSXXBG-XDHOZWIPSA-N 0 2 420.465 3.716 40 30 HHEBLN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000409090196 560675177 /nfs/dbraw/zinc/67/51/77/560675177.db2.gz MFUCAAMGRZTDGK-XFFZJAGNSA-N 0 2 416.282 3.657 40 30 HHEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000408535954 557325683 /nfs/dbraw/zinc/32/56/83/557325683.db2.gz PGIRDINNVMQFBD-HNNXBMFYSA-N 0 2 406.225 3.604 40 30 HHEBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408535376 557331897 /nfs/dbraw/zinc/33/18/97/557331897.db2.gz NVSLHEZKLACIJQ-HNNXBMFYSA-N 0 2 414.259 3.613 40 30 HHEBLN COc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000096703652 559112192 /nfs/dbraw/zinc/11/21/92/559112192.db2.gz IMGSDAGDOBCFHL-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000096703652 559112193 /nfs/dbraw/zinc/11/21/93/559112193.db2.gz IMGSDAGDOBCFHL-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN C[C@H](CCC[C@@H](C)OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1 ZINC000104184953 559158768 /nfs/dbraw/zinc/15/87/68/559158768.db2.gz LBNFNRQHFFCJDC-IAGOWNOFSA-N 0 2 412.529 3.745 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N ZINC000408776845 560639273 /nfs/dbraw/zinc/63/92/73/560639273.db2.gz ZWUIUCLLEIWSQG-QGOAFFKASA-N 0 2 421.840 3.637 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000408804641 560643255 /nfs/dbraw/zinc/64/32/55/560643255.db2.gz ZEABYKUZGXDOQQ-SDNWHVSQSA-N 0 2 412.829 3.580 40 30 HHEBLN C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000409246908 560701597 /nfs/dbraw/zinc/70/15/97/560701597.db2.gz KXGRYDVTJJEOCK-SFQUDFHCSA-N 0 2 417.852 3.903 40 30 HHEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCC#N ZINC000033645503 569362327 /nfs/dbraw/zinc/36/23/27/569362327.db2.gz GKRVHCQBFVFXPT-UATKAOAOSA-N 0 2 414.512 3.819 40 30 HHEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102408134 521072775 /nfs/dbraw/zinc/07/27/75/521072775.db2.gz YBFLBGOQWRORIN-HLGQQVFSSA-N 0 2 401.463 3.815 40 30 HHEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102408134 521072790 /nfs/dbraw/zinc/07/27/90/521072790.db2.gz YBFLBGOQWRORIN-HLGQQVFSSA-N 0 2 401.463 3.815 40 30 HHEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)N2C)cc1 ZINC000101650698 523875235 /nfs/dbraw/zinc/87/52/35/523875235.db2.gz BXLDYYYTQNFDRS-UAFUQJIBSA-N 0 2 412.471 3.747 40 30 HHEBLN N=C1SC(=Cc2ccc(I)o2)C(O)=C1c1nccs1 ZINC000137464949 559292556 /nfs/dbraw/zinc/29/25/56/559292556.db2.gz DZDBAHKTPVKZBZ-YNKQSMSHSA-N 0 2 402.238 3.759 40 30 HHEBLN Cc1ccc(Cl)cc1NC(=O)CC1S/C(=N\c2ccccc2)N(CCO)C1=O ZINC000004957307 560617483 /nfs/dbraw/zinc/61/74/83/560617483.db2.gz KOIUOEYTTXBQTC-WXVFVKJXSA-N 0 2 417.918 3.601 40 30 HHEBLN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O ZINC000004957307 560617484 /nfs/dbraw/zinc/61/74/84/560617484.db2.gz KOIUOEYTTXBQTC-WXVFVKJXSA-N 0 2 417.918 3.601 40 30 HHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1Cl ZINC000408867916 560648587 /nfs/dbraw/zinc/64/85/87/560648587.db2.gz KQFPRVXMQCIWIN-VBKFSLOCSA-N 0 2 408.841 3.581 40 30 HHEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)N2C)cc1C ZINC000008306697 568497170 /nfs/dbraw/zinc/49/71/70/568497170.db2.gz FZMOWDOSEHIZKU-SGRLSNSRSA-N 0 2 412.471 3.802 40 30 HHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000001657198 557279189 /nfs/dbraw/zinc/27/91/89/557279189.db2.gz JCZRVLWDCPUWKW-UBKPWBPPSA-N 0 2 424.649 3.573 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C ZINC000408535292 557330835 /nfs/dbraw/zinc/33/08/35/557330835.db2.gz NLXFQGNGWOOOSX-INIZCTEOSA-N 0 2 403.360 3.924 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Br ZINC000408536954 557335874 /nfs/dbraw/zinc/33/58/74/557335874.db2.gz UDNWDYCYBQPMOY-GFCCVEGCSA-N 0 2 420.650 3.704 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000408536488 557340425 /nfs/dbraw/zinc/34/04/25/557340425.db2.gz RQYMWTFWDBSQPR-CQSZACIVSA-N 0 2 409.751 3.960 40 30 HHEBLN CCOc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408536482 557340437 /nfs/dbraw/zinc/34/04/37/557340437.db2.gz ROYMAJXIVVQWRS-INIZCTEOSA-N 0 2 419.359 3.706 40 30 HHEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3OC)C(=O)N2C)cc1 ZINC000059245300 558932649 /nfs/dbraw/zinc/93/26/49/558932649.db2.gz NFWPJVRILNIALQ-KHOFPDMRSA-N 0 2 413.499 3.684 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408802908 560642773 /nfs/dbraw/zinc/64/27/73/560642773.db2.gz JBMLCCGEHHCHCF-MHWRWJLKSA-N 0 2 412.829 3.580 40 30 HHEBLN C=CCn1c(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000408912461 560652559 /nfs/dbraw/zinc/65/25/59/560652559.db2.gz GQJSRYLFLFVIFN-CPNJWEJPSA-N 0 2 403.413 3.941 40 30 HHEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000006155610 557692038 /nfs/dbraw/zinc/69/20/38/557692038.db2.gz RQLVLYHJIUSIMD-HLGQQVFSSA-N 0 2 401.463 3.815 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408785215 560641388 /nfs/dbraw/zinc/64/13/88/560641388.db2.gz ZZUPZZWHZWOVNY-LDADJPATSA-N 0 2 406.438 3.543 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408807235 560642720 /nfs/dbraw/zinc/64/27/20/560642720.db2.gz GOSTUJDHCXQWFD-SFQUDFHCSA-N 0 2 408.841 3.635 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408803633 560643003 /nfs/dbraw/zinc/64/30/03/560643003.db2.gz RKIRCPMZXANGQQ-LDADJPATSA-N 0 2 406.438 3.543 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000408818559 560644752 /nfs/dbraw/zinc/64/47/52/560644752.db2.gz VZUXSCWJWMCXBR-GZTJUZNOSA-N 0 2 408.841 3.635 40 30 HHEBLN C#CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408899989 560651226 /nfs/dbraw/zinc/65/12/26/560651226.db2.gz QWJXQZMVHQYWBL-SILNSSARSA-N 0 2 418.449 3.544 40 30 HHEBLN C#CCN1C(=O)S/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O ZINC000409049861 560669924 /nfs/dbraw/zinc/66/99/24/560669924.db2.gz YHEZNLUMXWVIED-UXBLZVDNSA-N 0 2 417.078 3.587 40 30 HHEBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000408900480 569386386 /nfs/dbraw/zinc/38/63/86/569386386.db2.gz SXFGXZMSOGCAFN-LPYMAVHISA-N 0 2 424.460 3.941 40 30 HHEBLN Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C#N)cc4[nH]3)C2)c2ccccc21 ZINC000096112290 291257688 /nfs/dbraw/zinc/25/76/88/291257688.db2.gz JRMSMJRIEZDBIQ-GCJKJVERSA-N 0 2 403.461 3.665 40 30 biogenic,in-vitro HHEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000408528656 557292166 /nfs/dbraw/zinc/29/21/66/557292166.db2.gz BQTYHZKTOYMVSG-OAHLLOKOSA-N 0 2 406.225 3.604 40 30 HHEBLN N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc2ccccc21 ZINC000019961523 558315754 /nfs/dbraw/zinc/31/57/54/558315754.db2.gz KAAOMGARMCRBBW-OALUTQOASA-N 0 2 407.433 3.890 40 30 HHEBLN N#CC1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc2ccccc21 ZINC000019961523 558315758 /nfs/dbraw/zinc/31/57/58/558315758.db2.gz KAAOMGARMCRBBW-OALUTQOASA-N 0 2 407.433 3.890 40 30 HHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2cccc(Cl)c2)S1)c1cccs1 ZINC000020157663 558342351 /nfs/dbraw/zinc/34/23/51/558342351.db2.gz GUFFURKPTPLUPK-MNUWJXFPSA-N 0 2 406.920 3.742 40 30 HHEBLN C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1)c1cccs1 ZINC000020157663 558342353 /nfs/dbraw/zinc/34/23/53/558342353.db2.gz GUFFURKPTPLUPK-MNUWJXFPSA-N 0 2 406.920 3.742 40 30 HHEBLN CCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000102408127 559150241 /nfs/dbraw/zinc/15/02/41/559150241.db2.gz CJJOFPPAVBQNKD-LRWZUSMTSA-N 0 2 401.463 3.815 40 30 HHEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000102408127 559150242 /nfs/dbraw/zinc/15/02/42/559150242.db2.gz CJJOFPPAVBQNKD-LRWZUSMTSA-N 0 2 401.463 3.815 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000408800852 560642300 /nfs/dbraw/zinc/64/23/00/560642300.db2.gz PVJQARJIGKFGCL-OQLLNIDSSA-N 0 2 415.232 3.672 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC#N ZINC000408857167 560647385 /nfs/dbraw/zinc/64/73/85/560647385.db2.gz NKHHQOIJVGVIJF-XSFVSMFZSA-N 0 2 415.449 3.601 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000006355038 560741324 /nfs/dbraw/zinc/74/13/24/560741324.db2.gz UNWGVISQMXADIM-GHRIWEEISA-N 0 2 406.438 3.625 40 30 HHEBLN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)N2C)cc1C ZINC000008306696 568497198 /nfs/dbraw/zinc/49/71/98/568497198.db2.gz FZMOWDOSEHIZKU-UAFUQJIBSA-N 0 2 412.471 3.802 40 30 HHEBLN C=CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000016196201 569005270 /nfs/dbraw/zinc/00/52/70/569005270.db2.gz ANAAKBGERGOYGY-WJDWOHSUSA-N 0 2 423.381 3.675 40 30 HHEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408529907 557291563 /nfs/dbraw/zinc/29/15/63/557291563.db2.gz DKKGRKDMINPAPI-AWEZNQCLSA-N 0 2 409.751 3.960 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000408537840 557349921 /nfs/dbraw/zinc/34/99/21/557349921.db2.gz XPJNUXQMGHIMLB-LBPRGKRZSA-N 0 2 420.650 3.704 40 30 HHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000020157568 558342337 /nfs/dbraw/zinc/34/23/37/558342337.db2.gz MRENSLCLHUSHEL-PZLKWIMZSA-N 0 2 418.881 3.820 40 30 HHEBLN C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000020157568 558342340 /nfs/dbraw/zinc/34/23/40/558342340.db2.gz MRENSLCLHUSHEL-PZLKWIMZSA-N 0 2 418.881 3.820 40 30 HHEBLN CCOc1cccc(NC(=O)CC2S/C(=N/c3cccc(OC)c3)N(C)C2=O)c1 ZINC000102406738 559150142 /nfs/dbraw/zinc/15/01/42/559150142.db2.gz GKSDYHFCSGIUQY-MLSMKVKPSA-N 0 2 413.499 3.684 40 30 HHEBLN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(OC)c3)N(C)C2=O)c1 ZINC000102406738 559150144 /nfs/dbraw/zinc/15/01/44/559150144.db2.gz GKSDYHFCSGIUQY-MLSMKVKPSA-N 0 2 413.499 3.684 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408803604 560642940 /nfs/dbraw/zinc/64/29/40/560642940.db2.gz RAWRNNLHJGRPMB-SFQUDFHCSA-N 0 2 408.841 3.635 40 30 HHEBLN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)S2)cc1 ZINC000408963465 560658764 /nfs/dbraw/zinc/65/87/64/560658764.db2.gz BTFXJJKVXSPBKT-VGOFMYFVSA-N 0 2 405.819 3.854 40 30 HHEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC#N ZINC000408981917 560661092 /nfs/dbraw/zinc/66/10/92/560661092.db2.gz DRIVVAMZYDZNSI-HKWRFOASSA-N 0 2 415.449 3.546 40 30 HHEBLN Cc1cc(N=NCc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000038194638 525045364 /nfs/dbraw/zinc/04/53/64/525045364.db2.gz RDSZSUMJMOBTIS-NDENLUEZSA-N 0 2 401.879 3.685 40 30 HHEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1=O ZINC000408532612 557314692 /nfs/dbraw/zinc/31/46/92/557314692.db2.gz INFSLRXAMMDOFY-CYBMUJFWSA-N 0 2 406.225 3.604 40 30 HHEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000101662050 559147541 /nfs/dbraw/zinc/14/75/41/559147541.db2.gz HPKAVABYTZPGCE-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000101662050 559147543 /nfs/dbraw/zinc/14/75/43/559147543.db2.gz HPKAVABYTZPGCE-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408782806 560641225 /nfs/dbraw/zinc/64/12/25/560641225.db2.gz ZDVREYGLJWRTST-LDADJPATSA-N 0 2 406.438 3.543 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408803607 560643010 /nfs/dbraw/zinc/64/30/10/560643010.db2.gz RCBDPRPOVQBWBG-XDHOZWIPSA-N 0 2 406.438 3.543 40 30 HHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408804827 560643278 /nfs/dbraw/zinc/64/32/78/560643278.db2.gz BPUVHZHUHHTEPS-RCCKNPSSSA-N 0 2 410.429 3.827 40 30 HHEBLN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000408860191 560647985 /nfs/dbraw/zinc/64/79/85/560647985.db2.gz SYDNZLSFPUBAQT-CHHVJCJISA-N 0 2 405.819 3.854 40 30 HHEBLN O=[N+]([O-])c1ccc(O)c(/C=N\NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000017379847 558827292 /nfs/dbraw/zinc/82/72/92/558827292.db2.gz JCZRVLWDCPUWKW-FMQZQXMHSA-N 0 2 424.649 3.573 40 30 HHEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2C)cc1 ZINC000083309930 559051909 /nfs/dbraw/zinc/05/19/09/559051909.db2.gz KCKCEZBMTNMGFX-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2C)cc1 ZINC000083309928 559051910 /nfs/dbraw/zinc/05/19/10/559051910.db2.gz KCKCEZBMTNMGFX-QKDOTCOFSA-N 0 2 403.891 3.939 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OC ZINC000408768584 560638861 /nfs/dbraw/zinc/63/88/61/560638861.db2.gz HHWUFGJBQNPBNZ-CPNJWEJPSA-N 0 2 420.465 3.797 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408803538 560642965 /nfs/dbraw/zinc/64/29/65/560642965.db2.gz QGCADURDOUFRRK-QGOAFFKASA-N 0 2 408.841 3.581 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000408808433 560643655 /nfs/dbraw/zinc/64/36/55/560643655.db2.gz POIYMTREXOBFOA-QGOAFFKASA-N 0 2 420.465 3.933 40 30 HHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1CC=C ZINC000408982431 560661109 /nfs/dbraw/zinc/66/11/09/560661109.db2.gz GYSVECBGZFLFDP-PGMHBOJBSA-N 0 2 414.461 3.656 40 30 HHEBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC#N)c(OC)c3)C2=O)cc1 ZINC000034106349 568698690 /nfs/dbraw/zinc/69/86/90/568698690.db2.gz ARHRMFQHOJMKKN-SFQUDFHCSA-N 0 2 421.409 3.503 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1C(F)(F)F ZINC000408536336 557330246 /nfs/dbraw/zinc/33/02/46/557330246.db2.gz QYDVJPAODKMTBC-GFCCVEGCSA-N 0 2 409.751 3.960 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Br ZINC000408536955 557335920 /nfs/dbraw/zinc/33/59/20/557335920.db2.gz UDNWDYCYBQPMOY-LBPRGKRZSA-N 0 2 420.650 3.704 40 30 HHEBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408537709 557349791 /nfs/dbraw/zinc/34/97/91/557349791.db2.gz WSFBMQUACZPLJA-HNNXBMFYSA-N 0 2 403.360 3.869 40 30 HHEBLN CCOc1ccccc1NC(=O)CCSc1nnc(N[NH+]=Cc2ccccc2)[n-]1 ZINC000009695115 557848480 /nfs/dbraw/zinc/84/84/80/557848480.db2.gz CWLGTGFSCWDCMZ-KGENOOAVSA-N 0 2 410.503 3.770 40 30 HHEBLN N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc21 ZINC000019961535 558315856 /nfs/dbraw/zinc/31/58/56/558315856.db2.gz KAAOMGARMCRBBW-RTBURBONSA-N 0 2 407.433 3.890 40 30 HHEBLN N#CC1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc21 ZINC000019961535 558315860 /nfs/dbraw/zinc/31/58/60/558315860.db2.gz KAAOMGARMCRBBW-RTBURBONSA-N 0 2 407.433 3.890 40 30 HHEBLN Cc1ccc(/N=C2\S[C@H](CC(=O)NCCc3ccccc3)C(=O)N2C)cc1Cl ZINC000020395238 558359935 /nfs/dbraw/zinc/35/99/35/558359935.db2.gz CERMMXTZDZLKAU-GOTYSUTNSA-N 0 2 415.946 3.959 40 30 HHEBLN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000085409736 559056834 /nfs/dbraw/zinc/05/68/34/559056834.db2.gz VTJFBOALWGFTQH-AWEZNQCLSA-N 0 2 413.436 3.896 40 30 HHEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408807730 560642593 /nfs/dbraw/zinc/64/25/93/560642593.db2.gz OOCITSOGFXRIJU-XNTDXEJSSA-N 0 2 412.829 3.580 40 30 HHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408984442 560661921 /nfs/dbraw/zinc/66/19/21/560661921.db2.gz RBVIQQXTCTYDCF-RGEXLXHISA-N 0 2 420.465 3.879 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCCC ZINC000409069865 560673181 /nfs/dbraw/zinc/67/31/81/560673181.db2.gz YDEBJIBFGXPPPI-XMHGGMMESA-N 0 2 420.465 3.879 40 30 HHEBLN O=C1CCCCC1=CNc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC000018069252 560871058 /nfs/dbraw/zinc/87/10/58/560871058.db2.gz UJFIQSDCHCDASH-SQFISAMPSA-N 0 2 408.483 3.870 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408530435 557298883 /nfs/dbraw/zinc/29/88/83/557298883.db2.gz FJPKELGKUHJKAS-AWEZNQCLSA-N 0 2 420.650 3.704 40 30 HHEBLN CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1 ZINC000006155609 557692086 /nfs/dbraw/zinc/69/20/86/557692086.db2.gz RQLVLYHJIUSIMD-DVCONVQISA-N 0 2 401.463 3.815 40 30 HHEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000007883248 557766579 /nfs/dbraw/zinc/76/65/79/557766579.db2.gz MENUNSIJJHJVQI-MRXNPFEDSA-N 0 2 403.891 3.987 40 30 HHEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000007883248 557766581 /nfs/dbraw/zinc/76/65/81/557766581.db2.gz MENUNSIJJHJVQI-MRXNPFEDSA-N 0 2 403.891 3.987 40 30 HHEBLN O=C(C[C@H]1SC(=NN=Cc2ccccc2)NC1=O)c1ccc(Br)cc1 ZINC000016805939 558807521 /nfs/dbraw/zinc/80/75/21/558807521.db2.gz HIPMJQREDWBCSU-MBTVCVBTSA-N 0 2 416.300 3.644 40 30 HHEBLN O=C(CC1SC(=NN=Cc2ccccc2)NC1=O)c1ccc(Br)cc1 ZINC000016805939 558807523 /nfs/dbraw/zinc/80/75/23/558807523.db2.gz HIPMJQREDWBCSU-MBTVCVBTSA-N 0 2 416.300 3.644 40 30 HHEBLN COc1ccccc1/N=C1/SC(CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000096703653 559112177 /nfs/dbraw/zinc/11/21/77/559112177.db2.gz IMGSDAGDOBCFHL-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1C ZINC000096703653 559112178 /nfs/dbraw/zinc/11/21/78/559112178.db2.gz IMGSDAGDOBCFHL-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC ZINC000408786455 560641754 /nfs/dbraw/zinc/64/17/54/560641754.db2.gz QDFYGLFKPXJVAM-CPNJWEJPSA-N 0 2 420.465 3.797 40 30 HHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 ZINC000408898362 560651730 /nfs/dbraw/zinc/65/17/30/560651730.db2.gz LRLBYAFMSCGJDU-HKWRFOASSA-N 0 2 406.438 3.707 40 30 HHEBLN Oc1c(Br)cc(CN=Nc2cncc(Cl)n2)cc1Br ZINC000005567091 568447236 /nfs/dbraw/zinc/44/72/36/568447236.db2.gz DGDLROUOLSSOCH-HQYXKAPLSA-N 0 2 406.465 3.807 40 30 HHEBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC#N ZINC000059135057 568701193 /nfs/dbraw/zinc/70/11/93/568701193.db2.gz XKBDWYHYMWEHHX-LFIBNONCSA-N 0 2 409.373 3.633 40 30 HHEBLN CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)[nH]c1=O ZINC000016687745 569070522 /nfs/dbraw/zinc/07/05/22/569070522.db2.gz YZYAWVUVLXKAHZ-UHFFFAOYSA-N 0 2 411.266 3.705 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000408527827 557288005 /nfs/dbraw/zinc/28/80/05/557288005.db2.gz ACQXSJOGEVNCDN-MRXNPFEDSA-N 0 2 414.259 3.667 40 30 HHEBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408537711 557349719 /nfs/dbraw/zinc/34/97/19/557349719.db2.gz WSFBMQUACZPLJA-OAHLLOKOSA-N 0 2 403.360 3.869 40 30 HHEBLN CCc1n[nH]c(=S)n1N=Cc1cc(Br)c(O)c(Br)c1 ZINC000006605184 557710089 /nfs/dbraw/zinc/71/00/89/557710089.db2.gz BHDKYFGPFMJLLT-LHHJGKSTSA-N 0 2 406.103 3.616 40 30 HHEBLN COC(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1 ZINC000006734881 557718413 /nfs/dbraw/zinc/71/84/13/557718413.db2.gz HYPAAQNUGYXEBQ-QGMBQPNBSA-N 0 2 403.441 3.926 40 30 HHEBLN C=CCSc1nnc(NS(=O)(=O)Cc2ccc(Br)cc2)s1 ZINC000224409732 559233378 /nfs/dbraw/zinc/23/33/78/559233378.db2.gz JTMQVXSCIKNLFH-UHFFFAOYSA-N 0 2 406.352 3.521 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C ZINC000408775968 560639090 /nfs/dbraw/zinc/63/90/90/560639090.db2.gz LFKCLNITPHXSNX-XMHGGMMESA-N 0 2 420.852 3.747 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408807838 560643587 /nfs/dbraw/zinc/64/35/87/560643587.db2.gz HXRRWZKFVCQANI-SFQUDFHCSA-N 0 2 406.438 3.543 40 30 HHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408819899 560645443 /nfs/dbraw/zinc/64/54/43/560645443.db2.gz YYBKPUMYYUJXLN-RCCKNPSSSA-N 0 2 410.429 3.827 40 30 HHEBLN C#CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000408981595 560661018 /nfs/dbraw/zinc/66/10/18/560661018.db2.gz BVULVLFEBFZLGQ-WQRHYEAKSA-N 0 2 417.852 3.903 40 30 HHEBLN C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c2ccccc21 ZINC000409221152 560698716 /nfs/dbraw/zinc/69/87/16/560698716.db2.gz LQIJTHZPTOKEFI-NBVRZTHBSA-N 0 2 415.449 3.892 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000408537839 557349871 /nfs/dbraw/zinc/34/98/71/557349871.db2.gz XPJNUXQMGHIMLB-GFCCVEGCSA-N 0 2 420.650 3.704 40 30 HHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000020157671 558342417 /nfs/dbraw/zinc/34/24/17/558342417.db2.gz ICLJTRJHKJIZDW-PLVXZXGYSA-N 0 2 400.891 3.680 40 30 HHEBLN C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000020157671 558342420 /nfs/dbraw/zinc/34/24/20/558342420.db2.gz ICLJTRJHKJIZDW-PLVXZXGYSA-N 0 2 400.891 3.680 40 30 HHEBLN CCOc1cccc(NC(=O)CC2S/C(=N/c3cccc(OC)c3)N(C)C2=O)c1 ZINC000102406737 559150165 /nfs/dbraw/zinc/15/01/65/559150165.db2.gz GKSDYHFCSGIUQY-QCLNCQLRSA-N 0 2 413.499 3.684 40 30 HHEBLN CCOc1cccc(NC(=O)C[C@H]2S/C(=N/c3cccc(OC)c3)N(C)C2=O)c1 ZINC000102406737 559150167 /nfs/dbraw/zinc/15/01/67/559150167.db2.gz GKSDYHFCSGIUQY-QCLNCQLRSA-N 0 2 413.499 3.684 40 30 HHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OCC ZINC000408882244 560650037 /nfs/dbraw/zinc/65/00/37/560650037.db2.gz LYMBIIRJDQIBPM-JXAWBTAJSA-N 0 2 420.465 3.879 40 30 HHEBLN C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000408893494 560651105 /nfs/dbraw/zinc/65/11/05/560651105.db2.gz AULYHNNZWCCBLZ-CYVLTUHYSA-N 0 2 406.438 3.707 40 30 HHEBLN CCOCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000408961368 560658185 /nfs/dbraw/zinc/65/81/85/560658185.db2.gz BPVLIRDIMJGVFJ-JEFZPDFESA-N 0 2 413.455 3.941 40 30 HHEBLN CCc1n[nH]c(=S)n1N=Cc1cc(Br)cc(Br)c1O ZINC000005410306 560737691 /nfs/dbraw/zinc/73/76/91/560737691.db2.gz IUCJHFHWQCXAHG-LHHJGKSTSA-N 0 2 406.103 3.616 40 30 HHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957319 569051795 /nfs/dbraw/zinc/05/17/95/569051795.db2.gz UXEFXOSZOLNZBV-LHRGGJGOSA-N 0 2 409.511 3.826 40 30 HHEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957319 569051796 /nfs/dbraw/zinc/05/17/96/569051796.db2.gz UXEFXOSZOLNZBV-LHRGGJGOSA-N 0 2 409.511 3.826 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C ZINC000408535293 557330745 /nfs/dbraw/zinc/33/07/45/557330745.db2.gz NLXFQGNGWOOOSX-MRXNPFEDSA-N 0 2 403.360 3.924 40 30 HHEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O ZINC000408536549 557341017 /nfs/dbraw/zinc/34/10/17/557341017.db2.gz RXMHRMGLGJSQSV-NSHDSACASA-N 0 2 406.225 3.604 40 30 HHEBLN Cc1ccc(NC(=O)CC2SC(=NN=Cc3ccc([N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000010489248 558258501 /nfs/dbraw/zinc/25/85/01/558258501.db2.gz MXVDELRBRNOTIP-FRSZACSASA-N 0 2 415.431 3.595 40 30 HHEBLN Cc1ccc(NC(=O)C[C@@H]2SC(=NN=Cc3ccc([N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000010489248 558258506 /nfs/dbraw/zinc/25/85/06/558258506.db2.gz MXVDELRBRNOTIP-FRSZACSASA-N 0 2 415.431 3.595 40 30 HHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000020157673 558342411 /nfs/dbraw/zinc/34/24/11/558342411.db2.gz ICLJTRJHKJIZDW-PDYUXYPTSA-N 0 2 400.891 3.680 40 30 HHEBLN C/C(=N\N=C1/NC(=O)[C@H](CC(=O)Nc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000020157673 558342414 /nfs/dbraw/zinc/34/24/14/558342414.db2.gz ICLJTRJHKJIZDW-PDYUXYPTSA-N 0 2 400.891 3.680 40 30 HHEBLN C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408813826 560645011 /nfs/dbraw/zinc/64/50/11/560645011.db2.gz VFOAGBSETQNJCU-GXDHUFHOSA-N 0 2 415.232 3.672 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1CC=C ZINC000408847003 560646671 /nfs/dbraw/zinc/64/66/71/560646671.db2.gz LXCZJIZMFYLKBG-RCCKNPSSSA-N 0 2 414.461 3.710 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000409068843 560672654 /nfs/dbraw/zinc/67/26/54/560672654.db2.gz JFWLLLDSTJPPJB-XMHGGMMESA-N 0 2 420.465 3.879 40 30 HHEBLN N#C[C@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000014163246 560839445 /nfs/dbraw/zinc/83/94/45/560839445.db2.gz MLYLVYXHNZGNRZ-CABCVRRESA-N 0 2 409.243 3.564 40 30 HHEBLN N#CC1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000014163246 560839446 /nfs/dbraw/zinc/83/94/46/560839446.db2.gz MLYLVYXHNZGNRZ-CABCVRRESA-N 0 2 409.243 3.564 40 30 HHEBLN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000409022428 569386427 /nfs/dbraw/zinc/38/64/27/569386427.db2.gz NOTQHYBHRNIILN-WOJGMQOQSA-N 0 2 401.353 3.624 40 30 HHEBLN O=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1 ZINC000013147328 569389458 /nfs/dbraw/zinc/38/94/58/569389458.db2.gz BBXUUVYZDRJNCT-HLGQQVFSSA-N 0 2 417.918 3.683 40 30 HHEBLN O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1 ZINC000013147328 569389460 /nfs/dbraw/zinc/38/94/60/569389460.db2.gz BBXUUVYZDRJNCT-HLGQQVFSSA-N 0 2 417.918 3.683 40 30 HHEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccccc1Cl ZINC000408533256 557316625 /nfs/dbraw/zinc/31/66/25/557316625.db2.gz JRXBVFWXGQFXKQ-GFCCVEGCSA-N 0 2 409.751 3.960 40 30 HHEBLN CC(=O)OCC[C@@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O ZINC000009914738 557851383 /nfs/dbraw/zinc/85/13/83/557851383.db2.gz WGYDORQHYKEMHZ-QMFLXTPQSA-N 0 2 420.494 3.710 40 30 HHEBLN C/C(=N\N=C1/NC(=O)C(CC(=O)Nc2cccc(Cl)c2)S1)c1cccs1 ZINC000020157659 558342284 /nfs/dbraw/zinc/34/22/84/558342284.db2.gz GUFFURKPTPLUPK-YVJZOELXSA-N 0 2 406.920 3.742 40 30 HHEBLN C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S1)c1cccs1 ZINC000020157659 558342286 /nfs/dbraw/zinc/34/22/86/558342286.db2.gz GUFFURKPTPLUPK-YVJZOELXSA-N 0 2 406.920 3.742 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1CC=C ZINC000408785111 560641363 /nfs/dbraw/zinc/64/13/63/560641363.db2.gz YKJSIEGVWFEJEO-RCCKNPSSSA-N 0 2 414.461 3.710 40 30 HHEBLN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl ZINC000408876925 560649457 /nfs/dbraw/zinc/64/94/57/560649457.db2.gz OVEAJAYIBAAMIR-RAXLEYEMSA-N 0 2 400.793 3.710 40 30 HHEBLN CCc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)N2C)cc1 ZINC000101650701 569015170 /nfs/dbraw/zinc/01/51/70/569015170.db2.gz BXLDYYYTQNFDRS-SGRLSNSRSA-N 0 2 412.471 3.747 40 30 HHEBLN CCOC(=O)Nc1cc(NC/C(=N/O)c2ccc3ccccc3c2)c([N+](=O)[O-])c(N)n1 ZINC000104236135 520995083 /nfs/dbraw/zinc/99/50/83/520995083.db2.gz JZAWZILKGUBVDZ-XYGWBWBKSA-N 0 2 424.417 3.584 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000408535226 557319285 /nfs/dbraw/zinc/31/92/85/557319285.db2.gz NGZQVOCXVUAULC-HNNXBMFYSA-N 0 2 403.360 3.924 40 30 HHEBLN CCOc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408536483 557340412 /nfs/dbraw/zinc/34/04/12/557340412.db2.gz ROYMAJXIVVQWRS-MRXNPFEDSA-N 0 2 419.359 3.706 40 30 HHEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)s1 ZINC000223233634 559114276 /nfs/dbraw/zinc/11/42/76/559114276.db2.gz WPHKNLBSUXGADM-UHFFFAOYSA-N 0 2 412.345 3.932 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408805750 560643431 /nfs/dbraw/zinc/64/34/31/560643431.db2.gz LHLTVDRZONJQKH-GZTJUZNOSA-N 0 2 412.829 3.580 40 30 HHEBLN C=CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408882909 560649991 /nfs/dbraw/zinc/64/99/91/560649991.db2.gz PKSVCXPHEGNXKP-KAMYIIQDSA-N 0 2 400.793 3.710 40 30 HHEBLN C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000059135294 568701205 /nfs/dbraw/zinc/70/12/05/568701205.db2.gz STQDOFBVTDSCSO-SFQUDFHCSA-N 0 2 408.385 3.743 40 30 HHEBLN C=CCn1c(C)c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000015012480 569004256 /nfs/dbraw/zinc/00/42/56/569004256.db2.gz ICWLXBFIXMKWCM-UYRXBGFRSA-N 0 2 403.413 3.941 40 30 HHEBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2sc3c(c2C#N)CCCC3)C1=O ZINC000408530750 569385802 /nfs/dbraw/zinc/38/58/02/569385802.db2.gz JNGBWWJDBWCMMA-FOWTUZBSSA-N 0 2 420.494 3.640 40 30 HHEBLN CSc1cc(Cl)c(C)cc1S(=O)(=O)N=C(O)NNc1ccc(F)cc1 ZINC000001857849 557292399 /nfs/dbraw/zinc/29/23/99/557292399.db2.gz YVVCBZAPCGJEAE-UHFFFAOYSA-N 0 2 403.888 3.729 40 30 HHEBLN CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)ccc1OCC#N ZINC000136619496 559290304 /nfs/dbraw/zinc/29/03/04/559290304.db2.gz GKRVHCQBFVFXPT-RUBMNMQDSA-N 0 2 414.512 3.819 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408801437 560642489 /nfs/dbraw/zinc/64/24/89/560642489.db2.gz ARRQGJUYUXRVAZ-LDADJPATSA-N 0 2 406.438 3.543 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408801743 560642580 /nfs/dbraw/zinc/64/25/80/560642580.db2.gz BIJLCCUDIKTHNV-LFIBNONCSA-N 0 2 415.232 3.672 40 30 HHEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408903682 560652424 /nfs/dbraw/zinc/65/24/24/560652424.db2.gz WGSBJYGGIWNIRM-XSFVSMFZSA-N 0 2 414.392 3.657 40 30 HHEBLN O=C(CC1S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957322 569051805 /nfs/dbraw/zinc/05/18/05/569051805.db2.gz UXEFXOSZOLNZBV-VTHCQSLJSA-N 0 2 409.511 3.826 40 30 HHEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000004957322 569051806 /nfs/dbraw/zinc/05/18/06/569051806.db2.gz UXEFXOSZOLNZBV-VTHCQSLJSA-N 0 2 409.511 3.826 40 30 HHEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408531979 557309496 /nfs/dbraw/zinc/30/94/96/557309496.db2.gz HRZBNIBXWKLHQA-AWEZNQCLSA-N 0 2 409.751 3.960 40 30 HHEBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408535377 557331889 /nfs/dbraw/zinc/33/18/89/557331889.db2.gz NVSLHEZKLACIJQ-OAHLLOKOSA-N 0 2 414.259 3.613 40 30 HHEBLN COc1cccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)c1 ZINC000020220345 558348940 /nfs/dbraw/zinc/34/89/40/558348940.db2.gz CSUYPNOVDIGXDX-VFOOBRQFSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)c1 ZINC000020220345 558348942 /nfs/dbraw/zinc/34/89/42/558348942.db2.gz CSUYPNOVDIGXDX-VFOOBRQFSA-N 0 2 403.891 3.939 40 30 HHEBLN CCOc1ccc(NC(=O)CC2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102408137 559150239 /nfs/dbraw/zinc/15/02/39/559150239.db2.gz YBFLBGOQWRORIN-DVCONVQISA-N 0 2 401.463 3.815 40 30 HHEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1 ZINC000102408137 559150240 /nfs/dbraw/zinc/15/02/40/559150240.db2.gz YBFLBGOQWRORIN-DVCONVQISA-N 0 2 401.463 3.815 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000408800051 560642201 /nfs/dbraw/zinc/64/22/01/560642201.db2.gz JSNSARYJQMQPRA-LFIBNONCSA-N 0 2 412.829 3.580 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408801332 560642487 /nfs/dbraw/zinc/64/24/87/560642487.db2.gz VGLBVCHLUVMIFX-LDADJPATSA-N 0 2 406.438 3.543 40 30 HHEBLN COCCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 ZINC000408963022 560658639 /nfs/dbraw/zinc/65/86/39/560658639.db2.gz LLIWLVGYGFVUBH-JEFZPDFESA-N 0 2 413.455 3.941 40 30 HHEBLN O=[N+]([O-])c1cccnc1N=NCc1cc(Br)c(O)c(Br)c1 ZINC000409066084 560672297 /nfs/dbraw/zinc/67/22/97/560672297.db2.gz AKJAYTTZWJWDNN-OMCISZLKSA-N 0 2 416.029 3.666 40 30 HHEBLN COc1ccc(-c2nc(SCC(=O)Nc3c(C)cccc3C)[nH]c(=O)c2C#N)cc1 ZINC000027027471 964756747 /nfs/dbraw/zinc/75/67/47/964756747.db2.gz FPZMMAHUOZVPMR-UHFFFAOYSA-N 0 2 420.494 3.665 40 30 HHEBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC#N)c4ccccc34)C2=O)cc1Cl ZINC000009265017 557834037 /nfs/dbraw/zinc/83/40/37/557834037.db2.gz ZSQYNKMPHUUVPL-YVLHZVERSA-N 0 2 418.840 3.793 40 30 HHEBLN Cc1ccc(/N=C2\S[C@@H](CC(=O)NCCc3ccccc3)C(=O)N2C)cc1Cl ZINC000020395242 558359960 /nfs/dbraw/zinc/35/99/60/558359960.db2.gz CERMMXTZDZLKAU-YQMDHOPXSA-N 0 2 415.946 3.959 40 30 HHEBLN O=C(CSc1nnc(N=[NH+]C2CCCC2)[n-]1)Nc1ccc(Br)cc1 ZINC000020478434 558374772 /nfs/dbraw/zinc/37/47/72/558374772.db2.gz UCLWHMZYMLRHKL-UHFFFAOYSA-N 0 2 409.313 3.640 40 30 HHEBLN O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000016401459 558790104 /nfs/dbraw/zinc/79/01/04/558790104.db2.gz RXIWNDAPFKQIIO-RGVLZGJSSA-N 0 2 420.263 3.646 40 30 HHEBLN O=C(C[C@@H]1SC(=NN=Cc2ccccc2)NC1=O)c1ccc(Br)cc1 ZINC000016805937 558807543 /nfs/dbraw/zinc/80/75/43/558807543.db2.gz HIPMJQREDWBCSU-YODDIOPGSA-N 0 2 416.300 3.644 40 30 HHEBLN O=C(CC1SC(=NN=Cc2ccccc2)NC1=O)c1ccc(Br)cc1 ZINC000016805937 558807544 /nfs/dbraw/zinc/80/75/44/558807544.db2.gz HIPMJQREDWBCSU-YODDIOPGSA-N 0 2 416.300 3.644 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000408807429 560642738 /nfs/dbraw/zinc/64/27/38/560642738.db2.gz CVQOSWBNFRHLGS-JLHYYAGUSA-N 0 2 415.232 3.672 40 30 HHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(Br)ccc3O)SC2=N)s1 ZINC000137702744 569363123 /nfs/dbraw/zinc/36/31/23/569363123.db2.gz PTIFXXMLBZPZSX-FMCCDNIHSA-N 0 2 410.318 3.986 40 30 HHEBLN O=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1 ZINC000013147329 569389462 /nfs/dbraw/zinc/38/94/62/569389462.db2.gz BBXUUVYZDRJNCT-DVCONVQISA-N 0 2 417.918 3.683 40 30 HHEBLN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1 ZINC000013147329 569389464 /nfs/dbraw/zinc/38/94/64/569389464.db2.gz BBXUUVYZDRJNCT-DVCONVQISA-N 0 2 417.918 3.683 40 30 HHEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1=O ZINC000408532614 557314589 /nfs/dbraw/zinc/31/45/89/557314589.db2.gz INFSLRXAMMDOFY-ZDUSSCGKSA-N 0 2 406.225 3.604 40 30 HHEBLN COc1ccc2nc3ccccc3nc2c1NC(O)=NS(=O)(=O)c1ccc(C)cc1 ZINC000081217754 559032087 /nfs/dbraw/zinc/03/20/87/559032087.db2.gz WLZJIAJDQDZCAD-UHFFFAOYSA-N 0 2 422.466 3.815 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000408802235 560642818 /nfs/dbraw/zinc/64/28/18/560642818.db2.gz XTYCGDAMPSDONJ-QGOAFFKASA-N 0 2 420.465 3.933 40 30 HHEBLN COc1cc(/C=[NH+]\C2CCCCC2)cc(I)c1OCC(=O)[O-] ZINC000408904191 560651694 /nfs/dbraw/zinc/65/16/94/560651694.db2.gz GEQPZSFIUWGEOH-NVMNQCDNSA-N 0 2 417.243 3.515 40 30 HHEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OC ZINC000016161642 569005274 /nfs/dbraw/zinc/00/52/74/569005274.db2.gz YBCXBQHCYBZKLC-CPNJWEJPSA-N 0 2 420.465 3.661 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000408532616 557314613 /nfs/dbraw/zinc/31/46/13/557314613.db2.gz INHOKKWLXCLXBU-AWEZNQCLSA-N 0 2 420.650 3.704 40 30 HHEBLN N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc21 ZINC000019961527 558315829 /nfs/dbraw/zinc/31/58/29/558315829.db2.gz KAAOMGARMCRBBW-RBUKOAKNSA-N 0 2 407.433 3.890 40 30 HHEBLN N#CC1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc21 ZINC000019961527 558315833 /nfs/dbraw/zinc/31/58/33/558315833.db2.gz KAAOMGARMCRBBW-RBUKOAKNSA-N 0 2 407.433 3.890 40 30 HHEBLN COc1ccc(NC(=O)CC2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000101662056 559147566 /nfs/dbraw/zinc/14/75/66/559147566.db2.gz HPKAVABYTZPGCE-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3cccc(Cl)c3)N(C)C2=O)cc1 ZINC000101662056 559147568 /nfs/dbraw/zinc/14/75/68/559147568.db2.gz HPKAVABYTZPGCE-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408798520 560642044 /nfs/dbraw/zinc/64/20/44/560642044.db2.gz JBDVCFARAKDXFG-XNTDXEJSSA-N 0 2 415.232 3.672 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000408809572 560643895 /nfs/dbraw/zinc/64/38/95/560643895.db2.gz OIFSIFNWGBKVPH-QGOAFFKASA-N 0 2 420.465 3.933 40 30 HHEBLN C#CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408877219 560649470 /nfs/dbraw/zinc/64/94/70/560649470.db2.gz QTNPHLBTQPTJQH-JXAWBTAJSA-N 0 2 414.392 3.657 40 30 HHEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1 ZINC000408898308 560651687 /nfs/dbraw/zinc/65/16/87/560651687.db2.gz KUHUBRWWSLFFQF-PGMHBOJBSA-N 0 2 418.449 3.544 40 30 HHEBLN COc1ccc(Cl)cc1/N=C1/SC(CC(=O)Nc2ccccc2)C(=O)N1C ZINC000012416981 560780559 /nfs/dbraw/zinc/78/05/59/560780559.db2.gz QEUOFRDIZLNYAM-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C ZINC000012416981 560780561 /nfs/dbraw/zinc/78/05/61/560780561.db2.gz QEUOFRDIZLNYAM-UFIXSJTLSA-N 0 2 403.891 3.939 40 30 HHEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408531982 557309453 /nfs/dbraw/zinc/30/94/53/557309453.db2.gz HRZBNIBXWKLHQA-CQSZACIVSA-N 0 2 409.751 3.960 40 30 HHEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O ZINC000408536548 557341053 /nfs/dbraw/zinc/34/10/53/557341053.db2.gz RXMHRMGLGJSQSV-LLVKDONJSA-N 0 2 406.225 3.604 40 30 HHEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1CC=C ZINC000408772130 560639173 /nfs/dbraw/zinc/63/91/73/560639173.db2.gz DFJGCLNRENZVTI-HMMYKYKNSA-N 0 2 402.450 3.955 40 30 HHEBLN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000409038643 560668612 /nfs/dbraw/zinc/66/86/12/560668612.db2.gz AKGNPKDNVYRYKB-XNTDXEJSSA-N 0 2 415.232 3.672 40 30 HHEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409072962 560673613 /nfs/dbraw/zinc/67/36/13/560673613.db2.gz FNYGGRVIXVCCDJ-XMHGGMMESA-N 0 2 418.449 3.655 40 30 HHEBLN N#C[C@@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000014163254 560839408 /nfs/dbraw/zinc/83/94/08/560839408.db2.gz MLYLVYXHNZGNRZ-GJZGRUSLSA-N 0 2 409.243 3.564 40 30 HHEBLN N#CC1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000014163254 560839409 /nfs/dbraw/zinc/83/94/09/560839409.db2.gz MLYLVYXHNZGNRZ-GJZGRUSLSA-N 0 2 409.243 3.564 40 30 HHEBLN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408742239 569386300 /nfs/dbraw/zinc/38/63/00/569386300.db2.gz VNNIMWQOGAVJDA-HYARGMPZSA-N 0 2 423.428 3.804 40 30 HHEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000408529070 557294340 /nfs/dbraw/zinc/29/43/40/557294340.db2.gz BZBFFXSRJAZWIK-OAHLLOKOSA-N 0 2 414.259 3.667 40 30 HHEBLN O=c1c2c3c(sc2ncn1/N=C/c1c(O)c([N+](=O)[O-])cc2ccccc21)CCCC3 ZINC000408733469 557797731 /nfs/dbraw/zinc/79/77/31/557797731.db2.gz YABUZSZLOKODGJ-AUEPDCJTSA-N 0 2 420.450 3.986 40 30 HHEBLN O=[N+]([O-])c1ccc(N=NCc2cc(Br)c(O)c(Br)c2)nc1 ZINC000408750542 557812331 /nfs/dbraw/zinc/81/23/31/557812331.db2.gz OQIZIWBMLGVDQP-BNCCVWRVSA-N 0 2 416.029 3.666 40 30 HHEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408808679 560643758 /nfs/dbraw/zinc/64/37/58/560643758.db2.gz QTYRWLVFFIAJKC-RVDMUPIBSA-N 0 2 412.829 3.580 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408874016 560649212 /nfs/dbraw/zinc/64/92/12/560649212.db2.gz YPMIIGFNSXOIOA-LGMDPLHJSA-N 0 2 408.841 3.581 40 30 HHEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OC ZINC000059104705 568700645 /nfs/dbraw/zinc/70/06/45/568700645.db2.gz VDENGJMIRWCHQI-MHWRWJLKSA-N 0 2 406.394 3.659 40 30 HHEBLN CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003123888 568856986 /nfs/dbraw/zinc/85/69/86/568856986.db2.gz ZXKHBXPQXJFMSB-HKWRFOASSA-N 0 2 401.271 3.756 40 30 HHEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408529915 557292049 /nfs/dbraw/zinc/29/20/49/557292049.db2.gz DKKGRKDMINPAPI-CQSZACIVSA-N 0 2 409.751 3.960 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000408537261 557338235 /nfs/dbraw/zinc/33/82/35/557338235.db2.gz UUQLBTHVRRUACN-CQSZACIVSA-N 0 2 420.650 3.704 40 30 HHEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000408537864 557350283 /nfs/dbraw/zinc/35/02/83/557350283.db2.gz XUFZOKFGJJNUNP-ZDUSSCGKSA-N 0 2 406.225 3.604 40 30 HHEBLN C[C@@H](CCC[C@H](C)OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1 ZINC000104184957 559158796 /nfs/dbraw/zinc/15/87/96/559158796.db2.gz LBNFNRQHFFCJDC-IRXDYDNUSA-N 0 2 412.529 3.745 40 30 HHEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1 ZINC000059245292 520858853 /nfs/dbraw/zinc/85/88/53/520858853.db2.gz WFHIJAOHQQGBIP-MBOBHEEDSA-N 0 2 401.463 3.815 40 30 HHEBLN COc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3Cl)C(=O)N2C)cc1 ZINC000096703688 523467509 /nfs/dbraw/zinc/46/75/09/523467509.db2.gz IQWNBVLUSNLLMA-YGCDDZCOSA-N 0 2 403.891 3.939 40 30 HHEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408530441 557298922 /nfs/dbraw/zinc/29/89/22/557298922.db2.gz FJPKELGKUHJKAS-CQSZACIVSA-N 0 2 420.650 3.704 40 30 HHEBLN Cc1ccc(NC(=O)CC2SC(=NN=Cc3ccc([N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000010489247 558258542 /nfs/dbraw/zinc/25/85/42/558258542.db2.gz MXVDELRBRNOTIP-MRGVZLDZSA-N 0 2 415.431 3.595 40 30 HHEBLN Cc1ccc(NC(=O)C[C@H]2SC(=NN=Cc3ccc([N+](=O)[O-])o3)NC2=O)c(C)c1 ZINC000010489247 558258544 /nfs/dbraw/zinc/25/85/44/558258544.db2.gz MXVDELRBRNOTIP-MRGVZLDZSA-N 0 2 415.431 3.595 40 30 HHEBLN CCOC(=O)Nc1cc(NC/C(=N\O)c2ccc3ccccc3c2)c([N+](=O)[O-])c(N)n1 ZINC000016941275 558809522 /nfs/dbraw/zinc/80/95/22/558809522.db2.gz JZAWZILKGUBVDZ-PCLIKHOPSA-N 0 2 424.417 3.584 40 30 HHEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccccc3OC)C(=O)N2C)cc1 ZINC000059245299 558932663 /nfs/dbraw/zinc/93/26/63/558932663.db2.gz NFWPJVRILNIALQ-VEGAHXMMSA-N 0 2 413.499 3.684 40 30 HHEBLN CCc1nnc(C2=C(O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=N)s1 ZINC000136806059 559290442 /nfs/dbraw/zinc/29/04/42/559290442.db2.gz LHXVVHYIISGCAL-XSEWGKRKSA-N 0 2 405.501 3.544 40 30 HHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2NS(=O)(=O)Cc2ccccc2)c1 ZINC000005598884 557664624 /nfs/dbraw/zinc/66/46/24/557664624.db2.gz QGGFZTZVQXDLBH-FYJGNVAPSA-N 0 2 411.439 3.993 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408806995 560642699 /nfs/dbraw/zinc/64/26/99/560642699.db2.gz JROUWFNEKNJARD-MHWRWJLKSA-N 0 2 415.232 3.672 40 30 HHEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408812854 560644269 /nfs/dbraw/zinc/64/42/69/560644269.db2.gz PSCWCEHFSRVLGU-SDNWHVSQSA-N 0 2 415.232 3.672 40 30 HHEBLN N#C[C@H]1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000014163250 560839450 /nfs/dbraw/zinc/83/94/50/560839450.db2.gz MLYLVYXHNZGNRZ-HUUCEWRRSA-N 0 2 409.243 3.564 40 30 HHEBLN N#CC1C(=O)Nc2[nH]n(-c3ccccc3)c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000014163250 560839451 /nfs/dbraw/zinc/83/94/51/560839451.db2.gz MLYLVYXHNZGNRZ-HUUCEWRRSA-N 0 2 409.243 3.564 40 30 HHEBLN