smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)Nc1ccccc1N=C(c1ccccc1)c1ccccc1 ZINC000000624495 203934127 /nfs/dbraw/zinc/93/41/27/203934127.db2.gz QFYZYIMYPGOFQL-UHFFFAOYSA-N 0 1 350.443 4.227 50 30 FIEAMN Cc1cccc(CC2S/C(=N/N=C/c3cccc4ccccc34)NC2=O)c1 ZINC000004813748 204165874 /nfs/dbraw/zinc/16/58/74/204165874.db2.gz HEZZDYQMGZYVNA-BTVXTAIASA-N 0 1 373.481 4.312 50 30 FIEAMN COc1cc(/C=N\O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004996303 204183896 /nfs/dbraw/zinc/18/38/96/204183896.db2.gz KSFLLRVHKXQDNF-UWVJOHFNSA-N 0 1 356.256 4.223 50 30 FIEAMN CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccnc1 ZINC000005101061 204192278 /nfs/dbraw/zinc/19/22/78/204192278.db2.gz KIZGFJLEGQQBJQ-QFIPXVFZSA-N 0 1 361.445 4.389 50 30 FIEAMN CN(C)c1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000005809983 204225827 /nfs/dbraw/zinc/22/58/27/204225827.db2.gz VLTAXXKEMIVQDN-YBFXNURJSA-N 0 1 357.870 4.209 50 30 FIEAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(C#N)cc2)n1 ZINC000006464088 204249760 /nfs/dbraw/zinc/24/97/60/204249760.db2.gz HXKLTCBDGOCPEC-UHFFFAOYSA-N 0 1 356.838 4.298 50 30 FIEAMN CC(C)c1ccc(CC2S/C(=N\N=C\c3cccs3)NC2=O)cc1 ZINC000006616954 204257330 /nfs/dbraw/zinc/25/73/30/204257330.db2.gz NOBGYHAJUOCJJT-ZVCOJXFSSA-N 0 1 357.504 4.036 50 30 FIEAMN CN(CC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCc2ccccc21 ZINC000007987608 204312853 /nfs/dbraw/zinc/31/28/53/204312853.db2.gz ZEOPKMVIUCUTJJ-GOSISDBHSA-N 0 1 365.502 4.056 50 30 FIEAMN N#Cc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 ZINC000007988593 204313936 /nfs/dbraw/zinc/31/39/36/204313936.db2.gz IMMCBLCQUDMQSJ-UHFFFAOYSA-N 0 1 365.452 4.471 50 30 FIEAMN N#Cc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000036807260 205022138 /nfs/dbraw/zinc/02/21/38/205022138.db2.gz CRQNZBFALHLXAF-UHFFFAOYSA-N 0 1 356.838 4.168 50 30 FIEAMN CCC1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000004903375 206185849 /nfs/dbraw/zinc/18/58/49/206185849.db2.gz QUHWNMZSBVUDQI-QPNCIOBRSA-N 0 1 373.503 4.001 50 30 FIEAMN CC1(C)CC(=O)C2C(=NC(=S)[C@@H](C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000004844155 206181089 /nfs/dbraw/zinc/18/10/89/206181089.db2.gz VGWAAZWZWIXQIV-WFASDCNBSA-N 0 1 355.419 4.232 50 30 FIEAMN CCCCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O ZINC000002288816 520019170 /nfs/dbraw/zinc/01/91/70/520019170.db2.gz KKUUHEBHNFRXDL-UHFFFAOYSA-N 0 1 358.482 4.033 50 30 FIEAMN CCS[C@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304988 521733048 /nfs/dbraw/zinc/73/30/48/521733048.db2.gz GGGTXVAZGFXVAT-ICSRJNTNSA-N 0 1 373.566 4.156 50 30 FIEAMN COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000005158937 522769325 /nfs/dbraw/zinc/76/93/25/522769325.db2.gz ORXQGKIUCDPEAJ-YRNVUSSQSA-N 0 1 354.402 4.217 50 30 endogenous,in-man FIEAMN CSC(=Nc1cccc(Cl)c1C)NS(=O)(=O)c1cccs1 ZINC000012589949 525285688 /nfs/dbraw/zinc/28/56/88/525285688.db2.gz QKNYGKBVLHOVDL-UHFFFAOYSA-N 0 1 360.913 4.230 50 30 FIEAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)C=Cc1c(F)cccc1F ZINC000147713785 525437568 /nfs/dbraw/zinc/43/75/68/525437568.db2.gz VSMVUBJFIOMHHI-KVPUOBJLSA-N 0 1 364.351 4.360 50 30 FIEAMN O=[N+]([O-])c1ccccc1CN=Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000017138009 527398157 /nfs/dbraw/zinc/39/81/57/527398157.db2.gz BXIGXPZMKBQURC-LPYMAVHISA-N 0 1 370.372 4.046 50 30 FIEAMN CN(C)C=NC(=O)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100256191 570550396 /nfs/dbraw/zinc/55/03/96/570550396.db2.gz JHMDOPCRNYHEHX-WUJFOHIQSA-N 0 1 369.774 4.002 50 30 FIEAMN O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1 ZINC000017159532 570869784 /nfs/dbraw/zinc/86/97/84/570869784.db2.gz YWGVZRGVOKBRJO-RQZCQDPDSA-N 0 1 359.798 4.051 50 30 FIEAMN COc1cccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019791109 570902930 /nfs/dbraw/zinc/90/29/30/570902930.db2.gz IWVMDVXYTFEKCN-JJIBRWJFSA-N 0 1 359.473 4.000 50 30 FIEAMN C=CCN1C(=O)c2n[nH]c(-c3ccc(C)cc3O)c2[C@H]1c1ccc(C)cc1 ZINC000008845758 571062919 /nfs/dbraw/zinc/06/29/19/571062919.db2.gz TXLCMXKUTDQGLQ-OAQYLSRUSA-N 0 1 359.429 4.130 50 30 FIEAMN Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccc3C#N)CC2)c1 ZINC000077407566 571320963 /nfs/dbraw/zinc/32/09/63/571320963.db2.gz KLBDFCWVTPSUFA-UHFFFAOYSA-N 0 1 370.456 4.277 50 30 FIEAMN Oc1c(Br)cc(Br)cc1/C=N/c1nccs1 ZINC000001107572 219370035 /nfs/dbraw/zinc/37/00/35/219370035.db2.gz CACIMWISSBWLGE-LHHJGKSTSA-N 0 1 362.046 4.124 50 30 FIEAMN CC(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002257396 204030223 /nfs/dbraw/zinc/03/02/23/204030223.db2.gz UUEDZLFEACICJK-UHFFFAOYSA-N 0 1 368.199 4.074 50 30 FIEAMN N#CC1C(=O)NC(=N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 ZINC000006927881 204282172 /nfs/dbraw/zinc/28/21/72/204282172.db2.gz BIPQNHCVEWTGLL-HOCLYGCPSA-N 0 1 364.474 4.091 50 30 FIEAMN Oc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012464890 204465659 /nfs/dbraw/zinc/46/56/59/204465659.db2.gz BFZLXIJBXOGTLL-KOEQRZSOSA-N 0 1 369.468 4.114 50 30 FIEAMN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(F)cc1 ZINC000012860584 204503470 /nfs/dbraw/zinc/50/34/70/204503470.db2.gz YGYIUUJKYSQVLH-CHWSQXEVSA-N 0 1 371.481 4.173 50 30 FIEAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(C#N)cc2)on1 ZINC000064845505 205307046 /nfs/dbraw/zinc/30/70/46/205307046.db2.gz DKYAHDRIZLETBL-UHFFFAOYSA-N 0 1 373.459 4.001 50 30 FIEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O ZINC000004899231 206182236 /nfs/dbraw/zinc/18/22/36/206182236.db2.gz GSWGTCMMIARSJA-FOWJPOPOSA-N 0 1 351.475 4.321 50 30 FIEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccccc2C)cc1 ZINC000004889275 206184551 /nfs/dbraw/zinc/18/45/51/206184551.db2.gz YZHIHNNYLIGCBH-XMGNELRJSA-N 0 1 351.475 4.157 50 30 FIEAMN N#CCCN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000002638481 263145233 /nfs/dbraw/zinc/14/52/33/263145233.db2.gz PCULAIIUKMXBMI-UHFFFAOYSA-N 0 1 370.865 4.255 50 30 FIEAMN COc1ccc(C=NNc2nc(-c3ccccc3)nc(C)c2C)cc1OC ZINC000004595682 263334258 /nfs/dbraw/zinc/33/42/58/263334258.db2.gz HPVALEVARVFJLZ-LPYMAVHISA-N 0 1 362.433 4.224 50 30 FIEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1 ZINC000239121069 518377699 /nfs/dbraw/zinc/37/76/99/518377699.db2.gz JGAYKEAZJXUZJD-UHFFFAOYSA-N 0 1 353.469 4.408 50 30 FIEAMN C=CCc1cccc(C=Nn2c(-c3ccccc3C)n[nH]c2=S)c1O ZINC000001321891 519140376 /nfs/dbraw/zinc/14/03/76/519140376.db2.gz GVUOLJVWPLYKCI-UDWIEESQSA-N 0 1 350.447 4.232 50 30 FIEAMN CN(C)C(=O)c1cccc(CSC(=N)Nc2ccc(F)c(Cl)c2)c1 ZINC000060511529 524028647 /nfs/dbraw/zinc/02/86/47/524028647.db2.gz KJXCHMYDBHCJFD-UHFFFAOYSA-N 0 1 365.861 4.061 50 30 FIEAMN Cc1cc(N=NCc2cccc(Cl)c2)nc(NCc2ccccc2)n1 ZINC000004837322 525043195 /nfs/dbraw/zinc/04/31/95/525043195.db2.gz XZCQCHRLIZPEIN-LPYMAVHISA-N 0 1 351.841 4.497 50 30 FIEAMN Cc1c2cc(Cl)ccc2sc1CNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329150263 570609818 /nfs/dbraw/zinc/60/98/18/570609818.db2.gz ZJVUENMLZCYCBG-JTQLQIEISA-N 0 1 360.870 4.243 50 30 FIEAMN Cc1c2cc(Cl)ccc2sc1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329150263 570609821 /nfs/dbraw/zinc/60/98/21/570609821.db2.gz ZJVUENMLZCYCBG-JTQLQIEISA-N 0 1 360.870 4.243 50 30 FIEAMN CN(CC#CCC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000055496508 571059052 /nfs/dbraw/zinc/05/90/52/571059052.db2.gz SFZKDHRWZHYASG-UHFFFAOYSA-N 0 1 353.465 4.428 50 30 FIEAMN C=CCc1ccc(OCCN2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000008792538 571061911 /nfs/dbraw/zinc/06/19/11/571061911.db2.gz HGBFDCGNPIAHQI-FQEVSTJZSA-N 0 1 352.478 4.425 50 30 biogenic FIEAMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)nc(C)n1 ZINC000071810470 571126087 /nfs/dbraw/zinc/12/60/87/571126087.db2.gz QFVRHBQQIKYVJY-ILXRZTDVSA-N 0 1 359.351 4.092 50 30 FIEAMN N#Cc1ccccc1-c1ccc(CN2CCN(CCc3ccccc3)CC2)o1 ZINC000223493491 571139571 /nfs/dbraw/zinc/13/95/71/571139571.db2.gz XUBJTQPSWONUEN-UHFFFAOYSA-N 0 1 371.484 4.179 50 30 FIEAMN N#Cc1c(=O)[nH]c(Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000001041072 571144324 /nfs/dbraw/zinc/14/43/24/571144324.db2.gz GFJJCPWDOHQBNC-UHFFFAOYSA-N 0 1 357.200 4.359 50 30 FIEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccn1C ZINC000009042279 571204674 /nfs/dbraw/zinc/20/46/74/571204674.db2.gz INPMKGYYZKWCDW-OAQYLSRUSA-N 0 1 363.461 4.188 50 30 biogenic FIEAMN N#Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc1 ZINC000077300883 571321002 /nfs/dbraw/zinc/32/10/02/571321002.db2.gz LLNJDPNPZQDIQM-GOSISDBHSA-N 0 1 374.419 4.107 50 30 FIEAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000012995018 571322924 /nfs/dbraw/zinc/32/29/24/571322924.db2.gz SEIHYCCTCLQVCS-OAQYLSRUSA-N 0 1 363.461 4.123 50 30 FIEAMN Cn1c2ccccc2c2c1-c1cc(C#N)c(=O)[nH]c1C[C@@H]2c1ccccc1 ZINC000022341755 1082258035 /nfs/dbraw/zinc/25/80/35/1082258035.db2.gz JEOFSEFKOSPTOZ-QGZVFWFLSA-N 0 1 351.409 4.093 50 30 FIEAMN CCCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000002318664 204034158 /nfs/dbraw/zinc/03/41/58/204034158.db2.gz XBKHCMRDLYHWMG-VGCKYNLESA-N 0 1 355.463 4.304 50 30 FIEAMN COc1ccc2cc(C=NNc3nc4ccccc4[nH]3)c(Cl)nc2c1 ZINC000005458056 204209590 /nfs/dbraw/zinc/20/95/90/204209590.db2.gz AOGGQLSOCKCYEX-KEBDBYFISA-N 0 1 351.797 4.219 50 30 FIEAMN O=[N+]([O-])c1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)c1 ZINC000005763163 204224804 /nfs/dbraw/zinc/22/48/04/204224804.db2.gz QYYXZHZUQIXFAP-RQZCQDPDSA-N 0 1 359.798 4.051 50 30 FIEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000006358026 204246074 /nfs/dbraw/zinc/24/60/74/204246074.db2.gz ACPSFEZTRFDYIT-RCRZSSQQSA-N 0 1 369.465 4.378 50 30 FIEAMN CCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccs1 ZINC000008680348 204339077 /nfs/dbraw/zinc/33/90/77/204339077.db2.gz HJAPPEFKKZIBFA-INIZCTEOSA-N 0 1 360.483 4.142 50 30 FIEAMN Cc1cccc(CC2SC(=NN=Cc3ccc(N(C)C)cc3)NC2=O)c1 ZINC000009089943 204353816 /nfs/dbraw/zinc/35/38/16/204353816.db2.gz CTYMNRVYFXAORD-KOMLCTQHSA-N 0 1 366.490 4.066 50 30 FIEAMN CCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366947 205182411 /nfs/dbraw/zinc/18/24/11/205182411.db2.gz MJRLYDONLOUCPS-XRDZRPQXSA-N 0 1 369.465 4.460 50 30 FIEAMN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc2cn[nH]c21 ZINC000057089210 205234004 /nfs/dbraw/zinc/23/40/04/205234004.db2.gz QWXMIZDXMZKQPN-UHFFFAOYSA-N 0 1 369.384 4.183 50 30 FIEAMN Cc1ccc(C2(O)CCN(Cc3ccc(-c4ccccc4C#N)o3)CC2)nc1 ZINC000067852468 205397823 /nfs/dbraw/zinc/39/78/23/205397823.db2.gz XILCPYNAYZLGRL-UHFFFAOYSA-N 0 1 373.456 4.005 50 30 FIEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2)C1=O ZINC000004899230 206182630 /nfs/dbraw/zinc/18/26/30/206182630.db2.gz GSWGTCMMIARSJA-KQHGIQCESA-N 0 1 351.475 4.321 50 30 FIEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004910725 206185704 /nfs/dbraw/zinc/18/57/04/206185704.db2.gz MJRLYDONLOUCPS-CRFHEJAGSA-N 0 1 369.465 4.460 50 30 FIEAMN CCCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000005092899 206188570 /nfs/dbraw/zinc/18/85/70/206188570.db2.gz IDNWSNCVPCUSGH-AANLGRHESA-N 0 1 373.453 4.443 50 30 FIEAMN CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000105725519 206233494 /nfs/dbraw/zinc/23/34/94/206233494.db2.gz GRHPYHKBBVQXFQ-HZPDHXFCSA-N 0 1 369.896 4.472 50 30 FIEAMN CCN(CC(=O)N[C@H](C)c1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000105725519 206233499 /nfs/dbraw/zinc/23/34/99/206233499.db2.gz GRHPYHKBBVQXFQ-HZPDHXFCSA-N 0 1 369.896 4.472 50 30 FIEAMN C(=NNc1nc2ccccc2s1)c1cccn1CCOc1ccccc1 ZINC000002591035 263145304 /nfs/dbraw/zinc/14/53/04/263145304.db2.gz FOVGWFNVVHGIEI-RCCKNPSSSA-N 0 1 362.458 4.045 50 30 FIEAMN C(=[NH+][N-]c1nc2ccccc2s1)c1cccn1CCOc1ccccc1 ZINC000002591035 263145306 /nfs/dbraw/zinc/14/53/06/263145306.db2.gz FOVGWFNVVHGIEI-RCCKNPSSSA-N 0 1 362.458 4.045 50 30 FIEAMN C=CCn1c(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]c1=S ZINC000238937184 519197507 /nfs/dbraw/zinc/19/75/07/519197507.db2.gz TZLOIJDAVMPFJA-UHFFFAOYSA-N 0 1 360.460 4.403 50 30 FIEAMN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000004856052 527385194 /nfs/dbraw/zinc/38/51/94/527385194.db2.gz YRGCIZXDSOZSAW-WSDLNYQXSA-N 0 1 370.372 4.046 50 30 FIEAMN N#Cc1ccsc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 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C=C(C)[C@H](NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)c1ccc(F)c(F)c1 ZINC000332107374 1091705621 /nfs/dbraw/zinc/70/56/21/1091705621.db2.gz ACOJGDJOGQOJTC-KXBFYZLASA-N 0 1 374.435 4.203 50 30 FIEAMN C=CCN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2O)C1=O ZINC000000981873 209385059 /nfs/dbraw/zinc/38/50/59/209385059.db2.gz WBNMSFWEXJRDEV-YHYXMXQVSA-N 0 1 374.643 4.030 50 30 FIEAMN N#Cc1ccc(OCCSc2nc(C=Cc3ccc(F)cc3)n[nH]2)cc1 ZINC000098003813 209202056 /nfs/dbraw/zinc/20/20/56/209202056.db2.gz LNPVZVRNZRWWGC-YHYXMXQVSA-N 0 1 366.421 4.157 50 30 FIEAMN C(=NN=c1nc(Nc2ccccc2)[nH]c(Nc2ccccc2)n1)c1ccco1 ZINC000004478015 207021394 /nfs/dbraw/zinc/02/13/94/207021394.db2.gz UGUTYGQCTIPGBU-KGENOOAVSA-N 0 1 371.404 4.398 50 30 FIEAMN S=c1[nH]nc(-c2ccccn2)n1N=Cc1c(Cl)cccc1Cl ZINC000005450703 207101120 /nfs/dbraw/zinc/10/11/20/207101120.db2.gz XVZGGBMIHMNKKL-QGMBQPNBSA-N 0 1 350.234 4.192 50 30 FIEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(SC)cc1 ZINC000006007491 207125304 /nfs/dbraw/zinc/12/53/04/207125304.db2.gz YONAWSHMCYTPNU-WOJGMQOQSA-N 0 1 356.476 4.220 50 30 FIEAMN N#Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000007057223 207186338 /nfs/dbraw/zinc/18/63/38/207186338.db2.gz HUUOHODEWVFWEP-UHFFFAOYSA-N 0 1 360.744 4.031 50 30 FIEAMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCc2ccccc21 ZINC000008073155 207218219 /nfs/dbraw/zinc/21/82/19/207218219.db2.gz LNIGHXQXUCXSRG-IBGZPJMESA-N 0 1 353.853 4.160 50 30 FIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000009329914 207267646 /nfs/dbraw/zinc/26/76/46/207267646.db2.gz HHIWUSKQFVOMBL-GOSISDBHSA-N 0 1 353.393 4.204 50 30 FIEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 ZINC000033912496 208100769 /nfs/dbraw/zinc/10/07/69/208100769.db2.gz XMKWKFDLZXGMOH-DQJNUCSISA-N 0 1 369.465 4.297 50 30 FIEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccs1 ZINC000239121181 518378425 /nfs/dbraw/zinc/37/84/25/518378425.db2.gz JMGACQFWLUTIBU-UHFFFAOYSA-N 0 1 359.498 4.470 50 30 FIEAMN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103781 518718685 /nfs/dbraw/zinc/71/86/85/518718685.db2.gz WMZXGZFZQMPHCG-HXUWFJFHSA-N 0 1 373.468 4.172 50 30 FIEAMN C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c1C ZINC000003386437 519169532 /nfs/dbraw/zinc/16/95/32/519169532.db2.gz BQAADBJFMZNRTN-UHFFFAOYSA-N 0 1 370.453 4.190 50 30 FIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2C)cc1OC ZINC000001475948 520853637 /nfs/dbraw/zinc/85/36/37/520853637.db2.gz AEPNIBDWKSJSHL-UDWIEESQSA-N 0 1 368.462 4.206 50 30 FIEAMN CSC(=Nc1ccc(F)c(Cl)c1)NS(=O)(=O)c1cccs1 ZINC000006131627 525285945 /nfs/dbraw/zinc/28/59/45/525285945.db2.gz IXZICZKRCFVRLZ-UHFFFAOYSA-N 0 1 364.876 4.060 50 30 FIEAMN Cc1ccc(/C=C\C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)o1 ZINC000096134002 525962483 /nfs/dbraw/zinc/96/24/83/525962483.db2.gz STVKOWJWIDMXRQ-YPKPFQOOSA-N 0 1 367.426 4.285 50 30 FIEAMN Cc1ccc2nc(SCC(=O)N(CCC#N)c3ccc(F)cc3)[nH]c2c1 ZINC000005927722 526255298 /nfs/dbraw/zinc/25/52/98/526255298.db2.gz QJSNJNYOLMLZBX-UHFFFAOYSA-N 0 1 368.437 4.049 50 30 FIEAMN N=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1cccc(Cl)c1 ZINC000004685104 526815416 /nfs/dbraw/zinc/81/54/16/526815416.db2.gz DIWODQGMGDIIRK-UHFFFAOYSA-N 0 1 357.624 4.319 50 30 FIEAMN N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)o1 ZINC000072146120 570525930 /nfs/dbraw/zinc/52/59/30/570525930.db2.gz FGAHBCYKOIIUSK-HXUWFJFHSA-N 0 1 373.456 4.394 50 30 FIEAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(F)c(C#N)c2)n1 ZINC000158125996 570538735 /nfs/dbraw/zinc/53/87/35/570538735.db2.gz GBLSXWOCECAGHX-UHFFFAOYSA-N 0 1 374.828 4.437 50 30 FIEAMN COc1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC ZINC000003157658 570553146 /nfs/dbraw/zinc/55/31/46/570553146.db2.gz HAVZBWLBOBVGOB-KEBDBYFISA-N 0 1 354.233 4.378 50 30 FIEAMN CCCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004910731 570558062 /nfs/dbraw/zinc/55/80/62/570558062.db2.gz MJRLYDONLOUCPS-MWDTWODRSA-N 0 1 369.465 4.460 50 30 FIEAMN FC(F)c1n[nH]c(=S)n1N=Cc1ccc(Cc2ccccc2)s1 ZINC000002790340 570672065 /nfs/dbraw/zinc/67/20/65/570672065.db2.gz 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ZINC000063352882 571169369 /nfs/dbraw/zinc/16/93/69/571169369.db2.gz RTYVSIAWAWLHIR-UHFFFAOYSA-N 0 1 354.454 4.499 50 30 FIEAMN N#Cc1ccccc1-c1ccc(CN2CCN(c3ccccc3O)CC2)cc1 ZINC000012537693 571176387 /nfs/dbraw/zinc/17/63/87/571176387.db2.gz FYLOBNWSQJJFHN-UHFFFAOYSA-N 0 1 369.468 4.253 50 30 FIEAMN C[C@@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000020504033 571330160 /nfs/dbraw/zinc/33/01/60/571330160.db2.gz QSIQANCMADLMDY-CCOVPTLTSA-N 0 1 355.459 4.302 50 30 biogenic FIEAMN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)C(C(=O)OC)=C1O ZINC000102872568 209244493 /nfs/dbraw/zinc/24/44/93/209244493.db2.gz JQEUIKXPLHWZCD-GNFOSXPUSA-N 0 1 373.449 4.168 50 30 FIEAMN Cc1ccc(-c2nc(SCc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 ZINC000005238279 207088737 /nfs/dbraw/zinc/08/87/37/207088737.db2.gz RTZHRUUJHFRQTI-UHFFFAOYSA-N 0 1 351.406 4.048 50 30 FIEAMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(O)cc2)cc1 ZINC000005669429 207110683 /nfs/dbraw/zinc/11/06/83/207110683.db2.gz FXRMEWQEXBZFLT-UDWIEESQSA-N 0 1 352.463 4.493 50 30 FIEAMN COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(SC)cc2)c1 ZINC000006007349 207124929 /nfs/dbraw/zinc/12/49/29/207124929.db2.gz MMNMISLEBXDVML-WOJGMQOQSA-N 0 1 356.476 4.220 50 30 FIEAMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCc2ccccc21 ZINC000008073153 207218839 /nfs/dbraw/zinc/21/88/39/207218839.db2.gz LNIGHXQXUCXSRG-LJQANCHMSA-N 0 1 353.853 4.160 50 30 FIEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000033920726 208101430 /nfs/dbraw/zinc/10/14/30/208101430.db2.gz QUHWNMZSBVUDQI-CXDOIHPCSA-N 0 1 373.503 4.001 50 30 FIEAMN N#CC(C(=O)c1csc(-c2ccco2)n1)c1ccc(C(F)(F)F)cn1 ZINC000041552891 208284973 /nfs/dbraw/zinc/28/49/73/208284973.db2.gz PZAOAJOZQHZUHF-JTQLQIEISA-N 0 1 363.320 4.307 50 30 FIEAMN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000101992119 524034568 /nfs/dbraw/zinc/03/45/68/524034568.db2.gz MNUHMAUOZFAJMT-WJDWOHSUSA-N 0 1 370.522 4.075 50 30 FIEAMN Cc1ccc(/C=C/C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)o1 ZINC000060101653 525952960 /nfs/dbraw/zinc/95/29/60/525952960.db2.gz STVKOWJWIDMXRQ-BUHFOSPRSA-N 0 1 367.426 4.285 50 30 FIEAMN COc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)cc(OC)c1OC ZINC000001026651 570472030 /nfs/dbraw/zinc/47/20/30/570472030.db2.gz BLPVEYJYZQHFNB-UFWORHAWSA-N 0 1 356.205 4.475 50 30 FIEAMN Cc1nn(-c2ccccc2)cc1C=Nn1c(=S)[nH]nc1-c1cccs1 ZINC000001034605 570473269 /nfs/dbraw/zinc/47/32/69/570473269.db2.gz WHIPBRMXUDTUDU-VCHYOVAHSA-N 0 1 366.475 4.046 50 30 FIEAMN CN(C)/C=C/C(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1O ZINC000001402210 570498819 /nfs/dbraw/zinc/49/88/19/570498819.db2.gz CGVLSKSLRAMKKK-CMDGGOBGSA-N 0 1 365.351 4.248 50 30 FIEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccs1 ZINC000002601159 570526056 /nfs/dbraw/zinc/52/60/56/570526056.db2.gz HKHXNMGLXSNQJA-GFCCVEGCSA-N 0 1 374.468 4.049 50 30 FIEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000004899089 570556112 /nfs/dbraw/zinc/55/61/12/570556112.db2.gz PSAJILIHHZSBRB-RXSWUABFSA-N 0 1 351.475 4.239 50 30 FIEAMN COc1ccc(C(C)=NN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000252623686 570624446 /nfs/dbraw/zinc/62/44/46/570624446.db2.gz OXEPDTAVGYGRFC-UHFFFAOYSA-N 0 1 373.500 4.390 50 30 FIEAMN CCCCCCCOc1ccc(CNCc2ccnc(N(C)C)n2)cc1 ZINC000097971436 571205539 /nfs/dbraw/zinc/20/55/39/571205539.db2.gz OZEKXWSVLIEORZ-UHFFFAOYSA-N 0 1 356.514 4.182 50 30 FIEAMN N#Cc1ccc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cc1 ZINC000077300880 571321024 /nfs/dbraw/zinc/32/10/24/571321024.db2.gz LLNJDPNPZQDIQM-SFHVURJKSA-N 0 1 374.419 4.107 50 30 FIEAMN CNC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021722370 571335866 /nfs/dbraw/zinc/33/58/66/571335866.db2.gz BMVQZHKYACECAZ-SFHVURJKSA-N 0 1 353.447 4.068 50 30 FIEAMN N#Cc1c(NC(=O)CNCc2cccc(Cl)c2)sc2c1CCCCC2 ZINC000058120203 571348277 /nfs/dbraw/zinc/34/82/77/571348277.db2.gz SCVOLQFXXIRLMA-UHFFFAOYSA-N 0 1 373.909 4.270 50 30 FIEAMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000058160574 571348756 /nfs/dbraw/zinc/34/87/56/571348756.db2.gz RGGNATSGRSCAEY-QGZVFWFLSA-N 0 1 355.441 4.264 50 30 FIEAMN CN(C)C=NC(=O)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100256197 209211250 /nfs/dbraw/zinc/21/12/50/209211250.db2.gz JHMDOPCRNYHEHX-LOLZCCBGSA-N 0 1 369.774 4.002 50 30 FIEAMN CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000004716111 207041601 /nfs/dbraw/zinc/04/16/01/207041601.db2.gz MSSADKTUEXXPDD-HNNXBMFYSA-N 0 1 374.897 4.312 50 30 FIEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)c1OC ZINC000006007374 207125663 /nfs/dbraw/zinc/12/56/63/207125663.db2.gz GABDBCRCQBATBI-VXLYETTFSA-N 0 1 374.853 4.160 50 30 FIEAMN O=[N+]([O-])c1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1Cl ZINC000006062201 207127468 /nfs/dbraw/zinc/12/74/68/207127468.db2.gz YAQJTZQUJGVZTK-RQZCQDPDSA-N 0 1 359.798 4.051 50 30 FIEAMN O=[N+]([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000006057892 207128329 /nfs/dbraw/zinc/12/83/29/207128329.db2.gz TYBBQCKGRJOPFE-RQZCQDPDSA-N 0 1 359.798 4.051 50 30 FIEAMN CC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 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C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000020504034 210237468 /nfs/dbraw/zinc/23/74/68/210237468.db2.gz QSIQANCMADLMDY-VQIMKDEXSA-N 0 1 355.459 4.302 50 30 biogenic FIEAMN N#Cc1cccc(-c2n[nH]c3c2CN(Cc2cc4ccccc4o2)CC3)c1 ZINC000019642260 211243774 /nfs/dbraw/zinc/24/37/74/211243774.db2.gz FFQUOLZMQMHHJD-UHFFFAOYSA-N 0 1 354.413 4.253 50 30 FIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)c(O)c1 ZINC000002356631 210393864 /nfs/dbraw/zinc/39/38/64/210393864.db2.gz NKOSLKVHYDGYKN-DEDYPNTBSA-N 0 1 373.526 4.422 50 30 FIEAMN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)c(C)s2)c1C ZINC000096323548 222115038 /nfs/dbraw/zinc/11/50/38/222115038.db2.gz RIGHAUPTWFRZBO-UHFFFAOYSA-N 0 1 373.459 4.001 50 30 FIEAMN Cc1noc(-c2cc(S(=O)(=O)Nc3cccc(C#N)c3)c(C)s2)c1C ZINC000096323553 222115440 /nfs/dbraw/zinc/11/54/40/222115440.db2.gz CMQXHROEWRHEFV-UHFFFAOYSA-N 0 1 373.459 4.001 50 30 FIEAMN CCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1F ZINC000101284969 222267733 /nfs/dbraw/zinc/26/77/33/222267733.db2.gz WFJNTEHPUXNDRO-SFHVURJKSA-N 0 1 372.444 4.220 50 30 FIEAMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C#N)Cc3ccc(C)cc3)n2)o1 ZINC000031802476 263392368 /nfs/dbraw/zinc/39/23/68/263392368.db2.gz ABFZZZCOMFRWQU-FVNWOWOISA-N 0 1 350.447 4.412 50 30 FIEAMN C=CCOc1ccccc1CN1CCC(CC2CC2)(C(=O)OCC)CC1 ZINC000012596562 519067920 /nfs/dbraw/zinc/06/79/20/519067920.db2.gz VFMFUEJPSJBQRJ-UHFFFAOYSA-N 0 1 357.494 4.197 50 30 FIEAMN CCCCc1ccc(CC2S/C(=N/N=C/c3cccs3)NC2=O)cc1 ZINC000006264738 521274305 /nfs/dbraw/zinc/27/43/05/521274305.db2.gz HTXYFDZAXJLDDY-NNIWKIFQSA-N 0 1 371.531 4.255 50 30 FIEAMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)nc(C)n1 ZINC000241684864 525501354 /nfs/dbraw/zinc/50/13/54/525501354.db2.gz QFVRHBQQIKYVJY-KKUMJFAQSA-N 0 1 359.351 4.092 50 30 FIEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004901582 570556823 /nfs/dbraw/zinc/55/68/23/570556823.db2.gz HRXBFBYTBLGFIV-AANLGRHESA-N 0 1 355.438 4.070 50 30 FIEAMN CCN(CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000248240132 570603464 /nfs/dbraw/zinc/60/34/64/570603464.db2.gz GRHPYHKBBVQXFQ-JKSUJKDBSA-N 0 1 369.896 4.472 50 30 FIEAMN Cc1ccccc1-c1n[nH]c(=S)n1N=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000006056263 570640645 /nfs/dbraw/zinc/64/06/45/570640645.db2.gz HOKUCMSKHVCNNO-GIJQJNRQSA-N 0 1 373.825 4.360 50 30 FIEAMN Cc1ccccc1/C=N/N=C1\NC(=O)C(Cc2cccc3ccccc32)S1 ZINC000006302727 570645414 /nfs/dbraw/zinc/64/54/14/570645414.db2.gz CWXCXXQRNTXINI-RXULLKCLSA-N 0 1 373.481 4.312 50 30 FIEAMN Cc1cc(N(C)/N=C/c2ccccc2Cl)nc(-c2ccccc2O)n1 ZINC000004713188 570670897 /nfs/dbraw/zinc/67/08/97/570670897.db2.gz XFLFGWDYZFDGAN-CIAFOILYSA-N 0 1 352.825 4.281 50 30 FIEAMN C=C(C)COc1c(CN[C@H](C)c2c(C)nn(CC)c2C)cccc1OC ZINC000055245556 571058655 /nfs/dbraw/zinc/05/86/55/571058655.db2.gz BZWIUTMKONBEAY-OAHLLOKOSA-N 0 1 357.498 4.334 50 30 FIEAMN C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cc(C)n[nH]2)cn1 ZINC000067713982 571067059 /nfs/dbraw/zinc/06/70/59/571067059.db2.gz XHYNUEDHVZKCTQ-KRWDZBQOSA-N 0 1 372.476 4.435 50 30 FIEAMN CC(C)Cc1nc(NC(=O)[C@@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)n[nH]1 ZINC000095479634 571330998 /nfs/dbraw/zinc/33/09/98/571330998.db2.gz HEZJWYLPZNHZIZ-WMLDXEAASA-N 0 1 368.481 4.307 50 30 FIEAMN CC(C)Cc1n[nH]c(NC(=O)[C@@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)n1 ZINC000095479634 571330999 /nfs/dbraw/zinc/33/09/99/571330999.db2.gz HEZJWYLPZNHZIZ-WMLDXEAASA-N 0 1 368.481 4.307 50 30 FIEAMN COc1ccc2cc(CSc3[nH]c(=O)cc(C)c3C#N)c(Cl)nc2c1 ZINC000007985204 571358104 /nfs/dbraw/zinc/35/81/04/571358104.db2.gz VSOUGGXNLHJHOP-UHFFFAOYSA-N 0 1 371.849 4.058 50 30 FIEAMN Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](C)CC1=O)N2 ZINC000022608094 211355976 /nfs/dbraw/zinc/35/59/76/211355976.db2.gz OKBUKLSDQJYCIF-BCTVWOGZSA-N 0 1 363.248 4.161 50 30 FIEAMN CNC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021722372 211322194 /nfs/dbraw/zinc/32/21/94/211322194.db2.gz BMVQZHKYACECAZ-GOSISDBHSA-N 0 1 353.447 4.068 50 30 FIEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)c(C)c1 ZINC000002357514 210393997 /nfs/dbraw/zinc/39/39/97/210393997.db2.gz VLONDOVIFPMYKE-DIOYOTCZSA-N 0 1 351.475 4.157 50 30 FIEAMN N#Cc1c(=O)[nH]c(-c2ccc(Br)cc2)cc1-c1ccccc1 ZINC000001045804 210307913 /nfs/dbraw/zinc/30/79/13/210307913.db2.gz OBUFZKRFNYRUQL-UHFFFAOYSA-N 0 1 351.203 4.343 50 30 FIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1OC ZINC000005408580 263341305 /nfs/dbraw/zinc/34/13/05/263341305.db2.gz LTIZFSZOUXLACB-RGVLZGJSSA-N 0 1 372.425 4.036 50 30 FIEAMN C=CCC[C@H](O)CN(Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103782 518726158 /nfs/dbraw/zinc/72/61/58/518726158.db2.gz WMZXGZFZQMPHCG-FQEVSTJZSA-N 0 1 373.468 4.172 50 30 FIEAMN C=CCN(CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000032739723 518774001 /nfs/dbraw/zinc/77/40/01/518774001.db2.gz CWCQCBHIJUPITO-UHFFFAOYSA-N 0 1 365.911 4.351 50 30 FIEAMN C=CCc1cc(CN2CCN(c3ccccc3Cl)CC2)c(O)c(OC)c1 ZINC000016079056 534413806 /nfs/dbraw/zinc/41/38/06/534413806.db2.gz LSQFAIQWEGMBJQ-UHFFFAOYSA-N 0 1 372.896 4.105 50 30 FIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2C2CCCCC2)cc1OC ZINC000001475376 520854682 /nfs/dbraw/zinc/85/46/82/520854682.db2.gz CEAFSWQAMYWBDV-XDHOZWIPSA-N 0 1 360.483 4.278 50 30 FIEAMN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](c3ccccc3)C2)c1C ZINC000069701417 524524066 /nfs/dbraw/zinc/52/40/66/524524066.db2.gz LDGNGQACZQBIMW-NRFANRHFSA-N 0 1 361.489 4.040 50 30 FIEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(C)=O ZINC000003904913 570571491 /nfs/dbraw/zinc/57/14/91/570571491.db2.gz JFBBETBZJKIRAQ-QFIPXVFZSA-N 0 1 362.429 4.222 50 30 FIEAMN COc1cc(OC)c(OC)cc1CN=Nc1nc2cc(C)ccc2cc1C ZINC000004982292 570616126 /nfs/dbraw/zinc/61/61/26/570616126.db2.gz UZHQITXLJYUELL-WSDLNYQXSA-N 0 1 365.433 4.323 50 30 FIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000005482653 570662545 /nfs/dbraw/zinc/66/25/45/570662545.db2.gz WJSYTJVVSMPQNC-RTBURBONSA-N 0 1 362.820 4.126 50 30 FIEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366873 570947387 /nfs/dbraw/zinc/94/73/87/570947387.db2.gz QUHWNMZSBVUDQI-HSWSJEDYSA-N 0 1 373.503 4.001 50 30 FIEAMN CCOc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000005444703 571043315 /nfs/dbraw/zinc/04/33/15/571043315.db2.gz GSKJLFWCLVCSKV-AWQFTUOYSA-N 0 1 366.368 4.020 50 30 FIEAMN Cc1ccc(/N=C/N(C)SN(C2CCCCC2)S(C)(=O)=O)c(C)c1 ZINC000039425547 571089125 /nfs/dbraw/zinc/08/91/25/571089125.db2.gz LNWGWBONGPQIQK-QGOAFFKASA-N 0 1 369.556 4.053 50 30 FIEAMN N#Cc1c(=O)[nH]c(-c2cccs2)cc1-c1cccc(Br)c1 ZINC000013920110 571136697 /nfs/dbraw/zinc/13/66/97/571136697.db2.gz NEIOHLNVFJIBGY-UHFFFAOYSA-N 0 1 357.232 4.405 50 30 FIEAMN Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccccc3C#N)C2)cc1 ZINC000077536694 571321151 /nfs/dbraw/zinc/32/11/51/571321151.db2.gz GXXZOASKBWXGQT-IBGZPJMESA-N 0 1 370.456 4.277 50 30 FIEAMN N#Cc1ccccc1-c1ccc(CN2CCC(Oc3cccnc3)CC2)o1 ZINC000215589183 571338907 /nfs/dbraw/zinc/33/89/07/571338907.db2.gz UWHDMWULGSBWLO-UHFFFAOYSA-N 0 1 359.429 4.257 50 30 FIEAMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000058160573 571348732 /nfs/dbraw/zinc/34/87/32/571348732.db2.gz RGGNATSGRSCAEY-KRWDZBQOSA-N 0 1 355.441 4.264 50 30 FIEAMN CCC1S/C(=N/N=Cc2c3ccccc3[nH]c2-c2ccccc2)NC1=O ZINC000254300838 1113846585 /nfs/dbraw/zinc/84/65/85/1113846585.db2.gz QXDDVHRCTYAVPE-KRWDZBQOSA-N 0 1 362.458 4.166 50 30 FIEAMN C(#Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019287416 210157662 /nfs/dbraw/zinc/15/76/62/210157662.db2.gz OHWUJBUNOHWYHZ-UHFFFAOYSA-N 0 1 366.508 4.445 50 30 FIEAMN CCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000002297251 210390478 /nfs/dbraw/zinc/39/04/78/210390478.db2.gz MJRLYDONLOUCPS-DRNJXZDHSA-N 0 1 369.465 4.460 50 30 FIEAMN CCCCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000002236587 210385630 /nfs/dbraw/zinc/38/56/30/210385630.db2.gz LDNVDNNGBCAHQZ-UHFFFAOYSA-N 0 1 358.438 4.406 50 30 FIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000001064618 210312275 /nfs/dbraw/zinc/31/22/75/210312275.db2.gz JWGRSBYMWCYBHG-RTBURBONSA-N 0 1 362.820 4.126 50 30 FIEAMN CCCCCCCC1C(C)=NN(c2nnc3c4ccccc4[nH]c3n2)C1=O ZINC000100365790 222241773 /nfs/dbraw/zinc/24/17/73/222241773.db2.gz XYSZYAKWMKNXQI-UHFFFAOYSA-N 0 1 364.453 4.219 50 30 FIEAMN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cnc(-c3ccccc3OC)s2)C1 ZINC000092001930 519121275 /nfs/dbraw/zinc/12/12/75/519121275.db2.gz LRASBVRLZFRFHD-FQEVSTJZSA-N 0 1 372.490 4.062 50 30 FIEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020517439 520416553 /nfs/dbraw/zinc/41/65/53/520416553.db2.gz BYOVCIYOAXQTQP-MOSHPQCFSA-N 0 1 367.445 4.249 50 30 FIEAMN CCN(CC)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000015658672 520885685 /nfs/dbraw/zinc/88/56/85/520885685.db2.gz VAJRCAYXNHKPOX-QJOMJCCJSA-N 0 1 370.928 4.342 50 30 FIEAMN Oc1ccccc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000238997306 526370743 /nfs/dbraw/zinc/37/07/43/526370743.db2.gz ADUBFULRLIEADB-UHFFFAOYSA-N 0 1 369.468 4.114 50 30 FIEAMN CCN(CC)c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002209563 535682051 /nfs/dbraw/zinc/68/20/51/535682051.db2.gz VAJRCAYXNHKPOX-HAVVHWLPSA-N 0 1 370.928 4.342 50 30 FIEAMN CCC1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004901587 570556886 /nfs/dbraw/zinc/55/68/86/570556886.db2.gz HRXBFBYTBLGFIV-AUECTMLASA-N 0 1 355.438 4.070 50 30 FIEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004903619 570556960 /nfs/dbraw/zinc/55/69/60/570556960.db2.gz LFVQYSJCHCIVRM-UAQCVPFCSA-N 0 1 351.475 4.239 50 30 FIEAMN C#CCOc1c(Cl)cc(C=NN=c2[nH]c3ccccc3[nH]2)cc1OCC ZINC000004678139 570600548 /nfs/dbraw/zinc/60/05/48/570600548.db2.gz LMWIITMALOHOGD-CIAFOILYSA-N 0 1 368.824 4.073 50 30 FIEAMN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)o1 ZINC000005443284 570656436 /nfs/dbraw/zinc/65/64/36/570656436.db2.gz BCANTTZSWSQVNF-JFENUBAZSA-N 0 1 353.418 4.284 50 30 biogenic FIEAMN C=CCN1C(=O)C(=O)C(C(=O)c2cccs2)[C@H]1c1cccc(Cl)c1 ZINC000002705547 570665015 /nfs/dbraw/zinc/66/50/15/570665015.db2.gz ZZALWUYOZMGUEZ-OAHLLOKOSA-N 0 1 359.834 4.166 50 30 FIEAMN CCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccs1 ZINC000008680349 571054512 /nfs/dbraw/zinc/05/45/12/571054512.db2.gz HJAPPEFKKZIBFA-MRXNPFEDSA-N 0 1 360.483 4.142 50 30 FIEAMN Cc1cccc(/N=C2\NC(=O)C(Cc3ccc(Cl)cc3Cl)S2)n1 ZINC000009086509 571095314 /nfs/dbraw/zinc/09/53/14/571095314.db2.gz FFUIWDWZESKEQO-CYBMUJFWSA-N 0 1 366.273 4.159 50 30 FIEAMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140258 571123020 /nfs/dbraw/zinc/12/30/20/571123020.db2.gz YCBGHOUNPWPPJA-INIZCTEOSA-N 0 1 372.472 4.246 50 30 FIEAMN Oc1c(Br)cc(Br)cc1C=NNc1ccccc1 ZINC000006240636 571271558 /nfs/dbraw/zinc/27/15/58/571271558.db2.gz FKBPFCZKQVICQL-LZYBPNLTSA-N 0 1 370.044 4.363 50 30 FIEAMN COc1ccc(OC)c(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)c1 ZINC000006005390 571272706 /nfs/dbraw/zinc/27/27/06/571272706.db2.gz HMIWKSCAJFVHLA-VXLYETTFSA-N 0 1 374.853 4.160 50 30 FIEAMN Cc1c(C#N)c(=O)[nH]cc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000072428389 571319190 /nfs/dbraw/zinc/31/91/90/571319190.db2.gz AHMPJLOUAUQJCT-UHFFFAOYSA-N 0 1 373.412 4.032 50 30 FIEAMN N#Cc1ccccc1C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000077303460 571320996 /nfs/dbraw/zinc/32/09/96/571320996.db2.gz FHIRHFMNDQCJOK-UHFFFAOYSA-N 0 1 374.419 4.107 50 30 FIEAMN COc1ccc(CN(Cc2ccc(C#N)cc2OC(F)F)C2CC2)cc1 ZINC000095409433 571329393 /nfs/dbraw/zinc/32/93/93/571329393.db2.gz CMFGDMCLECPTHC-UHFFFAOYSA-N 0 1 358.388 4.333 50 30 FIEAMN COc1cc(C(C)=NN=c2[nH]c3ccccc3n2C)ccc1OC(F)F ZINC000263629194 1103100964 /nfs/dbraw/zinc/10/09/64/1103100964.db2.gz QTKDFKZDGYNCKV-UHFFFAOYSA-N 0 1 360.364 4.019 50 30 FIEAMN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)o1 ZINC000005338792 210229084 /nfs/dbraw/zinc/22/90/84/210229084.db2.gz XDIFVRQXTINFOC-GJUHEBOISA-N 0 1 353.418 4.142 50 30 biogenic FIEAMN C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103931 210169633 /nfs/dbraw/zinc/16/96/33/210169633.db2.gz YARGQHCCNDDVCC-OAQYLSRUSA-N 0 1 367.489 4.361 50 30 FIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000100930979 222258330 /nfs/dbraw/zinc/25/83/30/222258330.db2.gz KCRBZIYJUUNZTH-ATVHPVEESA-N 0 1 362.458 4.217 50 30 FIEAMN CCS[C@@H]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304987 521727773 /nfs/dbraw/zinc/72/77/73/521727773.db2.gz GGGTXVAZGFXVAT-AZUAARDMSA-N 0 1 373.566 4.156 50 30 FIEAMN COc1ccc(-c2n[nH]c(=S)n2N=CC(C)=Cc2ccco2)cc1OC ZINC000005828318 523173945 /nfs/dbraw/zinc/17/39/45/523173945.db2.gz DHCOSLAQMVNZKN-ULFXKVSISA-N 0 1 370.434 4.155 50 30 FIEAMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000007778851 525784946 /nfs/dbraw/zinc/78/49/46/525784946.db2.gz CEBRKYOCIDAPGD-HNNXBMFYSA-N 0 1 362.410 4.337 50 30 FIEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O ZINC000034377568 568594553 /nfs/dbraw/zinc/59/45/53/568594553.db2.gz LUNBIPKQPZWQIZ-CXDOIHPCSA-N 0 1 357.504 4.301 50 30 FIEAMN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccsc3)N(C)C)o2)cc1 ZINC000072238608 570536361 /nfs/dbraw/zinc/53/63/61/570536361.db2.gz 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ZINC000002321043 210390215 /nfs/dbraw/zinc/39/02/15/210390215.db2.gz YZPDNWMCHOUBFR-XSFVSMFZSA-N 0 1 351.479 4.336 50 30 FIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000001118051 210320180 /nfs/dbraw/zinc/32/01/80/210320180.db2.gz YCJVXBXUNFUQPF-QGZVFWFLSA-N 0 1 365.410 4.120 50 30 FIEAMN Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1 ZINC000100125647 222235877 /nfs/dbraw/zinc/23/58/77/222235877.db2.gz YEDMCQSYEAXODW-UHFFFAOYSA-N 0 1 357.841 4.293 50 30 FIEAMN Cc1ccc(NC(=O)C(O)=CC(=O)c2ccc(Br)cc2)cc1 ZINC000100330912 222241669 /nfs/dbraw/zinc/24/16/69/222241669.db2.gz DGYHZZAPFSGQHX-YBEGLDIGSA-N 0 1 360.207 4.021 50 30 FIEAMN C=CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 ZINC000027582479 519089273 /nfs/dbraw/zinc/08/92/73/519089273.db2.gz IHQGLXVGYWVLGC-UHFFFAOYSA-N 0 1 372.475 4.340 50 30 FIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 ZINC000017160923 526029119 /nfs/dbraw/zinc/02/91/19/526029119.db2.gz MSVAAEUGSWPWAL-HXUWFJFHSA-N 0 1 373.408 4.367 50 30 FIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000085901861 568302342 /nfs/dbraw/zinc/30/23/42/568302342.db2.gz JWGRSBYMWCYBHG-OALUTQOASA-N 0 1 362.820 4.126 50 30 FIEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccs1 ZINC000002601158 570526035 /nfs/dbraw/zinc/52/60/35/570526035.db2.gz HKHXNMGLXSNQJA-LBPRGKRZSA-N 0 1 374.468 4.049 50 30 FIEAMN CCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccccc2C)C1=O ZINC000033855370 570591681 /nfs/dbraw/zinc/59/16/81/570591681.db2.gz PSAJILIHHZSBRB-UAQCVPFCSA-N 0 1 351.475 4.239 50 30 FIEAMN Cc1ccc(NC(=O)C(=O)C(C#N)c2c(Cl)cccc2Cl)c(C)c1 ZINC000005681667 570633345 /nfs/dbraw/zinc/63/33/45/570633345.db2.gz XTBAOOGGELANLD-GFCCVEGCSA-N 0 1 361.228 4.425 50 30 FIEAMN Cc1ccc(NC(=O)C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c(C)c1 ZINC000005681667 570633352 /nfs/dbraw/zinc/63/33/52/570633352.db2.gz XTBAOOGGELANLD-GFCCVEGCSA-N 0 1 361.228 4.425 50 30 FIEAMN CCCC/C=N/N=C1/NC(=O)C(Cc2ccc(SC(F)F)cc2)S1 ZINC000005526169 570666584 /nfs/dbraw/zinc/66/65/84/570666584.db2.gz MRIQOVNUSJVFTK-PFHXIJNMSA-N 0 1 371.478 4.307 50 30 FIEAMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000005522924 570667027 /nfs/dbraw/zinc/66/70/27/570667027.db2.gz KOJRMKFPDPSVQK-KEBDBYFISA-N 0 1 364.352 4.260 50 30 FIEAMN N#CC(C(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000041543924 571112806 /nfs/dbraw/zinc/11/28/06/571112806.db2.gz WSDBQSXECOHTNE-LBPRGKRZSA-N 0 1 368.776 4.133 50 30 FIEAMN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)C1CC1)c1ccnc2ccccc21 ZINC000000732510 571166365 /nfs/dbraw/zinc/16/63/65/571166365.db2.gz LZEIKPVKWHAHNK-HIAJTZQDSA-N 0 1 362.473 4.126 50 30 FIEAMN CC(=O)c1ccc(CC2SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000005830382 571166438 /nfs/dbraw/zinc/16/64/38/571166438.db2.gz WRGNCISAXDCEQY-MRXNPFEDSA-N 0 1 358.850 4.004 50 30 FIEAMN COc1ccccc1-c1n[nH]c(NC(=O)CSCc2cccs2)n1 ZINC000052778726 571171189 /nfs/dbraw/zinc/17/11/89/571171189.db2.gz PYMYNJZMPULALP-UHFFFAOYSA-N 0 1 360.464 4.063 50 30 FIEAMN Cn1c2ccccc2nc1NN=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252625238 571288899 /nfs/dbraw/zinc/28/88/99/571288899.db2.gz QFUNGQULJZNSTL-UHFFFAOYSA-N 0 1 360.417 4.350 50 30 FIEAMN CC(C)Cc1nc(NC(=O)[C@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)n[nH]1 ZINC000095479635 571330985 /nfs/dbraw/zinc/33/09/85/571330985.db2.gz HEZJWYLPZNHZIZ-RHSMWYFYSA-N 0 1 368.481 4.307 50 30 FIEAMN CC(C)Cc1n[nH]c(NC(=O)[C@H](C)c2ccc(C[C@H]3CCCC3=O)cc2)n1 ZINC000095479635 571330986 /nfs/dbraw/zinc/33/09/86/571330986.db2.gz HEZJWYLPZNHZIZ-RHSMWYFYSA-N 0 1 368.481 4.307 50 30 FIEAMN CC(C)Cc1nc(C#N)c(NC[C@@H](c2cccs2)N2CCCCC2)o1 ZINC000028251135 571338832 /nfs/dbraw/zinc/33/88/32/571338832.db2.gz JGCZIVFQYJFTMH-INIZCTEOSA-N 0 1 358.511 4.445 50 30 FIEAMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000031776216 571353611 /nfs/dbraw/zinc/35/36/11/571353611.db2.gz WTNRSUHKBFJOAK-ODLFYWEKSA-N 0 1 367.434 4.230 50 30 FIEAMN C=C(C)C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(=C)C)cc3[nH]2)cc1 ZINC000005444058 210105213 /nfs/dbraw/zinc/10/52/13/210105213.db2.gz YXZYUJWBKISZEK-UHFFFAOYSA-N 0 1 360.417 4.259 50 30 FIEAMN N#CC1Nc2ccccc2N1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000020512688 211286037 /nfs/dbraw/zinc/28/60/37/211286037.db2.gz NEQXVANFSKQGCG-QGZVFWFLSA-N 0 1 363.402 4.000 50 30 FIEAMN NC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 ZINC000018106419 211192854 /nfs/dbraw/zinc/19/28/54/211192854.db2.gz HCGGKKKPEDTXAG-IFRROFPPSA-N 0 1 369.273 4.489 50 30 FIEAMN Cc1cccc(C)c1NC(=O)C(=O)C(C#N)c1c(Cl)cccc1Cl ZINC000001613748 210362724 /nfs/dbraw/zinc/36/27/24/210362724.db2.gz CSFWEHJLMRTVCG-GFCCVEGCSA-N 0 1 361.228 4.425 50 30 FIEAMN Cc1cccc(C)c1NC(=O)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl ZINC000001613748 210362728 /nfs/dbraw/zinc/36/27/28/210362728.db2.gz CSFWEHJLMRTVCG-GFCCVEGCSA-N 0 1 361.228 4.425 50 30 FIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(SC)cc2)cc1 ZINC000001241068 210338747 /nfs/dbraw/zinc/33/87/47/210338747.db2.gz SDCOMVXXKDHLTO-WOJGMQOQSA-N 0 1 356.476 4.220 50 30 FIEAMN CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Cl)c1Cl ZINC000000801863 210272911 /nfs/dbraw/zinc/27/29/11/210272911.db2.gz RUQUTWVEJBTWDR-HNNXBMFYSA-N 0 1 363.248 4.243 50 30 FIEAMN CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Cl)c1Cl ZINC000000801862 210272831 /nfs/dbraw/zinc/27/28/31/210272831.db2.gz RUQUTWVEJBTWDR-OAHLLOKOSA-N 0 1 363.248 4.243 50 30 FIEAMN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)C(C(=O)OC)=C1O ZINC000102872570 222312262 /nfs/dbraw/zinc/31/22/62/222312262.db2.gz JQEUIKXPLHWZCD-LUJYGJGBSA-N 0 1 373.449 4.168 50 30 FIEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC)c2)cc1 ZINC000006779048 520323245 /nfs/dbraw/zinc/32/32/45/520323245.db2.gz SPCIPTULBQGYFE-DEDYPNTBSA-N 0 1 368.462 4.287 50 30 FIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc1 ZINC000005859401 523454717 /nfs/dbraw/zinc/45/47/17/523454717.db2.gz YVTCZWICTGEAQU-UDWIEESQSA-N 0 1 368.462 4.286 50 30 FIEAMN CCCc1nc2ccccc2c(=O)n1N=CC1Sc2ccccc2C1=O ZINC000004872073 570553468 /nfs/dbraw/zinc/55/34/68/570553468.db2.gz SKDKMUOZAVSNBS-CIAFOILYSA-N 0 1 363.442 4.152 50 30 FIEAMN CCCC1S/C(=N/N=C/c2cccs2)N(Cc2ccccc2)C1=O ZINC000004898892 570556166 /nfs/dbraw/zinc/55/61/66/570556166.db2.gz OQAVORJZMXZSSV-YXUFTKHFSA-N 0 1 357.504 4.382 50 30 FIEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000004903625 570557311 /nfs/dbraw/zinc/55/73/11/570557311.db2.gz LFVQYSJCHCIVRM-MXWPMSCXSA-N 0 1 351.475 4.239 50 30 FIEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccc(F)cc2)c(C)c1 ZINC000004935923 570562489 /nfs/dbraw/zinc/56/24/89/570562489.db2.gz XMKWKFDLZXGMOH-AXIJFBNZSA-N 0 1 369.465 4.297 50 30 FIEAMN CC1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000004937989 570562803 /nfs/dbraw/zinc/56/28/03/570562803.db2.gz YQZCRTKHBZHVCY-QMNVRMOGSA-N 0 1 357.866 4.194 50 30 FIEAMN COc1cc(/C=C/C(=O)c2ccc3ccccc3c2O)cc(OC)c1OC ZINC000003916262 570572236 /nfs/dbraw/zinc/57/22/36/570572236.db2.gz RWLQOFFOVBKUNG-DHZHZOJOSA-N 0 1 364.397 4.467 50 30 FIEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000013125944 570774177 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Cc1ccccc1CC1S/C(=N/N=C/c2cccc3ccccc23)NC1=O ZINC000004793495 219606873 /nfs/dbraw/zinc/60/68/73/219606873.db2.gz KYNXUEYFIYCOPV-BTVXTAIASA-N 0 1 373.481 4.312 50 30 FIEAMN CCC1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000004898438 219621939 /nfs/dbraw/zinc/62/19/39/219621939.db2.gz OXASPXZINCQJBR-NUOSEKPUSA-N 0 1 361.467 4.131 50 30 FIEAMN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(F)cc1 ZINC000012860574 220037296 /nfs/dbraw/zinc/03/72/96/220037296.db2.gz YGYIUUJKYSQVLH-STQMWFEESA-N 0 1 371.481 4.173 50 30 FIEAMN CCOc1cc([C@@H]2c3c(C)n[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000013122553 220058585 /nfs/dbraw/zinc/05/85/85/220058585.db2.gz XCNAIYQYAIHNOS-GOSISDBHSA-N 0 1 367.449 4.023 50 30 FIEAMN N#Cc1ccc(OCCSc2nc(C=Cc3ccc(F)cc3)n[nH]2)cc1 ZINC000014897880 220135018 /nfs/dbraw/zinc/13/50/18/220135018.db2.gz LNPVZVRNZRWWGC-BJMVGYQFSA-N 0 1 366.421 4.157 50 30 FIEAMN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020573683 220333291 /nfs/dbraw/zinc/33/32/91/220333291.db2.gz WABAKMRZAIJNGU-VUFYJBQKSA-N 0 1 364.445 4.086 50 30 FIEAMN CC1=Nc2ccccc2NC(=NC(=O)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000050043875 221029865 /nfs/dbraw/zinc/02/98/65/221029865.db2.gz IYGZTCMEQLLOMR-QFIPXVFZSA-N 0 1 374.488 4.399 50 30 FIEAMN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(C#N)c2)on1 ZINC000064845535 221153353 /nfs/dbraw/zinc/15/33/53/221153353.db2.gz KUTBXQBIWAOUQG-UHFFFAOYSA-N 0 1 373.459 4.001 50 30 FIEAMN CCCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000002261093 521253948 /nfs/dbraw/zinc/25/39/48/521253948.db2.gz IDNWSNCVPCUSGH-BGBIMMFTSA-N 0 1 373.453 4.443 50 30 FIEAMN O=C1c2cc(Br)ccc2O/C1=C\c1ccc(O)c(Cl)c1 ZINC000299738256 527121625 /nfs/dbraw/zinc/12/16/25/527121625.db2.gz ODEDIBYBPOCSGB-NSIKDUERSA-N 0 1 351.583 4.424 50 30 FIEAMN CCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004936755 570563311 /nfs/dbraw/zinc/56/33/11/570563311.db2.gz YCPKIVUMIJASHD-UJCFSEKXSA-N 0 1 359.426 4.053 50 30 FIEAMN N#Cc1c(=O)[nH]c(SCc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000005238213 570638571 /nfs/dbraw/zinc/63/85/71/570638571.db2.gz QBUMTBXYPJJKKS-UHFFFAOYSA-N 0 1 371.824 4.393 50 30 FIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000005482651 570662587 /nfs/dbraw/zinc/66/25/87/570662587.db2.gz WJSYTJVVSMPQNC-MOPGFXCFSA-N 0 1 362.820 4.126 50 30 FIEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009110871 570691753 /nfs/dbraw/zinc/69/17/53/570691753.db2.gz RYKCERRKFJPUAT-NRFANRHFSA-N 0 1 369.420 4.465 50 30 FIEAMN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccs2)cc1 ZINC000029122442 571036774 /nfs/dbraw/zinc/03/67/74/571036774.db2.gz SRTTXSADWWZBNN-SFHVURJKSA-N 0 1 353.491 4.140 50 30 FIEAMN C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccccc1 ZINC000032617896 571059028 /nfs/dbraw/zinc/05/90/28/571059028.db2.gz METHVDVPWHMQJV-QQTULTPQSA-N 0 1 355.485 4.428 50 30 FIEAMN O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccc(Cl)c2)cc1 ZINC000006057160 571115490 /nfs/dbraw/zinc/11/54/90/571115490.db2.gz WGULVCUTPHRQNR-FYJGNVAPSA-N 0 1 371.849 4.286 50 30 FIEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccn1C ZINC000009042268 571204774 /nfs/dbraw/zinc/20/47/74/571204774.db2.gz INPMKGYYZKWCDW-NRFANRHFSA-N 0 1 363.461 4.188 50 30 biogenic FIEAMN S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(Br)cc1 ZINC000001245146 219392498 /nfs/dbraw/zinc/39/24/98/219392498.db2.gz IJWLJDZJESIQMV-LICLKQGHSA-N 0 1 359.252 4.252 50 30 FIEAMN COc1ccc2ccccc2c1C=Nn1c(=S)[nH]nc1-c1ccco1 ZINC000001478517 219409261 /nfs/dbraw/zinc/40/92/61/219409261.db2.gz FSOWESJRUMDVEP-YBFXNURJSA-N 0 1 350.403 4.245 50 30 FIEAMN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)o1 ZINC000013656043 220081774 /nfs/dbraw/zinc/08/17/74/220081774.db2.gz YMUCZYAOTJBNPJ-JQJDFSLLSA-N 0 1 367.445 4.388 50 30 biogenic FIEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020519050 220331965 /nfs/dbraw/zinc/33/19/65/220331965.db2.gz ZYBHPSDDIOOJIH-BKUYFWCQSA-N 0 1 372.424 4.035 50 30 FIEAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N ZINC000100903193 222256475 /nfs/dbraw/zinc/25/64/75/222256475.db2.gz PCPXKZRNFCXYCL-YVLHZVERSA-N 0 1 350.447 4.264 50 30 FIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000103087467 222320390 /nfs/dbraw/zinc/32/03/90/222320390.db2.gz MWGYEMCJWVSLBF-SELCWUDQSA-N 0 1 353.393 4.048 50 30 FIEAMN C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C ZINC000002651970 263326627 /nfs/dbraw/zinc/32/66/27/263326627.db2.gz GANGBYLNKNYSOD-UHFFFAOYSA-N 0 1 352.463 4.051 50 30 FIEAMN CCCCCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O ZINC000008424568 520015707 /nfs/dbraw/zinc/01/57/07/520015707.db2.gz SOWQHJAJLZKQSE-UHFFFAOYSA-N 0 1 372.509 4.423 50 30 FIEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005738395 520324102 /nfs/dbraw/zinc/32/41/02/520324102.db2.gz AAKVBSBUAPZSCC-UDWIEESQSA-N 0 1 356.426 4.418 50 30 FIEAMN CCOc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)ccc1O ZINC000001478809 520644084 /nfs/dbraw/zinc/64/40/84/520644084.db2.gz INQHIPWNSOHLPZ-VXLYETTFSA-N 0 1 374.853 4.248 50 30 FIEAMN CCOc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(Cl)c2)c1O ZINC000001478779 521316889 /nfs/dbraw/zinc/31/68/89/521316889.db2.gz KMHOCNOPWMPXOC-VXLYETTFSA-N 0 1 374.853 4.248 50 30 FIEAMN COc1ccc(C(=N)NOC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000004178305 523367142 /nfs/dbraw/zinc/36/71/42/523367142.db2.gz AQUZWDOOMOSOSQ-UHFFFAOYSA-N 0 1 374.440 4.081 50 30 FIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2c(F)cccc2Cl)cc1 ZINC000001473636 570500996 /nfs/dbraw/zinc/50/09/96/570500996.db2.gz NAHGDZXZBNSQEI-DJKKODMXSA-N 0 1 362.817 4.291 50 30 FIEAMN N#Cc1ccsc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000329036566 570521547 /nfs/dbraw/zinc/52/15/47/570521547.db2.gz CJUKWHPTHAABLV-RCCFBDPRSA-N 0 1 351.475 4.476 50 30 FIEAMN CCCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004935682 570562554 /nfs/dbraw/zinc/56/25/54/570562554.db2.gz XBKHCMRDLYHWMG-MHCYFFLUSA-N 0 1 355.463 4.304 50 30 FIEAMN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)o1 ZINC000002352930 571318978 /nfs/dbraw/zinc/31/89/78/571318978.db2.gz BCANTTZSWSQVNF-LPXFMOJISA-N 0 1 353.418 4.284 50 30 biogenic FIEAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000013011202 220052569 /nfs/dbraw/zinc/05/25/69/220052569.db2.gz OQFPCDDQAWFXAM-NRFANRHFSA-N 0 1 363.461 4.123 50 30 FIEAMN CCOc1cc([C@H]2c3c(C)n[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000013122552 220058699 /nfs/dbraw/zinc/05/86/99/220058699.db2.gz XCNAIYQYAIHNOS-SFHVURJKSA-N 0 1 367.449 4.023 50 30 FIEAMN CC(C)(C)/N=C1\[C@H](N2CCCC2)C(C)(C)C(=S)N1c1ccc(C#N)cc1 ZINC000015861658 220168824 /nfs/dbraw/zinc/16/88/24/220168824.db2.gz STYJFCPGDZDUQT-JKRPTORDSA-N 0 1 368.550 4.393 50 30 FIEAMN C=C(C)COc1c(CN[C@@H](C)c2c(C)nn(CC)c2C)cccc1OC ZINC000055245559 221062978 /nfs/dbraw/zinc/06/29/78/221062978.db2.gz BZWIUTMKONBEAY-HNNXBMFYSA-N 0 1 357.498 4.334 50 30 FIEAMN CN1CCc2ccc(C(=O)[C@H](C#N)c3nc4cc(Cl)ccc4s3)cc21 ZINC000097117154 222161811 /nfs/dbraw/zinc/16/18/11/222161811.db2.gz SCQMRWMRKMYEEN-AWEZNQCLSA-N 0 1 367.861 4.432 50 30 FIEAMN CN1CCc2ccc(C(=O)C(C#N)c3nc4cc(Cl)ccc4s3)cc21 ZINC000097117154 222161817 /nfs/dbraw/zinc/16/18/17/222161817.db2.gz SCQMRWMRKMYEEN-AWEZNQCLSA-N 0 1 367.861 4.432 50 30 FIEAMN COc1ccc(/C(C)=N\N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019773098 263376042 /nfs/dbraw/zinc/37/60/42/263376042.db2.gz OXEPDTAVGYGRFC-PLRJNAJWSA-N 0 1 373.500 4.390 50 30 FIEAMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)cc1OC ZINC000005959759 520853975 /nfs/dbraw/zinc/85/39/75/520853975.db2.gz AXTVPMPPLMESMI-UDWIEESQSA-N 0 1 368.462 4.206 50 30 FIEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020519355 523341952 /nfs/dbraw/zinc/34/19/52/523341952.db2.gz SZFZDBMNGLIXNL-MTJSOVHGSA-N 0 1 372.424 4.035 50 30 FIEAMN COc1ccccc1C=Nn1c(=S)[nH]nc1-c1cccc(OC(C)C)c1 ZINC000009088107 524326838 /nfs/dbraw/zinc/32/68/38/524326838.db2.gz YHNIVVHURNKEKE-UDWIEESQSA-N 0 1 368.462 4.286 50 30 FIEAMN O=C1c2cccc(Br)c2O/C1=C\c1ccc(O)c(Cl)c1 ZINC000299738273 527125537 /nfs/dbraw/zinc/12/55/37/527125537.db2.gz PSCUFJWOGZATPL-QPEQYQDCSA-N 0 1 351.583 4.424 50 30 FIEAMN CCC1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004950812 570566473 /nfs/dbraw/zinc/56/64/73/570566473.db2.gz ACPSFEZTRFDYIT-JOHJSAGNSA-N 0 1 369.465 4.378 50 30 FIEAMN CCSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004436384 570591227 /nfs/dbraw/zinc/59/12/27/570591227.db2.gz UTEFHJHKKGWFBP-CQSZACIVSA-N 0 1 360.508 4.110 50 30 FIEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(C)(C)C)ccc2O)c1O ZINC000004991133 570616661 /nfs/dbraw/zinc/61/66/61/570616661.db2.gz UTIOAFFBBPBWLU-RGVLZGJSSA-N 0 1 358.394 4.453 50 30 FIEAMN Cc1ccc(/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000005531920 570629936 /nfs/dbraw/zinc/62/99/36/570629936.db2.gz LKJFEVJLZCHMNR-HNNXBMFYSA-N 0 1 364.392 4.476 50 30 FIEAMN COc1ccccc1OCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000072312061 571079954 /nfs/dbraw/zinc/07/99/54/571079954.db2.gz IZKFBIBKFPYVRR-UHFFFAOYSA-N 0 1 363.379 4.076 50 30 FIEAMN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140467 571123109 /nfs/dbraw/zinc/12/31/09/571123109.db2.gz FXHMYQLSKARHOX-INIZCTEOSA-N 0 1 372.472 4.246 50 30 FIEAMN Fc1cccc(Cl)c1C=Nn1c(=S)[nH]nc1-c1ccccc1F ZINC000009087911 571237498 /nfs/dbraw/zinc/23/74/98/571237498.db2.gz VYHPREHQRMTHSR-UFWORHAWSA-N 0 1 350.781 4.421 50 30 FIEAMN CCc1ccc(-c2n[nH]c(SCCOc3ccc(C#N)cc3)n2)cc1 ZINC000036213237 571245261 /nfs/dbraw/zinc/24/52/61/571245261.db2.gz SKNDEJNLTYOHQU-UHFFFAOYSA-N 0 1 350.447 4.077 50 30 FIEAMN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)C1CC1)c1ccnc2ccccc21 ZINC000003999660 571276558 /nfs/dbraw/zinc/27/65/58/571276558.db2.gz LZEIKPVKWHAHNK-PMBVPFKGSA-N 0 1 362.473 4.126 50 30 FIEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002209788 571277637 /nfs/dbraw/zinc/27/76/37/571277637.db2.gz ROGFDQMMJNCVNA-GIJQJNRQSA-N 0 1 373.825 4.360 50 30 FIEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccccn1 ZINC000254797077 571344988 /nfs/dbraw/zinc/34/49/88/571344988.db2.gz DMKCSXSPFSKZOB-UHFFFAOYSA-N 0 1 356.017 4.063 50 30 FIEAMN O=[N+]([O-])c1cccc(CN=Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000004041955 571354451 /nfs/dbraw/zinc/35/44/51/571354451.db2.gz XNYGPCPHTYWRMD-AWQFTUOYSA-N 0 1 361.283 4.003 50 30 FIEAMN N#CC(C#N)C1(c2c(=O)[nH][nH]c2-c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000002285893 1122036050 /nfs/dbraw/zinc/03/60/50/1122036050.db2.gz RABBHMDJYHELBI-UHFFFAOYSA-N 0 1 358.445 4.140 50 30 FIEAMN Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006054243 219711848 /nfs/dbraw/zinc/71/18/48/219711848.db2.gz VTRUFSCFBTUTQA-GIJQJNRQSA-N 0 1 373.825 4.360 50 30 FIEAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000013011203 220052920 /nfs/dbraw/zinc/05/29/20/220052920.db2.gz OQFPCDDQAWFXAM-OAQYLSRUSA-N 0 1 363.461 4.123 50 30 FIEAMN CCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2C)C1=O ZINC000051366924 221036125 /nfs/dbraw/zinc/03/61/25/221036125.db2.gz BUDBDFURVCPBJC-REYLQNMUSA-N 0 1 355.463 4.222 50 30 FIEAMN COc1ccc(CC(=N)NOC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004682057 523865748 /nfs/dbraw/zinc/86/57/48/523865748.db2.gz DJWREDLGBDFYBX-UHFFFAOYSA-N 0 1 360.413 4.034 50 30 FIEAMN Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](c3ccccc3)C2)c1C ZINC000069701419 524523273 /nfs/dbraw/zinc/52/32/73/524523273.db2.gz LDGNGQACZQBIMW-OAQYLSRUSA-N 0 1 361.489 4.040 50 30 FIEAMN COc1cccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)c1 ZINC000005690101 525775640 /nfs/dbraw/zinc/77/56/40/525775640.db2.gz MGTJWDJEKYQBNN-UDWIEESQSA-N 0 1 368.462 4.286 50 30 FIEAMN N#CC(C(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2[nH]1 ZINC000048813207 526492842 /nfs/dbraw/zinc/49/28/42/526492842.db2.gz RCLWMYLGMZARSG-LBPRGKRZSA-N 0 1 362.776 4.361 50 30 FIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c(O)c1 ZINC000001473753 570501412 /nfs/dbraw/zinc/50/14/12/570501412.db2.gz ATSJUPWBIADYLG-DEDYPNTBSA-N 0 1 367.478 4.042 50 30 FIEAMN Cc1ccccc1CC1S/C(=N\N=C\c2cccc3ccccc23)NC1=O ZINC000004159983 570579163 /nfs/dbraw/zinc/57/91/63/570579163.db2.gz KYNXUEYFIYCOPV-RXULLKCLSA-N 0 1 373.481 4.312 50 30 FIEAMN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3ccccn3)nc3ccccc32)c1 ZINC000005091644 570583792 /nfs/dbraw/zinc/58/37/92/570583792.db2.gz XRFDASLFAFVUBY-LPYMAVHISA-N 0 1 370.372 4.046 50 30 FIEAMN C/C(=N\N1CCN(Cc2cccc3ccccc32)CC1)c1ccccc1O ZINC000004567516 570596487 /nfs/dbraw/zinc/59/64/87/570596487.db2.gz ZITRVRHEEJBNHL-HKOYGPOVSA-N 0 1 359.473 4.087 50 30 FIEAMN Cc1ccc(C)c(NC(=O)C(=O)C(C#N)c2c(Cl)cccc2Cl)c1 ZINC000005681978 570633322 /nfs/dbraw/zinc/63/33/22/570633322.db2.gz ZRRBYYIOLPSPFH-LBPRGKRZSA-N 0 1 361.228 4.425 50 30 FIEAMN Cc1ccc(C)c(NC(=O)C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000005681978 570633326 /nfs/dbraw/zinc/63/33/26/570633326.db2.gz ZRRBYYIOLPSPFH-LBPRGKRZSA-N 0 1 361.228 4.425 50 30 FIEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)c(C)c1 ZINC000034388893 570676525 /nfs/dbraw/zinc/67/65/25/570676525.db2.gz VLONDOVIFPMYKE-JIOQHACCSA-N 0 1 351.475 4.157 50 30 FIEAMN Cc1cccc(CC2SC(=NN=Cc3ccc(N(C)C)cc3)NC2=O)c1 ZINC000009089944 570691430 /nfs/dbraw/zinc/69/14/30/570691430.db2.gz CTYMNRVYFXAORD-LANLRWRYSA-N 0 1 366.490 4.066 50 30 FIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000009329915 570694148 /nfs/dbraw/zinc/69/41/48/570694148.db2.gz HHIWUSKQFVOMBL-SFHVURJKSA-N 0 1 353.393 4.204 50 30 FIEAMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000047343311 570886459 /nfs/dbraw/zinc/88/64/59/570886459.db2.gz VRPYVJUSDBFNDV-UHFFFAOYSA-N 0 1 357.373 4.295 50 30 FIEAMN N#CC(C(=O)C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000025574768 570997323 /nfs/dbraw/zinc/99/73/23/570997323.db2.gz RWQPIIGFNYJNOP-LBPRGKRZSA-N 0 1 366.726 4.174 50 30 FIEAMN CCN(CC)c1ccc(C=[NH+]Nc2nnc3c4cccc(C)c4nc-3[n-]2)cc1 ZINC000033941794 571067049 /nfs/dbraw/zinc/06/70/49/571067049.db2.gz YODUIVLFODVJNP-XKZIYDEJSA-N 0 1 373.464 4.107 50 30 FIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000009011868 571091278 /nfs/dbraw/zinc/09/12/78/571091278.db2.gz ZXPNQKLCTHUKAY-IBGZPJMESA-N 0 1 365.429 4.074 50 30 FIEAMN Oc1c(Br)cc(Br)cc1/C=N\c1cccnc1 ZINC000012475387 571172876 /nfs/dbraw/zinc/17/28/76/571172876.db2.gz UPUCMBYGXHVCQK-SOFYXZRVSA-N 0 1 356.017 4.063 50 30 FIEAMN CCOC(=O)c1sc2nccc(Nc3ccccc3)c2c1N=CN(C)C ZINC000252629072 571289399 /nfs/dbraw/zinc/28/93/99/571289399.db2.gz TYATVKQIPSSPBP-UHFFFAOYSA-N 0 1 368.462 4.438 50 30 FIEAMN Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000027664470 571319915 /nfs/dbraw/zinc/31/99/15/571319915.db2.gz MWSGKRSGCAYBKZ-GOSISDBHSA-N 0 1 362.433 4.364 50 30 FIEAMN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCCC3)o2)cc1 ZINC000027664471 571319971 /nfs/dbraw/zinc/31/99/71/571319971.db2.gz MWSGKRSGCAYBKZ-SFHVURJKSA-N 0 1 362.433 4.364 50 30 FIEAMN CCC(=NNc1nc2ccccc2n1C)c1cc(Br)ccc1O ZINC000254738706 1114422111 /nfs/dbraw/zinc/42/21/11/1114422111.db2.gz KCELRBSHCUFHTN-UHFFFAOYSA-N 0 1 373.254 4.268 50 30 FIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 ZINC000013208045 220061583 /nfs/dbraw/zinc/06/15/83/220061583.db2.gz MSVAAEUGSWPWAL-FQEVSTJZSA-N 0 1 373.408 4.367 50 30 FIEAMN CCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000051366875 221035645 /nfs/dbraw/zinc/03/56/45/221035645.db2.gz HRXBFBYTBLGFIV-ILZOBUCISA-N 0 1 355.438 4.070 50 30 FIEAMN C=CCOc1c(Cl)cc(CN[C@@H](CC)c2ccnn2C)cc1OCC ZINC000063847293 221143716 /nfs/dbraw/zinc/14/37/16/221143716.db2.gz RTZJJCPYOUMAEP-INIZCTEOSA-N 0 1 363.889 4.278 50 30 FIEAMN C=C(C)CN1CCN(c2cc(CCC)c(C#N)c3nc4ccccc4n32)CC1 ZINC000054360502 132303243 /nfs/dbraw/zinc/30/32/43/132303243.db2.gz PRUASTKNIRSEPP-UHFFFAOYSA-N 0 1 373.504 4.010 50 30 FIEAMN COc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019772971 263376597 /nfs/dbraw/zinc/37/65/97/263376597.db2.gz RUOIKHGKVSUZDP-JJIBRWJFSA-N 0 1 359.473 4.000 50 30 FIEAMN CCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019773123 263376641 /nfs/dbraw/zinc/37/66/41/263376641.db2.gz DNEDJZAWCFNVLY-XIEYBQDHSA-N 0 1 373.500 4.390 50 30 FIEAMN C=CCc1cccc(C=Nn2c(-c3ccc(C)cc3)n[nH]c2=S)c1O ZINC000001478074 519141391 /nfs/dbraw/zinc/14/13/91/519141391.db2.gz DLSLPFJDNWPCJO-UDWIEESQSA-N 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/nfs/dbraw/zinc/45/83/04/568458304.db2.gz VRPAYRQWTUCYNI-UHFFFAOYSA-N 0 1 354.498 4.463 50 30 FIEAMN N#Cc1ccsc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000329036564 570521613 /nfs/dbraw/zinc/52/16/13/570521613.db2.gz CJUKWHPTHAABLV-KZNAEPCWSA-N 0 1 351.475 4.476 50 30 FIEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccccc2C)cc1 ZINC000004889274 570555359 /nfs/dbraw/zinc/55/53/59/570555359.db2.gz YZHIHNNYLIGCBH-NZEMBNLVSA-N 0 1 351.475 4.157 50 30 FIEAMN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000003904688 570571486 /nfs/dbraw/zinc/57/14/86/570571486.db2.gz KMADAXARCORDGF-QFIPXVFZSA-N 0 1 362.429 4.222 50 30 FIEAMN O=[N+]([O-])c1ccc(C=NN=c2[nH]c3c(cc(Cl)cc3Cl)s2)s1 ZINC000004382710 570588374 /nfs/dbraw/zinc/58/83/74/570588374.db2.gz PMTUGDRYGZSCAB-PJQLUOCWSA-N 0 1 373.246 4.441 50 30 FIEAMN Cc1ccc(/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000005531938 570629888 /nfs/dbraw/zinc/62/98/88/570629888.db2.gz LKJFEVJLZCHMNR-OAHLLOKOSA-N 0 1 364.392 4.476 50 30 FIEAMN CCC1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000005791248 571111718 /nfs/dbraw/zinc/11/17/18/571111718.db2.gz ACPSFEZTRFDYIT-JCAVJTNVSA-N 0 1 369.465 4.378 50 30 FIEAMN CC1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc32)C1=O ZINC000006129738 571137136 /nfs/dbraw/zinc/13/71/36/571137136.db2.gz QDNYYBSBHHRRTN-PYUKZKILSA-N 0 1 363.442 4.287 50 30 FIEAMN CC1CCN([C@@H](C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000082131007 571165284 /nfs/dbraw/zinc/16/52/84/571165284.db2.gz ZNEWBLNWTSQKQN-HXUWFJFHSA-N 0 1 352.434 4.477 50 30 FIEAMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000006908430 571254116 /nfs/dbraw/zinc/25/41/16/571254116.db2.gz XIXIGWLSRXGUHD-NSHDSACASA-N 0 1 362.886 4.040 50 30 FIEAMN N#CC1C(=O)NC(=N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 ZINC000006927882 571254953 /nfs/dbraw/zinc/25/49/53/571254953.db2.gz BIPQNHCVEWTGLL-GOEBONIOSA-N 0 1 364.474 4.091 50 30 FIEAMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001478886 571277570 /nfs/dbraw/zinc/27/75/70/571277570.db2.gz WKMXFBXEHOVTBP-GIJQJNRQSA-N 0 1 373.825 4.360 50 30 FIEAMN C=CCc1cccc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)c1O ZINC000002522902 571277601 /nfs/dbraw/zinc/27/76/01/571277601.db2.gz UUSTXMITEPWKEV-RGVLZGJSSA-N 0 1 354.410 4.063 50 30 FIEAMN Cc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)o1 ZINC000002439484 571322296 /nfs/dbraw/zinc/32/22/96/571322296.db2.gz XDIFVRQXTINFOC-XTBHVRTMSA-N 0 1 353.418 4.142 50 30 biogenic FIEAMN O=[N+]([O-])c1ccc(C=NN=c2nc(-c3ccccc3)c3ccccc3[nH]2)o1 ZINC000004104455 571355289 /nfs/dbraw/zinc/35/52/89/571355289.db2.gz KOOQCQULJPBWDU-UDWIEESQSA-N 0 1 359.345 4.244 50 30 FIEAMN O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000006059879 219711430 /nfs/dbraw/zinc/71/14/30/219711430.db2.gz KLGBKTCWCOVZMV-FYJGNVAPSA-N 0 1 371.849 4.286 50 30 FIEAMN C[C@H](NCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(F)cc1 ZINC000012860568 220036588 /nfs/dbraw/zinc/03/65/88/220036588.db2.gz YGYIUUJKYSQVLH-OLZOCXBDSA-N 0 1 371.481 4.173 50 30 FIEAMN C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2cc(C)n[nH]2)cn1 ZINC000067713981 221275506 /nfs/dbraw/zinc/27/55/06/221275506.db2.gz XHYNUEDHVZKCTQ-QGZVFWFLSA-N 0 1 372.476 4.435 50 30 FIEAMN CCc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2n1 ZINC000097048807 222155609 /nfs/dbraw/zinc/15/56/09/222155609.db2.gz YCRAUVNOGZYLLB-UHFFFAOYSA-N 0 1 371.849 4.123 50 30 FIEAMN Cc1c([C@@H](C)NCc2ccc(C#CC(C)(C)O)cc2)cnn1-c1ccccc1 ZINC000012468257 263370802 /nfs/dbraw/zinc/37/08/02/263370802.db2.gz MDHHYZPBUVPWEB-GOSISDBHSA-N 0 1 373.500 4.154 50 30 FIEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000001819204 520323373 /nfs/dbraw/zinc/32/33/73/520323373.db2.gz IJQANIXFLNGWBH-DEDYPNTBSA-N 0 1 368.462 4.287 50 30 FIEAMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072304989 521726954 /nfs/dbraw/zinc/72/69/54/521726954.db2.gz GGGTXVAZGFXVAT-UYAOXDASSA-N 0 1 373.566 4.156 50 30 FIEAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C=Cc1c(F)cccc1F ZINC000147713986 525440288 /nfs/dbraw/zinc/44/02/88/525440288.db2.gz VSMVUBJFIOMHHI-FJVVXJACSA-N 0 1 364.351 4.360 50 30 FIEAMN Oc1cccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000239030665 526356215 /nfs/dbraw/zinc/35/62/15/526356215.db2.gz CEZSIEYRNYQISC-UHFFFAOYSA-N 0 1 369.468 4.114 50 30 FIEAMN N#Cc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019797723 526613521 /nfs/dbraw/zinc/61/35/21/526613521.db2.gz MSSLFKSANXBOHC-UHFFFAOYSA-N 0 1 367.496 4.465 50 30 FIEAMN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)Cc1ccc(Cl)cc1 ZINC000004682066 526813981 /nfs/dbraw/zinc/81/39/81/526813981.db2.gz UELLKKFKHBMXBM-UHFFFAOYSA-N 0 1 371.651 4.247 50 30 FIEAMN Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2C)cc1 ZINC000033912771 568559927 /nfs/dbraw/zinc/55/99/27/568559927.db2.gz YZHIHNNYLIGCBH-JIOQHACCSA-N 0 1 351.475 4.157 50 30 FIEAMN CCCCC1S/C(=N/N=C/c2ccco2)N(Cc2ccccc2)C1=O ZINC000004935685 570562433 /nfs/dbraw/zinc/56/24/33/570562433.db2.gz XBKHCMRDLYHWMG-XVEDWSDESA-N 0 1 355.463 4.304 50 30 FIEAMN Cc1cccc(C)c1NC(=O)C(=O)C(C#N)c1c(Cl)cccc1Cl ZINC000005711303 570633920 /nfs/dbraw/zinc/63/39/20/570633920.db2.gz CSFWEHJLMRTVCG-LBPRGKRZSA-N 0 1 361.228 4.425 50 30 FIEAMN Cc1cccc(C)c1NC(=O)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000005711303 570633924 /nfs/dbraw/zinc/63/39/24/570633924.db2.gz CSFWEHJLMRTVCG-LBPRGKRZSA-N 0 1 361.228 4.425 50 30 FIEAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N ZINC000102658393 570835162 /nfs/dbraw/zinc/83/51/62/570835162.db2.gz PCPXKZRNFCXYCL-LICLKQGHSA-N 0 1 350.447 4.264 50 30 FIEAMN CCN(CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000040135380 571083613 /nfs/dbraw/zinc/08/36/13/571083613.db2.gz GRHPYHKBBVQXFQ-HOTGVXAUSA-N 0 1 369.896 4.472 50 30 FIEAMN Cc1cccc(/N=C2\NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)n1 ZINC000001453125 571113912 /nfs/dbraw/zinc/11/39/12/571113912.db2.gz QMKLVHVBJIHFFL-ZDUSSCGKSA-N 0 1 366.273 4.159 50 30 FIEAMN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140469 571123175 /nfs/dbraw/zinc/12/31/75/571123175.db2.gz FXHMYQLSKARHOX-MRXNPFEDSA-N 0 1 372.472 4.246 50 30 FIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2F)cc1 ZINC000005694977 571214457 /nfs/dbraw/zinc/21/44/57/571214457.db2.gz IDOGFLWNNKGIOQ-FYJGNVAPSA-N 0 1 369.469 4.475 50 30 FIEAMN COc1ccccc1-c1n[nH]c(=S)n1N=Cc1c(F)cccc1Cl ZINC000006166196 571276585 /nfs/dbraw/zinc/27/65/85/571276585.db2.gz DUCRVTJLLPUYOG-DJKKODMXSA-N 0 1 362.817 4.291 50 30 FIEAMN CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O ZINC000002322388 571318078 /nfs/dbraw/zinc/31/80/78/571318078.db2.gz OXASPXZINCQJBR-SGKKMGNFSA-N 0 1 361.467 4.131 50 30 FIEAMN CCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2)C1=O ZINC000002328511 571318137 /nfs/dbraw/zinc/31/81/37/571318137.db2.gz OQAVORJZMXZSSV-KVBLSVFTSA-N 0 1 357.504 4.382 50 30 FIEAMN CCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000002343691 571318259 /nfs/dbraw/zinc/31/82/59/571318259.db2.gz YCPKIVUMIJASHD-RZBVUNJESA-N 0 1 359.426 4.053 50 30 FIEAMN N#Cc1c(=O)[nH]c(-c2cc(Br)ccc2O)cc1-c1ccccc1 ZINC000001017885 219353597 /nfs/dbraw/zinc/35/35/97/219353597.db2.gz 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CCCCC1S/C(=N\N=C\c2ccco2)N(Cc2ccccc2)C1=O ZINC000051366966 221035932 /nfs/dbraw/zinc/03/59/32/221035932.db2.gz XBKHCMRDLYHWMG-OJYKYLQSSA-N 0 1 355.463 4.304 50 30 FIEAMN CCc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(=O)[nH]2)cc1 ZINC000055142575 221060255 /nfs/dbraw/zinc/06/02/55/221060255.db2.gz BCQLAALLMCITOB-UHFFFAOYSA-N 0 1 360.413 4.160 50 30 FIEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000085901863 568302334 /nfs/dbraw/zinc/30/23/34/568302334.db2.gz JWGRSBYMWCYBHG-RBUKOAKNSA-N 0 1 362.820 4.126 50 30 FIEAMN Cc1ccc(/C=N/N=C2/SC(C)C(=O)N2Cc2ccccc2)c(C)c1 ZINC000004956009 570567234 /nfs/dbraw/zinc/56/72/34/570567234.db2.gz VLONDOVIFPMYKE-XMGNELRJSA-N 0 1 351.475 4.157 50 30 FIEAMN CC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O ZINC000033734316 570580316 /nfs/dbraw/zinc/58/03/16/570580316.db2.gz YQZCRTKHBZHVCY-CJARSDEPSA-N 0 1 357.866 4.194 50 30 FIEAMN O=[N+]([O-])c1cc(C=NNc2nnc(Cl)c3ccccc32)ccc1Cl ZINC000004853585 570610741 /nfs/dbraw/zinc/61/07/41/570610741.db2.gz 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