smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000000009110 581095350 /nfs/dbraw/zinc/09/53/50/581095350.db2.gz CZSDJYXNNJQXBB-GOSISDBHSA-N 0 0 347.458 5.979 1 30 in-vivo EKEFRN N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1 ZINC000000026403 581101093 /nfs/dbraw/zinc/10/10/93/581101093.db2.gz HJOUYAMEBCDGKK-UHFFFAOYSA-N 0 0 336.435 5.319 1 30 EKEFRN C=CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccccc1 ZINC000000429017 209595597 /nfs/dbraw/zinc/59/55/97/209595597.db2.gz JBGZJRKUBRXOPQ-UHFFFAOYSA-N 0 0 342.398 5.122 1 30 EKEFRN C=C(C)[C@H]1CC[C@@]2(C)C[C@@H]1c1c3[nH]c4ccccc4c3cc(C)c1O2 ZINC000001633855 571680803 /nfs/dbraw/zinc/68/08/03/571680803.db2.gz KXNHNLQCCJZSEK-TWWFPWMWSA-N 0 0 331.459 6.240 1 30 endogenous,in-man EKEFRN C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c3[nH]c4ccccc4c3cc(C)c2O1 ZINC000001634352 209771556 /nfs/dbraw/zinc/77/15/56/209771556.db2.gz SMFCNLXOVHSDML-NZQKXSOJSA-N 0 0 347.458 5.511 1 30 EKEFRN O=C1C=C(Sc2ccccc2)c2nccc3c4ccccc4nc1c32 ZINC000001651714 209773795 /nfs/dbraw/zinc/77/37/95/209773795.db2.gz JWINQZNPSAPACY-UHFFFAOYSA-N 0 0 340.407 5.113 1 30 EKEFRN C(=N/c1cc2cc(Sc3ccccc3)ccc2[nH]1)\c1ccccc1 ZINC000001660551 201516199 /nfs/dbraw/zinc/51/61/99/201516199.db2.gz UMEOQAFFXDDTCT-PXLXIMEGSA-N 0 0 328.440 6.070 1 30 EKEFRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000003228532 209982330 /nfs/dbraw/zinc/98/23/30/209982330.db2.gz PUDGGZZWHVHOOD-JHAVZTMOSA-N 0 0 333.460 5.285 1 30 EKEFRN Cc1cc(CCCOc2c(C)cc(-c3ccc(C#N)cc3)cc2C)on1 ZINC000003590508 210058753 /nfs/dbraw/zinc/05/87/53/210058753.db2.gz ROZXBKALYZKUSC-UHFFFAOYSA-N 0 0 346.430 5.150 1 30 EKEFRN Cc1cc(CCCOc2c(C)cc(-c3cccc(C#N)c3)cc2C)on1 ZINC000003590510 210058514 /nfs/dbraw/zinc/05/85/14/210058514.db2.gz HJHORDZFTLFNDP-UHFFFAOYSA-N 0 0 346.430 5.150 1 30 EKEFRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC1CC1 ZINC000003785396 210075101 /nfs/dbraw/zinc/07/51/01/210075101.db2.gz VFUUEBWDCNNJEJ-WLNPFYQQSA-N 0 0 328.496 5.066 1 30 EKEFRN O=C1/C(=C/c2cc(Br)cs2)CC[C@H]1C1CCCC1 ZINC000003895477 210086952 /nfs/dbraw/zinc/08/69/52/210086952.db2.gz PRFWNWIHKUESMB-OIOXUXFSSA-N 0 0 325.271 5.063 1 30 EKEFRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1ccno1 ZINC000003941503 210094280 /nfs/dbraw/zinc/09/42/80/210094280.db2.gz ODOKPGQFNOPGEE-SPAGYVKCSA-N 0 0 337.463 5.200 1 30 EKEFRN C=CCO[C@@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 ZINC000003942300 210094061 /nfs/dbraw/zinc/09/40/61/210094061.db2.gz AHCZZOJYVQVLQG-INIZCTEOSA-N 0 0 349.474 5.541 1 30 EKEFRN C=CC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000003955201 210095021 /nfs/dbraw/zinc/09/50/21/210095021.db2.gz CZSDJYXNNJQXBB-SFHVURJKSA-N 0 0 347.458 5.979 1 30 in-vivo EKEFRN Clc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000004920274 210324104 /nfs/dbraw/zinc/32/41/04/210324104.db2.gz QWZSEEDODRPGHV-CNHKJKLMSA-N 0 0 334.033 5.746 1 30 EKEFRN FC(F)(F)c1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1 ZINC000004920925 210324424 /nfs/dbraw/zinc/32/44/24/210324424.db2.gz HQKZGUCYPKFXNC-DNTJNYDQSA-N 0 0 333.140 5.458 1 30 EKEFRN Clc1ccc(NN=Cc2cccc(Br)c2)cc1Cl ZINC000004923626 210325278 /nfs/dbraw/zinc/32/52/78/210325278.db2.gz NCWUHBJWXQGWEZ-CAOOACKPSA-N 0 0 344.039 5.202 1 30 EKEFRN FC(F)(F)c1ccc(Cl)c(NN=Cc2cccc3ccccc23)c1 ZINC000004928307 210326181 /nfs/dbraw/zinc/32/61/81/210326181.db2.gz YHXIFPSMJSLVHV-FOKLQQMPSA-N 0 0 348.755 5.958 1 30 EKEFRN CSc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000005275140 210431894 /nfs/dbraw/zinc/43/18/94/210431894.db2.gz QFFISNWYHBENBE-CXUHLZMHSA-N 0 0 330.452 5.972 1 30 EKEFRN Cc1ccc(NC[C@H]2CC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000005741460 210528924 /nfs/dbraw/zinc/52/89/24/210528924.db2.gz RZUMYOMXSOOEAD-NWNNTGRJSA-N 0 0 325.839 5.123 1 30 EKEFRN CC1=C2C3=C(C)C(=O)C(C)(C)CC[C@@]3(C)[C@]2(C)CCC(C)(C)C1=O ZINC000005757549 201662819 /nfs/dbraw/zinc/66/28/19/201662819.db2.gz TYOPVGKOCFDHBV-FGZHOGPDSA-N 0 0 328.496 5.424 1 30 EKEFRN C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H]1c1c3[nH]c4ccccc4c3cc(C)c1O2 ZINC000005845726 571690439 /nfs/dbraw/zinc/69/04/39/571690439.db2.gz KXNHNLQCCJZSEK-WIRVKHDMSA-N 0 0 331.459 6.240 1 30 endogenous,in-man EKEFRN CC(C)(C)[C@H](c1ccccc1)C1C(=O)O[C@@H]2CCCCCC[C@@H]2C1=O ZINC000005950571 210565120 /nfs/dbraw/zinc/56/51/20/210565120.db2.gz MEFUCIOLCBAFPZ-YQVWRLOYSA-N 0 0 342.479 5.524 1 30 EKEFRN CCCC1(CCC)CC(=O)C([C@H](c2ccccc2)C(C)(C)C)C(=O)O1 ZINC000005972910 210570187 /nfs/dbraw/zinc/57/01/87/210570187.db2.gz VRYUZWBEMIRXTD-IBGZPJMESA-N 0 0 344.495 5.914 1 30 EKEFRN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc2ccccc2c1 ZINC000006238171 210604498 /nfs/dbraw/zinc/60/44/98/210604498.db2.gz MVGRGZOEEPMMEK-ZHACJKMWSA-N 0 0 327.210 6.043 1 30 EKEFRN CC[C@@H](c1ccccc1)C1C(=O)CC2(CCCCCCC2)OC1=O ZINC000006412046 210631590 /nfs/dbraw/zinc/63/15/90/210631590.db2.gz KXSOPYRQTUKYCZ-KRWDZBQOSA-N 0 0 328.452 5.422 1 30 EKEFRN CC[C@@H](c1ccccc1)C1C(=O)C[C@](CC)(c2ccccc2)OC1=O ZINC000006412055 210631435 /nfs/dbraw/zinc/63/14/35/210631435.db2.gz QLPPZBZJDFYNTO-PGRDOPGGSA-N 0 0 336.431 5.245 1 30 EKEFRN CC[C@H](c1ccccc1)C1C(=O)CC(CC(C)C)(CC(C)C)OC1=O ZINC000006424518 210633107 /nfs/dbraw/zinc/63/31/07/210633107.db2.gz HOFNTYBZLLQFBP-GOSISDBHSA-N 0 0 344.495 5.770 1 30 EKEFRN Cc1cc(C)c(C=NNc2cc(C(F)(F)F)ccc2Cl)c(C)c1 ZINC000006566170 210655823 /nfs/dbraw/zinc/65/58/23/210655823.db2.gz YHTQVBCWFQBISZ-LSFURLLWSA-N 0 0 340.776 5.730 1 30 EKEFRN Cc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000012126604 211299888 /nfs/dbraw/zinc/29/98/88/211299888.db2.gz XQNUPJAIVZMYNN-VXLYETTFSA-N 0 0 327.840 5.218 1 30 EKEFRN S=c1[nH]c(-c2ccccc2)cn1N=Cc1cccc2ccccc12 ZINC000012485825 201849893 /nfs/dbraw/zinc/84/98/93/201849893.db2.gz MUEJPLOMHIPDET-BKUYFWCQSA-N 0 0 329.428 5.248 1 30 EKEFRN C#CC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013470825 211562516 /nfs/dbraw/zinc/56/25/16/211562516.db2.gz LTVDMZKEGDEQLE-SFHVURJKSA-N 0 0 345.442 5.426 1 30 EKEFRN C#CC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013470828 211562962 /nfs/dbraw/zinc/56/29/62/211562962.db2.gz LTVDMZKEGDEQLE-GOSISDBHSA-N 0 0 345.442 5.426 1 30 EKEFRN Cc1cc(C)nc(NC(=S)N[C@H](C)c2cccc3ccccc32)c1 ZINC000013477178 201897587 /nfs/dbraw/zinc/89/75/87/201897587.db2.gz VMQUYOBCIRTVEG-OAHLLOKOSA-N 0 0 335.476 5.311 1 30 EKEFRN Cc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)C(=S)N2 ZINC000013488911 581092930 /nfs/dbraw/zinc/09/29/30/581092930.db2.gz YXOZMFMNOYPEFX-UHFFFAOYSA-N 0 0 338.501 5.550 1 30 EKEFRN C=CC[C@H]1Oc2cccc(O)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013493592 211567695 /nfs/dbraw/zinc/56/76/95/211567695.db2.gz WISJIBWIQKICSR-QGZVFWFLSA-N 0 0 333.431 5.676 1 30 EKEFRN C=CC[C@H]1Oc2cccc(C=C)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013493610 211568027 /nfs/dbraw/zinc/56/80/27/211568027.db2.gz CPUIRDMVUBPAPK-LJQANCHMSA-N 0 0 343.470 6.614 1 30 EKEFRN C#Cc1cccc2c1-c1ccc3c(c1[C@@H](CC=C)O2)C(C)=CC(C)(C)N3 ZINC000013493612 211568335 /nfs/dbraw/zinc/56/83/35/211568335.db2.gz QOOAVFNQEWFRQY-LJQANCHMSA-N 0 0 341.454 5.952 1 30 EKEFRN C#Cc1cccc2c1-c1ccc3c(c1[C@H](CC=C)O2)C(C)=CC(C)(C)N3 ZINC000013493613 211568008 /nfs/dbraw/zinc/56/80/08/211568008.db2.gz QOOAVFNQEWFRQY-IBGZPJMESA-N 0 0 341.454 5.952 1 30 EKEFRN N#CC1(c2ccccc2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013553182 201900192 /nfs/dbraw/zinc/90/01/92/201900192.db2.gz VIMOYODZPQZREG-UHFFFAOYSA-N 0 0 345.273 5.051 1 30 EKEFRN CCCCCC#Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013557630 211578598 /nfs/dbraw/zinc/57/85/98/211578598.db2.gz PYCLMAJRHLLHNO-RTBURBONSA-N 0 0 338.491 5.935 1 30 EKEFRN C#CCCCC#Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013557651 211578936 /nfs/dbraw/zinc/57/89/36/211578936.db2.gz HPQPYESBKSHCLE-RTBURBONSA-N 0 0 334.459 5.158 1 30 EKEFRN CCC(Nc1ccccc1OC)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000013571384 201901874 /nfs/dbraw/zinc/90/18/74/201901874.db2.gz QRBCKJATBNSBEN-WKRZDEFASA-N 0 0 349.430 5.137 1 30 EKEFRN O=C(CCCCCCS)Nc1cccc(Oc2ccccc2)c1 ZINC000013609373 581101925 /nfs/dbraw/zinc/10/19/25/581101925.db2.gz ROYJJMKEQBVKFP-UHFFFAOYSA-N 0 0 329.465 5.298 1 30 EKEFRN FC(F)(F)c1ccc(/C=N/Oc2ccccc2C(F)(F)F)cc1 ZINC000013611042 211591327 /nfs/dbraw/zinc/59/13/27/211591327.db2.gz FXADUYFLAMWWDW-LSFURLLWSA-N 0 0 333.231 5.137 1 30 EKEFRN FC(F)(F)c1ccccc1O/N=C/c1cc(Cl)cc(Cl)c1 ZINC000013611047 211591502 /nfs/dbraw/zinc/59/15/02/211591502.db2.gz ACWAOGOIDIVSNS-DNTJNYDQSA-N 0 0 334.124 5.425 1 30 EKEFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccco1)C2=O ZINC000013681703 211608636 /nfs/dbraw/zinc/60/86/36/211608636.db2.gz XNYIVIZCVPCSSI-XZCHBVSMSA-N 0 0 348.442 5.104 1 30 EKEFRN CCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000013736399 211626552 /nfs/dbraw/zinc/62/65/52/211626552.db2.gz UYOQAIUOBLCZNG-XIBJKWCDSA-N 0 0 342.523 5.504 1 30 EKEFRN CCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000013746841 211631216 /nfs/dbraw/zinc/63/12/16/211631216.db2.gz TYNLGMGANHYOFS-CIHYYMKPSA-N 0 0 340.507 5.280 1 30 EKEFRN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1 ZINC000013780211 211637470 /nfs/dbraw/zinc/63/74/70/211637470.db2.gz DCZZBGIVZGGJDO-ZSXPUABSSA-N 0 0 330.468 5.164 1 30 EKEFRN C#CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC ZINC000013782508 211638124 /nfs/dbraw/zinc/63/81/24/211638124.db2.gz JEBXKPDQLHOFKK-GKFVBPDJSA-N 0 0 341.539 5.882 1 30 EKEFRN C=C[C@](C)(O)CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000013783696 211637866 /nfs/dbraw/zinc/63/78/66/211637866.db2.gz WCNCDVQMEQJFGH-BZEYQNPTSA-N 0 0 348.527 5.044 1 30 EKEFRN C=C[C@](C)(O)CC[C@H]1C(=C)C[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]21C ZINC000013783697 211638054 /nfs/dbraw/zinc/63/80/54/211638054.db2.gz WCNCDVQMEQJFGH-DMPNSMEDSA-N 0 0 348.527 5.044 1 30 EKEFRN COc1cccc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c21 ZINC000013862196 201919206 /nfs/dbraw/zinc/91/92/06/201919206.db2.gz LGSGKTRLJFISDW-UHFFFAOYSA-N 0 0 344.201 5.165 1 30 EKEFRN COc1ccc2c(c1)ncc(C#N)c2Nc1ccc(Cl)cc1Cl ZINC000013862198 211652433 /nfs/dbraw/zinc/65/24/33/211652433.db2.gz KMKWLRZDVAXHFT-UHFFFAOYSA-N 0 0 344.201 5.165 1 30 EKEFRN C#C[C@H](O)/C=C/CCCCCCCCC/C=C/CCCCC(C)C ZINC000013894340 211655648 /nfs/dbraw/zinc/65/56/48/211655648.db2.gz SHZQEBVNRJHIDY-MDUJGBEASA-N 0 0 332.572 6.820 1 30 EKEFRN C=CCO[C@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 ZINC000013975733 211662503 /nfs/dbraw/zinc/66/25/03/211662503.db2.gz AHCZZOJYVQVLQG-MRXNPFEDSA-N 0 0 349.474 5.541 1 30 EKEFRN CC(C)=CCOc1ccc(CCNC(=O)C=Cc2ccccc2)cc1 ZINC000014502773 571711230 /nfs/dbraw/zinc/71/12/30/571711230.db2.gz GDBYZGRXGDJMHH-RAXLEYEMSA-N 0 0 335.447 5.244 1 30 endogenous,in-man EKEFRN C=C(C)[C@H]1CC[C@H](C)C[C@@H]1c1c(O)cc(/C=C/c2ccccc2)cc1O ZINC000014584420 211745463 /nfs/dbraw/zinc/74/54/63/211745463.db2.gz IJEYJQAPQVCFJK-FDJBNOADSA-N 0 0 348.486 6.364 1 30 EKEFRN CCC[C@@H]1CCCCCCCCCCCC#Cc2cc(O)c1c(O)c2 ZINC000014615675 211749435 /nfs/dbraw/zinc/74/94/35/211749435.db2.gz HHFZKMAGUORSAM-HXUWFJFHSA-N 0 0 342.523 6.638 1 30 EKEFRN C=C(C)[C@@H](O)CC/C(C)=C/CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1 ZINC000015120194 560228626 /nfs/dbraw/zinc/22/86/26/560228626.db2.gz WZLRGCNVNAHRNP-KYFCDRMLSA-N 0 0 342.479 5.309 1 30 biogenic,in-vitro EKEFRN C=C(CCC=C(C)C)[C@@H](O)CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1 ZINC000015120198 211804482 /nfs/dbraw/zinc/80/44/82/211804482.db2.gz RXKAJVPBSTXEAH-UGKGYDQZSA-N 0 0 342.479 5.309 1 30 biogenic,in-vitro EKEFRN CC(C)=C(C)c1cc(CC(O)=C(C)C(=O)C(C)C)cc(C(C)C)c1 ZINC000015120960 291014767 /nfs/dbraw/zinc/01/47/67/291014767.db2.gz NRKPQDAKPVCBIF-FXBPSFAMSA-N 0 0 328.496 6.223 1 30 biogenic,in-vitro EKEFRN C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1 ZINC000015167946 291014477 /nfs/dbraw/zinc/01/44/77/291014477.db2.gz DCZZBGIVZGGJDO-QIJZPMMNSA-N 0 0 330.468 5.164 1 30 biogenic,in-vitro EKEFRN C=C1CC2(C[C@H](c3ccccc3C)O[C@H](c3ccccc3C)C2)OC1=O ZINC000017176264 211959109 /nfs/dbraw/zinc/95/91/09/211959109.db2.gz BLHJWESERKQLRX-TYABSZSSSA-N 0 0 348.442 5.138 1 30 EKEFRN C/C(c1ccccc1)=C1/CCC[C@@]2(N=NC[C@@H]2c2ccccc2)C1=O ZINC000017217514 211960699 /nfs/dbraw/zinc/96/06/99/211960699.db2.gz PZYROHBPGUQZHB-RIOJQXCRSA-N 0 0 330.431 5.202 1 30 EKEFRN O=C(/C=C/c1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000020619915 212157067 /nfs/dbraw/zinc/15/70/67/212157067.db2.gz YLTBCGVZQRCQTQ-FPYGCLRLSA-N 0 0 343.213 5.075 1 30 EKEFRN O=C(/C=C/c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl ZINC000020619917 212157556 /nfs/dbraw/zinc/15/75/56/212157556.db2.gz CJUWCQRHWFPLGN-FPYGCLRLSA-N 0 0 343.213 5.075 1 30 EKEFRN CC(C)(C)c1cc(C(=O)/C=C/c2ccsc2)cc(C(C)(C)C)c1O ZINC000025987429 212504580 /nfs/dbraw/zinc/50/45/80/212504580.db2.gz CHYVJBHFONPIEQ-BQYQJAHWSA-N 0 0 342.504 5.945 1 30 EKEFRN N#Cc1cnc2ccccc2c1Nc1ccc(Oc2ccccc2)cc1 ZINC000026718960 202147952 /nfs/dbraw/zinc/14/79/52/202147952.db2.gz NOUNORLHGGWAFT-UHFFFAOYSA-N 0 0 337.382 5.642 1 30 EKEFRN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@H](C)CC1(C)C ZINC000026830844 202148740 /nfs/dbraw/zinc/14/87/40/202148740.db2.gz MWDQFHABPLZPFH-BTQBUTCKSA-N 0 0 342.479 5.116 1 30 EKEFRN O=C1c2ccccc2CCC/C1=C\c1ccccc1Br ZINC000026834168 202149123 /nfs/dbraw/zinc/14/91/23/202149123.db2.gz BUZWGWLSTGTUDD-NTCAYCPXSA-N 0 0 327.221 5.052 1 30 EKEFRN Cc1ccccc1C(Cl)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000027631364 202159043 /nfs/dbraw/zinc/15/90/43/202159043.db2.gz XHFJXTYNOASQHS-ZHZULCJRSA-N 0 0 348.060 5.968 1 30 EKEFRN N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000027732553 581098584 /nfs/dbraw/zinc/09/85/84/581098584.db2.gz NVWTWHYQHRAFNN-UHFFFAOYSA-N 0 0 339.373 5.421 1 30 EKEFRN C#CCCCC#CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 ZINC000027755614 212576511 /nfs/dbraw/zinc/57/65/11/212576511.db2.gz QARPDWGQLMFMNV-PMACEKPBSA-N 0 0 348.486 5.353 1 30 EKEFRN Cc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)O[C@H](C)N2 ZINC000027874497 202161164 /nfs/dbraw/zinc/16/11/64/202161164.db2.gz QSPLZUUZOGZOSA-CQSZACIVSA-N 0 0 338.476 5.543 1 30 EKEFRN Cc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)O[C@@H](C)N2 ZINC000027874500 581092934 /nfs/dbraw/zinc/09/29/34/581092934.db2.gz QSPLZUUZOGZOSA-AWEZNQCLSA-N 0 0 338.476 5.543 1 30 EKEFRN CC(C)(CC#N)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000028217903 202167198 /nfs/dbraw/zinc/16/71/98/202167198.db2.gz STYCGLYGLVCTNG-UHFFFAOYSA-N 0 0 337.854 5.220 1 30 EKEFRN C[C@@]12CCC(=O)C=C1CCC[C@@H]2[C@@H](O)c1csc2ccccc21 ZINC000028392171 202170511 /nfs/dbraw/zinc/17/05/11/202170511.db2.gz XJGJOFOQGLCOBZ-YZGWKJHDSA-N 0 0 326.461 5.030 1 30 EKEFRN C[C@]12CCC(=O)C=C1CCC[C@@H]2[C@@H](O)c1csc2ccccc21 ZINC000028392177 212617441 /nfs/dbraw/zinc/61/74/41/212617441.db2.gz XJGJOFOQGLCOBZ-HOJAQTOUSA-N 0 0 326.461 5.030 1 30 EKEFRN C[C@@]12CCC(=O)C=C1CCC[C@H]2[C@@H](O)c1csc2ccccc21 ZINC000028392183 581092556 /nfs/dbraw/zinc/09/25/56/581092556.db2.gz XJGJOFOQGLCOBZ-YSIASYRMSA-N 0 0 326.461 5.030 1 30 EKEFRN C[C@]12CCC(=O)C=C1CCC[C@H]2[C@@H](O)c1csc2ccccc21 ZINC000028392189 581092505 /nfs/dbraw/zinc/09/25/05/581092505.db2.gz XJGJOFOQGLCOBZ-IHPCNDPISA-N 0 0 326.461 5.030 1 30 EKEFRN O=C(/C=C/c1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000028477165 202171107 /nfs/dbraw/zinc/17/11/07/202171107.db2.gz UMGVJSGWIBVCKQ-LFIBNONCSA-N 0 0 342.398 5.227 1 30 EKEFRN C=CCOc1ccc(/C=C/[C@H](CC)c2ccc(OC)cc2OC)cc1 ZINC000028566628 212624940 /nfs/dbraw/zinc/62/49/40/212624940.db2.gz URHNPTNGEORDOB-HKMNZKMDSA-N 0 0 338.447 5.476 1 30 EKEFRN C=CCOc1ccc(CC[C@@H](C=C)c2ccc(OC)cc2OC)cc1 ZINC000028566644 212625162 /nfs/dbraw/zinc/62/51/62/212625162.db2.gz IIIOEKNRYMTHRF-GOSISDBHSA-N 0 0 338.447 5.171 1 30 EKEFRN C=CCOc1ccc(CC[C@H](CC)c2ccc(OC)cc2OC)cc1 ZINC000028566648 212625008 /nfs/dbraw/zinc/62/50/08/212625008.db2.gz AMIQEEDNZBUDIQ-SFHVURJKSA-N 0 0 340.463 5.395 1 30 EKEFRN C=C[C@H](/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC ZINC000028567204 212624831 /nfs/dbraw/zinc/62/48/31/212624831.db2.gz HBASQMTVTYRDLA-URWSZGRFSA-N 0 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/nfs/dbraw/zinc/17/94/89/202179489.db2.gz RQJGPNVEXHNLIT-MNDPQUGUSA-N 0 0 334.485 5.029 1 30 EKEFRN CSC(=S)N1C[C@@H](C)CS/C1=N\c1ccccc1C(C)C ZINC000028948378 202179412 /nfs/dbraw/zinc/17/94/12/202179412.db2.gz LOAUJIZCCYJZSB-UWENYHRYSA-N 0 0 338.567 5.130 1 30 EKEFRN CSC(=S)N1CC[C@@H](C)S/C1=N\c1ccccc1C(C)C ZINC000028948382 212644897 /nfs/dbraw/zinc/64/48/97/212644897.db2.gz QYZRCXHQGDZDMO-UWENYHRYSA-N 0 0 338.567 5.273 1 30 EKEFRN c1sc(N=NC2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000028951703 202179467 /nfs/dbraw/zinc/17/94/67/202179467.db2.gz DIBDYXHTFJCYJP-UHFFFAOYSA-N 0 0 333.460 5.819 1 30 EKEFRN COc1ccc2c(c1)nc1occc1c2Sc1ccc(C#N)cc1 ZINC000029044152 202179944 /nfs/dbraw/zinc/17/99/44/202179944.db2.gz SHQCVNRLBHRXCY-UHFFFAOYSA-N 0 0 332.384 5.012 1 30 EKEFRN N#Cc1cccc(F)c1-c1nc2c([nH]1)c1ccccc1c1ccccc21 ZINC000029136262 212654207 /nfs/dbraw/zinc/65/42/07/212654207.db2.gz NMEZHNSZVWNGKS-UHFFFAOYSA-N 0 0 337.357 5.547 1 30 EKEFRN N#Cc1cccc(C#N)c1-c1nc2c([nH]1)c1ccccc1c1ccccc21 ZINC000029136307 202181462 /nfs/dbraw/zinc/18/14/62/202181462.db2.gz GWGRSXHVQFNJRE-UHFFFAOYSA-N 0 0 344.377 5.280 1 30 EKEFRN COC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)SC(C)C ZINC000029307252 212660968 /nfs/dbraw/zinc/66/09/68/212660968.db2.gz VBLSYIOIBLWBCG-UQHDCKCOSA-N 0 0 326.546 5.779 1 30 EKEFRN COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)SC(C)C ZINC000029307258 202184164 /nfs/dbraw/zinc/18/41/64/202184164.db2.gz VBLSYIOIBLWBCG-GYMWBFJFSA-N 0 0 326.546 5.779 1 30 EKEFRN CCSC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)(C)OC(C)=O ZINC000029313210 212661471 /nfs/dbraw/zinc/66/14/71/212661471.db2.gz ZFSKBVPBDURXLN-KSTBUPHCSA-N 0 0 340.529 5.307 1 30 EKEFRN CCSC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)(C)OC(C)=O ZINC000029313216 202184323 /nfs/dbraw/zinc/18/43/23/202184323.db2.gz ZFSKBVPBDURXLN-VQTLTRSMSA-N 0 0 340.529 5.307 1 30 EKEFRN Fc1ccc(-c2csc(N=NCc3cccc4ccccc43)n2)cc1 ZINC000031904342 212756757 /nfs/dbraw/zinc/75/67/57/212756757.db2.gz HEOLULZKLUDOPG-UUYOSTAYSA-N 0 0 347.418 5.548 1 30 EKEFRN O=C(/C=C/c1ccc2ccccc2c1)/C=C/c1ccc2ccccc2c1 ZINC000033845670 212965499 /nfs/dbraw/zinc/96/54/99/212965499.db2.gz CKKPHXZAMHRIFO-JOBJLJCHSA-N 0 0 334.418 6.289 1 30 EKEFRN CCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl ZINC000033855477 202270396 /nfs/dbraw/zinc/27/03/96/202270396.db2.gz DYMJOVQPPULWRB-UHFFFAOYSA-N 0 0 341.021 5.267 1 30 EKEFRN C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\CCCCC(C)C ZINC000033917268 212970524 /nfs/dbraw/zinc/97/05/24/212970524.db2.gz SHZQEBVNRJHIDY-FMHRVBLCSA-N 0 0 332.572 6.820 1 30 EKEFRN CC(=NNc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000033938832 202271654 /nfs/dbraw/zinc/27/16/54/202271654.db2.gz QMWFQYVLWCQHDV-NVNXTCNLSA-N 0 0 329.650 5.000 1 30 EKEFRN CCCC[C@]12Cc3cc(O)ccc3C1=C(c1ccccc1)C(=O)CC2 ZINC000034020667 581093292 /nfs/dbraw/zinc/09/32/92/581093292.db2.gz JTOVSRDMFFEVOJ-QHCPKHFHSA-N 0 0 332.443 5.399 1 30 EKEFRN CCCC[C@@]12Cc3cc(O)ccc3C1=C(c1ccccc1)C(=O)CC2 ZINC000034020668 581093329 /nfs/dbraw/zinc/09/33/29/581093329.db2.gz JTOVSRDMFFEVOJ-HSZRJFAPSA-N 0 0 332.443 5.399 1 30 EKEFRN CCCC[C@]12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 ZINC000034029176 202271133 /nfs/dbraw/zinc/27/11/33/202271133.db2.gz LPDMMXAJXUHKPL-NRFANRHFSA-N 0 0 338.472 5.460 1 30 EKEFRN CCCC[C@@]12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 ZINC000034029177 202271168 /nfs/dbraw/zinc/27/11/68/202271168.db2.gz LPDMMXAJXUHKPL-OAQYLSRUSA-N 0 0 338.472 5.460 1 30 EKEFRN CCCCC1=C2c3ccc(O)cc3C[C@]2(Cc2ccccc2)CCC1=O ZINC000034633861 581094557 /nfs/dbraw/zinc/09/45/57/581094557.db2.gz WZNQNUWHNJHSGU-XMMPIXPASA-N 0 0 346.470 5.484 1 30 EKEFRN CCCCC1=C2c3ccc(O)cc3C[C@@]2(Cc2ccccc2)CCC1=O ZINC000034633862 581094584 /nfs/dbraw/zinc/09/45/84/581094584.db2.gz WZNQNUWHNJHSGU-DEOSSOPVSA-N 0 0 346.470 5.484 1 30 EKEFRN CC(C)=CCCC(C)=CC(=O)CC(C)=CCc1cc(O)cc(C)c1O ZINC000034646940 202273424 /nfs/dbraw/zinc/27/34/24/202273424.db2.gz GRTPGCZAKYXPOK-KGRMTDPISA-N 0 0 342.479 5.547 1 30 EKEFRN C[C@@]12CCC(=O)C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc21 ZINC000034802032 581092623 /nfs/dbraw/zinc/09/26/23/581092623.db2.gz XJGJOFOQGLCOBZ-MISYRCLQSA-N 0 0 326.461 5.030 1 30 EKEFRN C[C@]12CCC(=O)C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc21 ZINC000034802033 581092499 /nfs/dbraw/zinc/09/24/99/581092499.db2.gz XJGJOFOQGLCOBZ-RLLQIKCJSA-N 0 0 326.461 5.030 1 30 EKEFRN C[C@@]12CCC(=O)C=C1CCC[C@H]2[C@H](O)c1csc2ccccc21 ZINC000034802034 581092579 /nfs/dbraw/zinc/09/25/79/581092579.db2.gz XJGJOFOQGLCOBZ-DFQSSKMNSA-N 0 0 326.461 5.030 1 30 EKEFRN C[C@]12CCC(=O)C=C1CCC[C@H]2[C@H](O)c1csc2ccccc21 ZINC000034802035 581092627 /nfs/dbraw/zinc/09/26/27/581092627.db2.gz XJGJOFOQGLCOBZ-SXLOBPIMSA-N 0 0 326.461 5.030 1 30 EKEFRN C=C1c2ccccc2O[C@H](C(=O)OCC)[C@@H]1C[C@H](CC)CCCC ZINC000034960946 213002060 /nfs/dbraw/zinc/00/20/60/213002060.db2.gz KQIZJPRVHYYCIL-POAQFYNOSA-N 0 0 330.468 5.247 1 30 EKEFRN C=CCc1ccc(Oc2c3ccccc3nc3c2CCCC3)c(OC)c1 ZINC000035015312 213005124 /nfs/dbraw/zinc/00/51/24/213005124.db2.gz RJTFZGXBLPTVFD-UHFFFAOYSA-N 0 0 345.442 5.643 1 30 EKEFRN C(=N/c1ccc(/N=C/c2ccccc2)c2ccccc12)\c1ccccc1 ZINC000035086218 202285844 /nfs/dbraw/zinc/28/58/44/202285844.db2.gz VWCZXIIPPIWFIV-RPCRKUJJSA-N 0 0 334.422 6.341 1 30 EKEFRN Cc1c2c(c(CCCCCC#N)c3c1Oc1ccccc1O3)C(=O)OC2 ZINC000035090777 202286988 /nfs/dbraw/zinc/28/69/88/202286988.db2.gz RFSCDWUGMHYIAM-UHFFFAOYSA-N 0 0 349.386 5.190 1 30 EKEFRN Cc1c2c(c(CCCCCC#N)c3c1Oc1ccccc1O3)COC2=O ZINC000035090909 202286232 /nfs/dbraw/zinc/28/62/32/202286232.db2.gz VSUSGGHSIATAIV-UHFFFAOYSA-N 0 0 349.386 5.190 1 30 EKEFRN CCCCCC(=CN=Nc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000035254184 519921002 /nfs/dbraw/zinc/92/10/02/519921002.db2.gz BUMDOOLPQZSRQM-MXXLVYNCSA-N 0 0 332.451 5.625 1 30 EKEFRN CC(=NNc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000035772125 213049109 /nfs/dbraw/zinc/04/91/09/213049109.db2.gz MNKCAFUTABSQHF-NKVSQWTQSA-N 0 0 347.167 5.848 1 30 EKEFRN CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000035788727 213049638 /nfs/dbraw/zinc/04/96/38/213049638.db2.gz QDUFYPUVIBGHLG-FHSDSALZSA-N 0 0 325.408 5.116 1 30 EKEFRN C=CCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1 ZINC000035845928 213050656 /nfs/dbraw/zinc/05/06/56/213050656.db2.gz MFQASGNLRRKBQG-HZJYTTRNSA-N 0 0 342.523 6.840 1 30 EKEFRN N#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F ZINC000035906311 213051398 /nfs/dbraw/zinc/05/13/98/213051398.db2.gz FYQBBZXBJDEXKR-UHFFFAOYSA-N 0 0 339.316 6.036 1 30 EKEFRN COc1cccc2c1C/C(=C\c1cc3cccc(C)c3nc1Cl)C2=O ZINC000035966054 213053344 /nfs/dbraw/zinc/05/33/44/213053344.db2.gz AVIFIVOREHNLTG-GXDHUFHOSA-N 0 0 349.817 5.028 1 30 EKEFRN CCCCCCCCCCCCCCC[NH2+]CCC[P@@](=O)([O-])O ZINC000036178191 213074793 /nfs/dbraw/zinc/07/47/93/213074793.db2.gz AFPYVDIMHNINIS-UHFFFAOYSA-N 0 0 349.496 5.235 1 30 EKEFRN CCCCCCCCCCCCCCC[C@H]([NH3+])CC[P@@](=O)([O-])O ZINC000036178256 213074288 /nfs/dbraw/zinc/07/42/88/213074288.db2.gz IHLGWTMHFNRKTD-SFHVURJKSA-N 0 0 349.496 5.363 1 30 EKEFRN CCCCCCCCCCCCCCC[C@@H]([NH3+])CC[P@@](=O)([O-])O ZINC000036178259 202318271 /nfs/dbraw/zinc/31/82/71/202318271.db2.gz IHLGWTMHFNRKTD-GOSISDBHSA-N 0 0 349.496 5.363 1 30 EKEFRN CCCCCCCCCCCCCC[N@H+](C)CCCP(=O)([O-])O ZINC000036178352 213076094 /nfs/dbraw/zinc/07/60/94/213076094.db2.gz GHGMOTNOPRPKKC-UHFFFAOYSA-N 0 0 349.496 5.187 1 30 EKEFRN CCCCCCCCCCOc1cccc([C@H](O)c2nc(C)c[nH]2)c1 ZINC000036222867 202319394 /nfs/dbraw/zinc/31/93/94/202319394.db2.gz SGHTWVMYULAHBV-FQEVSTJZSA-N 0 0 344.499 5.319 1 30 EKEFRN CCCCCCCCCCOc1cccc([C@@H](O)c2nc(C)c[nH]2)c1 ZINC000036222869 213076963 /nfs/dbraw/zinc/07/69/63/213076963.db2.gz SGHTWVMYULAHBV-HXUWFJFHSA-N 0 0 344.499 5.319 1 30 EKEFRN CCCCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000036294559 213082154 /nfs/dbraw/zinc/08/21/54/213082154.db2.gz RGXKCMQANRHRCO-RTBURBONSA-N 0 0 342.523 6.516 1 30 EKEFRN CCCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1 ZINC000036294647 202319961 /nfs/dbraw/zinc/31/99/61/202319961.db2.gz DQKOXMDLNBLQTB-IFMALSPDSA-N 0 0 330.556 6.733 1 30 in-vivo EKEFRN CCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)cc1 ZINC000036294651 213081853 /nfs/dbraw/zinc/08/18/53/213081853.db2.gz DQKOXMDLNBLQTB-RBBKRZOGSA-N 0 0 330.556 6.733 1 30 in-vivo EKEFRN CCCCCCCCCCCCNC(=O)NCC(C)(C)C(C)(C)C ZINC000036330549 202321331 /nfs/dbraw/zinc/32/13/31/202321331.db2.gz DSUQQCUFUUMVHI-UHFFFAOYSA-N 0 0 340.596 6.279 1 30 EKEFRN CCCCCCCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000036351966 213088003 /nfs/dbraw/zinc/08/80/03/213088003.db2.gz VJFYODCLTPGLMR-UHFFFAOYSA-N 0 0 346.474 6.000 1 30 in-vivo EKEFRN CCCCCCCCCCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000036351968 213087839 /nfs/dbraw/zinc/08/78/39/213087839.db2.gz QIODTOXMQFMJNV-UHFFFAOYSA-N 0 0 338.495 6.017 1 30 in-vivo EKEFRN CCCCC[C@]12Cc3ccccc3[C@H](O1)C1=C(CC(C)(C)CC1=O)O2 ZINC000036379219 213092212 /nfs/dbraw/zinc/09/22/12/213092212.db2.gz TWUGHQOJNFWWHI-RBBKRZOGSA-N 0 0 340.463 5.250 1 30 EKEFRN CNc1c(/C=N/O)ccc(-c2cccc(C)c2)c1-c1cccc(C)c1 ZINC000036471358 202326423 /nfs/dbraw/zinc/32/64/23/202326423.db2.gz ZPVURNIUWOMYFD-ZVHZXABRSA-N 0 0 330.431 5.487 1 30 EKEFRN CNc1c(/C=N/O)ccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1 ZINC000036471561 213099660 /nfs/dbraw/zinc/09/96/60/213099660.db2.gz NBZHYOGTCGREEN-ZVHZXABRSA-N 0 0 330.431 5.487 1 30 EKEFRN CCCCCCCNc1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000038142113 213202584 /nfs/dbraw/zinc/20/25/84/213202584.db2.gz GSJTWRADLZSLTN-SDNWHVSQSA-N 0 0 344.502 6.788 1 30 EKEFRN C=CCNC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C\CCCCC ZINC000038146548 213204369 /nfs/dbraw/zinc/20/43/69/213204369.db2.gz AWKMZCWRZDFTOY-AIBIWWTJSA-N 0 0 343.555 6.434 1 30 EKEFRN C#CCOCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCCC ZINC000038146753 213203780 /nfs/dbraw/zinc/20/37/80/213203780.db2.gz JJRDCGOPXAITEI-AIBIWWTJSA-N 0 0 328.540 6.782 1 30 EKEFRN C=CCCC/C=C\C=C\CCCCCCCCc1cc(O)cc(O)c1 ZINC000038266871 213206690 /nfs/dbraw/zinc/20/66/90/213206690.db2.gz CRWZHBSCOWOZJQ-NMMTYZSQSA-N 0 0 342.523 6.840 1 30 EKEFRN C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@H]23)C[C@H]1O ZINC000038477133 213208626 /nfs/dbraw/zinc/20/86/26/213208626.db2.gz QSLUXQQUPXBIHH-VEUIKMEKSA-N 0 0 344.539 5.174 1 30 EKEFRN C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038929151 213230837 /nfs/dbraw/zinc/23/08/37/213230837.db2.gz GQPXPLNWQRGXOX-ICPVEGAVSA-N 0 0 344.539 5.007 1 30 EKEFRN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1Cl ZINC000039316634 213234861 /nfs/dbraw/zinc/23/48/61/213234861.db2.gz UMDQXABZMROEFE-UHFFFAOYSA-N 0 0 343.553 5.219 1 30 EKEFRN CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(NCCc2ccccc2)C1 ZINC000039961095 213245914 /nfs/dbraw/zinc/24/59/14/213245914.db2.gz WBYKYUFFTLRIDD-LYBHJNIJSA-N 0 0 347.458 5.185 1 30 EKEFRN CC1=CCCC(C)(C)[C@@H]1CCC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000040380199 213294927 /nfs/dbraw/zinc/29/49/27/213294927.db2.gz GRJRKDMRISAPOX-UFUQCMIWSA-N 0 0 327.424 5.340 1 30 EKEFRN CC1=CCCC(C)(C)[C@H]1CCC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000040380200 213294227 /nfs/dbraw/zinc/29/42/27/213294227.db2.gz GRJRKDMRISAPOX-BLRBJFNZSA-N 0 0 327.424 5.340 1 30 EKEFRN CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000040408115 213299704 /nfs/dbraw/zinc/29/97/04/213299704.db2.gz ZQJXXDOHHKSHHQ-FHSDSALZSA-N 0 0 348.408 6.226 1 30 EKEFRN CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000040408119 213300206 /nfs/dbraw/zinc/30/02/06/213300206.db2.gz ZQJXXDOHHKSHHQ-YSDUONDLSA-N 0 0 348.408 6.226 1 30 EKEFRN O=C(/C=C/c1ccc(Cl)cc1)c1cccc(N2CCCCC2)c1 ZINC000040424009 132399837 /nfs/dbraw/zinc/39/98/37/132399837.db2.gz JLEHWONYICLPIX-FMIVXFBMSA-N 0 0 325.839 5.226 1 30 EKEFRN N#Cc1c2cccc(F)n2c(NC2CCCCC2)c1-c1ccccc1 ZINC000040567231 213352613 /nfs/dbraw/zinc/35/26/13/213352613.db2.gz WZUVOKQIOZVSPL-UHFFFAOYSA-N 0 0 333.410 5.362 1 30 EKEFRN N#Cc1c2cccc(Cl)n2c(NC2CCCCC2)c1-c1ccccc1 ZINC000040762289 213384811 /nfs/dbraw/zinc/38/48/11/213384811.db2.gz QWXVFCAJXXAARK-UHFFFAOYSA-N 0 0 349.865 5.876 1 30 EKEFRN C=C1C=C2[C@H]([C@H](C)[C@H](OC(C)=O)C(=O)C=C(C)C)CC[C@@H](C)[C@@H]2CC1 ZINC000040829243 213391826 /nfs/dbraw/zinc/39/18/26/213391826.db2.gz ALKQOCXLHHKOJQ-USIAYAAPSA-N 0 0 344.495 5.028 1 30 EKEFRN C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@@]12C ZINC000040833588 213390844 /nfs/dbraw/zinc/39/08/44/213390844.db2.gz FURHYCBPWRCHKE-AVUJTOBSSA-N 0 0 330.512 5.849 1 30 EKEFRN O/N=C(\Nc1cccc(Cl)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040860782 213394754 /nfs/dbraw/zinc/39/47/54/213394754.db2.gz IDSXLZFDZHTQNH-UHFFFAOYSA-N 0 0 349.139 5.260 1 30 EKEFRN CC(C)=CCCC(C)=CC(=O)CC(C)=CCc1cc(O)cc(C)c1O ZINC000040865744 202467068 /nfs/dbraw/zinc/46/70/68/202467068.db2.gz GRTPGCZAKYXPOK-JHAKXCGRSA-N 0 0 342.479 5.547 1 30 EKEFRN C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C\CC[C@@](C)(OC(C)=O)[C@H]2O1 ZINC000040865983 213394563 /nfs/dbraw/zinc/39/45/63/213394563.db2.gz DEPBIQJKIVZYES-VGDFVVJNSA-N 0 0 346.511 5.060 1 30 EKEFRN CCCn1c2ccccc2nc1-c1ccc(C#Cc2ccccc2)cc1 ZINC000040866824 213394448 /nfs/dbraw/zinc/39/44/48/213394448.db2.gz QHFOYUYGGLKRNZ-UHFFFAOYSA-N 0 0 336.438 5.513 1 30 EKEFRN C=C[C@]1(C)C=C2CC[C@]3(C)[C@](C)(CC[C@H](C(C)=O)[C@]3(C)O)[C@@]2(C)CC1 ZINC000040874016 213395782 /nfs/dbraw/zinc/39/57/82/213395782.db2.gz AUYIKUKVHDXKAX-XNZMWDKWSA-N 0 0 344.539 5.462 1 30 EKEFRN N#Cc1c(N)nc(-c2ccco2)cc1-c1ccc(-c2ccccc2)cc1 ZINC000040878429 213396036 /nfs/dbraw/zinc/39/60/36/213396036.db2.gz NXCQQNXVHLBCAS-UHFFFAOYSA-N 0 0 337.382 5.129 1 30 EKEFRN CC1=CCCC(C)(C)[C@@H]1/C=C/C(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000040893975 213396863 /nfs/dbraw/zinc/39/68/63/213396863.db2.gz LITWIWMWWLZKGD-GOJQWRDGSA-N 0 0 348.408 6.226 1 30 EKEFRN O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1ccc3ccccc3c1N2 ZINC000040894103 213398056 /nfs/dbraw/zinc/39/80/56/213398056.db2.gz ZBJCSIBVDRMBRZ-OAQYLSRUSA-N 0 0 341.410 5.110 1 30 EKEFRN CC1=C(/C=C/C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C(C)(C)CCC1 ZINC000040914517 213399085 /nfs/dbraw/zinc/39/90/85/213399085.db2.gz DDLANIUXWLHYTO-OWKCIBLPSA-N 0 0 348.408 6.371 1 30 EKEFRN CC(C)=CC(=O)C=C(C)CCC/C(C)=C/CC/C(C)=C/COC(C)=O ZINC000040916495 213399593 /nfs/dbraw/zinc/39/95/93/213399593.db2.gz XLRINIVOESDDOA-QGBQGRNXSA-N 0 0 346.511 5.874 1 30 EKEFRN Cc1ccc(C)c(/C=C2\CCC/C(=C\c3cc(C)ccc3C)C2=O)c1 ZINC000040916991 213399387 /nfs/dbraw/zinc/39/93/87/213399387.db2.gz UFSXIDUAHZCJOY-OZNQKUEASA-N 0 0 330.471 6.140 1 30 EKEFRN CC(N=Nc1csc(-c2ccc3c(c2)CCC3)n1)c1ccccc1 ZINC000040979377 213405514 /nfs/dbraw/zinc/40/55/14/213405514.db2.gz LLBOHAWDKGFYRF-HYARGMPZSA-N 0 0 333.460 5.135 1 30 EKEFRN C=C[C@@]1(C)CC[C@H]2[C@@](C)(C[C@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@]23C)O1 ZINC000040981232 560078769 /nfs/dbraw/zinc/07/87/69/560078769.db2.gz BUUWAVBPGOHICZ-JPKYEYPISA-N 0 0 348.527 5.284 1 30 biogenic,in-vitro EKEFRN CCCCCCCOc1ccc2ccc(=O)oc2c1CCC(C)C ZINC000042784627 202502526 /nfs/dbraw/zinc/50/25/26/202502526.db2.gz OSJKBKQSUIUOEL-UHFFFAOYSA-N 0 0 330.468 5.731 1 30 EKEFRN C=C(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(O)cc(CCCCC)cc2O1 ZINC000043066050 213555718 /nfs/dbraw/zinc/55/57/18/213555718.db2.gz IDJFUDPWCZNLTI-GHTZIAJQSA-N 0 0 330.468 5.006 1 30 EKEFRN CC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccccc1Cl ZINC000043121006 213562342 /nfs/dbraw/zinc/56/23/42/213562342.db2.gz GFEFGSVARJDBSJ-GOSISDBHSA-N 0 0 329.852 5.462 1 30 EKEFRN CCCCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000043242285 213569541 /nfs/dbraw/zinc/56/95/41/213569541.db2.gz HMHJWPZANYJXHX-UHFFFAOYSA-N 0 0 338.491 6.508 1 30 EKEFRN CCCCCCCCCCCCCCC[C@H]1CCC[C@H](O)[C@@H]1O ZINC000043307366 202510680 /nfs/dbraw/zinc/51/06/80/202510680.db2.gz YTZBYINAQPMMPL-PCCBWWKXSA-N 0 0 326.565 5.990 1 30 EKEFRN CCCCCCCCCCCCCCC[C@@H]1CCC[C@H](O)[C@@H]1O ZINC000043307880 213575646 /nfs/dbraw/zinc/57/56/46/213575646.db2.gz YTZBYINAQPMMPL-QHAWAJNXSA-N 0 0 326.565 5.990 1 30 EKEFRN CCCCCCCC/C=C\CCCCCCCC(=O)N(C)C(C)C ZINC000043323471 213577011 /nfs/dbraw/zinc/57/70/11/213577011.db2.gz WCJFCHXPOMPHEK-SEYXRHQNSA-N 0 0 337.592 6.891 1 30 EKEFRN CCCCCCCCCCCCCCC(=O)C(=O)NCCCCC ZINC000043356712 213578543 /nfs/dbraw/zinc/57/85/43/213578543.db2.gz FIRNMNYOMNHGCV-UHFFFAOYSA-N 0 0 339.564 5.953 1 30 EKEFRN CCCCCCCCNC(=O)Oc1cccc(OC(=O)CCCC)c1 ZINC000043490848 202512308 /nfs/dbraw/zinc/51/23/08/202512308.db2.gz VOEYIUTZHLRUGN-UHFFFAOYSA-N 0 0 349.471 5.231 1 30 EKEFRN CCCCCCCCNC(=O)Oc1cccc(OC(=O)C(C)(C)C)c1 ZINC000043490902 202512517 /nfs/dbraw/zinc/51/25/17/202512517.db2.gz QPYOIXLXNCRGLA-UHFFFAOYSA-N 0 0 349.471 5.087 1 30 EKEFRN CCCCCCCc1cc(F)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000043574647 202513513 /nfs/dbraw/zinc/51/35/13/202513513.db2.gz UCNQJJFXPQTDLC-RTBURBONSA-N 0 0 344.514 6.950 1 30 EKEFRN CCCCCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1 ZINC000043617343 213590023 /nfs/dbraw/zinc/59/00/23/213590023.db2.gz TZCRRMMDSSMNCE-UHFFFAOYSA-N 0 0 328.500 5.372 1 30 EKEFRN CCCCCCCCCC[C@H](C)Nc1ccc(C(=O)OCC)cc1 ZINC000043705920 213593922 /nfs/dbraw/zinc/59/39/22/213593922.db2.gz ZIZAFXGDZITLPT-SFHVURJKSA-N 0 0 333.516 6.195 1 30 EKEFRN C#C[C@H](CCCCCCC)O[C@@H]1CC(=O)O[C@@H]1CCCCCCC ZINC000044093626 213609126 /nfs/dbraw/zinc/60/91/26/213609126.db2.gz JKUSFGRCZJESJZ-VAMGGRTRSA-N 0 0 336.516 5.410 1 30 EKEFRN CCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1 ZINC000044201764 213612450 /nfs/dbraw/zinc/61/24/50/213612450.db2.gz FJKZMKNTZNZIGI-UHFFFAOYSA-N 0 0 346.474 6.160 1 30 EKEFRN CCCCCCCC/C=C\CCCCCCCNC(=O)CCO ZINC000044305861 213618875 /nfs/dbraw/zinc/61/88/75/213618875.db2.gz MEHNYYNESVPJPE-KTKRTIGZSA-N 0 0 325.537 5.132 1 30 EKEFRN CC(C)=CC=C1C(=O)C2=C(O[C@@](C)(CCC=C(C)C)C=C2)C(=O)C1C ZINC000044359580 213619408 /nfs/dbraw/zinc/61/94/08/213619408.db2.gz IGNYFPDUTFYBLQ-QFIPXVFZSA-N 0 0 340.463 5.157 1 30 EKEFRN C#C[C@H](O)/C=C/CCCCCCCC[C@H](C)CCCCCCCC ZINC000044360051 213619779 /nfs/dbraw/zinc/61/97/79/213619779.db2.gz OJSONOXLRPJULC-DKUUBXNPSA-N 0 0 334.588 7.044 1 30 EKEFRN CCCCCC/C=C\CCCCCCCCCc1cc(O)ccc1O ZINC000044387013 560085341 /nfs/dbraw/zinc/08/53/41/560085341.db2.gz YPWFIMVHFFOLQG-FPLPWBNLSA-N 0 0 346.555 7.288 1 30 biogenic,in-vitro EKEFRN CCCCCCCCCCCCCCC/C=C\CCCCC(N)=O ZINC000044431154 201102144 /nfs/dbraw/zinc/10/21/44/201102144.db2.gz COUPDYRANTUKKV-MSUUIHNZSA-N 0 0 337.592 7.070 1 30 EKEFRN N#Cc1cc(N2CCCCCC2)ncc1-c1cccc(Cl)c1Cl ZINC000045290039 202547394 /nfs/dbraw/zinc/54/73/94/202547394.db2.gz WMGKBTIYUNMURT-UHFFFAOYSA-N 0 0 346.261 5.307 1 30 EKEFRN N#Cc1ccc2cc(-c3ccc(Oc4ccc(F)cc4)cc3)[nH]c2c1 ZINC000045369403 213730768 /nfs/dbraw/zinc/73/07/68/213730768.db2.gz NLIUBWWYZSWUQO-UHFFFAOYSA-N 0 0 328.346 5.638 1 30 EKEFRN N#Cc1ccccc1-c1sc2ccccc2c1Oc1ccccc1 ZINC000045375304 213730948 /nfs/dbraw/zinc/73/09/48/213730948.db2.gz TZMJZZDHYCYWIK-UHFFFAOYSA-N 0 0 327.408 6.232 1 30 EKEFRN Cc1ccc(/C=C2\CCC/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000049067533 213984120 /nfs/dbraw/zinc/98/41/20/213984120.db2.gz CKJNYOWNHKTLJP-HOFJZWJUSA-N 0 0 330.471 6.140 1 30 EKEFRN CCCCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000049639082 214023746 /nfs/dbraw/zinc/02/37/46/214023746.db2.gz XIZUWMGZSHKCBN-UHFFFAOYSA-N 0 0 325.452 5.595 1 30 EKEFRN CCCCCCCCCOc1ccc(NC(=O)ON=C(C)C)cc1 ZINC000049762094 214031954 /nfs/dbraw/zinc/03/19/54/214031954.db2.gz JNUCPQPMMFLJDL-UHFFFAOYSA-N 0 0 334.460 5.760 1 30 in-vivo EKEFRN CCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1 ZINC000049762307 214031353 /nfs/dbraw/zinc/03/13/53/214031353.db2.gz IJCMIOMSKCNMQY-UHFFFAOYSA-N 0 0 341.451 6.037 1 30 in-vivo EKEFRN CCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1 ZINC000049762596 214031721 /nfs/dbraw/zinc/03/17/21/214031721.db2.gz JPIYDITTWBUFSY-UHFFFAOYSA-N 0 0 327.424 5.647 1 30 in-vivo EKEFRN CCCCCCCOc1ccc(NC(=O)Oc2ccccc2F)cc1 ZINC000049771922 214031643 /nfs/dbraw/zinc/03/16/43/214031643.db2.gz SHLSOZYYUDUBRA-UHFFFAOYSA-N 0 0 345.414 5.786 1 30 in-vivo EKEFRN C[C@H]1CC[C@@]2(C)[C@@H](CCC[C@@H]2C)[C@]1(C)CC1=CC(=O)C(Cl)=CC1=O ZINC000049780505 214032103 /nfs/dbraw/zinc/03/21/03/214032103.db2.gz YFAHQVBMZWNQOJ-CETNWRRDSA-N 0 0 348.914 5.456 1 30 EKEFRN C[C@@H]1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(Cl)=CC1=O ZINC000049780506 214031696 /nfs/dbraw/zinc/03/16/96/214031696.db2.gz YFAHQVBMZWNQOJ-KGCBQIOCSA-N 0 0 348.914 5.456 1 30 EKEFRN C=CCn1c2ccccc2c2c1ccc1c2OCN(c2ccccc2)C1 ZINC000049803378 214032894 /nfs/dbraw/zinc/03/28/94/214032894.db2.gz DDKZYFCPIJAJGK-UHFFFAOYSA-N 0 0 340.426 5.337 1 30 EKEFRN C=CCN1COc2c3c4ccccc4n(CC=C(C)C)c3ccc2C1 ZINC000049803478 214033084 /nfs/dbraw/zinc/03/30/84/214033084.db2.gz FSEIFOCLUVTUTN-UHFFFAOYSA-N 0 0 332.447 5.099 1 30 EKEFRN O=C1c2c(cccc2OCC2CCCCC2)O/C1=C\c1ccccc1 ZINC000049807790 214034122 /nfs/dbraw/zinc/03/41/22/214034122.db2.gz WMZJLTHKGDQXGT-ZHZULCJRSA-N 0 0 334.415 5.262 1 30 EKEFRN C#C[C@@H](O)/C=C/CCCCCCCC[C@H](C)CCCCCCCC ZINC000049872216 214034667 /nfs/dbraw/zinc/03/46/67/214034667.db2.gz OJSONOXLRPJULC-GVIKXBNSSA-N 0 0 334.588 7.044 1 30 EKEFRN CCCCCCCCC1=NC[C@H](c2ccc(Cl)cc2)CC(=O)O1 ZINC000049872377 214033729 /nfs/dbraw/zinc/03/37/29/214033729.db2.gz MPWZQBYKPBTCOJ-MRXNPFEDSA-N 0 0 335.875 5.520 1 30 EKEFRN CCCCCCCCNC(=O)Oc1cccc(-c2ccccc2)c1 ZINC000049872446 202629452 /nfs/dbraw/zinc/62/94/52/202629452.db2.gz ZVIQRVAPSQCQGM-UHFFFAOYSA-N 0 0 325.452 5.803 1 30 in-vivo EKEFRN CCCCCCCCCCCCC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000049881782 202629183 /nfs/dbraw/zinc/62/91/83/202629183.db2.gz MUCVVLXZWIGJKM-FYWRMAATSA-N 0 0 332.484 5.991 1 30 EKEFRN CCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000049888798 214035688 /nfs/dbraw/zinc/03/56/88/214035688.db2.gz DIAOJQJAZSZGDC-WYMLVPIESA-N 0 0 334.456 5.185 1 30 EKEFRN c1cc2c(o1)/C(=N\c1ccccc1)c1ccccc1/C2=N/c1ccccc1 ZINC000053298968 214175712 /nfs/dbraw/zinc/17/57/12/214175712.db2.gz JPTFPYMRFFGRBY-ZPCCLUSSSA-N 0 0 348.405 5.931 1 30 EKEFRN CC(=NOC(=O)Nc1ccccc1)c1cccc(-c2cccs2)c1 ZINC000058487725 214591623 /nfs/dbraw/zinc/59/16/23/214591623.db2.gz CQUWKHKELQQYRI-KGENOOAVSA-N 0 0 336.416 5.388 1 30 EKEFRN Cc1cccc2c1C/C(=C\c1cc3cccc(C)c3nc1Cl)C2=O ZINC000058541356 214594310 /nfs/dbraw/zinc/59/43/10/214594310.db2.gz GFYWBHZSRDAKBZ-XNTDXEJSSA-N 0 0 333.818 5.327 1 30 EKEFRN CCCCCCCC[NH2+][C@H]1CCC[C@@H]1CCCCCCC(=O)[O-] ZINC000059782250 202779685 /nfs/dbraw/zinc/77/96/85/202779685.db2.gz WMGPSLDKGIYXAW-OALUTQOASA-N 0 0 325.537 5.530 1 30 EKEFRN CCCCCCC/C=C/C(=O)CCCCCCCC(=O)NC(C)C ZINC000066078430 215007012 /nfs/dbraw/zinc/00/70/12/215007012.db2.gz PYOQQVQYYJTNOX-DTQAZKPQSA-N 0 0 337.548 5.728 1 30 EKEFRN CCCCCCCC/C=C/C(=O)CCCCCCC(=O)NC(C)C ZINC000066078432 215007151 /nfs/dbraw/zinc/00/71/51/215007151.db2.gz MLGVYMWVXHULBE-DTQAZKPQSA-N 0 0 337.548 5.728 1 30 EKEFRN C=C(CC[C@H]1[C@@H](C)CCCC1(C)C)[C@@H](O)Cc1c(O)cc(C)cc1O ZINC000066102944 215011183 /nfs/dbraw/zinc/01/11/83/215011183.db2.gz DNUHBEUBUMMJJB-SNRMKQJTSA-N 0 0 346.511 5.108 1 30 EKEFRN C=C(CC[C@H]1[C@@H](C)CCCC1(C)C)[C@H](O)Cc1c(O)cc(C)cc1O ZINC000066102947 215011862 /nfs/dbraw/zinc/01/18/62/215011862.db2.gz DNUHBEUBUMMJJB-ZYSHUDEJSA-N 0 0 346.511 5.108 1 30 EKEFRN CCCCCCCC(=O)/C=C/CCCCCCCC(=O)NC(C)C ZINC000066112630 215014322 /nfs/dbraw/zinc/01/43/22/215014322.db2.gz BLTUNJFHYJSLII-SAPNQHFASA-N 0 0 337.548 5.728 1 30 EKEFRN CCCCCCCCC(=O)/C=C/CCCCCCC(=O)NC(C)C ZINC000066112631 215014673 /nfs/dbraw/zinc/01/46/73/215014673.db2.gz OIHHQGBDISVZLU-SAPNQHFASA-N 0 0 337.548 5.728 1 30 EKEFRN COc1ccc2cc(C(=O)/C=C/c3ccc4[nH]ccc4c3)ccc2c1 ZINC000066112649 215013978 /nfs/dbraw/zinc/01/39/78/215013978.db2.gz QSTKYNOOEBWKTK-YCRREMRBSA-N 0 0 327.383 5.226 1 30 EKEFRN N#Cc1ccc(N[C@@H](c2ccccc2Cl)[C@@H]2CCCCC2=O)cc1 ZINC000066258960 215028428 /nfs/dbraw/zinc/02/84/28/215028428.db2.gz VQQQSTRABSWKJR-XLIONFOSSA-N 0 0 338.838 5.124 1 30 EKEFRN N#Cc1ccc(N[C@H](c2ccccc2Cl)[C@H]2CCCCC2=O)cc1 ZINC000066258963 215028378 /nfs/dbraw/zinc/02/83/78/215028378.db2.gz VQQQSTRABSWKJR-FXAWDEMLSA-N 0 0 338.838 5.124 1 30 EKEFRN CCCCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 ZINC000067902713 215247493 /nfs/dbraw/zinc/24/74/93/215247493.db2.gz GVCQCHAXJPRWFB-QGZVFWFLSA-N 0 0 334.456 5.100 1 30 EKEFRN CCCCCCCCc1ccc(CCc2ccc(O)c(OC)c2)o1 ZINC000070450929 291016552 /nfs/dbraw/zinc/01/65/52/291016552.db2.gz LUISKKSBOJYGAL-UHFFFAOYSA-N 0 0 330.468 5.682 1 30 endogenous,in-man EKEFRN CCCCCCCCCC(=O)C=C(O)CCc1ccc(O)c(OC)c1 ZINC000070450965 571779984 /nfs/dbraw/zinc/77/99/84/571779984.db2.gz QPSYZJDGMPQMSV-UHFFFAOYSA-N 0 0 348.483 5.002 1 30 endogenous,in-man EKEFRN C=C/C(C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)COC(C)=O ZINC000070451232 291013781 /nfs/dbraw/zinc/01/37/81/291013781.db2.gz RAXRINJGLHOGPS-IHBMHXLZSA-N 0 0 330.512 5.851 1 30 biogenic,in-vitro EKEFRN CCCCCCCCCC(=O)C=C(O)C=Cc1ccc(O)c(OC)c1 ZINC000070454578 571780436 /nfs/dbraw/zinc/78/04/36/571780436.db2.gz QJDGTTCAEQPSJA-QBFSEMIESA-N 0 0 346.467 5.083 1 30 endogenous,in-man EKEFRN CCCC/C=C\CCCCCCCCCC1=CC(=O)C=C(OC)C1=O ZINC000070454803 291015695 /nfs/dbraw/zinc/01/56/95/291015695.db2.gz VCQWEXLSFYRPJZ-SREVYHEPSA-N 0 0 346.511 5.852 1 30 biogenic,in-vitro EKEFRN CCCC/C=C\CCCCCCC=C1C(=O)C(=O)CC(OCC)C1=O ZINC000070454804 291015682 /nfs/dbraw/zinc/01/56/82/291015682.db2.gz XELCDMYKAGKICS-FPLPWBNLSA-N 0 0 348.483 5.348 1 30 biogenic,in-vitro EKEFRN C=CCc1ccc(OCCCCC)c(-c2ccc(O)c(CC=C)c2)c1 ZINC000070463313 538858691 /nfs/dbraw/zinc/85/86/91/538858691.db2.gz ZYXPZNUJASUZOF-UHFFFAOYSA-N 0 0 336.475 6.085 1 30 EKEFRN C=CCc1ccc(O)c(-c2ccc(OCCCCC)c(CC=C)c2)c1 ZINC000070463314 215699251 /nfs/dbraw/zinc/69/92/51/215699251.db2.gz WIQKQADUKUIMKN-UHFFFAOYSA-N 0 0 336.475 6.085 1 30 EKEFRN C=C1CCCC(C)(C)[C@@H]1CC[C@]1(C)C=Cc2cc(O)cc(OC)c2O1 ZINC000071282198 215751644 /nfs/dbraw/zinc/75/16/44/215751644.db2.gz OKZZLCIFQGFNCQ-GCJKJVERSA-N 0 0 342.479 5.728 1 30 EKEFRN CCCCCCCCCC/C=C/c1cccc(OC)c1C(=O)OCC ZINC000071294767 203091682 /nfs/dbraw/zinc/09/16/82/203091682.db2.gz HOCMCSIRMYBAHA-JQIJEIRASA-N 0 0 346.511 6.416 1 30 EKEFRN CCCCCCCCCCCCc1cccc(OC)c1C(=O)OCC ZINC000071294814 203091778 /nfs/dbraw/zinc/09/17/78/203091778.db2.gz SVHLSULAFZZZLA-UHFFFAOYSA-N 0 0 348.527 6.335 1 30 EKEFRN CCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCCC ZINC000071294933 215756393 /nfs/dbraw/zinc/75/63/93/215756393.db2.gz BDLWIBZAUYDAKP-SDNWHVSQSA-N 0 0 325.496 6.175 1 30 EKEFRN CCCCCCCC/C=C/c1cc(=O)c2ccccc2n1CCCC ZINC000071295035 215755702 /nfs/dbraw/zinc/75/57/02/215755702.db2.gz FNFQKXIFDWKQHZ-NTCAYCPXSA-N 0 0 339.523 6.565 1 30 EKEFRN C=C(C)[C@H](O)CCC(=C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C)cc1O ZINC000071297038 215755865 /nfs/dbraw/zinc/75/58/65/215755865.db2.gz LQECQNLKIZLVSL-IPMKNSEASA-N 0 0 342.479 5.120 1 30 EKEFRN CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316543 215759240 /nfs/dbraw/zinc/75/92/40/215759240.db2.gz BLHUYOHPYSJALD-FNCQTZNRSA-N 0 0 345.364 5.067 1 30 EKEFRN N#Cc1c(=O)oc2ccc(Cl)cc2c1/C=C/c1ccccc1Cl ZINC000071316994 215758993 /nfs/dbraw/zinc/75/89/93/215758993.db2.gz VXYMEBNKQXLRHP-FNORWQNLSA-N 0 0 342.181 5.142 1 30 EKEFRN C[C@@]12CCC3(C=C1CC/C(=C\c1ccccc1)C2=O)SCCS3 ZINC000071329273 215762881 /nfs/dbraw/zinc/76/28/81/215762881.db2.gz SYQGXDGKLHKYPQ-NRMGUKERSA-N 0 0 342.529 5.336 1 30 EKEFRN C[C@]12CCC3(C=C1CC/C(=C\c1ccccc1)C2=O)SCCS3 ZINC000071329274 215762067 /nfs/dbraw/zinc/76/20/67/215762067.db2.gz SYQGXDGKLHKYPQ-XAVZPLJISA-N 0 0 342.529 5.336 1 30 EKEFRN CCCCN(CCC#N)Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072100941 216008683 /nfs/dbraw/zinc/00/86/83/216008683.db2.gz YHSWLWIKWDPRAC-UHFFFAOYSA-N 0 0 339.483 5.155 1 30 EKEFRN C[C@H]1[C@@H]2C[C@H](C[C@@H]1N/C(=N\O)c1ccccc1-c1ccccc1)C2(C)C ZINC000072103131 216007924 /nfs/dbraw/zinc/00/79/24/216007924.db2.gz VILWOHFHNZDXGN-JHOJWFKBSA-N 0 0 348.490 5.150 1 30 EKEFRN N#C[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl ZINC000072103193 203162571 /nfs/dbraw/zinc/16/25/71/203162571.db2.gz AZBJHAZVBBFANY-IBGZPJMESA-N 0 0 339.225 5.246 1 30 EKEFRN N#C[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl ZINC000072103194 216008219 /nfs/dbraw/zinc/00/82/19/216008219.db2.gz AZBJHAZVBBFANY-LJQANCHMSA-N 0 0 339.225 5.246 1 30 EKEFRN C[C@@H]1[C@H]2C[C@@H](C[C@H]1N/C(=N\O)c1ccccc1-c1ccccc1)C2(C)C ZINC000072103207 203162336 /nfs/dbraw/zinc/16/23/36/203162336.db2.gz VILWOHFHNZDXGN-ZHFAOOELSA-N 0 0 348.490 5.150 1 30 EKEFRN Cc1ccc(Oc2nc(C)ccc2/C(=N/O)Nc2ccccc2)c(C)c1 ZINC000072103830 216008587 /nfs/dbraw/zinc/00/85/87/216008587.db2.gz RTFXQABTOSKYHY-UHFFFAOYSA-N 0 0 347.418 5.047 1 30 EKEFRN N#Cc1ccc2c(c1)Oc1ccccc1N2C(=O)c1ccc(Cl)cc1 ZINC000072107586 203162614 /nfs/dbraw/zinc/16/26/14/203162614.db2.gz IMXZQQJCLFQBFJ-UHFFFAOYSA-N 0 0 346.773 5.296 1 30 EKEFRN CCCCCCCCn1c2ccc(Cl)cc2c2ccc(CC)cc21 ZINC000072110370 216010398 /nfs/dbraw/zinc/01/03/98/216010398.db2.gz BZFUHGHGMPRYNR-UHFFFAOYSA-N 0 0 341.926 7.371 1 30 EKEFRN CCCCCCCCn1c2ccccc2c2ccc(OCC#N)cc21 ZINC000072111362 216010287 /nfs/dbraw/zinc/01/02/87/216010287.db2.gz JCSMLAPLLKTZII-UHFFFAOYSA-N 0 0 334.463 6.057 1 30 EKEFRN CCCCCCCCNc1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000072112138 216010051 /nfs/dbraw/zinc/01/00/51/216010051.db2.gz GEADLZYFJTZKHV-UHFFFAOYSA-N 0 0 340.298 6.156 1 30 EKEFRN CCCCCCCCOc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000072114412 203163617 /nfs/dbraw/zinc/16/36/17/203163617.db2.gz XXMXETVSVUAMAT-CMDGGOBGSA-N 0 0 340.463 6.008 1 30 EKEFRN CCCCCCCn1c2ccc(O)cc2c(C)c1-c1ccc(O)cc1 ZINC000072116359 216012440 /nfs/dbraw/zinc/01/24/40/216012440.db2.gz YFPRTHXAZBDUMD-UHFFFAOYSA-N 0 0 337.463 5.998 1 30 EKEFRN CCCCCCCCCCCCn1cc(CCc2ccccc2)nn1 ZINC000072123406 216015171 /nfs/dbraw/zinc/01/51/71/216015171.db2.gz VVAFBIUUEHSONG-UHFFFAOYSA-N 0 0 341.543 5.984 1 30 EKEFRN Cn1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c2ccccc21 ZINC000072125101 216016653 /nfs/dbraw/zinc/01/66/53/216016653.db2.gz XGGKJPWBVVFKPJ-MDZDMXLPSA-N 0 0 330.214 5.381 1 30 EKEFRN Fc1ccc(NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000072136448 216024925 /nfs/dbraw/zinc/02/49/25/216024925.db2.gz GDVXBXRWLCQFNJ-ZVHZXABRSA-N 0 0 343.405 5.275 1 30 EKEFRN CCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC ZINC000072170813 216062250 /nfs/dbraw/zinc/06/22/50/216062250.db2.gz ZJDUTTSAEDVQTG-UHFFFAOYSA-N 0 0 342.520 5.430 1 30 EKEFRN CCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC ZINC000072172088 203180838 /nfs/dbraw/zinc/18/08/38/203180838.db2.gz HEABOYSRXNIDQI-UHFFFAOYSA-N 0 0 340.504 5.350 1 30 EKEFRN Fc1ccccc1/C=N/c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000072178560 216065882 /nfs/dbraw/zinc/06/58/82/216065882.db2.gz AZKIYCLEBRHEAS-HYARGMPZSA-N 0 0 349.434 5.385 1 30 EKEFRN Cc1ccc(/C=N/c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000072179877 216065965 /nfs/dbraw/zinc/06/59/65/216065965.db2.gz MXFKBNCTXWQQGT-PXLXIMEGSA-N 0 0 345.471 5.555 1 30 EKEFRN CCCCCCCc1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000072180931 216066222 /nfs/dbraw/zinc/06/62/22/216066222.db2.gz KLDLFURGRBGNLM-UHFFFAOYSA-N 0 0 333.479 5.429 1 30 EKEFRN Fc1ccc(/C=N/c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000072181597 216067424 /nfs/dbraw/zinc/06/74/24/216067424.db2.gz VXZGSZTYUGVZKR-HYARGMPZSA-N 0 0 349.434 5.385 1 30 EKEFRN CCCCN(CCC#N)Cc1coc(-c2cccc3ccccc32)n1 ZINC000072182872 216067215 /nfs/dbraw/zinc/06/72/15/216067215.db2.gz OLBCKEXBTWINGT-UHFFFAOYSA-N 0 0 333.435 5.011 1 30 EKEFRN CCCCCCCCCC/C=C\c1cccc(OC)c1C(=O)OCC ZINC000073073109 216346294 /nfs/dbraw/zinc/34/62/94/216346294.db2.gz HOCMCSIRMYBAHA-PEZBUJJGSA-N 0 0 346.511 6.416 1 30 EKEFRN O=C1c2ccccc2C(=O)C(SCc2ccc(Cl)cc2)=C1Cl ZINC000073140473 216354463 /nfs/dbraw/zinc/35/44/63/216354463.db2.gz KHVUQOZLYSKFPV-UHFFFAOYSA-N 0 0 349.238 5.103 1 30 EKEFRN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=C[C@H](OC)OC1=O ZINC000073163494 216359437 /nfs/dbraw/zinc/35/94/37/216359437.db2.gz OPJKPDMXOSUANW-LXGFNABISA-N 0 0 332.484 5.021 1 30 EKEFRN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=C[C@@H](OC)OC1=O ZINC000073163498 216359893 /nfs/dbraw/zinc/35/98/93/216359893.db2.gz OPJKPDMXOSUANW-RYLXDESZSA-N 0 0 332.484 5.021 1 30 EKEFRN N#Cc1ccn2c(cc(-c3ccc(F)cc3)c2-c2ccc(F)cc2)c1 ZINC000073168581 216359402 /nfs/dbraw/zinc/35/94/02/216359402.db2.gz VMIFDZZZSSOSSZ-UHFFFAOYSA-N 0 0 330.337 5.423 1 30 EKEFRN O=C(/C=C/c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000073196365 216362323 /nfs/dbraw/zinc/36/23/23/216362323.db2.gz WAAUTFDEIFFJHH-DTQAZKPQSA-N 0 0 342.398 5.227 1 30 EKEFRN O=C(/C=C/c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 ZINC000073197057 216362690 /nfs/dbraw/zinc/36/26/90/216362690.db2.gz AFYSIKHFAMXHGG-UXBLZVDNSA-N 0 0 327.210 6.043 1 30 EKEFRN COc1ccc(/C=C/C(=O)c2cccc(-c3cccc(F)c3)c2)cc1 ZINC000073197518 216362406 /nfs/dbraw/zinc/36/24/06/216362406.db2.gz MHLYAWYXDHWOHK-JLHYYAGUSA-N 0 0 332.374 5.397 1 30 EKEFRN CC(C)c1c(OC[C@@H]2CO2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198200 203259662 /nfs/dbraw/zinc/25/96/62/203259662.db2.gz ONLKMGLZHKBVSD-ITSWEJNFSA-N 0 0 342.523 5.618 1 30 EKEFRN CC(C)c1c(OC[C@H]2CO2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198201 216362568 /nfs/dbraw/zinc/36/25/68/216362568.db2.gz ONLKMGLZHKBVSD-NIJIEXERSA-N 0 0 342.523 5.618 1 30 EKEFRN COc1ccc(/C=C/C(=O)c2cccc(-c3ccc(F)cc3)c2)cc1 ZINC000073198370 216362523 /nfs/dbraw/zinc/36/25/23/216362523.db2.gz SCGPFZUSRNGSIC-VGOFMYFVSA-N 0 0 332.374 5.397 1 30 EKEFRN O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 ZINC000073198564 216362262 /nfs/dbraw/zinc/36/22/62/216362262.db2.gz HEMGLPVGDNTIFI-VMPITWQZSA-N 0 0 327.210 6.043 1 30 EKEFRN Cc1cc(C(=O)/C=C/c2cc3cccc(C)c3nc2Cl)c(C)s1 ZINC000073219164 216365996 /nfs/dbraw/zinc/36/59/96/216365996.db2.gz IRMAGGLAVJYSDJ-BQYQJAHWSA-N 0 0 341.863 5.771 1 30 EKEFRN Cc1ccsc1C(=O)/C=C/c1cc2cc(C)ccc2nc1Cl ZINC000073220066 203260811 /nfs/dbraw/zinc/26/08/11/203260811.db2.gz LEXBSZGYTLWEGV-GQCTYLIASA-N 0 0 327.836 5.463 1 30 EKEFRN Cc1ccc(C(=O)/C=C/c2cc3ccc(C)cc3nc2Cl)s1 ZINC000073221346 216367372 /nfs/dbraw/zinc/36/73/72/216367372.db2.gz QNVABWJYISHLOW-VOTSOKGWSA-N 0 0 327.836 5.463 1 30 EKEFRN Cc1cc(C(=O)/C=C/c2cc3ccc(C)cc3nc2Cl)c(C)s1 ZINC000073221347 216367193 /nfs/dbraw/zinc/36/71/93/216367193.db2.gz XPBWZLKWQPPSGC-VOTSOKGWSA-N 0 0 341.863 5.771 1 30 EKEFRN Cc1ccc2cc(/C=C/C(=O)c3sccc3Cl)c(Cl)nc2c1 ZINC000073221349 216366974 /nfs/dbraw/zinc/36/69/74/216366974.db2.gz YZRYVRZXEKFHQB-SNAWJCMRSA-N 0 0 348.254 5.808 1 30 EKEFRN Cc1ccc2cc(/C=C/C(=O)c3ccc(Cl)s3)c(Cl)nc2c1 ZINC000073221351 216367116 /nfs/dbraw/zinc/36/71/16/216367116.db2.gz LXYBXUZCSMUEJN-SNAWJCMRSA-N 0 0 348.254 5.808 1 30 EKEFRN Cc1cc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)c(C)s1 ZINC000073221623 203260797 /nfs/dbraw/zinc/26/07/97/203260797.db2.gz NKMADAOWTBBFCG-FNORWQNLSA-N 0 0 341.863 5.771 1 30 EKEFRN Cc1ccc2nc(Cl)c(/C=C/C(=O)c3sccc3Cl)cc2c1 ZINC000073222488 216367006 /nfs/dbraw/zinc/36/70/06/216367006.db2.gz IKVFAWZCTOSBDA-HWKANZROSA-N 0 0 348.254 5.808 1 30 EKEFRN Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(Cl)s3)cc2c1 ZINC000073223170 216367162 /nfs/dbraw/zinc/36/71/62/216367162.db2.gz QXRRIINDLDJRFK-HWKANZROSA-N 0 0 348.254 5.808 1 30 EKEFRN C(=NNc1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 ZINC000073223304 216366865 /nfs/dbraw/zinc/36/68/65/216366865.db2.gz KCQNWTXKDFQAFA-STZFKDTASA-N 0 0 345.427 5.535 1 30 EKEFRN Cc1csc(C(=O)/C=C/c2cc3ccc(C)cc3nc2Cl)c1 ZINC000073223411 203261121 /nfs/dbraw/zinc/26/11/21/203261121.db2.gz PIUHKZPPZDLPLB-AATRIKPKSA-N 0 0 327.836 5.463 1 30 EKEFRN CCCCCCCCCCCC[C@H]1C(=O)O[C@@H]1CCc1ccccc1 ZINC000073224318 216366847 /nfs/dbraw/zinc/36/68/47/216366847.db2.gz GIEYRKHLDHEUBW-FGZHOGPDSA-N 0 0 344.539 6.472 1 30 EKEFRN Cc1ccsc1C(=O)/C=C/c1cc2cccc(C)c2nc1Cl ZINC000073224874 216366334 /nfs/dbraw/zinc/36/63/34/216366334.db2.gz HUUORZHSJCSCTM-VOTSOKGWSA-N 0 0 327.836 5.463 1 30 EKEFRN Cc1csc(C(=O)/C=C/c2cc3cccc(C)c3nc2Cl)c1 ZINC000073224875 203261234 /nfs/dbraw/zinc/26/12/34/203261234.db2.gz PPUWEZCHQGTPHE-VOTSOKGWSA-N 0 0 327.836 5.463 1 30 EKEFRN Cc1ccc(C(=O)/C=C/c2cc3cccc(C)c3nc2Cl)s1 ZINC000073224876 216367079 /nfs/dbraw/zinc/36/70/79/216367079.db2.gz IMDQDLJNLOBBQK-BQYQJAHWSA-N 0 0 327.836 5.463 1 30 EKEFRN Cc1cccc2cc(/C=C/C(=O)c3sccc3Cl)c(Cl)nc12 ZINC000073224877 203260443 /nfs/dbraw/zinc/26/04/43/203260443.db2.gz JBZJQYDDVZXTFK-AATRIKPKSA-N 0 0 348.254 5.808 1 30 EKEFRN Cc1cccc2cc(/C=C/C(=O)c3ccc(Cl)s3)c(Cl)nc12 ZINC000073224878 216366307 /nfs/dbraw/zinc/36/63/07/216366307.db2.gz KGTNDNJCTVNHRC-AATRIKPKSA-N 0 0 348.254 5.808 1 30 EKEFRN Cc1ccsc1C(=O)/C=C/c1cc2ccc(C)cc2nc1Cl ZINC000073225041 216367389 /nfs/dbraw/zinc/36/73/89/216367389.db2.gz LNCDVFISZWHUGM-AATRIKPKSA-N 0 0 327.836 5.463 1 30 EKEFRN N#Cc1cc2ccccc2nc1-c1c[nH]c2ccc(Br)cc12 ZINC000073295595 216373781 /nfs/dbraw/zinc/37/37/81/216373781.db2.gz DANDXQLIVHXSOV-UHFFFAOYSA-N 0 0 348.203 5.017 1 30 EKEFRN Cc1ccc(/N=C/c2cn(C(=O)c3ccccc3)c3ccccc23)cc1 ZINC000073297426 216374312 /nfs/dbraw/zinc/37/43/12/216374312.db2.gz RHVGWXKMQNCFMA-BUVRLJJBSA-N 0 0 338.410 5.389 1 30 EKEFRN C=C[C@H](C)CC[C@H](C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C ZINC000073312520 216376243 /nfs/dbraw/zinc/37/62/43/216376243.db2.gz BSXYLMVBPPIDSG-VURWIQAASA-N 0 0 346.643 8.750 1 30 EKEFRN C=C[C@H](C)CC[C@@H](C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C ZINC000073312525 216376211 /nfs/dbraw/zinc/37/62/11/216376211.db2.gz BSXYLMVBPPIDSG-QRFXKAHZSA-N 0 0 346.643 8.750 1 30 EKEFRN C=C[C@@H](C)CC[C@H](C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C ZINC000073312526 216377295 /nfs/dbraw/zinc/37/72/95/216377295.db2.gz BSXYLMVBPPIDSG-NLEVQUQGSA-N 0 0 346.643 8.750 1 30 EKEFRN C=C[C@@H](C)CC[C@@H](C/C=C(\C)CCCC(C)C)C(=C)CCCC(C)C ZINC000073312528 216376416 /nfs/dbraw/zinc/37/64/16/216376416.db2.gz BSXYLMVBPPIDSG-UHTIKGGYSA-N 0 0 346.643 8.750 1 30 EKEFRN Fc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000073314969 216376915 /nfs/dbraw/zinc/37/69/15/216376915.db2.gz XGUIKMHWDMASHL-ZVHZXABRSA-N 0 0 328.390 5.579 1 30 EKEFRN O=C(c1ccccc1)n1cc(/C=N/c2ccc(F)cc2)c2ccccc21 ZINC000073315067 216377024 /nfs/dbraw/zinc/37/70/24/216377024.db2.gz CCRRXQOCINWOLN-ZVHZXABRSA-N 0 0 342.373 5.220 1 30 EKEFRN C=C[C@H](C)CC[C@@H](C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C ZINC000073315365 216376341 /nfs/dbraw/zinc/37/63/41/216376341.db2.gz QNCOYEQQDOUCMW-QRFXKAHZSA-N 0 0 344.627 8.670 1 30 EKEFRN C=C[C@H](C)CC[C@H](C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C ZINC000073315368 216377151 /nfs/dbraw/zinc/37/71/51/216377151.db2.gz QNCOYEQQDOUCMW-VURWIQAASA-N 0 0 344.627 8.670 1 30 EKEFRN C=C[C@@H](C)CC[C@@H](C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C ZINC000073315371 216376782 /nfs/dbraw/zinc/37/67/82/216376782.db2.gz QNCOYEQQDOUCMW-UHTIKGGYSA-N 0 0 344.627 8.670 1 30 EKEFRN C=C[C@@H](C)CC[C@H](C/C=C(\C)CCC=C(C)C)C(=C)CCCC(C)C ZINC000073315373 216376444 /nfs/dbraw/zinc/37/64/44/216376444.db2.gz QNCOYEQQDOUCMW-NLEVQUQGSA-N 0 0 344.627 8.670 1 30 EKEFRN C=C[C@@](C)(/C=C/c1ccc(OC(=O)CCCC)cc1)CCC=C(C)C ZINC000082150842 217478474 /nfs/dbraw/zinc/47/84/74/217478474.db2.gz BIPDYVBHHMSGRN-YJCCFKNTSA-N 0 0 340.507 6.734 1 30 EKEFRN O=C(/C=C/c1ccc(Cl)cc1)c1cccc(-c2cccc(F)c2)c1 ZINC000082151493 217478956 /nfs/dbraw/zinc/47/89/56/217478956.db2.gz SJACMMVHHVYYGJ-FMIVXFBMSA-N 0 0 336.793 6.042 1 30 EKEFRN Cc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)s1 ZINC000082157939 203499317 /nfs/dbraw/zinc/49/93/17/203499317.db2.gz NRTIJSOWBDGHEP-FNORWQNLSA-N 0 0 327.836 5.463 1 30 EKEFRN Cc1sc(N=NCc2cccc3ccccc32)nc1-c1ccccc1 ZINC000082372039 203501069 /nfs/dbraw/zinc/50/10/69/203501069.db2.gz SCBXSXLEQFAUCU-HYARGMPZSA-N 0 0 343.455 5.140 1 30 EKEFRN CCCCCCCCCCc1cn(Cc2cccc(OC)c2)nn1 ZINC000084636038 203534050 /nfs/dbraw/zinc/53/40/50/203534050.db2.gz ZTYDXPDWKQNANK-UHFFFAOYSA-N 0 0 329.488 5.018 1 30 EKEFRN CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CC ZINC000084643287 203533797 /nfs/dbraw/zinc/53/37/97/203533797.db2.gz WIPYLLALIMJBSS-IBGZPJMESA-N 0 0 328.537 5.782 1 30 EKEFRN CCCCCC/C=C\C[C@H](CC)CC[C@H](CC[NH3+])CCC(=O)[O-] ZINC000085506039 291016277 /nfs/dbraw/zinc/01/62/77/291016277.db2.gz INUZOOQUKUJHRE-XFIQWEIDSA-N 0 0 325.537 5.539 1 30 biogenic,in-vitro EKEFRN CCCCCC/C=C\CCC[C@H]1C[C@H](CC(=O)[O-])CCC[C@H]1[NH2+]C ZINC000085506078 291016276 /nfs/dbraw/zinc/01/62/76/291016276.db2.gz JCGCSOXUWBNKAV-LSWULPBNSA-N 0 0 337.548 5.552 1 30 biogenic,in-vitro EKEFRN CCCCCC/C=C\C[C@H](CC)C[C@H](CCCC(=O)[O-])C[NH2+]C ZINC000085506148 291016279 /nfs/dbraw/zinc/01/62/79/291016279.db2.gz LESNKBCCHGTWQJ-PUMRNXGDSA-N 0 0 325.537 5.410 1 30 biogenic,in-vitro EKEFRN CCCCCCCCCCCCc1cc(=O)c2ccccc2n1C ZINC000085530216 291016540 /nfs/dbraw/zinc/01/65/40/291016540.db2.gz URTNWZJTIJSNON-UHFFFAOYSA-N 0 0 327.512 6.002 1 30 biogenic,in-vitro EKEFRN CCCCCCC/C(=C/c1cccc(O)c1O)C(=O)CCCCCC ZINC000085532045 291016283 /nfs/dbraw/zinc/01/62/83/291016283.db2.gz MCDZDCGNQNOKEX-ZCXUNETKSA-N 0 0 346.511 6.381 1 30 biogenic,in-vitro EKEFRN C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@]2(C)C1CCCCC1 ZINC000085545070 291014480 /nfs/dbraw/zinc/01/44/80/291014480.db2.gz ZAZJUIBNQQIOAD-ACTOBBOZSA-N 0 0 326.568 7.002 1 30 biogenic,in-vitro EKEFRN C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2(C)C1CCCCC1 ZINC000085545072 291014478 /nfs/dbraw/zinc/01/44/78/291014478.db2.gz VUHBRIWAMAHMLV-YKQCMODCSA-N 0 0 340.595 7.392 1 30 biogenic,in-vitro EKEFRN C=C1C=C2[C@]3(CC[C@@H](CCCO)C3)CC[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545251 291013752 /nfs/dbraw/zinc/01/37/52/291013752.db2.gz OCSOYPWILLISCJ-QJIZMENSSA-N 0 0 328.540 5.750 1 30 biogenic,in-vitro EKEFRN C=C1C=C2[C@@H](CCO)CC[C@H](C3CCCCC3)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545279 291013773 /nfs/dbraw/zinc/01/37/73/291013773.db2.gz ZTGZAUYULVKXIM-XLQGDHTPSA-N 0 0 328.540 5.750 1 30 biogenic,in-vitro EKEFRN C=C1C=C2C3(CCCC3)CC[C@H](C3CCCCC3)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545301 291013775 /nfs/dbraw/zinc/01/37/75/291013775.db2.gz MPMOQXSROVXILS-CNIHBODFSA-N 0 0 338.579 7.312 1 30 biogenic,in-vitro EKEFRN C=C1C[C@]2(CCC3(CCCC3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000085547269 291014472 /nfs/dbraw/zinc/01/44/72/291014472.db2.gz IYPUSGVNTZCDLR-RMLJZCAQSA-N 0 0 328.540 6.277 1 30 biogenic,in-vitro EKEFRN C=C1C[C@@]2(CC[C@@H](CCCO)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000085547273 291014481 /nfs/dbraw/zinc/01/44/81/291014481.db2.gz WWFQNQDKJOQFIV-OYSQMQRMSA-N 0 0 332.528 5.105 1 30 biogenic,in-vitro EKEFRN C=C1CC2(CCCC2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C1CCCCC1 ZINC000085547358 291013792 /nfs/dbraw/zinc/01/37/92/291013792.db2.gz GMLQAYCBMQAMHB-FWKCKQQBSA-N 0 0 342.567 6.667 1 30 biogenic,in-vitro EKEFRN CC1=C2C[C@H]3CC4(CCCC4)[C@@H](CCCCO)[C@]2(CC1=O)C3(C)C ZINC000085549705 291015580 /nfs/dbraw/zinc/01/55/80/291015580.db2.gz FWDGXGIMPOGPPU-DKZVUGQWSA-N 0 0 330.512 5.051 1 30 biogenic,in-vitro EKEFRN CC1=C2C[C@H]3CC[C@@H](CCCCO)[C@]2(CC1=O)[C@@]3(C)C1CCCCC1 ZINC000085549723 291015568 /nfs/dbraw/zinc/01/55/68/291015568.db2.gz QBMMKPLZBSTAKT-VKGYTVAMSA-N 0 0 344.539 5.441 1 30 biogenic,in-vitro EKEFRN C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CC[C@@H](C2(O)CCCC2)C3)C1 ZINC000085550157 291013764 /nfs/dbraw/zinc/01/37/64/291013764.db2.gz NACRXNHTVLVOAR-PRTQVNTJSA-N 0 0 340.551 6.347 1 30 biogenic,in-vitro EKEFRN CCCCC/C=C/C(=O)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085630107 291015699 /nfs/dbraw/zinc/01/56/99/291015699.db2.gz KIMYPTHTGRWMGH-RMKNXTFCSA-N 0 0 330.468 5.352 1 30 biogenic,in-vitro EKEFRN CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 ZINC000085630150 291016935 /nfs/dbraw/zinc/01/69/35/291016935.db2.gz WWHVHLADFABBDW-PEKVBPLLSA-N 0 0 346.511 5.845 1 30 biogenic,in-vitro EKEFRN CCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)CCC(C)C ZINC000085630155 291016916 /nfs/dbraw/zinc/01/69/16/291016916.db2.gz BTRGLLIVOOMALO-HGZMWJMZSA-N 0 0 346.511 5.701 1 30 biogenic,in-vitro EKEFRN CCCCCCCC[C@]1(O)CCC[C@H](c2ccc(O)c(OC)c2)O1 ZINC000085648379 291016520 /nfs/dbraw/zinc/01/65/20/291016520.db2.gz GTXCKJYFECIBLZ-UYAOXDASSA-N 0 0 336.472 5.082 1 30 biogenic,in-vitro EKEFRN CCCCCCCCCCCCCCCCC(=O)C[C@H](O)CCC ZINC000085649507 571787131 /nfs/dbraw/zinc/78/71/31/571787131.db2.gz GBEUDUOROXAYDL-OAQYLSRUSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCC ZINC000085649511 571786899 /nfs/dbraw/zinc/78/68/99/571786899.db2.gz GBEUDUOROXAYDL-NRFANRHFSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCCC(=O)C[C@H](O)CCCC ZINC000085649517 571787104 /nfs/dbraw/zinc/78/71/04/571787104.db2.gz SUFHEDZZYKPXPX-OAQYLSRUSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCCC ZINC000085649520 571787010 /nfs/dbraw/zinc/78/70/10/571787010.db2.gz SUFHEDZZYKPXPX-NRFANRHFSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCC(=O)C[C@H](O)CCCCC ZINC000085649526 571787074 /nfs/dbraw/zinc/78/70/74/571787074.db2.gz BTQBYWOOCWQDQS-OAQYLSRUSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCC(=O)C[C@@H](O)CCCCC ZINC000085649528 571787092 /nfs/dbraw/zinc/78/70/92/571787092.db2.gz BTQBYWOOCWQDQS-NRFANRHFSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCC[C@H](O)CC(=O)CCCCC ZINC000085649531 571787081 /nfs/dbraw/zinc/78/70/81/571787081.db2.gz CZYQLDGGYGBNJN-QFIPXVFZSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCC[C@@H](O)CC(=O)CCCCC ZINC000085649535 571787021 /nfs/dbraw/zinc/78/70/21/571787021.db2.gz CZYQLDGGYGBNJN-JOCHJYFZSA-N 0 0 340.592 6.978 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCC(=O)C[C@H](O)c1ccccc1 ZINC000085773065 571788605 /nfs/dbraw/zinc/78/86/05/571788605.db2.gz STSKOMNZBUWTNP-QFIPXVFZSA-N 0 0 332.528 6.380 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCC(=O)C[C@@H](O)c1ccccc1 ZINC000085773066 571788555 /nfs/dbraw/zinc/78/85/55/571788555.db2.gz STSKOMNZBUWTNP-JOCHJYFZSA-N 0 0 332.528 6.380 1 30 endogenous,in-man EKEFRN CC(C)=CCC/C(C)=C/CCC(C)=CCC1=CC(=O)C(C)=C(C)C1=O ZINC000085775996 571788504 /nfs/dbraw/zinc/78/85/04/571788504.db2.gz AUMXJZBVBBGETK-JAFZKPNWSA-N 0 0 340.507 6.210 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCCC(=O)C[C@H](O)CCC ZINC000085831028 203548445 /nfs/dbraw/zinc/54/84/45/203548445.db2.gz TZOSAMFFAMREPQ-HXUWFJFHSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCCC(=O)C[C@@H](O)CCC ZINC000085831031 571788998 /nfs/dbraw/zinc/78/89/98/571788998.db2.gz TZOSAMFFAMREPQ-FQEVSTJZSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCC[C@H](O)CC(=O)CCC ZINC000085831033 571788983 /nfs/dbraw/zinc/78/89/83/571788983.db2.gz GHEJHXYNCGIREQ-NRFANRHFSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCCC[C@@H](O)CC(=O)CCC ZINC000085831035 571788937 /nfs/dbraw/zinc/78/89/37/571788937.db2.gz GHEJHXYNCGIREQ-OAQYLSRUSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCC(=O)C[C@H](O)CCCCC ZINC000085831041 571788942 /nfs/dbraw/zinc/78/89/42/571788942.db2.gz HZCLQZNWJWBYLN-HXUWFJFHSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCC(=O)C[C@@H](O)CCCCC ZINC000085831043 571789010 /nfs/dbraw/zinc/78/90/10/571789010.db2.gz HZCLQZNWJWBYLN-FQEVSTJZSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCC[C@H](O)CC(=O)CCCCC ZINC000085831045 571788996 /nfs/dbraw/zinc/78/89/96/571788996.db2.gz DGNKBERWNULYNK-NRFANRHFSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCC[C@@H](O)CC(=O)CCCCC ZINC000085831047 571788979 /nfs/dbraw/zinc/78/89/79/571788979.db2.gz DGNKBERWNULYNK-OAQYLSRUSA-N 0 0 326.565 6.588 1 30 endogenous,in-man EKEFRN CCCCCCCCC/C=C/C(=O)CCc1ccc(OC)c(OC)c1 ZINC000085884462 571791120 /nfs/dbraw/zinc/79/11/20/571791120.db2.gz KKRNHCNPKJGKDR-OUKQBFOZSA-N 0 0 346.511 5.902 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCOC(=O)CCc1ccc(O)cc1 ZINC000085910556 571791565 /nfs/dbraw/zinc/79/15/65/571791565.db2.gz LMHWNJAOHBYRNG-UHFFFAOYSA-N 0 0 348.527 6.179 1 30 endogenous,in-man EKEFRN CCCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 ZINC000086002317 291016507 /nfs/dbraw/zinc/01/65/07/291016507.db2.gz FNWGQRPIGZVQLF-UHFFFAOYSA-N 0 0 327.512 6.382 1 30 biogenic,in-vitro EKEFRN CCCCCCCC/C=C/C=C/C=C/[C@H]1O[C@@H]1CCCC(=O)OC ZINC000089456630 257701201 /nfs/dbraw/zinc/70/12/01/257701201.db2.gz YOAQIJHBMIIBJM-OPKQDCOMSA-N 0 0 334.500 5.516 1 30 EKEFRN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1Cc1cocc1OC(C)=O ZINC000095485983 291014476 /nfs/dbraw/zinc/01/44/76/291014476.db2.gz WYONUESMMWYJOD-CUWPLCDZSA-N 0 0 330.468 5.546 1 30 biogenic,in-vitro EKEFRN O=C1c2cc(F)ccc2OC/C1=C\c1ccc2oc3ccccc3c2c1 ZINC000095558436 203763002 /nfs/dbraw/zinc/76/30/02/203763002.db2.gz BKXKQFYNXUMRPV-NTEUORMPSA-N 0 0 344.341 5.384 1 30 EKEFRN Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3oc4ccccc4c3c1)CO2 ZINC000095562147 218437168 /nfs/dbraw/zinc/43/71/68/218437168.db2.gz XLNDTWCDSQWYND-LFIBNONCSA-N 0 0 340.378 5.553 1 30 EKEFRN Cc1cc(C)c(Oc2cccc(Nc3ccc(C#N)cc3)c2)c(C)c1 ZINC000095575986 203763903 /nfs/dbraw/zinc/76/39/03/203763903.db2.gz QXCJABYMJOYMRO-UHFFFAOYSA-N 0 0 328.415 6.019 1 30 EKEFRN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cnc3ccccc3c2)c1 ZINC000095576942 218439681 /nfs/dbraw/zinc/43/96/81/218439681.db2.gz BQFJQQLFAQDPPT-UHFFFAOYSA-N 0 0 345.446 5.325 1 30 EKEFRN C=C(CC)c1ccc2c(c1)CN(CCC(C)C)C(=O)[C@H](CC(C)C)N2 ZINC000095581913 218440801 /nfs/dbraw/zinc/44/08/01/218440801.db2.gz CHIKCKQSVQEQOY-NRFANRHFSA-N 0 0 342.527 5.325 1 30 EKEFRN Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1ccc(Br)cc1 ZINC000095594156 218443779 /nfs/dbraw/zinc/44/37/79/218443779.db2.gz QSJSOQKAGBQZKU-RGVLZGJSSA-N 0 0 346.268 5.511 1 30 EKEFRN CSC(=CC(=O)c1ccc(C)cc1)N=c1[nH]c2ccccc2s1 ZINC000095595309 218444168 /nfs/dbraw/zinc/44/41/68/218444168.db2.gz DJQLWVNVXRQDMO-GZTJUZNOSA-N 0 0 340.473 5.104 1 30 EKEFRN CCCCCCCNc1ccc([N+](=O)[O-])c(NCCCCCCC)c1 ZINC000095601588 203765651 /nfs/dbraw/zinc/76/56/51/203765651.db2.gz IYUZMUNBUTXNCI-UHFFFAOYSA-N 0 0 349.519 6.359 1 30 EKEFRN C=CCn1cnc2c1ncnc2SCCCCCCCCCC ZINC000095602835 218445218 /nfs/dbraw/zinc/44/52/18/218445218.db2.gz OJOPSHYJWVYLDK-UHFFFAOYSA-N 0 0 332.517 5.245 1 30 EKEFRN CCCCCCCCCCCCC/C=C\C=C\C(=O)NCC(C)C ZINC000095618139 571797506 /nfs/dbraw/zinc/79/75/06/571797506.db2.gz QQCGKIZHTJLRNN-JUJVUSMPSA-N 0 0 335.576 6.572 1 30 endogenous,in-man EKEFRN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](OC)OC1=O ZINC000095910188 291013786 /nfs/dbraw/zinc/01/37/86/291013786.db2.gz AXVHMYNDGVQIQD-ZYRDFHLVSA-N 0 0 332.484 5.021 1 30 biogenic,in-vitro EKEFRN CCCCC/C=C\C[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000095914520 291015713 /nfs/dbraw/zinc/01/57/13/291015713.db2.gz YKXMCSLTPPEYGG-HKOPZRHXSA-N 0 0 332.484 5.174 1 30 biogenic,in-vitro EKEFRN CCCCC/C=C\C[C@@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)OC ZINC000095914522 291016284 /nfs/dbraw/zinc/01/62/84/291016284.db2.gz YKXMCSLTPPEYGG-LYRJTVSSSA-N 0 0 332.484 5.174 1 30 biogenic,in-vitro EKEFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000095918624 291014702 /nfs/dbraw/zinc/01/47/02/291014702.db2.gz WJKQTIOYPFPGQW-VZRGJMDUSA-N 0 0 326.480 5.820 1 30 biogenic,in-vitro EKEFRN C=CCCCCCCCCCc1ccc2c(ccc3ccccc32)c1 ZINC000095919309 291014475 /nfs/dbraw/zinc/01/44/75/291014475.db2.gz LCGUYDCJPRVNCX-UHFFFAOYSA-N 0 0 330.515 7.842 1 30 biogenic,in-vitro EKEFRN CCCCCCCCCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000096937981 218902597 /nfs/dbraw/zinc/90/25/97/218902597.db2.gz UQVSFEQJXBBUBH-UHFFFAOYSA-N 0 0 331.485 5.284 1 30 EKEFRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000097831985 219059889 /nfs/dbraw/zinc/05/98/89/219059889.db2.gz PUDGGZZWHVHOOD-VTGBELTLSA-N 0 0 333.460 5.285 1 30 EKEFRN CCCCCCCC(=O)OCC(C)COC(=O)CCCCCCC ZINC000098084549 219081137 /nfs/dbraw/zinc/08/11/37/219081137.db2.gz SVHGSGCJZVHBCS-UHFFFAOYSA-N 0 0 342.520 5.430 1 30 EKEFRN N#Cc1c2nc3ccc(Cl)cc3n2c(Cl)cc1-c1ccccc1 ZINC000098085333 219081248 /nfs/dbraw/zinc/08/12/48/219081248.db2.gz DYMNBHZOJDGZQR-UHFFFAOYSA-N 0 0 338.197 5.333 1 30 EKEFRN Cc1ccc(/C=C2\CCC[C@H](CN(C)c3ccc(C)cc3)C2=O)cc1 ZINC000098085394 219081224 /nfs/dbraw/zinc/08/12/24/219081224.db2.gz VATWTLCAFKQAIS-LSSXRZCCSA-N 0 0 333.475 5.192 1 30 EKEFRN Cc1ccc(/C=C2\CCC[C@H](CN(C)c3cccc(C)c3)C2=O)cc1 ZINC000098085396 219080877 /nfs/dbraw/zinc/08/08/77/219080877.db2.gz IOUHFSGRYJBBNQ-LSSXRZCCSA-N 0 0 333.475 5.192 1 30 EKEFRN CCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)CC ZINC000100060164 219089863 /nfs/dbraw/zinc/08/98/63/219089863.db2.gz GMIWDDHRSAWZAW-RPWUZVMVSA-N 0 0 338.664 9.320 1 30 EKEFRN CCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)OC ZINC000100111692 201059221 /nfs/dbraw/zinc/05/92/21/201059221.db2.gz WWJSOMZBUQZFPA-GOSISDBHSA-N 0 0 328.493 5.182 1 30 EKEFRN CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC ZINC000100168505 219093146 /nfs/dbraw/zinc/09/31/46/219093146.db2.gz BRACWSIXBQMMPL-QXMHVHEDSA-N 0 0 338.576 7.367 1 30 in-vitro EKEFRN CCCCCCCCCCCC(=O)OCCCCCCCCCC ZINC000100302672 219096246 /nfs/dbraw/zinc/09/62/46/219096246.db2.gz RAPXDXJBAYUBHI-UHFFFAOYSA-N 0 0 340.592 7.591 1 30 EKEFRN CCCCCCCCCCCCCCCC(=O)OCCCCCC ZINC000100306067 219096607 /nfs/dbraw/zinc/09/66/07/219096607.db2.gz IOVYZELOJXWQKD-UHFFFAOYSA-N 0 0 340.592 7.591 1 30 EKEFRN CCCCCCCCCCCCCCCCCCCC[C@H](O)CO ZINC000100308116 219096597 /nfs/dbraw/zinc/09/65/97/219096597.db2.gz DSTFRDBEOMKTOS-QFIPXVFZSA-N 0 0 342.608 6.771 1 30 in-vitro EKEFRN CCCCCCCCCCCCCCCCCCCC[C@@H](O)CO ZINC000100308121 219096418 /nfs/dbraw/zinc/09/64/18/219096418.db2.gz DSTFRDBEOMKTOS-JOCHJYFZSA-N 0 0 342.608 6.771 1 30 in-vitro EKEFRN CCCC1(CCC)CC(=O)C([C@@H](c2ccccc2)C2CC2)C(=O)O1 ZINC000100785571 219106777 /nfs/dbraw/zinc/10/67/77/219106777.db2.gz JLXPKTFSPHFSLJ-SFHVURJKSA-N 0 0 328.452 5.278 1 30 EKEFRN CCCC1(CCC)CC(=O)C([C@H](c2ccccc2)C2CC2)C(=O)O1 ZINC000100785580 581094519 /nfs/dbraw/zinc/09/45/19/581094519.db2.gz JLXPKTFSPHFSLJ-GOSISDBHSA-N 0 0 328.452 5.278 1 30 EKEFRN CCCCCCCCCC(=O)C=C(O)C=Cc1ccc(O)c(OC)c1 ZINC000100885739 291016287 /nfs/dbraw/zinc/01/62/87/291016287.db2.gz NILVTWAPVHQVPS-PBYGQCEKSA-N 0 0 346.467 5.566 1 30 biogenic,in-vitro EKEFRN C=C(c1ccc2nc(OC)c(CC)cc2c1)[C@H]1CC[C@@H](OC)CC1 ZINC000100994198 219113637 /nfs/dbraw/zinc/11/36/37/219113637.db2.gz WAWDAUXPOBTIET-RUCARUNLSA-N 0 0 325.452 5.024 1 30 EKEFRN CCCCCCCC[C@@H]1C=CC(=O)/C1=C/CCCCCC(=O)OC ZINC000101117604 219116989 /nfs/dbraw/zinc/11/69/89/219116989.db2.gz LSTVYVUFIRLHJM-XWALVKJWSA-N 0 0 334.500 5.542 1 30 EKEFRN Cc1ccc(C=CC(=O)C2=C(O)C(=Cc3ccc(C)cc3)CCC2)cc1 ZINC000101120978 219116730 /nfs/dbraw/zinc/11/67/30/219116730.db2.gz XNNNENDVVZGITF-GGBWHDJQSA-N 0 0 344.454 5.965 1 30 EKEFRN Cc1ccc(C=CC(=O)C2=C(O)C(=Cc3ccc(C)cc3)CC2)cc1 ZINC000101122346 219117251 /nfs/dbraw/zinc/11/72/51/219117251.db2.gz JWUDKUZKNUKUFD-BSYCJIONSA-N 0 0 330.427 5.575 1 30 EKEFRN CCCCCC/C=C/[C@@H]1C=CC(=O)/C1=C/CCCCCC(=O)OC ZINC000101268459 219120592 /nfs/dbraw/zinc/12/05/92/219120592.db2.gz ZCZKCNMVKKKMNI-MPZMTSDYSA-N 0 0 332.484 5.318 1 30 EKEFRN CCCCCCCCCC(=O)C=C(O)C=Cc1ccc(O)c(OC)c1 ZINC000101342447 204005458 /nfs/dbraw/zinc/00/54/58/204005458.db2.gz BCPSEEXFXGUUKF-PQPLKPFKSA-N 0 0 346.467 5.566 1 30 EKEFRN CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@H]2c1ccc(F)cc1 ZINC000101351162 219123064 /nfs/dbraw/zinc/12/30/64/219123064.db2.gz MCYIOUSRIOOVQR-SFHVURJKSA-N 0 0 347.433 5.197 1 30 EKEFRN CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@@H]2c1ccc(F)cc1 ZINC000101351164 204005499 /nfs/dbraw/zinc/00/54/99/204005499.db2.gz MCYIOUSRIOOVQR-GOSISDBHSA-N 0 0 347.433 5.197 1 30 EKEFRN Cc1ccc(C2=C[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N2)cc1 ZINC000101351178 219122909 /nfs/dbraw/zinc/12/29/09/219122909.db2.gz VLWOYPUWYSVAPC-LJQANCHMSA-N 0 0 343.470 5.366 1 30 EKEFRN Cc1ccc(C2=C[C@@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)N2)cc1 ZINC000101351182 219123246 /nfs/dbraw/zinc/12/32/46/219123246.db2.gz VLWOYPUWYSVAPC-IBGZPJMESA-N 0 0 343.470 5.366 1 30 EKEFRN C#C[C@H](O)/C=C/CCCCCCCC[C@@H](C)CCCCCCCC ZINC000101530137 201058884 /nfs/dbraw/zinc/05/88/84/201058884.db2.gz OJSONOXLRPJULC-LFDGHUCHSA-N 0 0 334.588 7.044 1 30 EKEFRN C#C[C@@H](O)/C=C/CCCCCCCC[C@@H](C)CCCCCCCC ZINC000101647645 219150502 /nfs/dbraw/zinc/15/05/02/219150502.db2.gz OJSONOXLRPJULC-OWKNICNKSA-N 0 0 334.588 7.044 1 30 EKEFRN CCC(Nc1ccccc1OC)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000101675434 219155035 /nfs/dbraw/zinc/15/50/35/219155035.db2.gz QRBCKJATBNSBEN-RNWAHURQSA-N 0 0 349.430 5.137 1 30 EKEFRN CC1=CCCC(C)(C)[C@H]1/C=C/C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000101679672 219154887 /nfs/dbraw/zinc/15/48/87/219154887.db2.gz QDUFYPUVIBGHLG-YSDUONDLSA-N 0 0 325.408 5.116 1 30 EKEFRN Cc1cc(C)cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 ZINC000101955097 219175700 /nfs/dbraw/zinc/17/57/00/219175700.db2.gz XBLRXSDOQKZQRY-UHFFFAOYSA-N 0 0 325.411 5.480 1 30 EKEFRN C=C1CC/C=C(\C)CC[C@@H]2C(=C(C)C)C(=O)C[C@@]2(C)C[C@@H]1OC(C)=O ZINC000102023388 204030043 /nfs/dbraw/zinc/03/00/43/204030043.db2.gz WYZJBWCWBBQHFF-YLKJAGNESA-N 0 0 344.495 5.316 1 30 EKEFRN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 ZINC000102073316 204031882 /nfs/dbraw/zinc/03/18/82/204031882.db2.gz BTWXEONYKQDQIT-QGZVFWFLSA-N 0 0 335.834 5.075 1 30 EKEFRN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 ZINC000102073319 219185204 /nfs/dbraw/zinc/18/52/04/219185204.db2.gz BTWXEONYKQDQIT-KRWDZBQOSA-N 0 0 335.834 5.075 1 30 EKEFRN 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ZINC000103215881 219271770 /nfs/dbraw/zinc/27/17/70/219271770.db2.gz GCOXXUDRGUNZJQ-SOFGYWHQSA-N 0 0 328.198 5.438 1 30 EKEFRN O=C(/C=C/c1ccc(F)cc1F)c1cc2ccccc2nc1Cl ZINC000103215948 204068240 /nfs/dbraw/zinc/06/82/40/204068240.db2.gz HWHKHMYAIHAVQA-SOFGYWHQSA-N 0 0 329.733 5.063 1 30 EKEFRN O=C(/C=C/c1cc(Cl)ccc1Cl)c1ccnc2ccccc21 ZINC000103216049 219271292 /nfs/dbraw/zinc/27/12/92/219271292.db2.gz OPZUVCVLFZHFCJ-VMPITWQZSA-N 0 0 328.198 5.438 1 30 EKEFRN CCCCCCCCCCCCCCCCCC(=O)N(CC)CC ZINC000103219268 219271765 /nfs/dbraw/zinc/27/17/65/219271765.db2.gz QPDIFNAJIOOAQI-UHFFFAOYSA-N 0 0 339.608 7.116 1 30 EKEFRN CCCCO/N=C1/CCCCCCCCCCC(=O)OCCC1 ZINC000103222566 219271076 /nfs/dbraw/zinc/27/10/76/219271076.db2.gz SJTDPEJIWFUXLR-ZZEZOPTASA-N 0 0 325.493 5.397 1 30 EKEFRN Cc1cc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c(C)s1 ZINC000103223232 219271647 /nfs/dbraw/zinc/27/16/47/219271647.db2.gz KHODNIUIFQKOSX-DHZHZOJOSA-N 0 0 325.477 5.251 1 30 EKEFRN O=C(/C=C/c1ccc(N2CCCCC2)cc1)c1sccc1Cl ZINC000103223238 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C(=NNc1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 ZINC000103296095 219286165 /nfs/dbraw/zinc/28/61/65/219286165.db2.gz KCQNWTXKDFQAFA-KGENOOAVSA-N 0 0 345.427 5.535 1 30 EKEFRN CCCC1=C2NC(CCC)(CCC)C[C@@H]2NC(CCC)(CCC)C1=O ZINC000103538953 291015729 /nfs/dbraw/zinc/01/57/29/291015729.db2.gz KRYHOUYPZNOWCF-SFHVURJKSA-N 0 0 348.575 5.253 1 30 biogenic,in-vitro EKEFRN CCCCCCCCCC(=O)C=C(O)CCc1ccc(O)c(OC)c1 ZINC000103555469 291016285 /nfs/dbraw/zinc/01/62/85/291016285.db2.gz NHHPKXDVSZIFHK-VLGSPTGOSA-N 0 0 348.483 5.485 1 30 biogenic,in-vitro EKEFRN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1 ZINC000103653833 257685217 /nfs/dbraw/zinc/68/52/17/257685217.db2.gz NOAJZSSLPSHYCQ-LQFHHUIYSA-N 0 0 327.811 5.441 1 30 EKEFRN C=CCO[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920099 221204468 /nfs/dbraw/zinc/20/44/68/221204468.db2.gz OFGWGGOQVPHXAX-JCNKSZRGSA-N 0 0 330.512 5.169 1 30 EKEFRN C/C(C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=N\O ZINC000118930172 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CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/c1ccc(Cc3ccc(N)cc3)cc1)C2 ZINC000169308305 527842409 /nfs/dbraw/zinc/84/24/09/527842409.db2.gz YJPFVGGGDHIJJA-DLRDGTGQSA-N 0 0 332.491 5.778 1 30 EKEFRN CCOC(=O)c1sc(SC(C)C)c(C#N)c1Oc1ccccc1 ZINC000169329766 528399595 /nfs/dbraw/zinc/39/95/95/528399595.db2.gz JWZGYMGHNSPQPA-UHFFFAOYSA-N 0 0 347.461 5.089 1 30 EKEFRN C[C@@H]1CCCCC1N=Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000169330826 206552366 /nfs/dbraw/zinc/55/23/66/206552366.db2.gz OLXXCEJLIUKHTR-ZLFSKHNOSA-N 0 0 335.476 5.941 1 30 EKEFRN C[C@H]1CCCCC1N=Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000169330828 226545895 /nfs/dbraw/zinc/54/58/95/226545895.db2.gz OLXXCEJLIUKHTR-HOEZRSETSA-N 0 0 335.476 5.941 1 30 EKEFRN C[C@@H]1CCCC(N=Nc2nc(-c3ccc4ccccc4c3)cs2)C1 ZINC000169330830 226545412 /nfs/dbraw/zinc/54/54/12/226545412.db2.gz AKEKBTVCXFJYHR-ZLFSKHNOSA-N 0 0 335.476 5.941 1 30 EKEFRN O=C1c2ccccc2O/C1=C\c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000169334603 534853067 /nfs/dbraw/zinc/85/30/67/534853067.db2.gz OPAHOTQMBVTSHO-MOSHPQCFSA-N 0 0 332.786 5.623 1 30 EKEFRN Cc1ccc(Oc2ccc(/C=C3\Oc4ccccc4C3=O)cc2)cc1 ZINC000169334622 226545698 /nfs/dbraw/zinc/54/56/98/226545698.db2.gz FWMRRBRHTQWKJL-STZFKDTASA-N 0 0 328.367 5.404 1 30 EKEFRN C=C(C)[C@H]1C[C@H](OC(C)=O)[C@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@@H]12 ZINC000169338362 526821533 /nfs/dbraw/zinc/82/15/33/526821533.db2.gz AJUISUYGDAPGKA-DPEUSRASSA-N 0 0 330.512 5.993 1 30 EKEFRN C=C(C)[C@H]1C[C@H](OC(C)=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@@H]12 ZINC000169338364 526822588 /nfs/dbraw/zinc/82/25/88/526822588.db2.gz AJUISUYGDAPGKA-DEKUBLQKSA-N 0 0 330.512 5.993 1 30 EKEFRN C=C(C)[C@H]1C[C@H](OC(C)=O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H]12 ZINC000169338366 526822457 /nfs/dbraw/zinc/82/24/57/526822457.db2.gz AJUISUYGDAPGKA-DOEJSIGESA-N 0 0 330.512 5.993 1 30 EKEFRN Clc1ccc(-c2csc(N=NC3CCCCCCC3)n2)cc1 ZINC000169338740 206553051 /nfs/dbraw/zinc/55/30/51/206553051.db2.gz UEXCVPHJBFWJCH-UHFFFAOYSA-N 0 0 333.888 5.976 1 30 EKEFRN CCCN(CCC)c1c(C#N)c2nc3ccccc3n2c2ccccc21 ZINC000169339756 528061681 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ZINC000100506478 219101114 /nfs/dbraw/zinc/10/11/14/219101114.db2.gz AETKGVDWJHDQQU-QZQOTICOSA-N 0 0 338.576 7.367 2 30 EKEFRN CCCCCCCCC[C@@H](S)[C@@H](S)CCCCCCCCC ZINC000100509978 219100966 /nfs/dbraw/zinc/10/09/66/219100966.db2.gz IVMRYRPIBQWFKR-BGYRXZFFSA-N 0 0 346.690 7.865 2 30 EKEFRN CCCCCCCCC[C@@H](S)[C@H](S)CCCCCCCCC ZINC000100509980 219101241 /nfs/dbraw/zinc/10/12/41/219101241.db2.gz IVMRYRPIBQWFKR-WOJBJXKFSA-N 0 0 346.690 7.865 2 30 EKEFRN C=C[C@@](C)(O)CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000003171785 560188686 /nfs/dbraw/zinc/18/86/86/560188686.db2.gz WCNCDVQMEQJFGH-YUQCVWRMSA-N 0 0 348.527 5.044 3 30 in-vitro EKEFRN C=C[C@@](C)(O)CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000003171788 560188691 /nfs/dbraw/zinc/18/86/91/560188691.db2.gz WCNCDVQMEQJFGH-MGFHSNFOSA-N 0 0 348.527 5.044 3 30 in-vitro EKEFRN C=C[C@@](C)(O)CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]12C ZINC000003979075 560192977 /nfs/dbraw/zinc/19/29/77/560192977.db2.gz 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