smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(#CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2ccccc21 ZINC000022023046 518368094 /nfs/dbraw/zinc/36/80/94/518368094.db2.gz CCUWNECASTXMEV-UHFFFAOYSA-N 0 1 420.560 4.447 50 30 HIEAMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)n1 ZINC000048333347 524277865 /nfs/dbraw/zinc/27/78/65/524277865.db2.gz YUUCOVIMDFRMRM-SFHVURJKSA-N 0 1 403.442 4.033 50 30 HIEAMN N#CC(c1nc2ccccc2nc1NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000032765211 526510698 /nfs/dbraw/zinc/51/06/98/526510698.db2.gz SNXTWYBXTJIJAP-LJQANCHMSA-N 0 1 410.474 4.162 50 30 HIEAMN CN(C)c1ccc(/C=N/NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001041745 557153759 /nfs/dbraw/zinc/15/37/59/557153759.db2.gz UCCQBANUNRSJGL-DJKKODMXSA-N 0 1 406.722 4.025 50 30 HIEAMN COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S2)cc1 ZINC000001218479 557247483 /nfs/dbraw/zinc/24/74/83/557247483.db2.gz KYXWGMOYNPJYMB-PPAWOMOGSA-N 0 1 408.310 4.166 50 30 HIEAMN C/C(=N/N=C1\NC(=O)C(Cc2ccc(Br)cc2)S1)c1ccccc1 ZINC000005047977 557629732 /nfs/dbraw/zinc/62/97/32/557629732.db2.gz TZBFKCQJZQMBGZ-IXGURIBZSA-N 0 1 402.317 4.003 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)s1 ZINC000006460045 557703564 /nfs/dbraw/zinc/70/35/64/557703564.db2.gz DLBXTRPLFPABMA-INIZCTEOSA-N 0 1 423.475 4.437 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)s1 ZINC000005800694 557796437 /nfs/dbraw/zinc/79/64/37/557796437.db2.gz JEQUSEKGDKYUOT-QGZVFWFLSA-N 0 1 409.442 4.077 50 30 HIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008738849 557803434 /nfs/dbraw/zinc/80/34/34/557803434.db2.gz ZJEQYAGIHWSUAS-HXUWFJFHSA-N 0 1 420.490 4.320 50 30 HIEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(Br)c2)c1 ZINC000009013639 557819493 /nfs/dbraw/zinc/81/94/93/557819493.db2.gz NJGNGDZHGBOPLI-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000013162921 558524491 /nfs/dbraw/zinc/52/44/91/558524491.db2.gz PLGIFTQLWILHGZ-QFIPXVFZSA-N 0 1 423.509 4.336 50 30 HIEAMN CN(C)c1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000016713108 558801874 /nfs/dbraw/zinc/80/18/74/558801874.db2.gz VZXDTSOMVXRVOU-CBVHTYNASA-N 0 1 421.353 4.224 50 30 HIEAMN COC(=O)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000017201396 558825655 /nfs/dbraw/zinc/82/56/55/558825655.db2.gz AKEMZTCLVWDOLC-IMRQLAEWSA-N 0 1 411.505 4.195 50 30 HIEAMN CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 ZINC000019594632 558945443 /nfs/dbraw/zinc/94/54/43/558945443.db2.gz PLMQYDWZLJNLDN-LFVJCYFKSA-N 0 1 400.954 4.044 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O ZINC000004973883 559221409 /nfs/dbraw/zinc/22/14/09/559221409.db2.gz REIHISXJZNQQOH-KVDJPTQJSA-N 0 1 415.490 4.087 50 30 HIEAMN CC(=[NH+]Cc1ccco1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100580166 559236802 /nfs/dbraw/zinc/23/68/02/559236802.db2.gz MVFTWOHRPFEGJS-LSHDLFTRSA-N 0 1 406.389 4.396 50 30 HIEAMN COc1ccc([C@@H]2C(C(C)=O)C(Nc3ccccc3)=C[C@@](C)(O)[C@H]2C(C)=O)cc1OC ZINC000000864374 559292246 /nfs/dbraw/zinc/29/22/46/559292246.db2.gz UKYUDHVJWJPQCG-DSNGMDLFSA-N 0 1 423.509 4.103 50 30 HIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@H]12 ZINC000061997011 560568846 /nfs/dbraw/zinc/56/88/46/560568846.db2.gz FZFNSVTYWBAPRB-VPQQHZGJSA-N 0 1 412.549 4.262 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000017246565 560704754 /nfs/dbraw/zinc/70/47/54/560704754.db2.gz PLGIFTQLWILHGZ-JOCHJYFZSA-N 0 1 423.509 4.336 50 30 HIEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102579053 560816834 /nfs/dbraw/zinc/81/68/34/560816834.db2.gz FVUALOSPKKEIAI-AYWGPLOBSA-N 0 1 413.473 4.360 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804399 560826932 /nfs/dbraw/zinc/82/69/32/560826932.db2.gz DGCUMNFNVJEZKO-WOOAAIBNSA-N 0 1 424.840 4.271 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)no1 ZINC000102804810 560826961 /nfs/dbraw/zinc/82/69/61/560826961.db2.gz OBZCHXSCNGSONE-YDJIHCHBSA-N 0 1 418.380 4.495 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102801057 560828485 /nfs/dbraw/zinc/82/84/85/560828485.db2.gz BAIPLELPHDEKAP-JBCNATCCSA-N 0 1 414.417 4.217 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000104196561 560849636 /nfs/dbraw/zinc/84/96/36/560849636.db2.gz XRFSUHSKVOYZOG-UYTDBDHRSA-N 0 1 411.870 4.126 50 30 HIEAMN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000046141273 568429684 /nfs/dbraw/zinc/42/96/84/568429684.db2.gz SVWMTQYCSLZTPW-UHFFFAOYSA-N 0 1 422.491 4.446 50 30 HIEAMN COc1ccc(-c2nc(SCCCOc3ccc(C)c(C)c3)[nH]c(=O)c2C#N)cc1 ZINC000025593301 568823084 /nfs/dbraw/zinc/82/30/84/568823084.db2.gz AWQYXQCPPXAQCV-UHFFFAOYSA-N 0 1 421.522 4.495 50 30 HIEAMN N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012733636 568924000 /nfs/dbraw/zinc/92/40/00/568924000.db2.gz LGDRGUXJSSIXAI-UHFFFAOYSA-N 0 1 411.889 4.324 50 30 HIEAMN O=C(NC[C@H]1CCCN(CC#Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000012200346 568994091 /nfs/dbraw/zinc/99/40/91/568994091.db2.gz ATZDFBVBULQFGE-LJQANCHMSA-N 0 1 400.444 4.199 50 30 HIEAMN Cc1c([C@H](C)NCc2ccc(C#CC(C)(C)O)cc2)cnn1-c1ccc(F)cc1F ZINC000012304386 568994290 /nfs/dbraw/zinc/99/42/90/568994290.db2.gz ZDSCLRAASUFABP-INIZCTEOSA-N 0 1 409.480 4.432 50 30 HIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000009462429 569039119 /nfs/dbraw/zinc/03/91/19/569039119.db2.gz XCJDRUCUKNLLSV-LJQANCHMSA-N 0 1 424.840 4.428 50 30 HIEAMN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000016427889 569050387 /nfs/dbraw/zinc/05/03/87/569050387.db2.gz QMXBGGXVGBNEPK-FRKPEAEDSA-N 0 1 415.041 4.271 50 30 HIEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)C1 ZINC000239274801 569054075 /nfs/dbraw/zinc/05/40/75/569054075.db2.gz ASAOGVYYVSTGTP-LMMKCTJWSA-N 0 1 405.546 4.168 50 30 HIEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1)c1ccc(Cl)cc1 ZINC000005595909 569071982 /nfs/dbraw/zinc/07/19/82/569071982.db2.gz YXQNBXXFMQJFPV-IBGZPJMESA-N 0 1 409.825 4.417 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F ZINC000006813681 569136954 /nfs/dbraw/zinc/13/69/54/569136954.db2.gz OSJQPTAIBQRBOX-DNVCBOLYSA-N 0 1 415.848 4.236 50 30 HIEAMN Cc1ccc(N=C2CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000013139102 569211591 /nfs/dbraw/zinc/21/15/91/569211591.db2.gz XYTTUUGZACDZAR-PTGBLXJZSA-N 0 1 408.504 4.427 50 30 aggregator HIEAMN N#CCCN(C(=O)CSc1nc(C=Cc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000012834808 569403946 /nfs/dbraw/zinc/40/39/46/569403946.db2.gz LYIBNBBSOOFKOO-KPKJPENVSA-N 0 1 407.474 4.153 50 30 HIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008895210 571143368 /nfs/dbraw/zinc/14/33/68/571143368.db2.gz XILJYHKRFZNECB-IBGZPJMESA-N 0 1 422.462 4.392 50 30 HIEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009210643 571236856 /nfs/dbraw/zinc/23/68/56/571236856.db2.gz MDQNTWSPJZSOSR-MGPUTAFESA-N 0 1 424.501 4.044 50 30 HIEAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000010514766 571304136 /nfs/dbraw/zinc/30/41/36/571304136.db2.gz CIHDYPWFNZPUIP-UHFFFAOYSA-N 0 1 415.696 4.174 50 30 HIEAMN COc1cc(OC)c(OC)cc1C=Nn1c(=S)[nH]nc1-c1cccc(Cl)c1 ZINC000254496230 854211730 /nfs/dbraw/zinc/21/17/30/854211730.db2.gz VNJHBBCEBYGTPJ-UHFFFAOYSA-N 0 1 404.879 4.169 50 30 HIEAMN C=CCOC[C@H](O)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840481 518996328 /nfs/dbraw/zinc/99/63/28/518996328.db2.gz PIEAHUXFFANFJS-RUZDIDTESA-N 0 1 408.517 4.241 50 30 HIEAMN CCC[C@@H](C)Nc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829263 520668238 /nfs/dbraw/zinc/66/82/38/520668238.db2.gz FGYVZIDPHMFQSJ-KUHUBIRLSA-N 0 1 412.490 4.408 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000051366891 523606902 /nfs/dbraw/zinc/60/69/02/523606902.db2.gz JQMMNYZAOBYFHP-KVDJPTQJSA-N 0 1 415.490 4.087 50 30 HIEAMN COc1ccc(OC)c(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000036066001 524799985 /nfs/dbraw/zinc/79/99/85/524799985.db2.gz MOACJKZREYOZJW-NSMHLIOHSA-N 0 1 409.482 4.400 50 30 HIEAMN Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000058147631 525515954 /nfs/dbraw/zinc/51/59/54/525515954.db2.gz LEYGRXUNPLBCHC-UHFFFAOYSA-N 0 1 402.208 4.087 50 30 HIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)c1 ZINC000004114993 557515628 /nfs/dbraw/zinc/51/56/28/557515628.db2.gz OKAULENVERXBAP-OAQYLSRUSA-N 0 1 409.482 4.009 50 30 HIEAMN COc1cc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000019773292 558280580 /nfs/dbraw/zinc/28/05/80/558280580.db2.gz FOJVZRUGENBDNE-YZSQISJMSA-N 0 1 419.525 4.017 50 30 HIEAMN COC(=O)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019850594 558295429 /nfs/dbraw/zinc/29/54/29/558295429.db2.gz AKEMZTCLVWDOLC-OVVQPSECSA-N 0 1 411.505 4.195 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000019898802 558304558 /nfs/dbraw/zinc/30/45/58/558304558.db2.gz WFUUSZOGXYJQBH-GOSISDBHSA-N 0 1 419.308 4.133 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 ZINC000013161755 558524554 /nfs/dbraw/zinc/52/45/54/558524554.db2.gz QCFVKESBIREDPN-FQEVSTJZSA-N 0 1 407.397 4.206 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 ZINC000016732448 558802364 /nfs/dbraw/zinc/80/23/64/558802364.db2.gz QFOYKUIBJIQMIW-IRLDBZIGSA-N 0 1 419.477 4.009 50 30 HIEAMN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000013654487 558851044 /nfs/dbraw/zinc/85/10/44/558851044.db2.gz PQNULEWZBCSFOT-ZOJNTWNKSA-N 0 1 421.493 4.273 50 30 HIEAMN C=C1N=C(SCc2ccccc2C#N)N[C@H](c2ccccc2OC)C1C(=O)OCC ZINC000098086307 559064779 /nfs/dbraw/zinc/06/47/79/559064779.db2.gz RWWWOVJNVDEFSY-OAQYLSRUSA-N 0 1 421.522 4.338 50 30 HIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000005045117 559236463 /nfs/dbraw/zinc/23/64/63/559236463.db2.gz NKHSNUGAZYYLQY-JOCHJYFZSA-N 0 1 421.493 4.175 50 30 HIEAMN Cc1ccc(CC2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1C ZINC000005546255 560607647 /nfs/dbraw/zinc/60/76/47/560607647.db2.gz IYLBJUCKKPNJMH-NNLCKWJRSA-N 0 1 418.522 4.368 50 30 HIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101314073 560791543 /nfs/dbraw/zinc/79/15/43/560791543.db2.gz QSGJJKRQODVVRY-WOOAAIBNSA-N 0 1 422.462 4.236 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102501829 560812649 /nfs/dbraw/zinc/81/26/49/560812649.db2.gz PSYISPPNXRBXBB-HOGKFDNTSA-N 0 1 423.509 4.277 50 30 HIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102504147 560812770 /nfs/dbraw/zinc/81/27/70/560812770.db2.gz WMANSRHNQFYKDJ-MRJHHRETSA-N 0 1 409.482 4.234 50 30 HIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000102702228 560820332 /nfs/dbraw/zinc/82/03/32/560820332.db2.gz MURBHCDFLGBRKF-LFVOPCPISA-N 0 1 424.840 4.271 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 ZINC000102803613 560826636 /nfs/dbraw/zinc/82/66/36/560826636.db2.gz QRUYNOVNMZSYRZ-GHNGSUTGSA-N 0 1 406.419 4.417 50 30 HIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102804207 560826835 /nfs/dbraw/zinc/82/68/35/560826835.db2.gz ROBHNEYCHKOJPO-HOGKFDNTSA-N 0 1 423.509 4.024 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)no1 ZINC000102799323 560828166 /nfs/dbraw/zinc/82/81/66/560828166.db2.gz OTXVYHTVVXLLTK-YDJIHCHBSA-N 0 1 418.380 4.495 50 30 HIEAMN COc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000012192138 560891528 /nfs/dbraw/zinc/89/15/28/560891528.db2.gz PLXYNRAXHIJMSD-CNPYVQQSSA-N 0 1 421.494 4.174 50 30 HIEAMN COc1ccc(/C(C)=N\N=C2/NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000009363678 568415608 /nfs/dbraw/zinc/41/56/08/568415608.db2.gz PFJDADSLLGBQOU-VXHGTMSESA-N 0 1 421.444 4.268 50 30 HIEAMN Cc1ccc(C(=O)N2CC[C@@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)s1 ZINC000096309964 568674189 /nfs/dbraw/zinc/67/41/89/568674189.db2.gz UTDFIGLHZGQSDV-QHCPKHFHSA-N 0 1 417.538 4.173 50 30 HIEAMN COC(=O)[C@H]1C(=O)CC(=Nc2sc3c(c2C#N)CCCC3)C[C@H]1c1ccccc1 ZINC000001079982 568767447 /nfs/dbraw/zinc/76/74/47/568767447.db2.gz GIAFOBGYEXCECD-LAUBAEHRSA-N 0 1 406.507 4.340 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 ZINC000005847402 568825721 /nfs/dbraw/zinc/82/57/21/568825721.db2.gz RGMVPNVBTGQDMB-NRFANRHFSA-N 0 1 416.433 4.018 50 30 HIEAMN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH2+]CC(=O)[O-] ZINC000004028941 568934260 /nfs/dbraw/zinc/93/42/60/568934260.db2.gz HDVCFXRYOTXWAY-LTLLVOOCSA-N 0 1 417.546 4.338 50 30 biogenic HIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004145253 568963423 /nfs/dbraw/zinc/96/34/23/568963423.db2.gz AHAPDGBSVPBDSR-GOSISDBHSA-N 0 1 400.519 4.344 50 30 HIEAMN Cc1c([C@@H](C)NCc2ccc(C#Cc3cncnc3)cc2)cnn1-c1cccc(F)c1 ZINC000012091075 568993002 /nfs/dbraw/zinc/99/30/02/568993002.db2.gz SJDLZLFMWIGTAJ-GOSISDBHSA-N 0 1 411.484 4.360 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000006786783 569121872 /nfs/dbraw/zinc/12/18/72/569121872.db2.gz YKDIIOPGLDFYDA-NRFANRHFSA-N 0 1 419.433 4.075 50 30 HIEAMN Cc1cccc(NC(=O)C(=NNc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 ZINC000252598773 569296622 /nfs/dbraw/zinc/29/66/22/569296622.db2.gz DDTAVQMIIPRWJN-UHFFFAOYSA-N 0 1 401.422 4.013 50 30 HIEAMN Cc1cc(C)nc(NC(=NC(=O)NC2CCCCC2)NCc2ccc(Cl)cc2)n1 ZINC000002277084 569327846 /nfs/dbraw/zinc/32/78/46/569327846.db2.gz HIWMZPNPNDXAMP-UHFFFAOYSA-N 0 1 414.941 4.156 50 30 HIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008895208 571143456 /nfs/dbraw/zinc/14/34/56/571143456.db2.gz XILJYHKRFZNECB-LJQANCHMSA-N 0 1 422.462 4.392 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009272840 571244497 /nfs/dbraw/zinc/24/44/97/571244497.db2.gz CWAZOYCPMKGXHG-FQEVSTJZSA-N 0 1 418.405 4.275 50 30 HIEAMN COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1CN1CCCC1 ZINC000007586720 845368316 /nfs/dbraw/zinc/36/83/16/845368316.db2.gz HXYWZDGJGHSOSV-UXBLZVDNSA-N 0 1 406.526 4.024 50 30 HIEAMN COc1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1CN1CCCC1 ZINC000096765873 852555077 /nfs/dbraw/zinc/55/50/77/852555077.db2.gz HXYWZDGJGHSOSV-POHAHGRESA-N 0 1 406.526 4.024 50 30 HIEAMN CC(C)CNc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828798 519749829 /nfs/dbraw/zinc/74/98/29/519749829.db2.gz KACYFWAQSXTGEK-SFHVURJKSA-N 0 1 414.918 4.390 50 30 HIEAMN CCCNc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828861 520189077 /nfs/dbraw/zinc/18/90/77/520189077.db2.gz IINQLKYOTPZVJP-QGZVFWFLSA-N 0 1 400.891 4.144 50 30 HIEAMN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cc([N+](=O)[O-])ccc1O ZINC000032523693 520257844 /nfs/dbraw/zinc/25/78/44/520257844.db2.gz JTUUCCVYIDSCRW-PZJWPPBQSA-N 0 1 416.433 4.343 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 ZINC000008914993 523565378 /nfs/dbraw/zinc/56/53/78/523565378.db2.gz CEPLLPHVXACQFL-NRFANRHFSA-N 0 1 418.424 4.008 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1F ZINC000026459153 523566570 /nfs/dbraw/zinc/56/65/70/523566570.db2.gz DGANLCUBGJSOLR-SFHVURJKSA-N 0 1 413.426 4.267 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)cc1F ZINC000026532856 526028531 /nfs/dbraw/zinc/02/85/31/526028531.db2.gz PULKZMIRYMFDPS-LJQANCHMSA-N 0 1 408.454 4.369 50 30 HIEAMN O=[N+]([O-])c1ccc(N=NCc2cc(Br)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000023411608 527359439 /nfs/dbraw/zinc/35/94/39/527359439.db2.gz RYMRQIIINFSERL-SOFYXZRVSA-N 0 1 415.587 4.071 50 30 HIEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005596041 557664349 /nfs/dbraw/zinc/66/43/49/557664349.db2.gz YPCGKWCFZOJWOM-KRWDZBQOSA-N 0 1 409.804 4.052 50 30 HIEAMN O=[N+]([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)cc1 ZINC000006059920 557685628 /nfs/dbraw/zinc/68/56/28/557685628.db2.gz TUCCQGDWQFOSKR-RQZCQDPDSA-N 0 1 404.249 4.161 50 30 HIEAMN C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002440850 557711933 /nfs/dbraw/zinc/71/19/33/557711933.db2.gz MDQNTWSPJZSOSR-QRWLVFNGSA-N 0 1 424.501 4.044 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000006812991 557724436 /nfs/dbraw/zinc/72/44/36/557724436.db2.gz ANZZPDCDQGPTDD-NRFANRHFSA-N 0 1 402.425 4.308 50 30 HIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2)cc1C ZINC000013208784 558525669 /nfs/dbraw/zinc/52/56/69/558525669.db2.gz MAHDMKNYWUHQLX-QFIPXVFZSA-N 0 1 423.509 4.399 50 30 HIEAMN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000013653578 558558364 /nfs/dbraw/zinc/55/83/64/558558364.db2.gz DAVAYDQMGPVISK-QZDMBBGESA-N 0 1 409.482 4.258 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCC)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016742393 558804195 /nfs/dbraw/zinc/80/41/95/558804195.db2.gz YDTPOVHKPPEPSK-OAQYLSRUSA-N 0 1 407.466 4.248 50 30 HIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000013653585 558850908 /nfs/dbraw/zinc/85/09/08/558850908.db2.gz CGJFEVFJSCQNMC-QZDMBBGESA-N 0 1 409.482 4.400 50 30 HIEAMN CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000004754375 559050916 /nfs/dbraw/zinc/05/09/16/559050916.db2.gz UIHUWLVNFSZAGV-LSCMLXDISA-N 0 1 423.538 4.151 50 30 HIEAMN Cc1cc(N(C)/N=C/c2cc(Br)ccc2O)nc(-c2ccccc2O)n1 ZINC000004697418 560610878 /nfs/dbraw/zinc/61/08/78/560610878.db2.gz GGFMMMJNYNLSFB-SRZZPIQSSA-N 0 1 413.275 4.096 50 30 HIEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102799193 560828195 /nfs/dbraw/zinc/82/81/95/560828195.db2.gz CSRLOLDGDZTGPH-JBCNATCCSA-N 0 1 409.482 4.403 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102875930 560830668 /nfs/dbraw/zinc/83/06/68/560830668.db2.gz JBSITHXZPKMWGY-NHFXJNLRSA-N 0 1 421.884 4.049 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102876792 560833382 /nfs/dbraw/zinc/83/33/82/560833382.db2.gz LPPAWBSGQKRXBI-YDJIHCHBSA-N 0 1 407.397 4.049 50 30 HIEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102886050 560834110 /nfs/dbraw/zinc/83/41/10/560834110.db2.gz CTLBMGMBDRSSHV-YDJIHCHBSA-N 0 1 422.437 4.381 50 30 HIEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102886050 560834112 /nfs/dbraw/zinc/83/41/12/560834112.db2.gz CTLBMGMBDRSSHV-YDJIHCHBSA-N 0 1 422.437 4.381 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102931972 560835606 /nfs/dbraw/zinc/83/56/06/560835606.db2.gz OXHIPGCTTURWAC-AYWGPLOBSA-N 0 1 413.473 4.360 50 30 HIEAMN O=C([O-])c1cccc(NC(=[NH+]Cc2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000046021835 568424125 /nfs/dbraw/zinc/42/41/25/568424125.db2.gz DTBWTKBVVQSSEW-UHFFFAOYSA-N 0 1 420.557 4.112 50 30 HIEAMN Cc1ccccc1C(=O)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309979 568724234 /nfs/dbraw/zinc/72/42/34/568724234.db2.gz PCAOUQOFXPXRIN-RUZDIDTESA-N 0 1 411.509 4.111 50 30 HIEAMN C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000002751023 568806530 /nfs/dbraw/zinc/80/65/30/568806530.db2.gz DGNRVGPZXZKQQS-GFCCVEGCSA-N 0 1 410.886 4.494 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 ZINC000005847409 568825638 /nfs/dbraw/zinc/82/56/38/568825638.db2.gz RGMVPNVBTGQDMB-OAQYLSRUSA-N 0 1 416.433 4.018 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1F ZINC000006025314 568835681 /nfs/dbraw/zinc/83/56/81/568835681.db2.gz MPXXBBAHXNFOIV-FQEVSTJZSA-N 0 1 407.397 4.211 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1F ZINC000016731074 568937307 /nfs/dbraw/zinc/93/73/07/568937307.db2.gz AXUQCVACFPAJMX-OAQYLSRUSA-N 0 1 418.424 4.013 50 30 HIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004145251 568963406 /nfs/dbraw/zinc/96/34/06/568963406.db2.gz AHAPDGBSVPBDSR-SFHVURJKSA-N 0 1 400.519 4.344 50 30 HIEAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)c1 ZINC000006146697 569014543 /nfs/dbraw/zinc/01/45/43/569014543.db2.gz ITAQDHLFDLECPT-UHFFFAOYSA-N 0 1 405.479 4.228 50 30 HIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000104189196 569050395 /nfs/dbraw/zinc/05/03/95/569050395.db2.gz LXUQGBJYDBENDX-SELCWUDQSA-N 0 1 423.469 4.427 50 30 HIEAMN CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c(O)c1 ZINC000244700907 569055117 /nfs/dbraw/zinc/05/51/17/569055117.db2.gz JWCCDHPEWDZONC-UHFFFAOYSA-N 0 1 400.954 4.044 50 30 HIEAMN O=[N+]([O-])c1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1 ZINC000006473820 569058184 /nfs/dbraw/zinc/05/81/84/569058184.db2.gz IZQJOMLNSLCKJZ-FYJGNVAPSA-N 0 1 416.401 4.306 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2OC)cc1 ZINC000006786575 569121413 /nfs/dbraw/zinc/12/14/13/569121413.db2.gz HJLSVEUZVMRVFT-NRFANRHFSA-N 0 1 419.433 4.075 50 30 HIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1 ZINC000017147655 569275737 /nfs/dbraw/zinc/27/57/37/569275737.db2.gz QTIXVPFSMICETH-OAQYLSRUSA-N 0 1 403.434 4.375 50 30 HIEAMN Oc1c(I)cc(Cl)cc1C=Nc1ccc2c(c1)OCCO2 ZINC000252598746 569296629 /nfs/dbraw/zinc/29/66/29/569296629.db2.gz DDBUDMKFGZEGBA-UHFFFAOYSA-N 0 1 415.614 4.172 50 30 HIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(OCC)cc1 ZINC000066091531 569314526 /nfs/dbraw/zinc/31/45/26/569314526.db2.gz YGZWJRJWARSQSN-NRFANRHFSA-N 0 1 409.482 4.090 50 30 HIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827568 571122552 /nfs/dbraw/zinc/12/25/52/571122552.db2.gz UDCQHKSPVXWESK-HXUWFJFHSA-N 0 1 422.437 4.456 50 30 HIEAMN COc1ccc(-c2nc(N(C)Cc3ccc(C(F)(F)F)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040122664 571178429 /nfs/dbraw/zinc/17/84/29/571178429.db2.gz IPWUMZPUEGIBSL-UHFFFAOYSA-N 0 1 414.387 4.385 50 30 HIEAMN C=C(C)Cn1nc(OCC)n(-c2sc3c(c2-c2nc[nH]n2)CC[C@H](C)C3)c1=S ZINC000001428865 518642295 /nfs/dbraw/zinc/64/22/95/518642295.db2.gz XGYCCAZBPUFAOM-LBPRGKRZSA-N 0 1 416.576 4.349 50 30 HIEAMN CCCCCNc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828650 520228394 /nfs/dbraw/zinc/22/83/94/520228394.db2.gz FRDRRYWOBDUAPG-LJQANCHMSA-N 0 1 412.490 4.410 50 30 HIEAMN CCCCN(C)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032682605 520439245 /nfs/dbraw/zinc/43/92/45/520439245.db2.gz KANBHARSQWPVEJ-LJQANCHMSA-N 0 1 412.490 4.044 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1F ZINC000026458922 523565205 /nfs/dbraw/zinc/56/52/05/523565205.db2.gz YUOSHBOVYMRKHX-FQEVSTJZSA-N 0 1 407.397 4.206 50 30 HIEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000001248725 557251490 /nfs/dbraw/zinc/25/14/90/557251490.db2.gz MSCRTPOHJCSEKE-PPAWOMOGSA-N 0 1 408.310 4.166 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 ZINC000005583904 557663383 /nfs/dbraw/zinc/66/33/83/557663383.db2.gz YBPCCROFNYOOMT-NRFANRHFSA-N 0 1 402.425 4.308 50 30 HIEAMN CN(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)cc1 ZINC000005695385 557669086 /nfs/dbraw/zinc/66/90/86/557669086.db2.gz UIRMRDGKBAXRJG-YBFXNURJSA-N 0 1 402.321 4.318 50 30 HIEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000006445157 557702619 /nfs/dbraw/zinc/70/26/19/557702619.db2.gz QSDXAVGBDSDYLS-FQEVSTJZSA-N 0 1 420.852 4.219 50 30 HIEAMN CC(=O)Oc1ccc(/C(C)=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019826060 558291065 /nfs/dbraw/zinc/29/10/65/558291065.db2.gz VFJDOAOXHRJGQU-LGUFXXKBSA-N 0 1 401.510 4.307 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000016742034 558804005 /nfs/dbraw/zinc/80/40/05/558804005.db2.gz FRJOQWYPEVGOHE-QFIPXVFZSA-N 0 1 418.493 4.082 50 30 HIEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000004860456 559192873 /nfs/dbraw/zinc/19/28/73/559192873.db2.gz PUUJKIWKEQOHGJ-GBESFXJTSA-N 0 1 407.562 4.416 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ZINC000102886054 560834035 /nfs/dbraw/zinc/83/40/35/560834035.db2.gz CTLBMGMBDRSSHV-NHFXJNLRSA-N 0 1 422.437 4.381 50 30 HIEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102886054 560834037 /nfs/dbraw/zinc/83/40/37/560834037.db2.gz CTLBMGMBDRSSHV-NHFXJNLRSA-N 0 1 422.437 4.381 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)no1 ZINC000005800482 568735271 /nfs/dbraw/zinc/73/52/71/568735271.db2.gz OPCCBMYTGITFOG-GOSISDBHSA-N 0 1 410.813 4.125 50 30 HIEAMN CCCCOc1ccccc1/C=N/N=C1/NC(=O)C(Cc2cccc(OC)c2)S1 ZINC000002670986 568800548 /nfs/dbraw/zinc/80/05/48/568800548.db2.gz KBSOEXZZTLVCTA-VRMLFSPKSA-N 0 1 411.527 4.038 50 30 HIEAMN C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000001144291 569006444 /nfs/dbraw/zinc/00/64/44/569006444.db2.gz DQZDYRJIJVFJEB-WOJGMQOQSA-N 0 1 412.873 4.227 50 30 HIEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 ZINC000006134343 569014210 /nfs/dbraw/zinc/01/42/10/569014210.db2.gz SYZPAHNAZRRPKG-FQEVSTJZSA-N 0 1 420.490 4.320 50 30 HIEAMN N#Cc1c(=O)[nH]c(SCC(=O)OCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000015859830 569015399 /nfs/dbraw/zinc/01/53/99/569015399.db2.gz ZYWGGFWWKKBDJY-UHFFFAOYSA-N 0 1 411.870 4.210 50 30 HIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000006499319 569061440 /nfs/dbraw/zinc/06/14/40/569061440.db2.gz WZWZTOFQORFDPZ-OAQYLSRUSA-N 0 1 419.433 4.075 50 30 HIEAMN C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1c1nc(-c2cccnc2)nc2ccccc21 ZINC000252572606 569294505 /nfs/dbraw/zinc/29/45/05/569294505.db2.gz ZMNDVRQLLJCYSE-IBGZPJMESA-N 0 1 420.520 4.274 50 30 HIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008743606 571110909 /nfs/dbraw/zinc/11/09/09/571110909.db2.gz NWTIDBJLCIGLBN-LJQANCHMSA-N 0 1 424.840 4.428 50 30 HIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827560 571122488 /nfs/dbraw/zinc/12/24/88/571122488.db2.gz YOIUGFHYRTXMDK-HXUWFJFHSA-N 0 1 420.421 4.232 50 30 HIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000008922549 571158881 /nfs/dbraw/zinc/15/88/81/571158881.db2.gz ZRULOLVUMIRUAB-SFHVURJKSA-N 0 1 424.453 4.388 50 30 HIEAMN CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000069846871 571247049 /nfs/dbraw/zinc/24/70/49/571247049.db2.gz LDYBGOZVVBOSIN-JOCHJYFZSA-N 0 1 400.542 4.272 50 30 HIEAMN Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009433795 571258569 /nfs/dbraw/zinc/25/85/69/571258569.db2.gz QHQYVHJQEQMMBW-HXUWFJFHSA-N 0 1 418.405 4.275 50 30 HIEAMN Cc1cc(=O)oc2c(/C=N/c3ccc(I)cc3)c(O)ccc12 ZINC000000726801 845001148 /nfs/dbraw/zinc/00/11/48/845001148.db2.gz BOABQVLYEXFVRT-DJKKODMXSA-N 0 1 405.191 4.162 50 30 HIEAMN C=CCOC[C@@H](O)CN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000035840484 518987785 /nfs/dbraw/zinc/98/77/85/518987785.db2.gz PIEAHUXFFANFJS-VWLOTQADSA-N 0 1 408.517 4.241 50 30 HIEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 ZINC000028286897 519088336 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1 417.446 4.376 50 30 HIEAMN Fc1ccc(OCc2ccc(C=Nn3c(=S)[nH]nc3C(F)(F)F)o2)cc1Cl ZINC000020617920 526357406 /nfs/dbraw/zinc/35/74/06/526357406.db2.gz BRJUDVIHCYFRLX-AERZKKPOSA-N 0 1 420.775 4.432 50 30 HIEAMN CN(C)c1nc(=NN=Cc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)[nH]1 ZINC000004199595 557528148 /nfs/dbraw/zinc/52/81/48/557528148.db2.gz REUVKMPCGZMDHP-FSJBWODESA-N 0 1 416.316 4.303 50 30 HIEAMN N=C(Cc1ccc(-c2csnn2)cc1)NOC(=O)c1cc(Cl)cc(Cl)c1 ZINC000004389551 557550654 /nfs/dbraw/zinc/55/06/54/557550654.db2.gz OVTDJXBKYGFFNE-UHFFFAOYSA-N 0 1 407.282 4.184 50 30 HIEAMN N=C(Nc1ccccc1)S[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000004530575 557564087 /nfs/dbraw/zinc/56/40/87/557564087.db2.gz XYIKBYPWWYURGB-AWEZNQCLSA-N 0 1 402.734 4.492 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000005818714 557676240 /nfs/dbraw/zinc/67/62/40/557676240.db2.gz AXCZJODIMQGIOX-MRXNPFEDSA-N 0 1 411.870 4.283 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000005818720 557676314 /nfs/dbraw/zinc/67/63/14/557676314.db2.gz AXCZJODIMQGIOX-INIZCTEOSA-N 0 1 411.870 4.283 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006781549 557720752 /nfs/dbraw/zinc/72/07/52/557720752.db2.gz RTAYVFRIVMCGHD-OAQYLSRUSA-N 0 1 423.509 4.217 50 30 HIEAMN CCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1OC ZINC000019791108 558282703 /nfs/dbraw/zinc/28/27/03/558282703.db2.gz SWNRWCZQJHABCK-NLRVBDNBSA-N 0 1 403.526 4.399 50 30 HIEAMN N#CCc1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000014200922 558636635 /nfs/dbraw/zinc/63/66/35/558636635.db2.gz FVZKVDRHTNVDGR-VGOFRKELSA-N 0 1 410.564 4.263 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 ZINC000016732440 558802440 /nfs/dbraw/zinc/80/24/40/558802440.db2.gz QFOYKUIBJIQMIW-RBBKRZOGSA-N 0 1 419.477 4.009 50 30 HIEAMN CC(C)Oc1ccc(/C=N/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000018209041 558833634 /nfs/dbraw/zinc/83/36/34/558833634.db2.gz XMKRYZLNENUSHN-YPKZHZFPSA-N 0 1 401.919 4.291 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C ZINC000013569446 558844454 /nfs/dbraw/zinc/84/44/54/558844454.db2.gz FBFOQXFDHJGAOE-FQEVSTJZSA-N 0 1 422.412 4.222 50 30 HIEAMN COCC[C@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000097095267 558991887 /nfs/dbraw/zinc/99/18/87/558991887.db2.gz JDSBJGYTIYDWDC-HXUWFJFHSA-N 0 1 408.546 4.043 50 30 HIEAMN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1O ZINC000096006238 559089703 /nfs/dbraw/zinc/08/97/03/559089703.db2.gz BPIWXOGOOOPINH-IBGZPJMESA-N 0 1 416.433 4.238 50 30 HIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O ZINC000004953730 559216070 /nfs/dbraw/zinc/21/60/70/559216070.db2.gz HZFOUUWXUMDLRU-PPPMLJSVSA-N 0 1 411.527 4.338 50 30 HIEAMN C=CCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000005516119 560604130 /nfs/dbraw/zinc/60/41/30/560604130.db2.gz MINTWDRBLXPRRM-UHFFFAOYSA-N 0 1 415.467 4.318 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000102698592 560820129 /nfs/dbraw/zinc/82/01/29/560820129.db2.gz SURBEXHTPUBRBY-SELCWUDQSA-N 0 1 412.804 4.402 50 30 HIEAMN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102701551 560820307 /nfs/dbraw/zinc/82/03/07/560820307.db2.gz ZEFRKOZJBSGZTJ-WOOAAIBNSA-N 0 1 424.478 4.460 50 30 HIEAMN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccs2)s1 ZINC000102740465 560824930 /nfs/dbraw/zinc/82/49/30/560824930.db2.gz AXTPTFBQJLNBII-REQDGWNSSA-N 0 1 417.537 4.411 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2F)no1 ZINC000102799327 560828169 /nfs/dbraw/zinc/82/81/69/560828169.db2.gz OTXVYHTVVXLLTK-NHFXJNLRSA-N 0 1 418.380 4.495 50 30 HIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000103933895 560845087 /nfs/dbraw/zinc/84/50/87/560845087.db2.gz TWISTNAYROQKOD-FEYWKWKCSA-N 0 1 413.473 4.360 50 30 HIEAMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012259804 568456500 /nfs/dbraw/zinc/45/65/00/568456500.db2.gz HMLAWNFGGBKOIK-NSHDSACASA-N 0 1 403.577 4.424 50 30 HIEAMN C[N@@H+]1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Br)c3[O-])sc2C1 ZINC000000830478 568504383 /nfs/dbraw/zinc/50/43/83/568504383.db2.gz YYNLEIVSPBFVCA-IFRROFPPSA-N 0 1 410.724 4.480 50 30 HIEAMN C[N@H+]1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Br)c3[O-])sc2C1 ZINC000000830478 568504385 /nfs/dbraw/zinc/50/43/85/568504385.db2.gz YYNLEIVSPBFVCA-IFRROFPPSA-N 0 1 410.724 4.480 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1 ZINC000020150147 568590651 /nfs/dbraw/zinc/59/06/51/568590651.db2.gz BMZKTYYVPOLHGR-FQEVSTJZSA-N 0 1 424.884 4.226 50 30 HIEAMN COc1ccc(CCc2nnc(NC(=O)CCn3ccc4ccccc43)[nH]2)cc1OC ZINC000095476673 568630522 /nfs/dbraw/zinc/63/05/22/568630522.db2.gz ZPGAYVWWMCWDAO-UHFFFAOYSA-N 0 1 419.485 4.240 50 30 HIEAMN COc1ccc(CCc2n[nH]c(NC(=O)CCn3ccc4ccccc43)n2)cc1OC ZINC000095476673 568630525 /nfs/dbraw/zinc/63/05/25/568630525.db2.gz ZPGAYVWWMCWDAO-UHFFFAOYSA-N 0 1 419.485 4.240 50 30 HIEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 ZINC000006134386 569014196 /nfs/dbraw/zinc/01/41/96/569014196.db2.gz OQELCCXRFXEEAA-HXUWFJFHSA-N 0 1 420.490 4.320 50 30 HIEAMN O=C1Nc2cc(Br)ccc2/C1=C1/Nc2cc(Br)ccc2C1=O ZINC000100352537 569052085 /nfs/dbraw/zinc/05/20/85/569052085.db2.gz JCKVHZFGTVQBJM-YPKPFQOOSA-N 0 1 420.060 4.183 50 30 HIEAMN COc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 ZINC000244900183 569055195 /nfs/dbraw/zinc/05/51/95/569055195.db2.gz ZXSQYSLSXKOQFO-UHFFFAOYSA-N 0 1 413.521 4.425 50 30 HIEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005408628 569071950 /nfs/dbraw/zinc/07/19/50/569071950.db2.gz IOVCJYKSGLHSAX-VXLYETTFSA-N 0 1 403.851 4.450 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006691045 569091291 /nfs/dbraw/zinc/09/12/91/569091291.db2.gz IMORDLUXULSIAZ-OAQYLSRUSA-N 0 1 419.433 4.075 50 30 HIEAMN Cc1cc(=O)oc2c(C=Nc3ccc(I)cc3)c(O)ccc12 ZINC000252593887 569296185 /nfs/dbraw/zinc/29/61/85/569296185.db2.gz BOABQVLYEXFVRT-UHFFFAOYSA-N 0 1 405.191 4.162 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000008740977 571110604 /nfs/dbraw/zinc/11/06/04/571110604.db2.gz WLGNFZJXEKDATL-LJQANCHMSA-N 0 1 424.840 4.428 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000009046452 571215637 /nfs/dbraw/zinc/21/56/37/571215637.db2.gz IBNZBLINXRXMLA-OAQYLSRUSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009433798 571258587 /nfs/dbraw/zinc/25/85/87/571258587.db2.gz QHQYVHJQEQMMBW-FQEVSTJZSA-N 0 1 418.405 4.275 50 30 HIEAMN O=C([O-])c1ccc(N[NH+]=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)cc1 ZINC000254016437 854209558 /nfs/dbraw/zinc/20/95/58/854209558.db2.gz JKGHEBZJPBMGTF-NWAXCDTKSA-N 0 1 403.482 4.246 50 30 HIEAMN NC1=C(c2nc3ccccc3s2)C(=O)CN1N=Cc1cccc(Cl)c1Cl ZINC000254415004 854211027 /nfs/dbraw/zinc/21/10/27/854211027.db2.gz LAUSOLPUGSBNSW-UHFFFAOYSA-N 0 1 403.294 4.149 50 30 HIEAMN C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000033153864 519124774 /nfs/dbraw/zinc/12/47/74/519124774.db2.gz NSQLFLQRBLPAOY-WOJGMQOQSA-N 0 1 412.873 4.227 50 30 HIEAMN CCC[C@@H](C)Nc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829257 520668544 /nfs/dbraw/zinc/66/85/44/520668544.db2.gz FGYVZIDPHMFQSJ-AUUYWEPGSA-N 0 1 412.490 4.408 50 30 HIEAMN CCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093491 520896858 /nfs/dbraw/zinc/89/68/58/520896858.db2.gz FOXYDHCYCFBZHT-DZRHBTRISA-N 0 1 424.570 4.395 50 30 HIEAMN Oc1c(I)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2 ZINC000000704798 526331734 /nfs/dbraw/zinc/33/17/34/526331734.db2.gz DDBUDMKFGZEGBA-QGMBQPNBSA-N 0 1 415.614 4.172 50 30 HIEAMN CC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(I)c2O)cc1 ZINC000001029954 557146559 /nfs/dbraw/zinc/14/65/59/557146559.db2.gz OOPGCINBTUTVLL-QGMBQPNBSA-N 0 1 414.630 4.359 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000001166002 557220854 /nfs/dbraw/zinc/22/08/54/557220854.db2.gz YEPCABPOALORCV-KRWDZBQOSA-N 0 1 409.467 4.346 50 30 HIEAMN COc1ccc(/C=C/C(=O)c2ccccc2O)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000004652046 557575911 /nfs/dbraw/zinc/57/59/11/557575911.db2.gz OSOYNAJDOICEPU-CSKARUKUSA-N 0 1 407.426 4.067 50 30 HIEAMN CN(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Br)cc1 ZINC000005795427 557674905 /nfs/dbraw/zinc/67/49/05/557674905.db2.gz VNLPQVPTLITAJC-YBFXNURJSA-N 0 1 402.321 4.318 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c1 ZINC000005812715 557675773 /nfs/dbraw/zinc/67/57/73/557675773.db2.gz UXVFBPQEULIQRE-QFIPXVFZSA-N 0 1 414.461 4.177 50 30 HIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000006004619 557683899 /nfs/dbraw/zinc/68/38/99/557683899.db2.gz ZRJWEFUVYFPVEP-KEBDBYFISA-N 0 1 404.879 4.169 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nncs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008915048 557813879 /nfs/dbraw/zinc/81/38/79/557813879.db2.gz ICZSWLAYMTUNRM-INIZCTEOSA-N 0 1 411.870 4.283 50 30 HIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009333872 557837613 /nfs/dbraw/zinc/83/76/13/557837613.db2.gz LGMFGWATOFZWSB-SFHVURJKSA-N 0 1 424.453 4.464 50 30 HIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(Br)c2)cc1 ZINC000009359459 557839503 /nfs/dbraw/zinc/83/95/03/557839503.db2.gz BDAWAHDKHISJDY-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019882905 558301503 /nfs/dbraw/zinc/30/15/03/558301503.db2.gz ZJBSCYOVWFUVON-NRFANRHFSA-N 0 1 410.489 4.089 50 30 HIEAMN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)Nc3ccc(C#N)cc3)n2)cc1 ZINC000033175623 558904998 /nfs/dbraw/zinc/90/49/98/558904998.db2.gz OSTDOGPLYSZFKY-UHFFFAOYSA-N 0 1 416.462 4.385 50 30 HIEAMN CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2C#N)cc1 ZINC000012411963 560211880 /nfs/dbraw/zinc/21/18/80/560211880.db2.gz QZLLHUFXFQXWMJ-UHFFFAOYSA-N 0 1 406.438 4.005 50 30 biogenic,in-vitro HIEAMN Cc1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C#N)cc1 ZINC000005238307 560548847 /nfs/dbraw/zinc/54/88/47/560548847.db2.gz LAAKSIXOBSBQNL-UHFFFAOYSA-N 0 1 410.886 4.001 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005446058 560588235 /nfs/dbraw/zinc/58/82/35/560588235.db2.gz RPXLYXKELRGIKK-ICSRJNTNSA-N 0 1 411.885 4.406 50 30 HIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294122 560791001 /nfs/dbraw/zinc/79/10/01/560791001.db2.gz YSVDKBMSNIWAGB-NHFXJNLRSA-N 0 1 420.421 4.076 50 30 HIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294499 560791065 /nfs/dbraw/zinc/79/10/65/560791065.db2.gz CSHIGTSVHBUETE-LFVOPCPISA-N 0 1 422.462 4.236 50 30 HIEAMN Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102601037 560817739 /nfs/dbraw/zinc/81/77/39/560817739.db2.gz HWQSWXPVLPBKQZ-NHFXJNLRSA-N 0 1 418.405 4.118 50 30 HIEAMN Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102601032 560817761 /nfs/dbraw/zinc/81/77/61/560817761.db2.gz HWQSWXPVLPBKQZ-YDJIHCHBSA-N 0 1 418.405 4.118 50 30 HIEAMN CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102727014 560821955 /nfs/dbraw/zinc/82/19/55/560821955.db2.gz MCOJDESBGMRDBM-WOOAAIBNSA-N 0 1 424.478 4.460 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000102804127 560826750 /nfs/dbraw/zinc/82/67/50/560826750.db2.gz YMNYVQGHIWAMPM-LFVOPCPISA-N 0 1 424.840 4.271 50 30 HIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102804305 560826779 /nfs/dbraw/zinc/82/67/79/560826779.db2.gz MUEWLLNJFMJXRO-NHFXJNLRSA-N 0 1 422.412 4.147 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F ZINC000102879326 560833564 /nfs/dbraw/zinc/83/35/64/560833564.db2.gz VYWXBKVYQTXKDL-YDJIHCHBSA-N 0 1 422.843 4.496 50 30 HIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102927802 560834596 /nfs/dbraw/zinc/83/45/96/560834596.db2.gz YDGNUHQXDZVIGP-MOBKVPTQSA-N 0 1 421.493 4.018 50 30 HIEAMN Cc1snc(SCc2n[nH]c(COc3cccc(C(F)(F)F)c3)n2)c1C#N ZINC000005721520 560853865 /nfs/dbraw/zinc/85/38/65/560853865.db2.gz QZKVSTBNDAXZRO-UHFFFAOYSA-N 0 1 411.434 4.331 50 30 HIEAMN Cc1snc(SCc2nnc(COc3cccc(C(F)(F)F)c3)[nH]2)c1C#N ZINC000005721520 560853866 /nfs/dbraw/zinc/85/38/66/560853866.db2.gz QZKVSTBNDAXZRO-UHFFFAOYSA-N 0 1 411.434 4.331 50 30 HIEAMN CC(C)C[C@H](C)N1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccccc2)CC1 ZINC000046021853 568424108 /nfs/dbraw/zinc/42/41/08/568424108.db2.gz LOZLIDYAERXGFP-FQEVSTJZSA-N 0 1 422.573 4.214 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1 ZINC000020150148 568590704 /nfs/dbraw/zinc/59/07/04/568590704.db2.gz BMZKTYYVPOLHGR-HXUWFJFHSA-N 0 1 424.884 4.226 50 30 HIEAMN Cc1cccc(NC(=O)C(=NNc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 ZINC000095011307 568593930 /nfs/dbraw/zinc/59/39/30/568593930.db2.gz DDTAVQMIIPRWJN-YYADALCUSA-N 0 1 401.422 4.013 50 30 HIEAMN CCc1ccccc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N=C2NC(C)(C)C ZINC000096310069 568724028 /nfs/dbraw/zinc/72/40/28/568724028.db2.gz DXDWZFJSPDHGIY-HSZRJFAPSA-N 0 1 406.534 4.355 50 30 HIEAMN Cc1c(C#N)c(NC(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1ccc2c(c1)OCO2 ZINC000004087328 568940883 /nfs/dbraw/zinc/94/08/83/568940883.db2.gz LIHAJQJIJREJNB-UHFFFAOYSA-N 0 1 411.395 4.001 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1 ZINC000006786639 569121465 /nfs/dbraw/zinc/12/14/65/569121465.db2.gz HJLSVEUZVMRVFT-OAQYLSRUSA-N 0 1 419.433 4.075 50 30 HIEAMN N#CCc1ccc(OC[C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036391729 569167291 /nfs/dbraw/zinc/16/72/91/569167291.db2.gz FVZKVDRHTNVDGR-VGSWGCGISA-N 0 1 410.564 4.263 50 30 HIEAMN COc1ccc(N=Cc2cc(Cl)cc(I)c2O)cc1OC ZINC000252625218 569310101 /nfs/dbraw/zinc/31/01/01/569310101.db2.gz QFKYBINTCNYOGL-UHFFFAOYSA-N 0 1 417.630 4.418 50 30 HIEAMN O=[N+]([O-])c1ccc(C=NNc2nc(C(Cl)(Cl)Cl)nc3ccccc32)o1 ZINC000254478192 854211932 /nfs/dbraw/zinc/21/19/32/854211932.db2.gz ACVFVQSAKNMGLS-UHFFFAOYSA-N 0 1 400.609 4.404 50 30 HIEAMN CC(C)C[C@@H](C)N1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]Cc2ccccc2)CC1 ZINC000021046927 519772633 /nfs/dbraw/zinc/77/26/33/519772633.db2.gz JUYFQIFXCQFXNJ-HXUWFJFHSA-N 0 1 422.573 4.214 50 30 HIEAMN COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2Cl)S1 ZINC000005094351 557635175 /nfs/dbraw/zinc/63/51/75/557635175.db2.gz KRSSYKLCVBBKEU-CTJICSLTSA-N 0 1 408.310 4.166 50 30 HIEAMN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 ZINC000005408621 557651699 /nfs/dbraw/zinc/65/16/99/557651699.db2.gz JQZYNMAWONNQIA-JOCHJYFZSA-N 0 1 414.461 4.259 50 30 HIEAMN COc1cc(-c2n[nH]c(=S)n2N=CC(C)=Cc2ccco2)cc(OC)c1OC ZINC000005665501 557667393 /nfs/dbraw/zinc/66/73/93/557667393.db2.gz NSKOQDGZUQPONN-RKHLGMAXSA-N 0 1 400.460 4.164 50 30 HIEAMN CN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc4ccccc43)S2)cc1 ZINC000005843440 557677263 /nfs/dbraw/zinc/67/72/63/557677263.db2.gz QKTWHZITWRSBSM-SGSZHJQISA-N 0 1 402.523 4.070 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000006786067 557720924 /nfs/dbraw/zinc/72/09/24/557720924.db2.gz NZRPFOMIBMYOQO-SFHVURJKSA-N 0 1 403.837 4.094 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000019880461 558300874 /nfs/dbraw/zinc/30/08/74/558300874.db2.gz HSIRJLQSTMEJMB-SFHVURJKSA-N 0 1 419.308 4.133 50 30 HIEAMN COc1cc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)cc([N+](=O)[O-])c1O ZINC000016267603 558782474 /nfs/dbraw/zinc/78/24/74/558782474.db2.gz YACIAZJKZUZVJP-CHHVJCJISA-N 0 1 419.846 4.162 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000016732944 558802430 /nfs/dbraw/zinc/80/24/30/558802430.db2.gz JIKLXRPYHODEAT-OAQYLSRUSA-N 0 1 418.424 4.013 50 30 HIEAMN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013653580 558850899 /nfs/dbraw/zinc/85/08/99/558850899.db2.gz YYGORXICUBVULP-OFNOZLENSA-N 0 1 407.466 4.027 50 30 HIEAMN COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000100822160 559141208 /nfs/dbraw/zinc/14/12/08/559141208.db2.gz VXABOCGDPOQZQE-DAFNUICNSA-N 0 1 418.474 4.066 50 30 HIEAMN N#Cc1cccc(CN2CCCn3nc(CN4CC[C@@H]5CCCC[C@H]5C4)cc3C2)c1 ZINC000072163789 559167105 /nfs/dbraw/zinc/16/71/05/559167105.db2.gz CQZPUUWQUNXAFH-GOTSBHOMSA-N 0 1 403.574 4.173 50 30 HIEAMN CCCC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000004898292 559199202 /nfs/dbraw/zinc/19/92/02/559199202.db2.gz VCHFDMLVDMNIGJ-NVHJWRPJSA-N 0 1 414.462 4.368 50 30 HIEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000004955104 559216489 /nfs/dbraw/zinc/21/64/89/559216489.db2.gz CEJYWJSEJHZTLS-SOXUWCDVSA-N 0 1 411.527 4.256 50 30 HIEAMN C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1Cl ZINC000005238246 560548673 /nfs/dbraw/zinc/54/86/73/560548673.db2.gz HWSJIYPTZJPCTF-LBPRGKRZSA-N 0 1 410.886 4.081 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1 ZINC000005491273 560597541 /nfs/dbraw/zinc/59/75/41/560597541.db2.gz LMXPZIHWAYOCLK-YOEHRIQHSA-N 0 1 403.887 4.159 50 30 HIEAMN CC(C)c1ccc([C@@H]2NC(=O)C(=O)C2C(=O)c2ccc(Br)cc2)cc1 ZINC000101062553 560768831 /nfs/dbraw/zinc/76/88/31/560768831.db2.gz PCVKLNPVLMKGHP-HVESIFNPSA-N 0 1 400.272 4.282 50 30 HIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000102495222 560812303 /nfs/dbraw/zinc/81/23/03/560812303.db2.gz BVDMCHIWPPTVAG-SELCWUDQSA-N 0 1 424.478 4.378 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)c1 ZINC000102723197 560821593 /nfs/dbraw/zinc/82/15/93/560821593.db2.gz NZBALOZENFAYOM-WOOAAIBNSA-N 0 1 424.840 4.271 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102799064 560828157 /nfs/dbraw/zinc/82/81/57/560828157.db2.gz VNVHSDQGIMZGKY-IDTYTIONSA-N 0 1 412.294 4.123 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102801060 560828473 /nfs/dbraw/zinc/82/84/73/560828473.db2.gz BAIPLELPHDEKAP-MRJHHRETSA-N 0 1 414.417 4.217 50 30 HIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000000837277 568514809 /nfs/dbraw/zinc/51/48/09/568514809.db2.gz XREZHCRBWZQGBU-RBUKOAKNSA-N 0 1 407.271 4.235 50 30 HIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000001451104 568692347 /nfs/dbraw/zinc/69/23/47/568692347.db2.gz JXJBWCVCIFYUKS-GOSISDBHSA-N 0 1 410.451 4.226 50 30 HIEAMN Cc1ccccc1C(=O)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309980 568724171 /nfs/dbraw/zinc/72/41/71/568724171.db2.gz PCAOUQOFXPXRIN-VWLOTQADSA-N 0 1 411.509 4.111 50 30 HIEAMN COc1cccc(C(=O)C=C([O-])C(=O)Nc2cc(C)c(C)cc2Br)c1 ZINC000334163156 568763857 /nfs/dbraw/zinc/76/38/57/568763857.db2.gz MTQRGALVCGKJDG-ZDLGFXPLSA-N 0 1 404.260 4.338 50 30 HIEAMN COc1cccc(C(=O)C=C(O)C(=O)Nc2cc(C)c(C)cc2Br)c1 ZINC000334163156 568763858 /nfs/dbraw/zinc/76/38/58/568763858.db2.gz MTQRGALVCGKJDG-ZDLGFXPLSA-N 0 1 404.260 4.338 50 30 HIEAMN COc1ccc(NC2=C[C@](C)(O)[C@H](C(C)=O)[C@@H](c3ccc(OC)cc3)C2C(C)=O)cc1 ZINC000001087476 568768317 /nfs/dbraw/zinc/76/83/17/568768317.db2.gz MSTZTORQVACHGQ-GVAUOCQISA-N 0 1 423.509 4.103 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000002501855 568777157 /nfs/dbraw/zinc/77/71/57/568777157.db2.gz ZCGXZYCPFPUJEQ-MRXNPFEDSA-N 0 1 411.870 4.283 50 30 HIEAMN O=C(NC[C@H]1CCCN(CC#Cc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015067766 569004366 /nfs/dbraw/zinc/00/43/66/569004366.db2.gz OTIKFPBOLJMUNU-OAQYLSRUSA-N 0 1 406.957 4.252 50 30 HIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006720086 569098004 /nfs/dbraw/zinc/09/80/04/569098004.db2.gz KAMILXCMBMDGQG-IFMALSPDSA-N 0 1 421.493 4.015 50 30 HIEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006813573 569136898 /nfs/dbraw/zinc/13/68/98/569136898.db2.gz TVJUWSBWUAFMJB-IEBWSBKVSA-N 0 1 415.848 4.236 50 30 HIEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2CN=Nc2nc3ccccc3n2C)cc1 ZINC000067317186 571076326 /nfs/dbraw/zinc/07/63/26/571076326.db2.gz YRTASHNVVQDUTR-HZHRSRAPSA-N 0 1 419.510 4.129 50 30 HIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008739599 571110276 /nfs/dbraw/zinc/11/02/76/571110276.db2.gz QGXJUSWVFBGRSX-LJQANCHMSA-N 0 1 424.840 4.428 50 30 HIEAMN COc1ccc(-c2nc(N3CCC[C@H]3c3ccc(OC)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040122667 571178482 /nfs/dbraw/zinc/17/84/82/571178482.db2.gz YHKUAMUBGLZWOR-FQEVSTJZSA-N 0 1 402.454 4.080 50 30 HIEAMN COc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c2C#N)cc1 ZINC000040122657 571178520 /nfs/dbraw/zinc/17/85/20/571178520.db2.gz FKMRDXSNMUGILF-UHFFFAOYSA-N 0 1 400.482 4.189 50 30 HIEAMN N#Cc1c2c(c(NC3CCCCC3)nc1N1CCOCC1)CN(C1CCCCC1)CC2 ZINC000005789239 132307975 /nfs/dbraw/zinc/30/79/75/132307975.db2.gz ZZRLTCJZOJCIHC-UHFFFAOYSA-N 0 1 423.605 4.225 50 30 HIEAMN C=CCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccn1C)C1CCCC1 ZINC000036342441 518755298 /nfs/dbraw/zinc/75/52/98/518755298.db2.gz HMNSGRQDPMSARC-HSZRJFAPSA-N 0 1 408.521 4.273 50 30 HIEAMN C=C[C@](C)(O)CN(CCC)Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1 ZINC000036206473 519305199 /nfs/dbraw/zinc/30/51/99/519305199.db2.gz SCQLSHLABFTSHY-QHCPKHFHSA-N 0 1 411.571 4.417 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102875207 523275636 /nfs/dbraw/zinc/27/56/36/523275636.db2.gz UGYNOQFPAOTSEE-SELCWUDQSA-N 0 1 420.292 4.452 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000001166003 557220807 /nfs/dbraw/zinc/22/08/07/557220807.db2.gz YEPCABPOALORCV-QGZVFWFLSA-N 0 1 409.467 4.346 50 30 HIEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C)cc2)cc(Br)c1O ZINC000001248858 557251497 /nfs/dbraw/zinc/25/14/97/557251497.db2.gz NSRVLRWXKLCRSB-DJKKODMXSA-N 0 1 419.304 4.275 50 30 HIEAMN COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000004159531 557521467 /nfs/dbraw/zinc/52/14/67/557521467.db2.gz HCKGXUZYMIVJGZ-SBUZPKSBSA-N 0 1 408.310 4.166 50 30 HIEAMN CC(=N[N-]c1cc(-n2nc(C)cc2C)nc(C)[nH+]1)c1c(F)c(F)c(F)c(F)c1F ZINC000004947087 557616127 /nfs/dbraw/zinc/61/61/27/557616127.db2.gz PJVMJPSXVKBSSV-JQAMDZJQSA-N 0 1 410.350 4.119 50 30 HIEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000005051484 557630507 /nfs/dbraw/zinc/63/05/07/557630507.db2.gz UKKFMVZZKJGESY-UHFFFAOYSA-N 0 1 405.479 4.114 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005595986 557664327 /nfs/dbraw/zinc/66/43/27/557664327.db2.gz KJNJKKHVFWZCAZ-NRFANRHFSA-N 0 1 414.417 4.373 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 ZINC000006445949 557702805 /nfs/dbraw/zinc/70/28/05/557702805.db2.gz CHTPQLQHJNWQJS-HSZRJFAPSA-N 0 1 423.472 4.384 50 30 HIEAMN CN(C)c1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000012843816 558478619 /nfs/dbraw/zinc/47/86/19/558478619.db2.gz WJZBJGAIQHLMNQ-RSFOSLOZSA-N 0 1 421.353 4.224 50 30 HIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F ZINC000018207919 558833377 /nfs/dbraw/zinc/83/33/77/558833377.db2.gz MUPYKIHCSRDTRG-HXUWFJFHSA-N 0 1 406.388 4.138 50 30 HIEAMN O=C([O-])C(=O)C=C(O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000100970611 559142379 /nfs/dbraw/zinc/14/23/79/559142379.db2.gz DGJZJCIAWLMRBY-ZHZULCJRSA-N 0 1 413.901 4.261 50 30 in-vitro HIEAMN CCOC(=O)CC(C)=Nc1ncn(-c2ccc(OC)cc2)c1C(=O)c1ccccc1 ZINC000100218344 559178736 /nfs/dbraw/zinc/17/87/36/559178736.db2.gz VNPMNJOJSDMZEX-PCLIKHOPSA-N 0 1 405.454 4.158 50 30 HIEAMN CC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000004898859 559199037 /nfs/dbraw/zinc/19/90/37/559199037.db2.gz YJRGBBKBPXHOLB-BDVIWPHNSA-N 0 1 402.317 4.303 50 30 HIEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004957057 559216847 /nfs/dbraw/zinc/21/68/47/559216847.db2.gz JQMMNYZAOBYFHP-GKYNBQQKSA-N 0 1 415.490 4.087 50 30 HIEAMN Cc1ccc(CC2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1C ZINC000005546261 560607635 /nfs/dbraw/zinc/60/76/35/560607635.db2.gz RUFUEPSZSOOFLB-DAMKXSJNSA-N 0 1 418.522 4.368 50 30 HIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102803988 560826764 /nfs/dbraw/zinc/82/67/64/560826764.db2.gz JPRMYPJEXJHNAY-NHFXJNLRSA-N 0 1 420.490 4.164 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000102797571 560827955 /nfs/dbraw/zinc/82/79/55/560827955.db2.gz NFVPJDRSKUCWOY-LFVOPCPISA-N 0 1 408.841 4.258 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102875516 560830522 /nfs/dbraw/zinc/83/05/22/560830522.db2.gz MDZRXUWIQNBOSD-NHFXJNLRSA-N 0 1 418.405 4.118 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000102861950 560832052 /nfs/dbraw/zinc/83/20/52/560832052.db2.gz LMXMEZMBNVWMQZ-DLBSFMOSSA-N 0 1 403.887 4.002 50 30 HIEAMN CCc1cccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2N=C3NC(C)(C)C)c1 ZINC000096310086 568724395 /nfs/dbraw/zinc/72/43/95/568724395.db2.gz ZYUYGRGTDHTBHS-QHCPKHFHSA-N 0 1 406.534 4.355 50 30 HIEAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCc2ccc(C#N)cc2)c1 ZINC000003278329 568871235 /nfs/dbraw/zinc/87/12/35/568871235.db2.gz JDKZLVCZNNPNIN-UHFFFAOYSA-N 0 1 420.490 4.333 50 30 HIEAMN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1C#N ZINC000008185489 568980339 /nfs/dbraw/zinc/98/03/39/568980339.db2.gz SOHIDDSKQXVCQG-MRXNPFEDSA-N 0 1 423.542 4.071 50 30 HIEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccncc1 ZINC000006080255 568994042 /nfs/dbraw/zinc/99/40/42/568994042.db2.gz DCWIFGZOTZHSQS-OAQYLSRUSA-N 0 1 411.417 4.001 50 30 HIEAMN COC(=O)c1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000245241329 569055313 /nfs/dbraw/zinc/05/53/13/569055313.db2.gz AKEMZTCLVWDOLC-UHFFFAOYSA-N 0 1 411.505 4.195 50 30 HIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006720087 569098000 /nfs/dbraw/zinc/09/80/00/569098000.db2.gz KAMILXCMBMDGQG-IRLDBZIGSA-N 0 1 421.493 4.015 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(CC)cc2)cc1 ZINC000006308884 569279773 /nfs/dbraw/zinc/27/97/73/569279773.db2.gz ZSPMXVCKQDKIBT-QFIPXVFZSA-N 0 1 421.493 4.039 50 30 HIEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1-c1ccccc1 ZINC000009042020 569391294 /nfs/dbraw/zinc/39/12/94/569391294.db2.gz GFMOATJWUGHPDN-UHFFFAOYSA-N 0 1 414.849 4.244 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)no1 ZINC000008996652 571208821 /nfs/dbraw/zinc/20/88/21/571208821.db2.gz ZKNXEMNJMYWAMQ-SFHVURJKSA-N 0 1 410.813 4.125 50 30 HIEAMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000009042054 571214987 /nfs/dbraw/zinc/21/49/87/571214987.db2.gz KZJJUWDADXRTKZ-CYBMUJFWSA-N 0 1 424.913 4.390 50 30 HIEAMN CC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000009272242 571244504 /nfs/dbraw/zinc/24/45/04/571244504.db2.gz MVEYBBWMMSBPHV-UCVXVQGBSA-N 0 1 420.307 4.442 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1C ZINC000009313110 571247093 /nfs/dbraw/zinc/24/70/93/571247093.db2.gz WJDCDIDPCJWNCC-FQEVSTJZSA-N 0 1 422.412 4.222 50 30 HIEAMN CCN(CC)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032682598 520929010 /nfs/dbraw/zinc/92/90/10/520929010.db2.gz DAGVDJLGFSRTQO-GOSISDBHSA-N 0 1 414.918 4.168 50 30 HIEAMN COC(=O)c1ccc(/N=C/c2cc(Cl)cc(I)c2O)cc1 ZINC000000711808 557066416 /nfs/dbraw/zinc/06/64/16/557066416.db2.gz BWQYQAHKUILPDE-QGMBQPNBSA-N 0 1 415.614 4.187 50 30 HIEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000004158542 557521261 /nfs/dbraw/zinc/52/12/61/557521261.db2.gz MSCRTPOHJCSEKE-CTJICSLTSA-N 0 1 408.310 4.166 50 30 HIEAMN CC(C)Oc1ccc(/C=N/N=C2\NC(=O)C(Cc3cccc(Cl)c3)S2)cc1 ZINC000004724864 557587104 /nfs/dbraw/zinc/58/71/04/557587104.db2.gz XMKRYZLNENUSHN-FNLSEGDXSA-N 0 1 401.919 4.291 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000009046200 557820601 /nfs/dbraw/zinc/82/06/01/557820601.db2.gz HJGXDKNQPMJBBF-FQEVSTJZSA-N 0 1 421.884 4.205 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000019898801 558304537 /nfs/dbraw/zinc/30/45/37/558304537.db2.gz WFUUSZOGXYJQBH-SFHVURJKSA-N 0 1 419.308 4.133 50 30 HIEAMN C=CCOC[C@H](O)CN(Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000004460036 558590360 /nfs/dbraw/zinc/59/03/60/558590360.db2.gz OVRYDRJSCUBSHS-XMMPIXPASA-N 0 1 408.517 4.241 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)c1 ZINC000013570461 558844358 /nfs/dbraw/zinc/84/43/58/558844358.db2.gz HSNGYUXQCGISBC-IBGZPJMESA-N 0 1 424.840 4.428 50 30 HIEAMN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000013653805 558850839 /nfs/dbraw/zinc/85/08/39/558850839.db2.gz MOACJKZREYOZJW-PXNCGERRSA-N 0 1 409.482 4.400 50 30 HIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)cc1OC ZINC000013653803 558850977 /nfs/dbraw/zinc/85/09/77/558850977.db2.gz HDXWJGFKVFUHGT-QZDMBBGESA-N 0 1 409.482 4.258 50 30 HIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004889134 559197739 /nfs/dbraw/zinc/19/77/39/559197739.db2.gz WMVWANYBUHFNCK-PPPMLJSVSA-N 0 1 411.527 4.338 50 30 HIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000005045118 559236429 /nfs/dbraw/zinc/23/64/29/559236429.db2.gz NKHSNUGAZYYLQY-QFIPXVFZSA-N 0 1 421.493 4.175 50 30 HIEAMN CCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000005070429 559240599 /nfs/dbraw/zinc/24/05/99/559240599.db2.gz QVOZQMATSNGIQJ-MJHJUBQXSA-N 0 1 411.527 4.338 50 30 HIEAMN COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2c(Cl)cccc2Cl)S1 ZINC000005234009 560547909 /nfs/dbraw/zinc/54/79/09/560547909.db2.gz PQRSHJYJOXJVSL-CTJICSLTSA-N 0 1 408.310 4.166 50 30 HIEAMN C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1Cl ZINC000005238247 560548677 /nfs/dbraw/zinc/54/86/77/560548677.db2.gz HWSJIYPTZJPCTF-GFCCVEGCSA-N 0 1 410.886 4.081 50 30 HIEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005409201 560583753 /nfs/dbraw/zinc/58/37/53/560583753.db2.gz DRYURCTXCGSRSC-FQEVSTJZSA-N 0 1 406.388 4.138 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CC(C)C)cc1OC ZINC000005408952 560583773 /nfs/dbraw/zinc/58/37/73/560583773.db2.gz QBZICVFSTIWOLR-NRFANRHFSA-N 0 1 409.482 4.247 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102511925 560815157 /nfs/dbraw/zinc/81/51/57/560815157.db2.gz SIXYKWOKTQTPKK-MOBKVPTQSA-N 0 1 406.526 4.102 50 30 HIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000102886181 560834189 /nfs/dbraw/zinc/83/41/89/560834189.db2.gz PORKRXRUIDERGA-YDJIHCHBSA-N 0 1 422.412 4.147 50 30 HIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)sc1C ZINC000102933193 560835565 /nfs/dbraw/zinc/83/55/65/560835565.db2.gz BWNPUCOGIDHOLI-SELCWUDQSA-N 0 1 424.453 4.231 50 30 HIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000103933890 560845077 /nfs/dbraw/zinc/84/50/77/560845077.db2.gz TWISTNAYROQKOD-UGUGFTGJSA-N 0 1 413.473 4.360 50 30 HIEAMN 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YEJGYCPVLIVUAY-UHFFFAOYSA-N 0 1 422.095 4.453 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C ZINC000008837641 557811469 /nfs/dbraw/zinc/81/14/69/557811469.db2.gz SCESYDCSTKFUHC-FQEVSTJZSA-N 0 1 420.490 4.239 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016741316 558803455 /nfs/dbraw/zinc/80/34/55/558803455.db2.gz HWBLHMLUBPOWJX-NRFANRHFSA-N 0 1 405.450 4.024 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCC)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000016741466 558803697 /nfs/dbraw/zinc/80/36/97/558803697.db2.gz ZSACHGBRWFHONO-OAQYLSRUSA-N 0 1 407.466 4.248 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCC)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016741465 558803718 /nfs/dbraw/zinc/80/37/18/558803718.db2.gz ZSACHGBRWFHONO-NRFANRHFSA-N 0 1 407.466 4.248 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCC)[C@H]2c2cccc(OC)c2)cc1 ZINC000016742392 558804178 /nfs/dbraw/zinc/80/41/78/558804178.db2.gz YDTPOVHKPPEPSK-NRFANRHFSA-N 0 1 407.466 4.248 50 30 HIEAMN COc1ccc(/C(C)=N/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000016995740 558811328 /nfs/dbraw/zinc/81/13/28/558811328.db2.gz PFJDADSLLGBQOU-BIXBROTJSA-N 0 1 421.444 4.268 50 30 HIEAMN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013653822 558851132 /nfs/dbraw/zinc/85/11/32/558851132.db2.gz GGSMOFWEZDPHKD-PJMHOZITSA-N 0 1 407.466 4.169 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1F ZINC000013719671 558859468 /nfs/dbraw/zinc/85/94/68/558859468.db2.gz JZASITOVKGAPJB-LJQANCHMSA-N 0 1 424.453 4.069 50 30 HIEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2OC)c1 ZINC000009332434 559073751 /nfs/dbraw/zinc/07/37/51/559073751.db2.gz ZWYKLWVVDJFMTM-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN CC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000004898860 559199087 /nfs/dbraw/zinc/19/90/87/559199087.db2.gz YJRGBBKBPXHOLB-QMNVRMOGSA-N 0 1 402.317 4.303 50 30 HIEAMN CCCC1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000005070426 559240586 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ZINC000017161520 569275990 /nfs/dbraw/zinc/27/59/90/569275990.db2.gz UBJLSMBQHXGAQQ-KRWDZBQOSA-N 0 1 410.451 4.144 50 30 HIEAMN CCN(CC)S(=O)(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000252462104 569286845 /nfs/dbraw/zinc/28/68/45/569286845.db2.gz PSQYBQAQFDGIAG-UHFFFAOYSA-N 0 1 401.315 4.480 50 30 HIEAMN CC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002193881 569293915 /nfs/dbraw/zinc/29/39/15/569293915.db2.gz MVEYBBWMMSBPHV-AKGMTCMXSA-N 0 1 420.307 4.442 50 30 HIEAMN COc1ccc(/N=C/c2cc(Cl)cc(I)c2O)cc1OC ZINC000003153405 569322976 /nfs/dbraw/zinc/32/29/76/569322976.db2.gz QFKYBINTCNYOGL-QGMBQPNBSA-N 0 1 417.630 4.418 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000002266092 569325731 /nfs/dbraw/zinc/32/57/31/569325731.db2.gz LLAKWYGOLUQRPF-WTLZDUFCSA-N 0 1 411.527 4.256 50 30 HIEAMN COc1ccc(-c2nc(N3CCC[C@@H]3c3ccc(OC)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040122666 571178441 /nfs/dbraw/zinc/17/84/41/571178441.db2.gz YHKUAMUBGLZWOR-HXUWFJFHSA-N 0 1 402.454 4.080 50 30 HIEAMN C=CCN1c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009166794 571232922 /nfs/dbraw/zinc/23/29/22/571232922.db2.gz XTSQADWTXIXSHH-UHFFFAOYSA-N 0 1 420.918 4.078 50 30 HIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 ZINC000009187341 571235135 /nfs/dbraw/zinc/23/51/35/571235135.db2.gz WHPLRZOLEVFCFE-ZDUSSCGKSA-N 0 1 415.521 4.104 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1 ZINC000009240786 571240730 /nfs/dbraw/zinc/24/07/30/571240730.db2.gz SSADOHHUKNRCFT-YDJIHCHBSA-N 0 1 424.884 4.070 50 30 HIEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1 ZINC000009432047 571258459 /nfs/dbraw/zinc/25/84/59/571258459.db2.gz AEYGVHLAXGJCJP-IBGZPJMESA-N 0 1 422.368 4.105 50 30 HIEAMN CC(=O)Oc1ccc(C(C)=NN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000254855697 854216135 /nfs/dbraw/zinc/21/61/35/854216135.db2.gz VFJDOAOXHRJGQU-UHFFFAOYSA-N 0 1 401.510 4.307 50 30 HIEAMN C=CCN1CCc2ccc(O[C@@H](C)C(=O)NCc3ccco3)cc2[C@H]1c1ccccc1 ZINC000034667417 518870373 /nfs/dbraw/zinc/87/03/73/518870373.db2.gz CCTNGFHXCJNXJK-UQBPGWFLSA-N 0 1 416.521 4.497 50 30 HIEAMN C=CCN1CCc2ccc(O[C@@H](C)C(=O)NCc3ccco3)cc2[C@@H]1c1ccccc1 ZINC000034667415 518871381 /nfs/dbraw/zinc/87/13/81/518871381.db2.gz CCTNGFHXCJNXJK-DFBJGRDBSA-N 0 1 416.521 4.497 50 30 HIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000009067671 524052644 /nfs/dbraw/zinc/05/26/44/524052644.db2.gz PPLIYUNJFHVJSW-QFIPXVFZSA-N 0 1 423.509 4.181 50 30 HIEAMN N#CCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CC1 ZINC000023318870 526459064 /nfs/dbraw/zinc/45/90/64/526459064.db2.gz GRVUBVDSIWKVAL-UHFFFAOYSA-N 0 1 419.916 4.069 50 30 HIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Br)cc2)cc1OC ZINC000001300271 557254360 /nfs/dbraw/zinc/25/43/60/557254360.db2.gz BWIWENKRFKSNQW-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S2)cc1 ZINC000002668983 557366229 /nfs/dbraw/zinc/36/62/29/557366229.db2.gz JOLHSDMPNFWGLR-ZTBJCTOSSA-N 0 1 421.353 4.224 50 30 HIEAMN C/C(=N\N=C1/NC(=O)C(Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1 ZINC000005725219 557670934 /nfs/dbraw/zinc/67/09/34/557670934.db2.gz HNESGQHNJDYMTJ-FVWOBLMASA-N 0 1 409.408 4.399 50 30 HIEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000013801826 558594833 /nfs/dbraw/zinc/59/48/33/558594833.db2.gz PUUJKIWKEQOHGJ-CEXWTWQISA-N 0 1 407.562 4.416 50 30 HIEAMN COc1ccc([C@@H]2C(C(C)=O)C(Nc3ccccc3)=C[C@](C)(O)[C@@H]2C(C)=O)cc1OC ZINC000013151586 558597119 /nfs/dbraw/zinc/59/71/19/558597119.db2.gz UKYUDHVJWJPQCG-SDHSZQHLSA-N 0 1 423.509 4.103 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004888194 559197770 /nfs/dbraw/zinc/19/77/70/559197770.db2.gz SSURETABIDPLEY-MJHJUBQXSA-N 0 1 410.543 4.005 50 30 HIEAMN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000005238235 560548667 /nfs/dbraw/zinc/54/86/67/560548667.db2.gz KUJIAHBSSHFOMP-UHFFFAOYSA-N 0 1 410.886 4.001 50 30 HIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@H]12 ZINC000061997013 560568881 /nfs/dbraw/zinc/56/88/81/560568881.db2.gz FZFNSVTYWBAPRB-MAMHGHJKSA-N 0 1 412.549 4.262 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005446203 560588237 /nfs/dbraw/zinc/58/82/37/560588237.db2.gz RPXLYXKELRGIKK-UYAOXDASSA-N 0 1 411.885 4.406 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000005491269 560597524 /nfs/dbraw/zinc/59/75/24/560597524.db2.gz LMXPZIHWAYOCLK-RHSMWYFYSA-N 0 1 403.887 4.159 50 30 HIEAMN COc1ccc([C@@H]2c3c(C)n[nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1O ZINC000018198339 560783517 /nfs/dbraw/zinc/78/35/17/560783517.db2.gz IOPGHBKHZCAHAI-RNODOKPDSA-N 0 1 407.495 4.452 50 30 HIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294503 560791094 /nfs/dbraw/zinc/79/10/94/560791094.db2.gz CSHIGTSVHBUETE-WOOAAIBNSA-N 0 1 422.462 4.236 50 30 HIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401878 560810561 /nfs/dbraw/zinc/81/05/61/560810561.db2.gz QTIJXPOVLWVMBK-CVCLFZMUSA-N 0 1 405.494 4.411 50 30 HIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401876 560810566 /nfs/dbraw/zinc/81/05/66/560810566.db2.gz QTIJXPOVLWVMBK-XZIUATRESA-N 0 1 405.494 4.411 50 30 HIEAMN Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)no1 ZINC000102530122 560813195 /nfs/dbraw/zinc/81/31/95/560813195.db2.gz CYPXKHXWWYJNDO-SELCWUDQSA-N 0 1 412.804 4.402 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)no1 ZINC000102530122 560813196 /nfs/dbraw/zinc/81/31/96/560813196.db2.gz CYPXKHXWWYJNDO-SELCWUDQSA-N 0 1 412.804 4.402 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F ZINC000102649398 560818986 /nfs/dbraw/zinc/81/89/86/560818986.db2.gz UQLLZIZUNJSCIN-BCHZJAEDSA-N 0 1 415.848 4.080 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)no1 ZINC000102702355 560820347 /nfs/dbraw/zinc/82/03/47/560820347.db2.gz ZJLBPLBXQIQIKF-SELCWUDQSA-N 0 1 412.804 4.402 50 30 HIEAMN O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102732792 560822630 /nfs/dbraw/zinc/82/26/30/560822630.db2.gz PQUDGBSFMNKUHN-IDTYTIONSA-N 0 1 416.220 4.003 50 30 HIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102804081 560826794 /nfs/dbraw/zinc/82/67/94/560826794.db2.gz SVUHAWIMHZKKPA-LFVOPCPISA-N 0 1 424.840 4.271 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000102884084 560834045 /nfs/dbraw/zinc/83/40/45/560834045.db2.gz LOZRLJCTKHUOPM-HOGKFDNTSA-N 0 1 423.509 4.180 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000102884082 560834122 /nfs/dbraw/zinc/83/41/22/560834122.db2.gz LOZRLJCTKHUOPM-MOBKVPTQSA-N 0 1 423.509 4.180 50 30 HIEAMN N#Cc1ccc(Cn2ccc([C@@H]3CCCN(Cc4ccc(C#N)cc4F)C3)n2)c(F)c1 ZINC000058004630 568873815 /nfs/dbraw/zinc/87/38/15/568873815.db2.gz XCTOFBXZUPMCBG-OAQYLSRUSA-N 0 1 417.463 4.333 50 30 HIEAMN N#Cc1c(=O)[nH]c(SCCC(=O)Nc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000031773902 568930978 /nfs/dbraw/zinc/93/09/78/568930978.db2.gz MIUSIAPXGFWVDB-UHFFFAOYSA-N 0 1 410.886 4.083 50 30 HIEAMN COc1ccc(NC2=C[C@](C)(O)[C@@H](C(C)=O)[C@@H](c3ccc(C)cc3)C2C(C)=O)cc1 ZINC000004182743 568949399 /nfs/dbraw/zinc/94/93/99/568949399.db2.gz RKXPVICVAJINNA-SDHOMARFSA-N 0 1 407.510 4.402 50 30 HIEAMN C=C(C)CN1CCN(c2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn32)CC1 ZINC000005268925 568964977 /nfs/dbraw/zinc/96/49/77/568964977.db2.gz LAPDXCKBPSZTNS-UHFFFAOYSA-N 0 1 415.463 4.422 50 30 HIEAMN C=CCn1c(C)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000012363843 568994737 /nfs/dbraw/zinc/99/47/37/568994737.db2.gz HDVNVOOZSGEFON-LGMDPLHJSA-N 0 1 419.481 4.106 50 30 HIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000006196419 569031413 /nfs/dbraw/zinc/03/14/13/569031413.db2.gz LBNZHPCQLFKZJB-NRFANRHFSA-N 0 1 409.482 4.009 50 30 HIEAMN C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000089518724 569062651 /nfs/dbraw/zinc/06/26/51/569062651.db2.gz LAQHTQDSSLYXKO-LBPRGKRZSA-N 0 1 401.315 4.159 50 30 HIEAMN C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000089518724 569062652 /nfs/dbraw/zinc/06/26/52/569062652.db2.gz LAQHTQDSSLYXKO-LBPRGKRZSA-N 0 1 401.315 4.159 50 30 HIEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccccc3)cnn1[C@@H]2c1ccncc1 ZINC000064775560 569093579 /nfs/dbraw/zinc/09/35/79/569093579.db2.gz GZXLLSIACBNACD-OAQYLSRUSA-N 0 1 413.481 4.189 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c(C)c1 ZINC000006720084 569097976 /nfs/dbraw/zinc/09/79/76/569097976.db2.gz PAGOYQSWHIFABE-QFIPXVFZSA-N 0 1 414.461 4.177 50 30 HIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000005490548 569323387 /nfs/dbraw/zinc/32/33/87/569323387.db2.gz JMBCCZMIHLVMBY-QFIPXVFZSA-N 0 1 414.461 4.177 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 ZINC000013161753 569410188 /nfs/dbraw/zinc/41/01/88/569410188.db2.gz NJGCSPASSSDPIT-FQEVSTJZSA-N 0 1 407.397 4.206 50 30 HIEAMN COc1ccc(/C=N\N=C2/NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000013370954 569412895 /nfs/dbraw/zinc/41/28/95/569412895.db2.gz MSCRTPOHJCSEKE-LIQPLZLLSA-N 0 1 408.310 4.166 50 30 HIEAMN C#CCN(Cc1ccco1)C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000023129347 518263045 /nfs/dbraw/zinc/26/30/45/518263045.db2.gz ITLNCMUWDKNYEY-UHFFFAOYSA-N 0 1 405.542 4.056 50 30 HIEAMN C=CCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccn1C)C1CCCC1 ZINC000036342440 518755323 /nfs/dbraw/zinc/75/53/23/518755323.db2.gz HMNSGRQDPMSARC-QHCPKHFHSA-N 0 1 408.521 4.273 50 30 HIEAMN CCCCN(C)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000032682601 520438114 /nfs/dbraw/zinc/43/81/14/520438114.db2.gz CDWCKMUPQUPQGS-HXUWFJFHSA-N 0 1 408.527 4.213 50 30 HIEAMN CCCCN(C)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032682607 520439226 /nfs/dbraw/zinc/43/92/26/520439226.db2.gz KANBHARSQWPVEJ-IBGZPJMESA-N 0 1 412.490 4.044 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1 ZINC000005490544 557657240 /nfs/dbraw/zinc/65/72/40/557657240.db2.gz PTYSQJROJTUCIN-NRFANRHFSA-N 0 1 402.425 4.308 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005595983 557664344 /nfs/dbraw/zinc/66/43/44/557664344.db2.gz GAFLVESTUGJJRT-OAQYLSRUSA-N 0 1 414.417 4.373 50 30 HIEAMN O=C(C=CNc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000006166253 557692486 /nfs/dbraw/zinc/69/24/86/557692486.db2.gz OWCIUBINRAVWJC-CCEZHUSRSA-N 0 1 423.450 4.204 50 30 HIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000006564494 557708204 /nfs/dbraw/zinc/70/82/04/557708204.db2.gz RJZBPGYCHGBPCB-LJQANCHMSA-N 0 1 415.873 4.433 50 30 HIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000006691031 557715313 /nfs/dbraw/zinc/71/53/13/557715313.db2.gz 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O=C(C=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1 ZINC000017729226 558827783 /nfs/dbraw/zinc/82/77/83/558827783.db2.gz YFJVWMHUPRGIQU-MDZDMXLPSA-N 0 1 419.915 4.406 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000005445716 560588239 /nfs/dbraw/zinc/58/82/39/560588239.db2.gz DYCJAJLLXVAAST-KRWDZBQOSA-N 0 1 410.426 4.074 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000005446324 560588295 /nfs/dbraw/zinc/58/82/95/560588295.db2.gz KKMOFVGAPJPDSA-QFIPXVFZSA-N 0 1 414.461 4.177 50 30 HIEAMN CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000102500445 560812536 /nfs/dbraw/zinc/81/25/36/560812536.db2.gz AMHFDDXUDLNIEZ-MRJHHRETSA-N 0 1 419.433 4.006 50 30 HIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102581791 560816954 /nfs/dbraw/zinc/81/69/54/560816954.db2.gz NUZQLUPBSUQMIH-GHNGSUTGSA-N 0 1 414.845 4.470 50 30 HIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OC)c1 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CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000006142417 569014354 /nfs/dbraw/zinc/01/43/54/569014354.db2.gz VZXDTSOMVXRVOU-SXOHWRJOSA-N 0 1 421.353 4.224 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000006294819 569038204 /nfs/dbraw/zinc/03/82/04/569038204.db2.gz DFRPEMVSVMQLLM-NRFANRHFSA-N 0 1 419.433 4.075 50 30 HIEAMN CCn1c2ccccc2c2cc(C=NN3C(=S)N=NC3c3cc(C)n[nH]3)ccc21 ZINC000006785934 569121860 /nfs/dbraw/zinc/12/18/60/569121860.db2.gz CPRYOLMVLYEMHD-WSDLNYQXSA-N 0 1 401.499 4.275 50 30 HIEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006813579 569136932 /nfs/dbraw/zinc/13/69/32/569136932.db2.gz TVJUWSBWUAFMJB-HKUYNNGSSA-N 0 1 415.848 4.236 50 30 HIEAMN COC(=O)c1ccc(N=Cc2cc(Cl)cc(I)c2O)cc1 ZINC000252594879 569296279 /nfs/dbraw/zinc/29/62/79/569296279.db2.gz BWQYQAHKUILPDE-UHFFFAOYSA-N 0 1 415.614 4.187 50 30 HIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O ZINC000002352996 569383564 /nfs/dbraw/zinc/38/35/64/569383564.db2.gz HZFOUUWXUMDLRU-IIGRLWHBSA-N 0 1 411.527 4.338 50 30 HIEAMN COc1ccc(/C=N\N=C2/NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000013370956 569412854 /nfs/dbraw/zinc/41/28/54/569412854.db2.gz MSCRTPOHJCSEKE-QZPXRHMKSA-N 0 1 408.310 4.166 50 30 HIEAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(C)c(OC)c1 ZINC000328594468 569415752 /nfs/dbraw/zinc/41/57/52/569415752.db2.gz MIIPKIVYHJNKIC-HXUWFJFHSA-N 0 1 407.514 4.431 50 30 HIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827569 571122524 /nfs/dbraw/zinc/12/25/24/571122524.db2.gz UDCQHKSPVXWESK-FQEVSTJZSA-N 0 1 422.437 4.456 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c1 ZINC000009046451 571215624 /nfs/dbraw/zinc/21/56/24/571215624.db2.gz IBNZBLINXRXMLA-NRFANRHFSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009272343 571244502 /nfs/dbraw/zinc/24/45/02/571244502.db2.gz CWAZOYCPMKGXHG-HXUWFJFHSA-N 0 1 418.405 4.275 50 30 HIEAMN C=CCN1CCc2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2[C@@H]1c1ccccc1 ZINC000034667416 518870831 /nfs/dbraw/zinc/87/08/31/518870831.db2.gz CCTNGFHXCJNXJK-CLOONOSVSA-N 0 1 416.521 4.497 50 30 HIEAMN C=C[C@@](C)(O)CN(CCC)Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1 ZINC000036206472 519298132 /nfs/dbraw/zinc/29/81/32/519298132.db2.gz SCQLSHLABFTSHY-HSZRJFAPSA-N 0 1 411.571 4.417 50 30 HIEAMN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cc([N+](=O)[O-])ccc1O ZINC000032523694 520257938 /nfs/dbraw/zinc/25/79/38/520257938.db2.gz JTUUCCVYIDSCRW-FPOVZHCZSA-N 0 1 416.433 4.343 50 30 HIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O ZINC000051366902 520896800 /nfs/dbraw/zinc/89/68/00/520896800.db2.gz HZFOUUWXUMDLRU-MJHJUBQXSA-N 0 1 411.527 4.338 50 30 HIEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611162 523344919 /nfs/dbraw/zinc/34/49/19/523344919.db2.gz LOEXTUMFTKFTCW-FMCGGJTJSA-N 0 1 415.445 4.369 50 30 HIEAMN COc1ccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022078538 523457741 /nfs/dbraw/zinc/45/77/41/523457741.db2.gz UGIIZKWTHJDDFZ-OOAXWGSJSA-N 0 1 415.537 4.445 50 30 HIEAMN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036427633 524105934 /nfs/dbraw/zinc/10/59/34/524105934.db2.gz MDQNTWSPJZSOSR-YWZLYKJASA-N 0 1 424.501 4.044 50 30 HIEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1C ZINC000032929425 525614568 /nfs/dbraw/zinc/61/45/68/525614568.db2.gz KCECLLVIZZSABT-UHFFFAOYSA-N 0 1 405.479 4.228 50 30 HIEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005595917 557664266 /nfs/dbraw/zinc/66/42/66/557664266.db2.gz PCYISRJYFQJHBD-IEBWSBKVSA-N 0 1 415.848 4.236 50 30 HIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000009358274 557839263 /nfs/dbraw/zinc/83/92/63/557839263.db2.gz XHMNTGHSVPMOLT-HXUWFJFHSA-N 0 1 422.412 4.304 50 30 HIEAMN CCOc1ccc(NC(=S)N[C@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022928348 558363897 /nfs/dbraw/zinc/36/38/97/558363897.db2.gz DOMCOOGTMDHXLE-GCJKJVERSA-N 0 1 412.603 4.160 50 30 HIEAMN CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000004395132 558486377 /nfs/dbraw/zinc/48/63/77/558486377.db2.gz PNURAVZITKDXID-IBGZPJMESA-N 0 1 408.479 4.186 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000016741317 558803552 /nfs/dbraw/zinc/80/35/52/558803552.db2.gz HWBLHMLUBPOWJX-OAQYLSRUSA-N 0 1 405.450 4.024 50 30 HIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c(OC)c1 ZINC000013653871 558851059 /nfs/dbraw/zinc/85/10/59/558851059.db2.gz FWTGKIXGYPRUSM-PWKYRQDESA-N 0 1 409.482 4.258 50 30 HIEAMN CCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000004955101 559216459 /nfs/dbraw/zinc/21/64/59/559216459.db2.gz CEJYWJSEJHZTLS-VDDKDFEESA-N 0 1 411.527 4.256 50 30 HIEAMN Cc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc1Cc1ccccc1 ZINC000005312427 560564218 /nfs/dbraw/zinc/56/42/18/560564218.db2.gz DDCYPNZDNWRFQI-UHFFFAOYSA-N 0 1 408.552 4.462 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000102797569 560827964 /nfs/dbraw/zinc/82/79/64/560827964.db2.gz NFVPJDRSKUCWOY-WOOAAIBNSA-N 0 1 408.841 4.258 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102875211 560830555 /nfs/dbraw/zinc/83/05/55/560830555.db2.gz UGYNOQFPAOTSEE-GHNGSUTGSA-N 0 1 420.292 4.452 50 30 HIEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102931969 560835622 /nfs/dbraw/zinc/83/56/22/560835622.db2.gz OXHIPGCTTURWAC-ZHHPLPSFSA-N 0 1 413.473 4.360 50 30 HIEAMN CCCC1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000005030637 560883695 /nfs/dbraw/zinc/88/36/95/560883695.db2.gz FOXYDHCYCFBZHT-ARGSHCIWSA-N 0 1 424.570 4.395 50 30 HIEAMN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1c1nc(-c2cccnc2)nc2ccccc21 ZINC000225609938 568775876 /nfs/dbraw/zinc/77/58/76/568775876.db2.gz ZMNDVRQLLJCYSE-LJQANCHMSA-N 0 1 420.520 4.274 50 30 HIEAMN COc1ccc(NC2=C[C@@](C)(O)[C@@H](C(C)=O)[C@@H](c3ccc(OC)cc3)C2C(C)=O)cc1 ZINC000004182732 568949310 /nfs/dbraw/zinc/94/93/10/568949310.db2.gz MSTZTORQVACHGQ-CCDWMCETSA-N 0 1 423.509 4.103 50 30 HIEAMN CN(C)c1ccc(/C=N\N=C2\NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000006142418 569014372 /nfs/dbraw/zinc/01/43/72/569014372.db2.gz VZXDTSOMVXRVOU-FIJRTHIRSA-N 0 1 421.353 4.224 50 30 HIEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000006294818 569038228 /nfs/dbraw/zinc/03/82/28/569038228.db2.gz DFRPEMVSVMQLLM-OAQYLSRUSA-N 0 1 419.433 4.075 50 30 HIEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)OCCO2 ZINC000013120603 569409579 /nfs/dbraw/zinc/40/95/79/569409579.db2.gz FDHJGVYETSGIRG-QGMBQPNBSA-N 0 1 413.065 4.439 50 30 HIEAMN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000009042057 571214961 /nfs/dbraw/zinc/21/49/61/571214961.db2.gz POGGKCNJQGHJHG-CYBMUJFWSA-N 0 1 424.913 4.390 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009272099 571244527 /nfs/dbraw/zinc/24/45/27/571244527.db2.gz MIHOZRQIFJGDMO-HXUWFJFHSA-N 0 1 418.405 4.275 50 30 HIEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1 ZINC000009435216 571258759 /nfs/dbraw/zinc/25/87/59/571258759.db2.gz AEYGVHLAXGJCJP-LJQANCHMSA-N 0 1 422.368 4.105 50 30 HIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1 ZINC000078549945 571313654 /nfs/dbraw/zinc/31/36/54/571313654.db2.gz ITWKNVAPHNIHTJ-JOCHJYFZSA-N 0 1 423.509 4.479 50 30 HIEAMN C=CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146870 518718021 /nfs/dbraw/zinc/71/80/21/518718021.db2.gz MVUJHDCNXBZWQZ-FYYLOGMGSA-N 0 1 412.505 4.157 50 30 HIEAMN CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101284738 520038691 /nfs/dbraw/zinc/03/86/91/520038691.db2.gz NFRRPFPXYRLTRX-LJQANCHMSA-N 0 1 413.478 4.379 50 30 HIEAMN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 ZINC000005408602 557651607 /nfs/dbraw/zinc/65/16/07/557651607.db2.gz JQZYNMAWONNQIA-QFIPXVFZSA-N 0 1 414.461 4.259 50 30 HIEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005596039 557664323 /nfs/dbraw/zinc/66/43/23/557664323.db2.gz YPCGKWCFZOJWOM-QGZVFWFLSA-N 0 1 409.804 4.052 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000005812688 557675793 /nfs/dbraw/zinc/67/57/93/557675793.db2.gz UXVFBPQEULIQRE-JOCHJYFZSA-N 0 1 414.461 4.177 50 30 HIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccccc2Cl)cc(OC)c1OC ZINC000006004638 557683896 /nfs/dbraw/zinc/68/38/96/557683896.db2.gz FQZMDTNKFNUQPY-KEBDBYFISA-N 0 1 404.879 4.169 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006786627 557721160 /nfs/dbraw/zinc/72/11/60/557721160.db2.gz QCFVKESBIREDPN-HXUWFJFHSA-N 0 1 407.397 4.206 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C ZINC000008902798 557813727 /nfs/dbraw/zinc/81/37/27/557813727.db2.gz SCESYDCSTKFUHC-HXUWFJFHSA-N 0 1 420.490 4.239 50 30 HIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)c1 ZINC000009046392 557820559 /nfs/dbraw/zinc/82/05/59/557820559.db2.gz RVJGBFDSPNFPAD-OAQYLSRUSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc3ccccc32)s1 ZINC000009085998 557821874 /nfs/dbraw/zinc/82/18/74/557821874.db2.gz HZVHCVRUAVFONP-SFHVURJKSA-N 0 1 417.446 4.376 50 30 HIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000009067662 557821906 /nfs/dbraw/zinc/82/19/06/557821906.db2.gz PPLIYUNJFHVJSW-JOCHJYFZSA-N 0 1 423.509 4.181 50 30 HIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1 ZINC000013212205 558525948 /nfs/dbraw/zinc/52/59/48/558525948.db2.gz NXLUGOAKYFPKCE-OAQYLSRUSA-N 0 1 416.433 4.018 50 30 HIEAMN C=CCOC[C@@H](O)CN(Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000004460037 558590386 /nfs/dbraw/zinc/59/03/86/558590386.db2.gz OVRYDRJSCUBSHS-DEOSSOPVSA-N 0 1 408.517 4.241 50 30 HIEAMN 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O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000009007507 557818579 /nfs/dbraw/zinc/81/85/79/557818579.db2.gz HGHAEKMRGQKFMZ-FQEVSTJZSA-N 0 1 421.884 4.205 50 30 HIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)cc1OC ZINC000013653793 558850850 /nfs/dbraw/zinc/85/08/50/558850850.db2.gz XJDVPTLSFIOCGR-VUZLNAKASA-N 0 1 409.482 4.400 50 30 HIEAMN CCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1 ZINC000005234001 560547955 /nfs/dbraw/zinc/54/79/55/560547955.db2.gz TWIDYLAPDLEPDY-VRMLFSPKSA-N 0 1 411.527 4.038 50 30 HIEAMN Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000005238226 560548670 /nfs/dbraw/zinc/54/86/70/560548670.db2.gz BCJWRGZXFBQEQK-UHFFFAOYSA-N 0 1 410.886 4.001 50 30 HIEAMN O=C(NC1C(=O)c2ccccc2C(=O)C1=Nc1ccc(Cl)cc1)c1ccccc1 ZINC000005525608 560604883 /nfs/dbraw/zinc/60/48/83/560604883.db2.gz XGOQZHCTKBHLGV-UHFFFAOYSA-N 0 1 402.837 4.473 50 30 HIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102401884 560810571 /nfs/dbraw/zinc/81/05/71/560810571.db2.gz QTIJXPOVLWVMBK-RXTQHAMCSA-N 0 1 405.494 4.411 50 30 HIEAMN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)C1 ZINC000102683400 560821298 /nfs/dbraw/zinc/82/12/98/560821298.db2.gz ASAOGVYYVSTGTP-SCTDSRPQSA-N 0 1 405.546 4.168 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102804130 560826783 /nfs/dbraw/zinc/82/67/83/560826783.db2.gz YMNYVQGHIWAMPM-WOOAAIBNSA-N 0 1 424.840 4.271 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(F)c2)cc1C ZINC000102875773 560830692 /nfs/dbraw/zinc/83/06/92/560830692.db2.gz HNUXTQFQOQRQLY-GHNGSUTGSA-N 0 1 424.453 4.226 50 30 HIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102858645 560831105 /nfs/dbraw/zinc/83/11/05/560831105.db2.gz WZQBOHJVNXODBF-GHNGSUTGSA-N 0 1 420.292 4.452 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F ZINC000102879329 560833520 /nfs/dbraw/zinc/83/35/20/560833520.db2.gz VYWXBKVYQTXKDL-NHFXJNLRSA-N 0 1 422.843 4.496 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)no1 ZINC000005800512 568735381 /nfs/dbraw/zinc/73/53/81/568735381.db2.gz OPCCBMYTGITFOG-SFHVURJKSA-N 0 1 410.813 4.125 50 30 HIEAMN C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000002751022 568806450 /nfs/dbraw/zinc/80/64/50/568806450.db2.gz DGNRVGPZXZKQQS-LBPRGKRZSA-N 0 1 410.886 4.494 50 30 HIEAMN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH2+]CC(=O)[O-] ZINC000004028942 568934222 /nfs/dbraw/zinc/93/42/22/568934222.db2.gz HDVCFXRYOTXWAY-RYSNXRDVSA-N 0 1 417.546 4.338 50 30 biogenic HIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000001451103 568986459 /nfs/dbraw/zinc/98/64/59/568986459.db2.gz JXJBWCVCIFYUKS-SFHVURJKSA-N 0 1 410.451 4.226 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006263285 569036003 /nfs/dbraw/zinc/03/60/03/569036003.db2.gz FTKMHSZGGQWSMI-NRFANRHFSA-N 0 1 409.482 4.043 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000006720095 569097987 /nfs/dbraw/zinc/09/79/87/569097987.db2.gz UQWDJJVOHGGINJ-OAQYLSRUSA-N 0 1 419.433 4.075 50 30 HIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1 ZINC000017147653 569275678 /nfs/dbraw/zinc/27/56/78/569275678.db2.gz QTIXVPFSMICETH-NRFANRHFSA-N 0 1 403.434 4.375 50 30 HIEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1cc(Br)ccc1F ZINC000006166199 569279684 /nfs/dbraw/zinc/27/96/84/569279684.db2.gz PBGNYMALTVTOHS-DJKKODMXSA-N 0 1 407.268 4.400 50 30 HIEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2O)cc1 ZINC000002223210 569313261 /nfs/dbraw/zinc/31/32/61/569313261.db2.gz KFLKTVNJBFCCJQ-VXLYETTFSA-N 0 1 419.304 4.357 50 30 HIEAMN CC1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002424720 569398353 /nfs/dbraw/zinc/39/83/53/569398353.db2.gz STKWQYPHHPOZBG-HXUWFJFHSA-N 0 1 424.501 4.044 50 30 HIEAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(C)c(OC)c1 ZINC000328594467 569415769 /nfs/dbraw/zinc/41/57/69/569415769.db2.gz MIIPKIVYHJNKIC-FQEVSTJZSA-N 0 1 407.514 4.431 50 30 HIEAMN C=CCC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146867 518717415 /nfs/dbraw/zinc/71/74/15/518717415.db2.gz MVUJHDCNXBZWQZ-GGAORHGYSA-N 0 1 412.505 4.157 50 30 HIEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 ZINC000028286899 519088834 /nfs/dbraw/zinc/08/88/34/519088834.db2.gz ZFSSMYXBDJULIA-JTQLQIEISA-N 0 1 400.485 4.047 50 30 HIEAMN Cc1csc([C@@H](C#N)C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)n1 ZINC000048787883 526402781 /nfs/dbraw/zinc/40/27/81/526402781.db2.gz MZJXKADOBASEDK-SFHVURJKSA-N 0 1 402.479 4.477 50 30 HIEAMN Cc1csc(C(C#N)C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)n1 ZINC000048787883 526402787 /nfs/dbraw/zinc/40/27/87/526402787.db2.gz MZJXKADOBASEDK-SFHVURJKSA-N 0 1 402.479 4.477 50 30 HIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2OC)cc1 ZINC000001473638 557269454 /nfs/dbraw/zinc/26/94/54/557269454.db2.gz NXSONVGSGHNKHH-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 ZINC000005583961 557663389 /nfs/dbraw/zinc/66/33/89/557663389.db2.gz YBPCCROFNYOOMT-OAQYLSRUSA-N 0 1 402.425 4.308 50 30 HIEAMN COc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000020100457 558331874 /nfs/dbraw/zinc/33/18/74/558331874.db2.gz UGIIZKWTHJDDFZ-NHFJDJAPSA-N 0 1 415.537 4.445 50 30 HIEAMN CCOc1ccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022928344 558363969 /nfs/dbraw/zinc/36/39/69/558363969.db2.gz DOMCOOGTMDHXLE-AVRDEDQJSA-N 0 1 412.603 4.160 50 30 HIEAMN CN(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000012843814 558478678 /nfs/dbraw/zinc/47/86/78/558478678.db2.gz WJZBJGAIQHLMNQ-CNPYVQQSSA-N 0 1 421.353 4.224 50 30 HIEAMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(Cc2ccccc2)C(C)C)c1C#N ZINC000010931087 558581353 /nfs/dbraw/zinc/58/13/53/558581353.db2.gz IQRQCEGIQVLSBP-UHFFFAOYSA-N 0 1 404.514 4.467 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1F ZINC000016729240 558802198 /nfs/dbraw/zinc/80/21/98/558802198.db2.gz DNZSQIZGOPROJC-OAQYLSRUSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1cccc(NC(=O)C(=NNc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c1 ZINC000016745587 558804392 /nfs/dbraw/zinc/80/43/92/558804392.db2.gz CWJFTXIICRHNOG-QYQHSDTDSA-N 0 1 415.449 4.056 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C ZINC000017146166 558824075 /nfs/dbraw/zinc/82/40/75/558824075.db2.gz NVERUWAYXLGFEX-JOCHJYFZSA-N 0 1 414.461 4.177 50 30 HIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1OC ZINC000013653801 558850885 /nfs/dbraw/zinc/85/08/85/558850885.db2.gz HDXWJGFKVFUHGT-SRMCNWIXSA-N 0 1 409.482 4.258 50 30 HIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000013653587 558850941 /nfs/dbraw/zinc/85/09/41/558850941.db2.gz CGJFEVFJSCQNMC-SRMCNWIXSA-N 0 1 409.482 4.400 50 30 HIEAMN CCOC(=O)c1ccc(CC2S/C(=N/N=C/c3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000004754376 559050867 /nfs/dbraw/zinc/05/08/67/559050867.db2.gz UIHUWLVNFSZAGV-PGLVWIQMSA-N 0 1 423.538 4.151 50 30 HIEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)c(C#N)c1C ZINC000100026786 559111172 /nfs/dbraw/zinc/11/11/72/559111172.db2.gz KKNYYGUAZDFHGI-GZTJUZNOSA-N 0 1 408.483 4.132 50 30 HIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000005490613 560597436 /nfs/dbraw/zinc/59/74/36/560597436.db2.gz JMBCCZMIHLVMBY-JOCHJYFZSA-N 0 1 414.461 4.177 50 30 HIEAMN CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101284731 560790597 /nfs/dbraw/zinc/79/05/97/560790597.db2.gz ASBLWFPZXZNTLX-LJQANCHMSA-N 0 1 413.478 4.379 50 30 HIEAMN COc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102579047 560816847 /nfs/dbraw/zinc/81/68/47/560816847.db2.gz FVUALOSPKKEIAI-ZHHPLPSFSA-N 0 1 413.473 4.360 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102804048 560826758 /nfs/dbraw/zinc/82/67/58/560826758.db2.gz GYPKJIZLCZEMQS-IBOXJLQUSA-N 0 1 400.843 4.324 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102806125 560827312 /nfs/dbraw/zinc/82/73/12/560827312.db2.gz MVINXHQASGCIEC-UYTDBDHRSA-N 0 1 400.843 4.324 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102799673 560828280 /nfs/dbraw/zinc/82/82/80/560828280.db2.gz QSJKYWMDOUAITG-MRJHHRETSA-N 0 1 423.509 4.061 50 30 HIEAMN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000108155841 560898225 /nfs/dbraw/zinc/89/82/25/560898225.db2.gz AYUWBYOVTNSKMM-KOSHJBKYSA-N 0 1 403.530 4.073 50 30 HIEAMN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000046141270 568429728 /nfs/dbraw/zinc/42/97/28/568429728.db2.gz BUSKESGJMFNATH-UHFFFAOYSA-N 0 1 422.491 4.446 50 30 HIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000000837273 568514849 /nfs/dbraw/zinc/51/48/49/568514849.db2.gz XREZHCRBWZQGBU-OALUTQOASA-N 0 1 407.271 4.235 50 30 HIEAMN O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 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COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006263270 569035975 /nfs/dbraw/zinc/03/59/75/569035975.db2.gz FTKMHSZGGQWSMI-OAQYLSRUSA-N 0 1 409.482 4.043 50 30 HIEAMN COc1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCCC2)cc1 ZINC000035673063 569048627 /nfs/dbraw/zinc/04/86/27/569048627.db2.gz QWGLOLNXRQYVMW-OAQYLSRUSA-N 0 1 403.486 4.256 50 30 HIEAMN N=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)CC(c1ccccc1)c1ccccc1 ZINC000004906656 569071673 /nfs/dbraw/zinc/07/16/73/569071673.db2.gz ATHKOEDAMCFGMP-UHFFFAOYSA-N 0 1 403.438 4.175 50 30 HIEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Cc3cc(Cl)ccc3O)cc2)n1 ZINC000252635926 569317290 /nfs/dbraw/zinc/31/72/90/569317290.db2.gz XCCUSEOASDERON-UHFFFAOYSA-N 0 1 416.890 4.004 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008739719 571110218 /nfs/dbraw/zinc/11/02/18/571110218.db2.gz MEBWJBZRJYEVPS-LJQANCHMSA-N 0 1 424.840 4.428 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1 ZINC000009240790 571240786 /nfs/dbraw/zinc/24/07/86/571240786.db2.gz SSADOHHUKNRCFT-NHFXJNLRSA-N 0 1 424.884 4.070 50 30 HIEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(C(C)C)cc2)O3)CC1 ZINC000022575557 521687272 /nfs/dbraw/zinc/68/72/72/521687272.db2.gz FAMGBHBYCZSLIS-HAHDFKILSA-N 0 1 406.526 4.269 50 30 HIEAMN COc1ccccc1-c1n[nH]c(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)n1 ZINC000048333348 524276550 /nfs/dbraw/zinc/27/65/50/524276550.db2.gz YUUCOVIMDFRMRM-GOSISDBHSA-N 0 1 403.442 4.033 50 30 HIEAMN COc1ccc(OC)c(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)c1 ZINC000001478451 524802023 /nfs/dbraw/zinc/80/20/23/524802023.db2.gz MXTCIMWGNBEIDJ-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)c1OC ZINC000001115692 557186935 /nfs/dbraw/zinc/18/69/35/557186935.db2.gz LRRKSNCSIUTZDG-VXLYETTFSA-N 0 1 419.304 4.270 50 30 HIEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2C)cc(Br)c1O ZINC000001240654 557250668 /nfs/dbraw/zinc/25/06/68/557250668.db2.gz SZATXNSPDNFDEZ-DJKKODMXSA-N 0 1 419.304 4.275 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001446544 557266503 /nfs/dbraw/zinc/26/65/03/557266503.db2.gz KYNISLDGEBSIKY-NRFANRHFSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1nn(CCC(=N)NOC(=O)c2ccccc2)c(C)c1Oc1ccc(Cl)cc1 ZINC000004394739 557551526 /nfs/dbraw/zinc/55/15/26/557551526.db2.gz GTIMPCCTWJRQDI-UHFFFAOYSA-N 0 1 412.877 4.465 50 30 HIEAMN N=C(Nc1ccccc1)S[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000004530574 557564067 /nfs/dbraw/zinc/56/40/67/557564067.db2.gz XYIKBYPWWYURGB-CQSZACIVSA-N 0 1 402.734 4.492 50 30 HIEAMN Cc1ccc(C(=N)NOC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000006797690 557721672 /nfs/dbraw/zinc/72/16/72/557721672.db2.gz JQEDLYTZCONBMF-UHFFFAOYSA-N 0 1 405.292 4.123 50 30 HIEAMN CCOc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2Br)ccc1O ZINC000009356673 557839076 /nfs/dbraw/zinc/83/90/76/557839076.db2.gz ZZTGJMZWHZGFEL-VXLYETTFSA-N 0 1 419.304 4.357 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019882649 558301545 /nfs/dbraw/zinc/30/15/45/558301545.db2.gz AZKNGFIAYXNBGA-GOSISDBHSA-N 0 1 419.308 4.133 50 30 HIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016700797 558801546 /nfs/dbraw/zinc/80/15/46/558801546.db2.gz JEIARKPWAXJFEA-OAQYLSRUSA-N 0 1 409.482 4.009 50 30 HIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000013570460 558844473 /nfs/dbraw/zinc/84/44/73/558844473.db2.gz HSNGYUXQCGISBC-LJQANCHMSA-N 0 1 424.840 4.428 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccs1 ZINC000008740947 559064647 /nfs/dbraw/zinc/06/46/47/559064647.db2.gz YRUQBFFKIARYOL-IBGZPJMESA-N 0 1 415.511 4.068 50 30 HIEAMN COC(=O)c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1N1CCOCC1 ZINC000098086854 559065062 /nfs/dbraw/zinc/06/50/62/559065062.db2.gz HGZLJENKRYQNDD-SSDVNMTOSA-N 0 1 409.269 4.073 50 30 HIEAMN COc1cc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)cc(Br)c1O ZINC000009463449 559075773 /nfs/dbraw/zinc/07/57/73/559075773.db2.gz DDHSMYXINOFXSY-UFWORHAWSA-N 0 1 423.267 4.106 50 30 HIEAMN CCCC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000004898294 559199177 /nfs/dbraw/zinc/19/91/77/559199177.db2.gz VCHFDMLVDMNIGJ-JOHJSAGNSA-N 0 1 414.462 4.368 50 30 HIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O ZINC000004936388 559211058 /nfs/dbraw/zinc/21/10/58/559211058.db2.gz XEXLJSHWDUUMJS-MJHJUBQXSA-N 0 1 411.527 4.338 50 30 HIEAMN Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000005238230 560548597 /nfs/dbraw/zinc/54/85/97/560548597.db2.gz VTMLPAZFABBFGX-UHFFFAOYSA-N 0 1 410.886 4.001 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1 ZINC000005491275 560597529 /nfs/dbraw/zinc/59/75/29/560597529.db2.gz LMXPZIHWAYOCLK-PBHICJAKSA-N 0 1 403.887 4.159 50 30 HIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000018056831 560774195 /nfs/dbraw/zinc/77/41/95/560774195.db2.gz LCKPCXIDAWZOIA-OAQYLSRUSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)no1 ZINC000102530126 560813177 /nfs/dbraw/zinc/81/31/77/560813177.db2.gz CYPXKHXWWYJNDO-GHNGSUTGSA-N 0 1 412.804 4.402 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)no1 ZINC000102530126 560813178 /nfs/dbraw/zinc/81/31/78/560813178.db2.gz CYPXKHXWWYJNDO-GHNGSUTGSA-N 0 1 412.804 4.402 50 30 HIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000102702233 560820325 /nfs/dbraw/zinc/82/03/25/560820325.db2.gz MURBHCDFLGBRKF-WOOAAIBNSA-N 0 1 424.840 4.271 50 30 HIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102725858 560821747 /nfs/dbraw/zinc/82/17/47/560821747.db2.gz VOCWVNDDXDGXRT-GHNGSUTGSA-N 0 1 410.451 4.070 50 30 HIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102804210 560826805 /nfs/dbraw/zinc/82/68/05/560826805.db2.gz ROBHNEYCHKOJPO-MOBKVPTQSA-N 0 1 423.509 4.024 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102877606 560833370 /nfs/dbraw/zinc/83/33/70/560833370.db2.gz CDQZVYOQDAXVJR-JBCNATCCSA-N 0 1 407.510 4.361 50 30 HIEAMN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012259798 568456593 /nfs/dbraw/zinc/45/65/93/568456593.db2.gz HMLAWNFGGBKOIK-LLVKDONJSA-N 0 1 403.577 4.424 50 30 HIEAMN COc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)ccc1OCCc1ccccc1 ZINC000000948192 568754843 /nfs/dbraw/zinc/75/48/43/568754843.db2.gz XONTVRPZLIDDJQ-FSJBWODESA-N 0 1 422.432 4.098 50 30 HIEAMN COC(=O)[C@H]1C(=O)CC(=Nc2sc3c(c2C#N)CCCC3)C[C@@H]1c1ccccc1 ZINC000001079980 568767510 /nfs/dbraw/zinc/76/75/10/568767510.db2.gz GIAFOBGYEXCECD-DYESRHJHSA-N 0 1 406.507 4.340 50 30 HIEAMN C=CCOc1c(Br)cc(CNCc2ccc3c(c2)OCO3)cc1OC ZINC000008470096 568978885 /nfs/dbraw/zinc/97/88/85/568978885.db2.gz PKTFKVBUNNITDB-UHFFFAOYSA-N 0 1 406.276 4.041 50 30 HIEAMN C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000013897948 569001107 /nfs/dbraw/zinc/00/11/07/569001107.db2.gz DQZDYRJIJVFJEB-WQRHYEAKSA-N 0 1 412.873 4.227 50 30 HIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1Br ZINC000005433007 569071985 /nfs/dbraw/zinc/07/19/85/569071985.db2.gz JOKXIXMCXSLECA-DJKKODMXSA-N 0 1 407.268 4.400 50 30 HIEAMN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c1C#N ZINC000239432776 569233877 /nfs/dbraw/zinc/23/38/77/569233877.db2.gz WJZJCVIFLLEKRI-OFNKIYASSA-N 0 1 420.557 4.104 50 30 HIEAMN Cc1ccc(S(=O)(=O)c2nc(C=[NH+][N-]c3ccccc3)oc2N2CCCCC2)cc1 ZINC000009909317 569251666 /nfs/dbraw/zinc/25/16/66/569251666.db2.gz HRZIQFVJTIYUCT-XQNSMLJCSA-N 0 1 424.526 4.252 50 30 HIEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)cc(Br)c1O ZINC000001478880 569282358 /nfs/dbraw/zinc/28/23/58/569282358.db2.gz DYERTNZATLEXPF-DJKKODMXSA-N 0 1 419.304 4.275 50 30 HIEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)C(=NO)[C@H]2C)cc1OC ZINC000005574561 569356914 /nfs/dbraw/zinc/35/69/14/569356914.db2.gz LDBBYHGSBIPQDA-HTCLFZTJSA-N 0 1 414.502 4.209 50 30 HIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008743607 571110954 /nfs/dbraw/zinc/11/09/54/571110954.db2.gz NWTIDBJLCIGLBN-IBGZPJMESA-N 0 1 424.840 4.428 50 30 HIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1 ZINC000008914271 571150294 /nfs/dbraw/zinc/15/02/94/571150294.db2.gz CEPLLPHVXACQFL-OAQYLSRUSA-N 0 1 418.424 4.008 50 30 HIEAMN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000009042058 571214951 /nfs/dbraw/zinc/21/49/51/571214951.db2.gz POGGKCNJQGHJHG-ZDUSSCGKSA-N 0 1 424.913 4.390 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000009070995 571218449 /nfs/dbraw/zinc/21/84/49/571218449.db2.gz DHNAGVVHMJTHPC-NHFXJNLRSA-N 0 1 424.884 4.070 50 30 HIEAMN C=CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CC=C)c1 ZINC000012063462 519062424 /nfs/dbraw/zinc/06/24/24/519062424.db2.gz QQJODHMLMYDHSR-QHCPKHFHSA-N 0 1 401.466 4.387 50 30 HIEAMN C=CCn1c(C)nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022816363 519172460 /nfs/dbraw/zinc/17/24/60/519172460.db2.gz BHKMOEQYRCAZNP-UHFFFAOYSA-N 0 1 419.598 4.273 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000051366841 523606313 /nfs/dbraw/zinc/60/63/13/523606313.db2.gz CEJYWJSEJHZTLS-GIUUDRRCSA-N 0 1 411.527 4.256 50 30 HIEAMN CC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000035146801 525069579 /nfs/dbraw/zinc/06/95/79/525069579.db2.gz MVEYBBWMMSBPHV-VEUNDLRXSA-N 0 1 420.307 4.442 50 30 HIEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)c(OC)c3)[C@H](C)C(=NO)[C@@H]2C)cc1OC ZINC000036270276 525265726 /nfs/dbraw/zinc/26/57/26/525265726.db2.gz LDBBYHGSBIPQDA-DWAZAOQOSA-N 0 1 414.502 4.209 50 30 HIEAMN Cc1ccc(C(=N)NOC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000005065520 557633623 /nfs/dbraw/zinc/63/36/23/557633623.db2.gz KPJZJSDPXHIATC-UHFFFAOYSA-N 0 1 413.271 4.153 50 30 HIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005595984 557664258 /nfs/dbraw/zinc/66/42/58/557664258.db2.gz KJNJKKHVFWZCAZ-OAQYLSRUSA-N 0 1 414.417 4.373 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000006781560 557720765 /nfs/dbraw/zinc/72/07/65/557720765.db2.gz RTAYVFRIVMCGHD-NRFANRHFSA-N 0 1 423.509 4.217 50 30 HIEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000013653816 558558317 /nfs/dbraw/zinc/55/83/17/558558317.db2.gz UUVNITKCSVJHDM-YOFPLDQWSA-N 0 1 407.466 4.215 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000018354727 558835632 /nfs/dbraw/zinc/83/56/32/558835632.db2.gz CWGYURFGHFWNOE-QFIPXVFZSA-N 0 1 406.526 4.258 50 30 HIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000013570326 558844439 /nfs/dbraw/zinc/84/44/39/558844439.db2.gz IAWKDSTXODOGQX-LJQANCHMSA-N 0 1 408.410 4.066 50 30 HIEAMN Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000005238234 560548684 /nfs/dbraw/zinc/54/86/84/560548684.db2.gz GHFGBDGZZWRQCY-UHFFFAOYSA-N 0 1 410.886 4.001 50 30 HIEAMN COc1ccc([C@H]2c3c(C)n[nH]c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1O ZINC000018198333 560783497 /nfs/dbraw/zinc/78/34/97/560783497.db2.gz IOPGHBKHZCAHAI-XCLFUZPHSA-N 0 1 407.495 4.452 50 30 HIEAMN Cc1nn(C)cc1C=NN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102734890 560822683 /nfs/dbraw/zinc/82/26/83/560822683.db2.gz KVXQXBGSDZYDGA-ZPYHNVIJSA-N 0 1 412.906 4.101 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102805397 560827126 /nfs/dbraw/zinc/82/71/26/560827126.db2.gz VTTJVFBBZNGIMP-NHFXJNLRSA-N 0 1 422.412 4.065 50 30 HIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1 ZINC000102874741 560830433 /nfs/dbraw/zinc/83/04/33/560830433.db2.gz TXTJODRPFTZDKC-MRJHHRETSA-N 0 1 403.434 4.219 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000102880491 560833754 /nfs/dbraw/zinc/83/37/54/560833754.db2.gz RRPFNDADZWPQMQ-NHFXJNLRSA-N 0 1 421.884 4.049 50 30 HIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 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C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101314070 560791513 /nfs/dbraw/zinc/79/15/13/560791513.db2.gz QSGJJKRQODVVRY-LFVOPCPISA-N 0 1 422.462 4.236 50 30 HIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401939 560810664 /nfs/dbraw/zinc/81/06/64/560810664.db2.gz CWLIPUQOONQPCG-CNVXJRLLSA-N 0 1 411.523 4.472 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102804812 560826926 /nfs/dbraw/zinc/82/69/26/560826926.db2.gz OBZCHXSCNGSONE-NHFXJNLRSA-N 0 1 418.380 4.495 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1 ZINC000102861945 560832127 /nfs/dbraw/zinc/83/21/27/560832127.db2.gz LMXMEZMBNVWMQZ-ILCKISKLSA-N 0 1 403.887 4.002 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929599 560835428 /nfs/dbraw/zinc/83/54/28/560835428.db2.gz PGQFWJPXDANGEO-YDJIHCHBSA-N 0 1 418.405 4.118 50 30 HIEAMN 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569031376 /nfs/dbraw/zinc/03/13/76/569031376.db2.gz LBNZHPCQLFKZJB-OAQYLSRUSA-N 0 1 409.482 4.009 50 30 HIEAMN C=CCC[C@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000169677618 569039139 /nfs/dbraw/zinc/03/91/39/569039139.db2.gz MVUJHDCNXBZWQZ-GMAHTHKFSA-N 0 1 412.505 4.157 50 30 HIEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1F ZINC000005893739 569072063 /nfs/dbraw/zinc/07/20/63/569072063.db2.gz MGELXZLYUXXNPN-DJKKODMXSA-N 0 1 407.268 4.400 50 30 HIEAMN Brc1ccc(OCCn2cc(C=Nc3nnc[nH]3)c3ccccc32)cc1 ZINC000006616437 569074731 /nfs/dbraw/zinc/07/47/31/569074731.db2.gz LIPJNVJQZQMAKG-SRZZPIQSSA-N 0 1 410.275 4.352 50 30 HIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006620754 569074856 /nfs/dbraw/zinc/07/48/56/569074856.db2.gz ICWMCMNEKIVHTL-NRFANRHFSA-N 0 1 409.482 4.391 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000002355467 569385362 /nfs/dbraw/zinc/38/53/62/569385362.db2.gz CEJYWJSEJHZTLS-WTLZDUFCSA-N 0 1 411.527 4.256 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009272100 571244519 /nfs/dbraw/zinc/24/45/19/571244519.db2.gz MIHOZRQIFJGDMO-FQEVSTJZSA-N 0 1 418.405 4.275 50 30 HIEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000009324639 571248212 /nfs/dbraw/zinc/24/82/12/571248212.db2.gz UOJRDEIUMARCGB-IBGZPJMESA-N 0 1 409.825 4.417 50 30 HIEAMN Cc1nc2ccccn2c1C=NN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000254303931 854210450 /nfs/dbraw/zinc/21/04/50/854210450.db2.gz NZWGFGCMXGFNEM-UHFFFAOYSA-N 0 1 409.537 4.384 50 30 HIEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc2c(c1)OCCO2 ZINC000254405223 854211287 /nfs/dbraw/zinc/21/12/87/854211287.db2.gz YJUXMRQATOCVAQ-UHFFFAOYSA-N 0 1 411.505 4.179 50 30 HIEAMN CC(C)CNc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828795 519749824 /nfs/dbraw/zinc/74/98/24/519749824.db2.gz KACYFWAQSXTGEK-GOSISDBHSA-N 0 1 414.918 4.390 50 30 HIEAMN CCC[C@H](C)Nc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829267 521062274 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415.848 4.236 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000005818304 557676260 /nfs/dbraw/zinc/67/62/60/557676260.db2.gz GNCDVUBONBOQJP-QGZVFWFLSA-N 0 1 409.442 4.077 50 30 HIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000006691032 557715308 /nfs/dbraw/zinc/71/53/08/557715308.db2.gz OHKWUMRDWBXIFC-RHSMWYFYSA-N 0 1 403.887 4.159 50 30 HIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000009007711 557818877 /nfs/dbraw/zinc/81/88/77/557818877.db2.gz TUHUEVPKXLFYCH-DJKKODMXSA-N 0 1 419.850 4.069 50 30 HIEAMN COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc([N+](=O)[O-])c1O ZINC000015016584 558702249 /nfs/dbraw/zinc/70/22/49/558702249.db2.gz KEMGJJKGZAIJPM-QPEQYQDCSA-N 0 1 402.453 4.213 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1F ZINC000016729244 558802192 /nfs/dbraw/zinc/80/21/92/558802192.db2.gz DNZSQIZGOPROJC-NRFANRHFSA-N 0 1 418.424 4.008 50 30 HIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 ZINC000016732445 558802416 /nfs/dbraw/zinc/80/24/16/558802416.db2.gz QFOYKUIBJIQMIW-IFMALSPDSA-N 0 1 419.477 4.009 50 30 HIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000013552801 558843447 /nfs/dbraw/zinc/84/34/47/558843447.db2.gz AWNYTZUTPAMTBC-HXUWFJFHSA-N 0 1 422.412 4.304 50 30 HIEAMN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000013653820 558851108 /nfs/dbraw/zinc/85/11/08/558851108.db2.gz GGSMOFWEZDPHKD-MNAFEPAFSA-N 0 1 407.466 4.169 50 30 HIEAMN CCCCCCCCCCCCCCCCn1c2c([nH]c1=NN)n(C)c(=O)[nH]c2=O ZINC000097949461 558983872 /nfs/dbraw/zinc/98/38/72/558983872.db2.gz FYYKCDCNQJQMOY-UHFFFAOYSA-N 0 1 420.602 4.190 50 30 HIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004889133 559197737 /nfs/dbraw/zinc/19/77/37/559197737.db2.gz WMVWANYBUHFNCK-ZNVYLOEZSA-N 0 1 411.527 4.338 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1 ZINC000005491266 560597544 /nfs/dbraw/zinc/59/75/44/560597544.db2.gz LMXPZIHWAYOCLK-WMLDXEAASA-N 0 1 403.887 4.159 50 30 HIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CC(C)C)ccc1O ZINC000018067414 560774621 /nfs/dbraw/zinc/77/46/21/560774621.db2.gz SVAISUDVKHCHPA-NRFANRHFSA-N 0 1 409.482 4.334 50 30 HIEAMN COc1ccc([C@@H]2c3c(C)n[nH]c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1O ZINC000018198335 560783487 /nfs/dbraw/zinc/78/34/87/560783487.db2.gz IOPGHBKHZCAHAI-ZUOKHONESA-N 0 1 407.495 4.452 50 30 HIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000102495215 560812280 /nfs/dbraw/zinc/81/22/80/560812280.db2.gz BVDMCHIWPPTVAG-GHNGSUTGSA-N 0 1 424.478 4.378 50 30 HIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804396 560826753 /nfs/dbraw/zinc/82/67/53/560826753.db2.gz DGCUMNFNVJEZKO-LFVOPCPISA-N 0 1 424.840 4.271 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccs2)no1 ZINC000102804278 560826840 /nfs/dbraw/zinc/82/68/40/560826840.db2.gz WXIQSQGZKMOHDF-UYTDBDHRSA-N 0 1 400.843 4.324 50 30 HIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804926 560826985 /nfs/dbraw/zinc/82/69/85/560826985.db2.gz LNZSTZFHEXYMOV-NHFXJNLRSA-N 0 1 422.412 4.147 50 30 HIEAMN COCCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102799060 560828193 /nfs/dbraw/zinc/82/81/93/560828193.db2.gz VNVHSDQGIMZGKY-DPEHCCBOSA-N 0 1 412.294 4.123 50 30 HIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1 ZINC000102874745 560830459 /nfs/dbraw/zinc/83/04/59/560830459.db2.gz TXTJODRPFTZDKC-JBCNATCCSA-N 0 1 403.434 4.219 50 30 HIEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102881357 560833764 /nfs/dbraw/zinc/83/37/64/560833764.db2.gz XSXUBWFVAGHDNT-MRJHHRETSA-N 0 1 414.417 4.217 50 30 HIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000104190782 560849696 /nfs/dbraw/zinc/84/96/96/560849696.db2.gz 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COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)c1 ZINC000008022742 568968905 /nfs/dbraw/zinc/96/89/05/568968905.db2.gz AYVPAXCKSFZXMD-OAQYLSRUSA-N 0 1 409.482 4.089 50 30 HIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000001464673 568990073 /nfs/dbraw/zinc/99/00/73/568990073.db2.gz RGSQAEJUZDMOSN-AWEZNQCLSA-N 0 1 417.899 4.344 50 30 HIEAMN CC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000006129722 569014109 /nfs/dbraw/zinc/01/41/09/569014109.db2.gz YJRGBBKBPXHOLB-RVYXMPNASA-N 0 1 402.317 4.303 50 30 HIEAMN C[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000089518726 569062642 /nfs/dbraw/zinc/06/26/42/569062642.db2.gz LAQHTQDSSLYXKO-GFCCVEGCSA-N 0 1 401.315 4.159 50 30 HIEAMN C[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000089518726 569062643 /nfs/dbraw/zinc/06/26/43/569062643.db2.gz LAQHTQDSSLYXKO-GFCCVEGCSA-N 0 1 401.315 4.159 50 30 HIEAMN N#Cc1ccccc1CSCCNC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000006586306 569067713 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HIEAMN N#Cc1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009714714 571281455 /nfs/dbraw/zinc/28/14/55/571281455.db2.gz FCWLGRCOVLCXOZ-UHFFFAOYSA-N 0 1 417.899 4.326 50 30 HIEAMN CC(C)Nc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828632 519741712 /nfs/dbraw/zinc/74/17/12/519741712.db2.gz UIURYTHGPYCJOI-KRWDZBQOSA-N 0 1 400.891 4.142 50 30 HIEAMN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1O ZINC000032523692 520257965 /nfs/dbraw/zinc/25/79/65/520257965.db2.gz JTUUCCVYIDSCRW-CTNGQTDRSA-N 0 1 416.433 4.343 50 30 HIEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccnc3)sc2c1 ZINC000027987626 526252058 /nfs/dbraw/zinc/25/20/58/526252058.db2.gz PVUPTRRRALAORK-GOSISDBHSA-N 0 1 417.446 4.376 50 30 HIEAMN N#CCc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000037200152 526486185 /nfs/dbraw/zinc/48/61/85/526486185.db2.gz FVZKVDRHTNVDGR-JTSKRJEESA-N 0 1 410.564 4.263 50 30 HIEAMN COc1cc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc(Br)c1O ZINC000001282667 557253552 /nfs/dbraw/zinc/25/35/52/557253552.db2.gz UTOLQRVJNWFUSN-GIJQJNRQSA-N 0 1 411.325 4.347 50 30 HIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)Cl)cc1COc1ccccc1 ZINC000002791634 557764306 /nfs/dbraw/zinc/76/43/06/557764306.db2.gz MSWVGCMODUPWQO-LSHDLFTRSA-N 0 1 424.860 4.325 50 30 HIEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008467977 557791701 /nfs/dbraw/zinc/79/17/01/557791701.db2.gz LLHFLLSTSHSUBP-FQEVSTJZSA-N 0 1 412.917 4.097 50 30 HIEAMN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008467977 557791703 /nfs/dbraw/zinc/79/17/03/557791703.db2.gz LLHFLLSTSHSUBP-FQEVSTJZSA-N 0 1 412.917 4.097 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008715665 557801284 /nfs/dbraw/zinc/80/12/84/557801284.db2.gz OBGANYMUPTWEDK-HRAATJIYSA-N 0 1 407.510 4.252 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000008738595 557803280 /nfs/dbraw/zinc/80/32/80/557803280.db2.gz ZZCRSWXTUFEWER-INIZCTEOSA-N 0 1 400.843 4.481 50 30 HIEAMN COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 ZINC000012466163 558420488 /nfs/dbraw/zinc/42/04/88/558420488.db2.gz ZXSQYSLSXKOQFO-OVVQPSECSA-N 0 1 413.521 4.425 50 30 HIEAMN CN(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000016713106 558801902 /nfs/dbraw/zinc/80/19/02/558801902.db2.gz VZXDTSOMVXRVOU-ZTBJCTOSSA-N 0 1 421.353 4.224 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(O)cc2)cc1F ZINC000016732947 558802436 /nfs/dbraw/zinc/80/24/36/558802436.db2.gz JIKLXRPYHODEAT-NRFANRHFSA-N 0 1 418.424 4.013 50 30 HIEAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)C(=NO)[C@@H]2C)cc1OC ZINC000017143609 558823872 /nfs/dbraw/zinc/82/38/72/558823872.db2.gz LDBBYHGSBIPQDA-WOAINMAKSA-N 0 1 414.502 4.209 50 30 HIEAMN COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)S1 ZINC000018208994 558833592 /nfs/dbraw/zinc/83/35/92/558833592.db2.gz KRSSYKLCVBBKEU-PPAWOMOGSA-N 0 1 408.310 4.166 50 30 HIEAMN 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ZINC000005520039 560603229 /nfs/dbraw/zinc/60/32/29/560603229.db2.gz ZNYWJLJCXRHWJR-UHFFFAOYSA-N 0 1 409.540 4.323 50 30 HIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC(C)C)ccc1O ZINC000018126753 560779217 /nfs/dbraw/zinc/77/92/17/560779217.db2.gz VMUHQUVORUTNKF-LJQANCHMSA-N 0 1 415.873 4.289 50 30 HIEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3C)c2=O)c(C#N)c1C ZINC000101114467 560786893 /nfs/dbraw/zinc/78/68/93/560786893.db2.gz IGOTXEVYQJHYML-GZTJUZNOSA-N 0 1 422.510 4.440 50 30 HIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000102514955 560815495 /nfs/dbraw/zinc/81/54/95/560815495.db2.gz DAGRGPBEWAERFV-ILCKISKLSA-N 0 1 403.887 4.002 50 30 HIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000102645767 560819803 /nfs/dbraw/zinc/81/98/03/560819803.db2.gz DAGRGPBEWAERFV-DLBSFMOSSA-N 0 1 403.887 4.002 50 30 HIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102804083 560826742 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4.231 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000005584125 557663425 /nfs/dbraw/zinc/66/34/25/557663425.db2.gz LWOLTGAMSZPXGC-JOCHJYFZSA-N 0 1 414.461 4.177 50 30 HIEAMN C/C(=N\N=C1/NC(=O)C(Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1 ZINC000005725218 557670944 /nfs/dbraw/zinc/67/09/44/557670944.db2.gz HNESGQHNJDYMTJ-HDDDNDSPSA-N 0 1 409.408 4.399 50 30 HIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008715667 557801245 /nfs/dbraw/zinc/80/12/45/557801245.db2.gz OBGANYMUPTWEDK-KKSFZXQISA-N 0 1 407.510 4.252 50 30 HIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(F)c2)cc1C ZINC000008837784 557811472 /nfs/dbraw/zinc/81/14/72/557811472.db2.gz ZDBBAUJZNAPKQG-SFHVURJKSA-N 0 1 424.453 4.382 50 30 HIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)c1 ZINC000009046391 557820609 /nfs/dbraw/zinc/82/06/09/557820609.db2.gz RVJGBFDSPNFPAD-NRFANRHFSA-N 0 1 418.424 4.008 50 30 HIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000019880464 558300712 /nfs/dbraw/zinc/30/07/12/558300712.db2.gz HSIRJLQSTMEJMB-GOSISDBHSA-N 0 1 419.308 4.133 50 30 HIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019882907 558301568 /nfs/dbraw/zinc/30/15/68/558301568.db2.gz ZJBSCYOVWFUVON-OAQYLSRUSA-N 0 1 410.489 4.089 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000008996502 558457634 /nfs/dbraw/zinc/45/76/34/558457634.db2.gz CGWURMMFSNXJPY-MRXNPFEDSA-N 0 1 400.843 4.481 50 30 HIEAMN CCCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c1 ZINC000013470812 558533763 /nfs/dbraw/zinc/53/37/63/558533763.db2.gz GVERFIGASQKERG-GOSISDBHSA-N 0 1 421.478 4.110 50 30 HIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000018354724 558835669 /nfs/dbraw/zinc/83/56/69/558835669.db2.gz CWGYURFGHFWNOE-JOCHJYFZSA-N 0 1 406.526 4.258 50 30 HIEAMN CCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000004904662 559200453 /nfs/dbraw/zinc/20/04/53/559200453.db2.gz LLAKWYGOLUQRPF-GIUUDRRCSA-N 0 1 411.527 4.256 50 30 HIEAMN C/C(=N\N=C1/NC(=O)C(Cc2ccc(Br)cc2)S1)c1ccccc1 ZINC000005214328 560542779 /nfs/dbraw/zinc/54/27/79/560542779.db2.gz TZBFKCQJZQMBGZ-GKXUUXLPSA-N 0 1 402.317 4.003 50 30 HIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@H]3C[C@@H]12 ZINC000061997010 560568875 /nfs/dbraw/zinc/56/88/75/560568875.db2.gz FZFNSVTYWBAPRB-PWKSBJOCSA-N 0 1 412.549 4.262 50 30 HIEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC(C)C)ccc1O ZINC000005408131 560583513 /nfs/dbraw/zinc/58/35/13/560583513.db2.gz VMUHQUVORUTNKF-IBGZPJMESA-N 0 1 415.873 4.289 50 30 HIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CC(C)C)cc1OC ZINC000005409024 560583751 /nfs/dbraw/zinc/58/37/51/560583751.db2.gz QBZICVFSTIWOLR-OAQYLSRUSA-N 0 1 409.482 4.247 50 30 HIEAMN COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)[nH]c2c1 ZINC000004252318 560603596 /nfs/dbraw/zinc/60/35/96/560603596.db2.gz 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CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101284740 560790628 /nfs/dbraw/zinc/79/06/28/560790628.db2.gz NFRRPFPXYRLTRX-IBGZPJMESA-N 0 1 413.478 4.379 50 30 HIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102401943 560810698 /nfs/dbraw/zinc/81/06/98/560810698.db2.gz CWLIPUQOONQPCG-CDDRTKSISA-N 0 1 411.523 4.472 50 30 HIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F ZINC000102534715 560813666 /nfs/dbraw/zinc/81/36/66/560813666.db2.gz UQLLZIZUNJSCIN-SQMUXHPUSA-N 0 1 415.848 4.080 50 30 HIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102702360 560820360 /nfs/dbraw/zinc/82/03/60/560820360.db2.gz ZJLBPLBXQIQIKF-GHNGSUTGSA-N 0 1 412.804 4.402 50 30 HIEAMN N#Cc1c(=O)[nH]c(SCc2cc(Cl)c3c(c2)OCCO3)nc1-c1ccccc1 ZINC000024747159 568461000 /nfs/dbraw/zinc/46/10/00/568461000.db2.gz SEJCVUUBCODACD-UHFFFAOYSA-N 0 1 411.870 4.025 50 30 HIEAMN O=C(Cc1ccc(Cl)cc1)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1 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