smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)CC3)ccc21 ZINC000001543312 581092960 /nfs/dbraw/zinc/09/29/60/581092960.db2.gz LKUHOPIEBQOBPT-UHFFFAOYSA-N -1 0 348.486 5.814 1 0 EKAFRM CC(/C=C/c1ccccc1/C=C/C1=C(C)CCCC1(C)C)=C\C(=O)[O-] ZINC000001892596 581093073 /nfs/dbraw/zinc/09/30/73/581093073.db2.gz ZCPDAPYQPPOYPN-SSQQRFAJSA-N -1 0 336.475 6.271 1 0 EKAFRM CCCCCC[C@@H](CCCCC)c1ccc(S(=O)(=O)[O-])cc1 ZINC000002038781 560186144 /nfs/dbraw/zinc/18/61/44/560186144.db2.gz GHNRTXCRBJQVGN-MRXNPFEDSA-N -1 0 326.502 5.568 1 0 in-vitro EKAFRM CCCCCC[C@H](CCCCC)c1ccc(S(=O)(=O)[O-])cc1 ZINC000002038782 560186117 /nfs/dbraw/zinc/18/61/17/560186117.db2.gz GHNRTXCRBJQVGN-INIZCTEOSA-N -1 0 326.502 5.568 1 0 in-vitro EKAFRM O=C([O-])c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 ZINC000003832054 210079163 /nfs/dbraw/zinc/07/91/63/210079163.db2.gz FJFIWHKWHJRREW-UHFFFAOYSA-N -1 0 340.382 5.109 1 0 EKAFRM C[C@H](C(=O)[O-])c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1 ZINC000003986912 210096953 /nfs/dbraw/zinc/09/69/53/210096953.db2.gz KKDPGNCSRACGCK-AWEZNQCLSA-N -1 0 326.411 5.729 1 0 EKAFRM CCc1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000004810034 563511661 /nfs/dbraw/zinc/51/16/61/563511661.db2.gz WYKHZCQTFQGUQH-AKJHWKIKSA-N -1 0 347.458 5.244 1 0 EKAFRM CCc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)cc1 ZINC000004810036 210283573 /nfs/dbraw/zinc/28/35/73/210283573.db2.gz WYKHZCQTFQGUQH-ADDNLYQESA-N -1 0 347.458 5.244 1 0 EKAFRM CCc1ccc([C@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 ZINC000004810038 210283348 /nfs/dbraw/zinc/28/33/48/210283348.db2.gz WYKHZCQTFQGUQH-PCAIFEHESA-N -1 0 347.458 5.244 1 0 EKAFRM CCc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 ZINC000004810040 210283284 /nfs/dbraw/zinc/28/32/84/210283284.db2.gz WYKHZCQTFQGUQH-GTKPJJQQSA-N -1 0 347.458 5.244 1 0 EKAFRM C/C(=C/c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCS2 ZINC000005132292 210396744 /nfs/dbraw/zinc/39/67/44/210396744.db2.gz IHZBEOZNOCNBRM-OWBHPGMISA-N -1 0 338.472 5.719 1 0 EKAFRM C/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)[O-])cc1 ZINC000005132309 210396730 /nfs/dbraw/zinc/39/67/30/210396730.db2.gz NUSIBKZXKHKYDB-PEZBUJJGSA-N -1 0 348.486 6.294 1 0 EKAFRM C/C(=C/c1cccc(C(=O)[O-])c1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000005132312 210396320 /nfs/dbraw/zinc/39/63/20/210396320.db2.gz FWELAWCPFZMRQA-SSZFMOIBSA-N -1 0 348.486 6.294 1 0 EKAFRM C/C(=C/c1ccccc1C(=O)[O-])c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000005132334 210396697 /nfs/dbraw/zinc/39/66/97/210396697.db2.gz NKHXGKGXOLIAEA-PEZBUJJGSA-N -1 0 348.486 6.294 1 0 EKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@H](O)C(=O)[O-] ZINC000005758656 560202829 /nfs/dbraw/zinc/20/28/29/560202829.db2.gz CGKMKXBKVBXUGK-MKXGPGLRSA-N -1 0 328.537 5.507 1 0 in-vitro EKAFRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)[C@H](O)C(=O)[O-] ZINC000005758690 560202823 /nfs/dbraw/zinc/20/28/23/560202823.db2.gz CGKMKXBKVBXUGK-HCXYKTFWSA-N -1 0 328.537 5.507 1 0 in-vitro EKAFRM CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000008689977 201755638 /nfs/dbraw/zinc/75/56/38/201755638.db2.gz LVTFNNBTFWSMKE-VXAMVLJISA-N -1 0 349.515 5.165 1 0 EKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC(=O)[O-] ZINC000012495849 211393077 /nfs/dbraw/zinc/39/30/77/211393077.db2.gz ORMFWDWAJNERRN-VAMGGRTRSA-N -1 0 326.565 6.926 1 0 endogenous,in-man EKAFRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC(=O)[O-] ZINC000012495859 211393902 /nfs/dbraw/zinc/39/39/02/211393902.db2.gz ORMFWDWAJNERRN-HSALFYBXSA-N -1 0 326.565 6.926 1 0 endogenous,in-man EKAFRM [O-]c1c(Cl)cc(Cl)cc1-c1[nH]c(Cl)c(Cl)c1Cl ZINC000013450441 211560147 /nfs/dbraw/zinc/56/01/47/211560147.db2.gz FBRLLYYPGGXCKT-UHFFFAOYSA-N -1 0 331.413 5.654 1 0 in-vitro EKAFRM O=C([O-])CCCCCCCC[C@H](O)CCCCCCCCCCO ZINC000013485721 571702240 /nfs/dbraw/zinc/70/22/40/571702240.db2.gz RIIQXYZWFWMFSB-LJQANCHMSA-N -1 0 344.536 5.056 1 0 endogenous,in-man EKAFRM COc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(C)C)cc1C(C)C ZINC000013522221 201898853 /nfs/dbraw/zinc/89/88/53/201898853.db2.gz LPWCYKDBURUOIZ-HNBVHFCESA-N -1 0 342.479 5.932 1 0 EKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)C(=O)[O-] ZINC000013540450 560219131 /nfs/dbraw/zinc/21/91/31/560219131.db2.gz CQJGVSCAFSXDSB-KZNAEPCWSA-N -1 0 326.521 5.715 1 0 in-vitro EKAFRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)C(=O)[O-] ZINC000013540452 560219124 /nfs/dbraw/zinc/21/91/24/560219124.db2.gz CQJGVSCAFSXDSB-FGTMMUONSA-N -1 0 326.521 5.715 1 0 in-vitro EKAFRM CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-] ZINC000013543118 201056981 /nfs/dbraw/zinc/05/69/81/201056981.db2.gz TWSWSIQAPQLDBP-QGDKPUJISA-N -1 0 332.528 6.997 1 0 EKAFRM CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCC(=O)[O-] ZINC000013543119 201056465 /nfs/dbraw/zinc/05/64/65/201056465.db2.gz TWSWSIQAPQLDBP-MLFLMRJSSA-N -1 0 332.528 6.997 1 0 EKAFRM CC1(C)CCC(C)(C)c2cc(Cc3coc(/C=C/C(=O)[O-])c3)ccc21 ZINC000013560350 581092944 /nfs/dbraw/zinc/09/29/44/581092944.db2.gz GPLSMLHEZAREAH-SOFGYWHQSA-N -1 0 338.447 5.317 1 0 EKAFRM Cc1cc(SCC(=O)[O-])cc(C)c1Oc1ccc(O)c(C(C)C)c1 ZINC000013602489 211590380 /nfs/dbraw/zinc/59/03/80/211590380.db2.gz BRJMQPVPYANNPC-UHFFFAOYSA-N -1 0 346.448 5.101 1 0 EKAFRM CC(C)c1ccc(O[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000013604730 211590590 /nfs/dbraw/zinc/59/05/90/211590590.db2.gz UFLVUFJSNZVMCK-NRFANRHFSA-N -1 0 334.415 5.038 1 0 EKAFRM CCCc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000013604797 201902770 /nfs/dbraw/zinc/90/27/70/201902770.db2.gz DAPZVFMPUMSTES-JOCHJYFZSA-N -1 0 340.463 5.227 1 0 EKAFRM O=C([O-])/C=C/C=C/c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000013606297 211590056 /nfs/dbraw/zinc/59/00/56/211590056.db2.gz USZYEMBPSMQPPK-BQJQTIKASA-N -1 0 335.186 5.440 1 0 EKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C(\C(=O)[O-])C(C)C ZINC000013650249 201905554 /nfs/dbraw/zinc/90/55/54/201905554.db2.gz NKQIYDSGIYJXSA-GONLDXPSSA-N -1 0 342.523 6.629 1 0 EKAFRM C[C@H](C(=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000013672524 211603362 /nfs/dbraw/zinc/60/33/62/211603362.db2.gz BFUWIUJNCVHEMS-VIFPVBQESA-N -1 0 328.717 5.214 1 0 EKAFRM O=C([O-])C1(c2ccc(-c3ccc(C4CCCCC4)cc3)c(F)c2)CC1 ZINC000013672564 211603366 /nfs/dbraw/zinc/60/33/66/211603366.db2.gz CBZPNTGBQQEKFH-UHFFFAOYSA-N -1 0 338.422 5.657 1 0 EKAFRM CC[C@@H](C)c1c(Cl)sc2[nH]c(=O)c(-c3ccccc3)c([O-])c21 ZINC000013680026 211607735 /nfs/dbraw/zinc/60/77/35/211607735.db2.gz ZZXFVSNDCYCIHM-SECBINFHSA-N -1 0 333.840 5.129 1 0 EKAFRM C=C(c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013738449 211626681 /nfs/dbraw/zinc/62/66/81/211626681.db2.gz SPARUJQOIBYQHO-UHFFFAOYSA-N -1 0 334.459 5.795 1 0 EKAFRM O=C([O-])c1ccccc1OCCCC1c2ccccc2-c2ccccc21 ZINC000013741278 211629171 /nfs/dbraw/zinc/62/91/71/211629171.db2.gz CCIGMSAABVNSPI-UHFFFAOYSA-N -1 0 344.410 5.356 1 0 EKAFRM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)[C@@H](C)C2(C)C ZINC000013742675 211628836 /nfs/dbraw/zinc/62/88/36/211628836.db2.gz KNVNYVWRFXGLRO-MRXNPFEDSA-N -1 0 348.486 5.960 1 0 EKAFRM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)[C@H](C)C2(C)C ZINC000013742676 581094403 /nfs/dbraw/zinc/09/44/03/581094403.db2.gz KNVNYVWRFXGLRO-INIZCTEOSA-N -1 0 348.486 5.960 1 0 EKAFRM C=C(c1ccc(C(=O)[O-])cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000013742677 581094363 /nfs/dbraw/zinc/09/43/63/581094363.db2.gz ALRYLNXZUBATMZ-UHFFFAOYSA-N -1 0 349.474 5.499 1 0 EKAFRM Cc1cc2c(cc1Oc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013742685 581092388 /nfs/dbraw/zinc/09/23/88/581092388.db2.gz RFZRCCVCGACDPY-UHFFFAOYSA-N -1 0 338.447 5.835 1 0 EKAFRM C[C@H](c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013743074 201912693 /nfs/dbraw/zinc/91/26/93/201912693.db2.gz SEPMSBSPXGWXQU-OAHLLOKOSA-N -1 0 336.475 5.886 1 0 EKAFRM C/C=C(\c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013743077 211629167 /nfs/dbraw/zinc/62/91/67/211629167.db2.gz ADPKGIMONMWKST-KPSZGOFPSA-N -1 0 348.486 6.185 1 0 EKAFRM CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)[O-])cc1-2 ZINC000013765606 560220297 /nfs/dbraw/zinc/22/02/97/560220297.db2.gz RUDAUXBQLBAKOW-UHFFFAOYSA-N -1 0 340.419 5.118 1 0 biogenic,in-vitro EKAFRM COc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)[O-])cc4)[nH]3)cc21 ZINC000013809529 211643107 /nfs/dbraw/zinc/64/31/07/211643107.db2.gz JZVBIJQWQCXGGZ-UHFFFAOYSA-N -1 0 347.370 5.110 1 0 EKAFRM C[C@@H](O)CCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000014449683 560221563 /nfs/dbraw/zinc/22/15/63/560221563.db2.gz NRYRXKPIZDFLGD-LJQANCHMSA-N -1 0 328.537 6.084 1 0 in-vitro EKAFRM O=C([O-])CCCCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000014591349 291017647 /nfs/dbraw/zinc/01/76/47/291017647.db2.gz HVOXKQOMYYREAI-UHFFFAOYSA-N -1 0 334.456 5.334 1 0 biogenic,in-vitro EKAFRM CC(C)=CC/C=C(\C)[C@@H]1Cc2cc(C(=O)[O-])cc(CC=C(C)C)c2O1 ZINC000014611871 560222972 /nfs/dbraw/zinc/22/29/72/560222972.db2.gz FOCRIHXZXHBZHM-GNYRPXIHSA-N -1 0 340.463 5.500 1 0 in-vitro EKAFRM CC(C)=CC/C=C(\C)[C@H]1Cc2cc(C(=O)[O-])cc(CC=C(C)C)c2O1 ZINC000014611872 560222901 /nfs/dbraw/zinc/22/29/01/560222901.db2.gz FOCRIHXZXHBZHM-MOWFPQLSSA-N -1 0 340.463 5.500 1 0 in-vitro EKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000014649192 571717424 /nfs/dbraw/zinc/71/74/24/571717424.db2.gz JQTZSEREVATIFK-UAFMIMERSA-N -1 0 326.565 6.782 1 0 endogenous,in-man EKAFRM CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000014649194 571717114 /nfs/dbraw/zinc/71/71/14/571717114.db2.gz JQTZSEREVATIFK-MTQWCTHYSA-N -1 0 326.565 6.782 1 0 endogenous,in-man EKAFRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000014649196 571717214 /nfs/dbraw/zinc/71/72/14/571717214.db2.gz JQTZSEREVATIFK-IYWMVGAKSA-N -1 0 326.565 6.782 1 0 endogenous,in-man EKAFRM CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000014649198 571717096 /nfs/dbraw/zinc/71/70/96/571717096.db2.gz JQTZSEREVATIFK-VNTMZGSJSA-N -1 0 326.565 6.782 1 0 endogenous,in-man EKAFRM O=C([O-])[C@@H]1C[C@@H]1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000014978946 201945990 /nfs/dbraw/zinc/94/59/90/201945990.db2.gz AYQLRMNZMKEEKX-FGZHOGPDSA-N -1 0 343.426 5.154 1 0 EKAFRM C[C@@H](C(=O)[O-])c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000014978963 211783623 /nfs/dbraw/zinc/78/36/23/211783623.db2.gz XYKVAQZEXQPNRN-MRXNPFEDSA-N -1 0 331.415 5.154 1 0 EKAFRM CC(C)=CCC[C@]1(C)C=Cc2cc(C(=O)[O-])cc(CC=C(C)C)c2O1 ZINC000015252686 201058147 /nfs/dbraw/zinc/05/81/47/201058147.db2.gz TXHBNVYFCZMCPB-JOCHJYFZSA-N -1 0 340.463 5.804 1 0 EKAFRM CC(C)=CCC[C@@]1(C)C=Cc2cc(C(=O)[O-])cc(CC=C(C)C)c2O1 ZINC000015252691 560229640 /nfs/dbraw/zinc/22/96/40/560229640.db2.gz TXHBNVYFCZMCPB-QFIPXVFZSA-N -1 0 340.463 5.804 1 0 biogenic,in-vitro EKAFRM CCCCCCC(=O)c1ccc([O-])c(-c2nc3cc(C)ccc3[nH]2)c1 ZINC000026185113 202140621 /nfs/dbraw/zinc/14/06/21/202140621.db2.gz NRMHXHGWMUBVRJ-UHFFFAOYSA-N -1 0 336.435 5.397 1 0 EKAFRM CCC[C@H]1CC[C@](CC)(CC(=O)[O-])c2[nH]c3c(cccc3CC)c21 ZINC000026279420 202141192 /nfs/dbraw/zinc/14/11/92/202141192.db2.gz LESYMZHLJUQFMH-YCRPNKLZSA-N -1 0 327.468 5.530 1 0 EKAFRM CC[C@@]1(CC(=O)[O-])CC[C@@H](Cc2ccccc2)c2c3ccccc3[nH]c21 ZINC000026286472 581094380 /nfs/dbraw/zinc/09/43/80/581094380.db2.gz SXRHRXQIIXSYKA-SBUREZEXSA-N -1 0 347.458 5.411 1 0 EKAFRM CC[C@]1(CC(=O)[O-])CC[C@@H](Cc2ccccc2)c2c3ccccc3[nH]c21 ZINC000026286478 581094444 /nfs/dbraw/zinc/09/44/44/581094444.db2.gz SXRHRXQIIXSYKA-GAJHUEQPSA-N -1 0 347.458 5.411 1 0 EKAFRM CC[C@@]1(CC(=O)[O-])CC[C@H](Cc2ccccc2)c2c3ccccc3[nH]c21 ZINC000026286942 581094400 /nfs/dbraw/zinc/09/44/00/581094400.db2.gz SXRHRXQIIXSYKA-HXOBKFHXSA-N -1 0 347.458 5.411 1 0 EKAFRM CC[C@]1(CC(=O)[O-])CC[C@H](Cc2ccccc2)c2c3ccccc3[nH]c21 ZINC000026286947 581094436 /nfs/dbraw/zinc/09/44/36/581094436.db2.gz SXRHRXQIIXSYKA-UZUQRXQVSA-N -1 0 347.458 5.411 1 0 EKAFRM CCc1cccc2c1[nH]c1c2[C@@H](CC2CC2)CC[C@@]1(CC)CC(=O)[O-] ZINC000026375809 202141342 /nfs/dbraw/zinc/14/13/42/202141342.db2.gz KBHLDRNNQQQZDC-ZHRRBRCNSA-N -1 0 339.479 5.530 1 0 EKAFRM CCc1cccc2c1[nH]c1c2[C@@H](CC2CC2)CC[C@]1(CC)CC(=O)[O-] ZINC000026375811 202141207 /nfs/dbraw/zinc/14/12/07/202141207.db2.gz KBHLDRNNQQQZDC-OPAMFIHVSA-N -1 0 339.479 5.530 1 0 EKAFRM CCCCc1cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2s1 ZINC000026380242 212516641 /nfs/dbraw/zinc/51/66/41/212516641.db2.gz QZAGIYLQBSTHOM-UHFFFAOYSA-N -1 0 333.236 5.014 1 0 EKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CC[C@H]2C ZINC000026381520 202142487 /nfs/dbraw/zinc/14/24/87/202142487.db2.gz KLRDHDUDDBEDKO-WTNDLDAUSA-N -1 0 334.459 6.120 1 0 EKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc2c(C)c(C)c(C)c(C)c2c1 ZINC000026382105 212516778 /nfs/dbraw/zinc/51/67/78/212516778.db2.gz QSSZZVTXNAEEGF-WYMLVPIESA-N -1 0 344.454 6.332 1 0 EKAFRM CC[C@@H](C)c1cc(N)c(Oc2ccc(C)cc2CC(=O)[O-])c(Cl)c1 ZINC000026382844 212516524 /nfs/dbraw/zinc/51/65/24/212516524.db2.gz HSCFVCLBGYSZSC-GFCCVEGCSA-N -1 0 347.842 5.164 1 0 EKAFRM CC[C@H](C)c1cc(N)c(Oc2ccc(C)cc2CC(=O)[O-])c(Cl)c1 ZINC000026382847 202142735 /nfs/dbraw/zinc/14/27/35/202142735.db2.gz HSCFVCLBGYSZSC-LBPRGKRZSA-N -1 0 347.842 5.164 1 0 EKAFRM CC1(C)CCC(C)(C)c2cc(COc3ccc(C(=O)[O-])cc3)ccc21 ZINC000026387074 202143052 /nfs/dbraw/zinc/14/30/52/202143052.db2.gz SWHFOHPSBVLMKP-UHFFFAOYSA-N -1 0 338.447 5.313 1 0 EKAFRM CCCCCC[C@H](O)/C=C/C=C/CCCCCCCCCC(=O)[O-] ZINC000026578653 212527273 /nfs/dbraw/zinc/52/72/73/212527273.db2.gz YYKDRLLOUHUEFD-ZHKSDQLTSA-N -1 0 338.532 6.026 1 0 EKAFRM CCCCC[C@@H](O)/C=C/C=C/CCCCCCCCCCC(=O)[O-] ZINC000026578690 212527076 /nfs/dbraw/zinc/52/70/76/212527076.db2.gz QOMAELQQSFUYDS-OFPQMIPSSA-N -1 0 338.532 6.026 1 0 EKAFRM CCCCC[C@H](O)/C=C/C=C/CCCCCCCCCCC(=O)[O-] ZINC000026578691 212526927 /nfs/dbraw/zinc/52/69/27/212526927.db2.gz QOMAELQQSFUYDS-ZHKSDQLTSA-N -1 0 338.532 6.026 1 0 EKAFRM Cc1cc(/C=C/c2ccc(C(=O)[O-])cc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000026838860 212536708 /nfs/dbraw/zinc/53/67/08/212536708.db2.gz LPVSNYIKEJTWOA-XYOKQWHBSA-N -1 0 344.454 6.400 1 0 EKAFRM O=C([O-])Cc1ccc2[nH]c(-c3ccccc3)c(Cc3ccccc3)c2c1 ZINC000026981739 202150405 /nfs/dbraw/zinc/15/04/05/202150405.db2.gz HLCLEWIBFDVEJQ-UHFFFAOYSA-N -1 0 341.410 5.053 1 0 EKAFRM O=C([O-])CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl ZINC000027102658 212546928 /nfs/dbraw/zinc/54/69/28/212546928.db2.gz KAQPSHJZRXDHMW-UHFFFAOYSA-N -1 0 336.818 5.149 1 0 EKAFRM O=C([O-])CCCOc1cccc(/C=C/c2ccc3ccccc3c2)c1 ZINC000027216620 212549799 /nfs/dbraw/zinc/54/97/99/212549799.db2.gz LFXWDOTWJNSJPN-ZHACJKMWSA-N -1 0 332.399 5.254 1 0 EKAFRM C/C(=C\C=C\[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)C(C)(C)CCS2 ZINC000027441133 202155416 /nfs/dbraw/zinc/15/54/16/202155416.db2.gz JBYUAIVUCGPCAT-ISXJNOANSA-N -1 0 328.477 5.140 1 0 EKAFRM CC(C)c1ccc(O[C@@](C)(Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000027525716 202156725 /nfs/dbraw/zinc/15/67/25/202156725.db2.gz SYUHLJGOEOJTMZ-QHCPKHFHSA-N -1 0 348.442 5.428 1 0 EKAFRM CC(C)c1ccc([C@H](F)[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000027547436 212563336 /nfs/dbraw/zinc/56/33/36/212563336.db2.gz ZMVSDMQINKQYLH-ICSRJNTNSA-N -1 0 348.845 5.808 1 0 EKAFRM CC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027638911 571740408 /nfs/dbraw/zinc/74/04/08/571740408.db2.gz BCTXZWCPBLWCRV-MITSVBBBSA-N -1 0 344.495 5.760 1 0 endogenous,in-man EKAFRM CC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027638917 571740911 /nfs/dbraw/zinc/74/09/11/571740911.db2.gz BCTXZWCPBLWCRV-QJJBBLQJSA-N -1 0 344.495 5.760 1 0 endogenous,in-man EKAFRM CC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027638922 571740773 /nfs/dbraw/zinc/74/07/73/571740773.db2.gz BCTXZWCPBLWCRV-OJHPZFCVSA-N -1 0 344.495 5.760 1 0 endogenous,in-man EKAFRM CC[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027638934 571740626 /nfs/dbraw/zinc/74/06/26/571740626.db2.gz OSXOPUBJJDUAOJ-SDRHCZSHSA-N -1 0 344.495 5.760 1 0 endogenous,in-man EKAFRM CC[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027638941 571740667 /nfs/dbraw/zinc/74/06/67/571740667.db2.gz OSXOPUBJJDUAOJ-GDKKDORTSA-N -1 0 344.495 5.760 1 0 endogenous,in-man EKAFRM CC[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027638948 571740946 /nfs/dbraw/zinc/74/09/46/571740946.db2.gz OSXOPUBJJDUAOJ-LTJYYOKGSA-N -1 0 344.495 5.760 1 0 endogenous,in-man EKAFRM C[C@]1(CC(F)F)CC=C2[C@H](CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)C1 ZINC000027640412 202158456 /nfs/dbraw/zinc/15/84/56/202158456.db2.gz UOSXMUVQMSJAOK-BWFCJQBJSA-N -1 0 340.454 5.675 1 0 EKAFRM C[C@]1(CC(F)F)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)C1 ZINC000027640416 212569803 /nfs/dbraw/zinc/56/98/03/212569803.db2.gz UOSXMUVQMSJAOK-LRLHPVAZSA-N -1 0 340.454 5.675 1 0 EKAFRM COCC[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)C1 ZINC000027640895 212570035 /nfs/dbraw/zinc/57/00/35/212570035.db2.gz RKRKYGRCYRXULL-RJQCYMMPSA-N -1 0 334.500 5.057 1 0 EKAFRM COCC[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)C1 ZINC000027640911 202158480 /nfs/dbraw/zinc/15/84/80/202158480.db2.gz RKRKYGRCYRXULL-ACOOPHAKSA-N -1 0 334.500 5.057 1 0 EKAFRM CC/C=C\C/C=C\C/C=C\C/C=C\C=C/[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000027643176 212570113 /nfs/dbraw/zinc/57/01/13/212570113.db2.gz OZXAIGIRPOOJTI-NPZMNTDFSA-N -1 0 344.495 5.520 1 0 in-man EKAFRM CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C/CCC(=O)[O-] ZINC000027643190 212569924 /nfs/dbraw/zinc/56/99/24/212569924.db2.gz ZHBVYDMSPDDAKE-PPYBYVIMSA-N -1 0 344.495 5.520 1 0 in-man EKAFRM CC/C=C\C/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C/C=C\CCC(=O)[O-] ZINC000027643220 202158566 /nfs/dbraw/zinc/15/85/66/202158566.db2.gz LTERDCBCHFKFRI-FHHKBOEGSA-N -1 0 344.495 5.520 1 0 in-man EKAFRM CC/C=C\C=C/[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000027643279 212570180 /nfs/dbraw/zinc/57/01/80/212570180.db2.gz CSXQXWHAGLIFIH-XSGGRNSSSA-N -1 0 344.495 5.520 1 0 in-man EKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\c1ccccc1C(=O)[O-] ZINC000027656330 212570868 /nfs/dbraw/zinc/57/08/68/212570868.db2.gz QSYOQANFSIMMJR-CELLILHISA-N -1 0 336.475 6.427 1 0 EKAFRM CC(/C=C/c1ccoc1/C=C/C1=C(C)CCCC1(C)C)=C\C(=O)[O-] ZINC000027657055 581093007 /nfs/dbraw/zinc/09/30/07/581093007.db2.gz GEEFKEZJFGRKJY-RFJZBCCMSA-N -1 0 326.436 5.864 1 0 EKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H](CCCC(=O)[O-])CCC[C@]12C ZINC000027707217 212573996 /nfs/dbraw/zinc/57/39/96/212573996.db2.gz GNNWYNIVILNUKO-AIYVTKCESA-N -1 0 336.560 6.536 1 0 EKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H](CCCC(=O)[O-])CCC[C@]12C ZINC000027707226 212574187 /nfs/dbraw/zinc/57/41/87/212574187.db2.gz GNNWYNIVILNUKO-CDVBAKLBSA-N -1 0 336.560 6.536 1 0 EKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C/C(=O)[O-])CCC[C@@]21C ZINC000027707240 212573536 /nfs/dbraw/zinc/57/35/36/212573536.db2.gz ANYMJHVXVDISBK-RUXHVADKSA-N -1 0 332.528 6.232 1 0 EKAFRM CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000027719619 212573731 /nfs/dbraw/zinc/57/37/31/212573731.db2.gz HGGVUZHIUHCATB-OOUGZNGESA-N -1 0 338.491 6.026 1 0 in-vitro EKAFRM CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1C[C@H]1CCCCC(=O)[O-] ZINC000027876815 202161891 /nfs/dbraw/zinc/16/18/91/202161891.db2.gz DUTNGCOLYMDALQ-FKWHVNQQSA-N -1 0 330.512 6.463 1 0 EKAFRM CCc1ccc(-c2nc3cc(C(=O)[O-])ccc3n2C2CCCCC2)o1 ZINC000028106427 202165652 /nfs/dbraw/zinc/16/56/52/202165652.db2.gz GQQXYMCZOJCMTQ-UHFFFAOYSA-N -1 0 338.407 5.062 1 0 EKAFRM O=C([O-])c1ccc2c(cc(-c3ccc(O)cc3)n2C2CCCCC2)c1 ZINC000028122264 212601198 /nfs/dbraw/zinc/60/11/98/212601198.db2.gz TZVYSDSTHJAION-UHFFFAOYSA-N -1 0 335.403 5.217 1 0 EKAFRM O=C([O-])c1ccc2c(c1)[nH]c(-c1ccc(O)cc1)c2C1CCCCC1 ZINC000028125362 202165412 /nfs/dbraw/zinc/16/54/12/202165412.db2.gz NOCSUGAETHZAQM-UHFFFAOYSA-N -1 0 335.403 5.286 1 0 EKAFRM COc1ccc(Cc2oc3c(c2C)c([O-])c(Cl)cc3Cl)cc1 ZINC000028217938 212603426 /nfs/dbraw/zinc/60/34/26/212603426.db2.gz LLOMWHDIOREQTQ-UHFFFAOYSA-N -1 0 337.202 5.353 1 0 EKAFRM CCSc1c2cc(C)n(-c3ccccc3)c2ccc1/C=C/C(=O)[O-] ZINC000028524973 202171093 /nfs/dbraw/zinc/17/10/93/202171093.db2.gz RHIJPCRTKAAVPK-ZRDIBKRKSA-N -1 0 337.444 5.149 1 0 EKAFRM CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(=O)[O-] ZINC000028648301 202173673 /nfs/dbraw/zinc/17/36/73/202173673.db2.gz CWAIPBKZSWRXCS-SNVHKSNESA-N -1 0 326.480 6.159 1 0 EKAFRM CC1(C)CCC(C)(C)c2cc(-c3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC000028648304 202174339 /nfs/dbraw/zinc/17/43/39/202174339.db2.gz WCCFPGNGRCRLJN-KPKJPENVSA-N -1 0 334.459 5.800 1 0 EKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C(/F)c1ccc(C(=O)[O-])cc1 ZINC000028755697 212633814 /nfs/dbraw/zinc/63/38/14/212633814.db2.gz JNVNIQZEQPKSMF-VNTZDZIASA-N -1 0 328.427 6.168 1 0 EKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\c1ccc(C(=O)[O-])cc1F ZINC000028755994 202176724 /nfs/dbraw/zinc/17/67/24/202176724.db2.gz FYQMKTRTZFHYDH-ZZZNDOSKSA-N -1 0 328.427 6.010 1 0 EKAFRM COc1cc(C(=O)[O-])ccc1/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000028756522 202176864 /nfs/dbraw/zinc/17/68/64/202176864.db2.gz VXWUTFILVRGFFN-ZHHJNAGPSA-N -1 0 340.463 5.880 1 0 EKAFRM CCCCCCC(C)(C)c1ccc(-c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000028822135 202177728 /nfs/dbraw/zinc/17/77/28/202177728.db2.gz BSCVBLAAUQIHKD-UHFFFAOYSA-N -1 0 340.463 6.005 1 0 EKAFRM CC(C)Cc1cn(-c2ccccc2C(=O)[O-])c2cc(Cl)ccc12 ZINC000029044543 202180382 /nfs/dbraw/zinc/18/03/82/202180382.db2.gz OJOJGNMTSBDKPN-UHFFFAOYSA-N -1 0 327.811 5.181 1 0 EKAFRM CC(C)(C)Cc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12 ZINC000029044715 212649174 /nfs/dbraw/zinc/64/91/74/212649174.db2.gz LJUYCVPMPFITBD-UHFFFAOYSA-N -1 0 348.855 5.027 1 0 EKAFRM CC1(C)CCC(C)(C)c2cc([C@H]3C[C@H]3c3ccc(C(=O)[O-])cc3)ccc21 ZINC000029327400 212662979 /nfs/dbraw/zinc/66/29/79/212662979.db2.gz MTIYIBBJPCLFQW-RBUKOAKNSA-N -1 0 348.486 6.005 1 0 EKAFRM Cc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029331175 581092330 /nfs/dbraw/zinc/09/23/30/581092330.db2.gz QDMPFSKFQBFHHB-UHFFFAOYSA-N -1 0 337.394 5.345 1 0 EKAFRM Cc1c(-c2ccc3ccccc3c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029333640 202185308 /nfs/dbraw/zinc/18/53/08/202185308.db2.gz PRXZFHNBDYQGIS-UHFFFAOYSA-N -1 0 331.346 5.201 1 0 EKAFRM O=C([O-])c1cc(-c2ccc(-c3ccccc3)cc2)nc2sccc21 ZINC000029335811 202185619 /nfs/dbraw/zinc/18/56/19/202185619.db2.gz LBLUKZDJRQOAMW-UHFFFAOYSA-N -1 0 331.396 5.329 1 0 EKAFRM O=C([O-])c1ccc(-c2ccc3c(ccn3CC3CCCCC3)c2)cc1 ZINC000029340660 202185788 /nfs/dbraw/zinc/18/57/88/202185788.db2.gz VZFSTROZBQKVSV-UHFFFAOYSA-N -1 0 333.431 5.587 1 0 EKAFRM CCCC(CCC)n1ccc2cc(-c3ccc(C(=O)[O-])cc3)ccc21 ZINC000029345408 202185005 /nfs/dbraw/zinc/18/50/05/202185005.db2.gz USRLFOQTYRSJLQ-UHFFFAOYSA-N -1 0 335.447 6.148 1 0 EKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](/C=C/c3cccc(C(=O)[O-])c3)CCC[C@H]12 ZINC000029345435 212663489 /nfs/dbraw/zinc/66/34/89/212663489.db2.gz MDXUELSLJRDCPN-CSJKLXBTSA-N -1 0 342.479 5.002 1 0 EKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](/C=C/c3ccccc3C(=O)[O-])CCC[C@H]12 ZINC000029388709 202185988 /nfs/dbraw/zinc/18/59/88/202185988.db2.gz LNLSVAZYFBDZJU-QWSKSBCWSA-N -1 0 342.479 5.002 1 0 EKAFRM CCn1c2ccccc2c(C2=CC[C@@H](C(=O)[O-])CC2)c1-c1ccccc1 ZINC000029395363 202185380 /nfs/dbraw/zinc/18/53/80/202185380.db2.gz NUVRAOKMASVDRS-GOSISDBHSA-N -1 0 345.442 5.596 1 0 EKAFRM [O-]c1c(Cl)c(Cl)c(-c2ccc(CO)cc2)c(Cl)c1Cl ZINC000029414700 202187331 /nfs/dbraw/zinc/18/73/31/202187331.db2.gz LDQKVDOKIOUUNA-UHFFFAOYSA-N -1 0 338.017 5.165 1 0 EKAFRM Cc1ccc(C)c2oc(-c3ccc(-c4cccc(C(=O)[O-])c4)[nH]3)cc21 ZINC000029417410 212666128 /nfs/dbraw/zinc/66/61/28/212666128.db2.gz IGSJIJYFOFDWMU-UHFFFAOYSA-N -1 0 331.371 5.410 1 0 EKAFRM O=C([O-])c1ccc(-c2ccc(-c3cc4cc(Cl)ccc4o3)[nH]2)o1 ZINC000029468316 202187718 /nfs/dbraw/zinc/18/77/18/202187718.db2.gz TWNRLKJPNUIAHH-UHFFFAOYSA-N -1 0 327.723 5.040 1 0 EKAFRM Cc1cc(C)c(C)c2cc(-c3ccc(-c4ccc(C(=O)[O-])o4)[nH]3)oc21 ZINC000029470788 212667496 /nfs/dbraw/zinc/66/74/96/212667496.db2.gz GQZCJWVPBKVCEX-UHFFFAOYSA-N -1 0 335.359 5.311 1 0 EKAFRM CCCCC/C=C\C[C@@H](C)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)[O-] ZINC000029481721 202188209 /nfs/dbraw/zinc/18/82/09/202188209.db2.gz CJHXJQVOZSVURY-XWRXVLDRSA-N -1 0 334.500 5.434 1 0 EKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC[P@@](=O)([O-])O ZINC000029552520 202189045 /nfs/dbraw/zinc/18/90/45/202189045.db2.gz AEYSUBKSILBNEA-CBXDKUCNSA-N -1 0 328.433 5.754 1 0 EKAFRM CCC/C=C/C/C=C\CCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000033831912 291015560 /nfs/dbraw/zinc/01/55/60/291015560.db2.gz KAOMOVYHGLSFHQ-HTKRNXBHSA-N -1 0 344.495 6.276 1 0 biogenic,in-vitro EKAFRM CO[C@H](C)C1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CC1 ZINC000033953699 202271823 /nfs/dbraw/zinc/27/18/23/202271823.db2.gz RKWVSFHNPUONCU-SPWJMNGISA-N -1 0 330.468 5.228 1 0 EKAFRM Cc1c(Sc2ccc(Cl)cc2)c2cc(C)ccc2n1CC(=O)[O-] ZINC000034094548 202272882 /nfs/dbraw/zinc/27/28/82/202272882.db2.gz BVKCMKBKPMUHOY-UHFFFAOYSA-N -1 0 345.851 5.147 1 0 EKAFRM O=C([O-])c1ccc2nc(-c3ccccc3)c(C3CCCCC3)cc2c1 ZINC000035001686 213003411 /nfs/dbraw/zinc/00/34/11/213003411.db2.gz QFABODRYARQEBM-UHFFFAOYSA-N -1 0 331.415 5.648 1 0 EKAFRM CC(C)c1cccc2c1nc(-c1ccc(Cl)cc1)c(O)c2C(=O)[O-] ZINC000035086909 202286651 /nfs/dbraw/zinc/28/66/51/202286651.db2.gz LZDBRAMBTQQSII-UHFFFAOYSA-N -1 0 341.794 5.082 1 0 EKAFRM CC(C)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c(O)c2C(=O)[O-] ZINC000035086911 213007615 /nfs/dbraw/zinc/00/76/15/213007615.db2.gz IYMJGYGFRIAQHZ-UHFFFAOYSA-N -1 0 341.794 5.082 1 0 EKAFRM CC(C)c1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)[O-])c2c1 ZINC000035086913 213008467 /nfs/dbraw/zinc/00/84/67/213008467.db2.gz XQEPCEZFJSMMPZ-UHFFFAOYSA-N -1 0 341.794 5.082 1 0 EKAFRM C/C=C(\C)CC(/C=C(C)/C=C1\CCCC(CC)=C1C(C)C)=C/C(=O)[O-] ZINC000036241970 213078619 /nfs/dbraw/zinc/07/86/19/213078619.db2.gz WYHSHAGPFOUSAQ-LUYUSAMYSA-N -1 0 342.523 6.773 1 0 EKAFRM CC(/C=C/CNc1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)[O-] ZINC000036241988 213079271 /nfs/dbraw/zinc/07/92/71/213079271.db2.gz NODDTTLQMMNKAJ-QCTDOKRBSA-N -1 0 329.484 5.281 1 0 EKAFRM CC(/C=C/CN(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)[O-] ZINC000036241990 213078863 /nfs/dbraw/zinc/07/88/63/213078863.db2.gz MUAWNZBLKUQMAM-HMSDUJDUSA-N -1 0 343.511 5.305 1 0 EKAFRM O=C([O-])c1cc2c([nH]c(-c3ccccc3)c2C2CCCCC2)s1 ZINC000036350431 213087544 /nfs/dbraw/zinc/08/75/44/213087544.db2.gz VLNRFOBEOKWKKS-UHFFFAOYSA-N -1 0 325.433 5.642 1 0 EKAFRM O=C([O-])c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1 ZINC000036350455 213087622 /nfs/dbraw/zinc/08/76/22/213087622.db2.gz KWJJDJJGUBFGKF-UHFFFAOYSA-N -1 0 325.433 5.642 1 0 EKAFRM Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)[O-])c(Cl)c21 ZINC000036350457 213087936 /nfs/dbraw/zinc/08/79/36/213087936.db2.gz ONAQPZSPGDDIDY-UHFFFAOYSA-N -1 0 343.810 5.448 1 0 EKAFRM Cc1c2cc(C(=O)[O-])ccc2n(C2CCCCC2)c1-c1ccccn1 ZINC000036350461 213087896 /nfs/dbraw/zinc/08/78/96/213087896.db2.gz XWRLNQWTMFAFPT-UHFFFAOYSA-N -1 0 334.419 5.215 1 0 EKAFRM Cc1c2cc(C(=O)[O-])ccc2n(C2CCCCC2)c1-c1ccccc1 ZINC000036350466 213088174 /nfs/dbraw/zinc/08/81/74/213088174.db2.gz NFOKXIAVRFOTIL-UHFFFAOYSA-N -1 0 333.431 5.820 1 0 EKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2CC1 ZINC000036350473 202322464 /nfs/dbraw/zinc/32/24/64/202322464.db2.gz IQUUYNDMIQDMKP-UHFFFAOYSA-N -1 0 345.442 5.610 1 0 EKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2C1 ZINC000036350481 213087886 /nfs/dbraw/zinc/08/78/86/213087886.db2.gz HBGPABVOJDCWGZ-UHFFFAOYSA-N -1 0 331.415 5.416 1 0 EKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2OC1 ZINC000036351221 213087320 /nfs/dbraw/zinc/08/73/20/213087320.db2.gz GUIVZRGAWZFXEJ-UHFFFAOYSA-N -1 0 347.414 5.404 1 0 EKAFRM CN(c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000038542109 213213430 /nfs/dbraw/zinc/21/34/30/213213430.db2.gz HATHCUUYHJQEAP-UHFFFAOYSA-N -1 0 337.463 5.502 1 0 EKAFRM O=C([O-])CC1=C/C(=C\c2cccc3ccccc23)c2ccc(F)cc21 ZINC000040379708 213294887 /nfs/dbraw/zinc/29/48/87/213294887.db2.gz FMXDBQMROQRIEH-MHWRWJLKSA-N -1 0 330.358 5.391 1 0 EKAFRM C[C@H](OC(=S)[N-]c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000040395094 213298045 /nfs/dbraw/zinc/29/80/45/213298045.db2.gz RFHLGSZRGYXJIV-ZDUSSCGKSA-N -1 0 341.863 5.968 1 0 EKAFRM CC(/C=C/C=C(C)\C=C\C1=C(CC(C)C)CCCC1(C)C)=C\C(=O)[O-] ZINC000040403606 213298361 /nfs/dbraw/zinc/29/83/61/213298361.db2.gz HJDXHVHASFJGNS-PPHIEQMISA-N -1 0 342.523 6.629 1 0 EKAFRM Cc1ccc(CCCc2ccc(Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000040411175 213300291 /nfs/dbraw/zinc/30/02/91/213300291.db2.gz OCPKZQVNCPAWTJ-UHFFFAOYSA-N -1 0 345.442 5.612 1 0 EKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)C=C(c1ccc(C(=O)[O-])cc1)C3 ZINC000040465231 213308739 /nfs/dbraw/zinc/30/87/39/213308739.db2.gz PXQLZDXSLKKNMV-UHFFFAOYSA-N -1 0 346.470 5.831 1 0 EKAFRM CC1(C)CCC(C)(C)c2cc(CCc3ccc(C(=O)[O-])cc3)ccc21 ZINC000040465267 213308818 /nfs/dbraw/zinc/30/88/18/213308818.db2.gz KXHLIEBAIGSNDD-UHFFFAOYSA-N -1 0 336.475 5.519 1 0 EKAFRM CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCO)CCCC(=O)[O-] ZINC000040504798 213326218 /nfs/dbraw/zinc/32/62/18/213326218.db2.gz NFLZCRPSCIQSLW-CGVLYMEPSA-N -1 0 348.527 5.825 1 0 EKAFRM CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CO)CCCC(=O)[O-] ZINC000040505151 213325293 /nfs/dbraw/zinc/32/52/93/213325293.db2.gz FLETVOYHEXEYPG-NMSFOHICSA-N -1 0 334.500 5.435 1 0 EKAFRM O=C([O-])c1ccc2cc(C3CCCCC3)c(-c3ccccc3)nc2c1 ZINC000040566877 213352712 /nfs/dbraw/zinc/35/27/12/213352712.db2.gz VSZLFQFTLYETDE-UHFFFAOYSA-N -1 0 331.415 5.648 1 0 EKAFRM CC(/C=C/C=C(C)\C=C\C1=CC(C)(C)[C@@H]2C[C@H]1C2(C)C)=C\C(=O)[O-] ZINC000040846791 213393040 /nfs/dbraw/zinc/39/30/40/213393040.db2.gz XVMVRFZWXUSRHZ-LTEQKDEISA-N -1 0 326.480 5.705 1 0 EKAFRM O=C([O-])CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21 ZINC000040860679 581101637 /nfs/dbraw/zinc/10/16/37/581101637.db2.gz SPRHRBGCDSYOLX-NTEUORMPSA-N -1 0 348.348 5.530 1 0 EKAFRM O=C([O-])CC1=C/C(=C\c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 ZINC000040866372 202466253 /nfs/dbraw/zinc/46/62/53/202466253.db2.gz SQPNVCUGHYUOEK-KPKJPENVSA-N -1 0 348.295 5.257 1 0 EKAFRM C[C@H](OC(=S)[N-]c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000040896238 213398413 /nfs/dbraw/zinc/39/84/13/213398413.db2.gz DFRDBQPIIDBXKX-ZDUSSCGKSA-N -1 0 341.863 5.968 1 0 EKAFRM C[C@@H](OC(=S)[N-]c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000040896241 213398430 /nfs/dbraw/zinc/39/84/30/213398430.db2.gz DFRDBQPIIDBXKX-CYBMUJFWSA-N -1 0 341.863 5.968 1 0 EKAFRM Cc1ccc(CCc2ccc(Nc3ccccc3C(=O)[O-])cc2)cc1C ZINC000040898312 213398472 /nfs/dbraw/zinc/39/84/72/213398472.db2.gz VHKVYVUISSEEQD-UHFFFAOYSA-N -1 0 345.442 5.530 1 0 EKAFRM CCCCC/C=C(\CCCCCCCCCCC(=O)[O-])[N+](=O)[O-] ZINC000043019482 581095086 /nfs/dbraw/zinc/09/50/86/581095086.db2.gz LCOAELZDXRYQHF-SAPNQHFASA-N -1 0 327.465 5.713 1 0 in-vivo EKAFRM CCCCCc1cn(CCCC/C=C\CCCCCCC(=O)[O-])nn1 ZINC000043077812 213557446 /nfs/dbraw/zinc/55/74/46/213557446.db2.gz QYUUOYZAOSPWKQ-ALCCZGGFSA-N -1 0 349.519 5.163 1 0 EKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)CCCC(=O)[O-] ZINC000045364919 202550832 /nfs/dbraw/zinc/55/08/32/202550832.db2.gz OCUNZXSKUXKLRK-NWLVNBMCSA-N -1 0 334.500 6.010 1 0 EKAFRM CCn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000045371719 202551768 /nfs/dbraw/zinc/55/17/68/202551768.db2.gz QDIOFGGSTXUCLN-UHFFFAOYSA-N -1 0 337.419 5.667 1 0 EKAFRM CCCCCCOc1ccc(O[C@@H](C)/C=C(C)/C=C/C(=O)[O-])cc1 ZINC000066102011 215010992 /nfs/dbraw/zinc/01/09/92/215010992.db2.gz BJFIRHJMXXADLR-MSTMLKEUSA-N -1 0 332.440 5.000 1 0 EKAFRM Cc1ccc(-c2cccc(COc3ccc(CCC(=O)[O-])cc3)c2)cc1 ZINC000066122850 215014798 /nfs/dbraw/zinc/01/47/98/215014798.db2.gz QQNHBEDJECFHJR-UHFFFAOYSA-N -1 0 346.426 5.258 1 0 EKAFRM CCOC[C@@H]1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000070457437 291016917 /nfs/dbraw/zinc/01/69/17/291016917.db2.gz LVOCSKOFMXWOOV-HZFQQVEYSA-N -1 0 348.527 5.137 1 0 biogenic,in-vitro EKAFRM O=C([O-])c1cc2cc(Oc3ccccc3)ccc2c(-c2ccccc2)c1 ZINC000071317481 203092147 /nfs/dbraw/zinc/09/21/47/203092147.db2.gz ZGPCPCXGKKJJBA-UHFFFAOYSA-N -1 0 340.378 5.997 1 0 EKAFRM C[C@@H](CC(=O)[O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000071332862 215762536 /nfs/dbraw/zinc/76/25/36/215762536.db2.gz GUUJYCWYHBMJMJ-JTQLQIEISA-N -1 0 325.191 5.364 1 0 EKAFRM CCCC(=O)NCCCC/C=C\CCCCCCCCCC(=O)[O-] ZINC000072110779 216010863 /nfs/dbraw/zinc/01/08/63/216010863.db2.gz AETFBLYCCWQBET-CLFYSBASSA-N -1 0 339.520 5.225 1 0 EKAFRM CCCNC(=O)CCCC/C=C\CCCCCCCCCC(=O)[O-] ZINC000072110780 216010840 /nfs/dbraw/zinc/01/08/40/216010840.db2.gz VUIUYXAJEPECPL-VURMDHGXSA-N -1 0 339.520 5.225 1 0 EKAFRM CCCC(=O)NC/C=C\CCCCCCCCCCCCC(=O)[O-] ZINC000072110800 216009994 /nfs/dbraw/zinc/00/99/94/216009994.db2.gz UCFNHJNUODWRNN-SQFISAMPSA-N -1 0 339.520 5.225 1 0 EKAFRM CCCCNC(=O)CCC/C=C\CCCCCCCCCC(=O)[O-] ZINC000072110833 216010751 /nfs/dbraw/zinc/01/07/51/216010751.db2.gz YFJIKFXIIZAWGG-NTMALXAHSA-N -1 0 339.520 5.225 1 0 EKAFRM Cc1c(Sc2ccccc2Cl)c2cc(C)ccc2n1CC(=O)[O-] ZINC000073160708 201175387 /nfs/dbraw/zinc/17/53/87/201175387.db2.gz SHWWFGVUTSBGRN-UHFFFAOYSA-N -1 0 345.851 5.147 1 0 EKAFRM Fc1ccc2nc([N-]c3nc4c(cccc4Cl)s3)sc2c1 ZINC000073219564 216365806 /nfs/dbraw/zinc/36/58/06/216365806.db2.gz KZIMOLXYGSBLLG-UHFFFAOYSA-N -1 0 335.816 5.442 1 0 EKAFRM CC(C)CCC[C@@]1(C)CCc2cc(C(=O)[O-])cc(CCC(C)C)c2O1 ZINC000084153792 291015073 /nfs/dbraw/zinc/01/50/73/291015073.db2.gz YAMHFDZGNSYRIT-QFIPXVFZSA-N -1 0 346.511 5.883 1 0 biogenic,in-vitro EKAFRM Cc1cc(C)cc(NC(=O)c2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000084375211 217600887 /nfs/dbraw/zinc/60/08/87/217600887.db2.gz SZXRZQQHMPRJNE-UHFFFAOYSA-N -1 0 344.625 5.222 1 0 EKAFRM Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000084689894 203536003 /nfs/dbraw/zinc/53/60/03/203536003.db2.gz PRAXVMOBNOHQJB-UHFFFAOYSA-N -1 0 346.426 5.258 1 0 EKAFRM CC[C@@H](C/C=C/CCC(=O)[O-])CCCCCC[C@@H]1C=C(CO)CC1 ZINC000085489298 291016919 /nfs/dbraw/zinc/01/69/19/291016919.db2.gz OQUAFGNAFAEBEL-UZCSHQTLSA-N -1 0 336.516 5.493 1 0 biogenic,in-vitro EKAFRM O=C([O-])[C@@H](C/C=C/CCCCCCCC[C@@H]1C=CCC1)CCCO ZINC000085489319 291017645 /nfs/dbraw/zinc/01/76/45/291017645.db2.gz YEAXILKLGNDILA-UNQHYNRVSA-N -1 0 336.516 5.493 1 0 biogenic,in-vitro EKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC(=O)[O-])O2 ZINC000085589186 217679500 /nfs/dbraw/zinc/67/95/00/217679500.db2.gz RXYXCDMLSTZSRY-LRTDBIEQSA-N -1 0 348.483 5.072 1 0 endogenous,in-man EKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC(=O)[O-])O2 ZINC000085589190 571784159 /nfs/dbraw/zinc/78/41/59/571784159.db2.gz RXYXCDMLSTZSRY-YEJXKQKISA-N -1 0 348.483 5.072 1 0 endogenous,in-man EKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CC(=O)[O-] ZINC000095486087 291015071 /nfs/dbraw/zinc/01/50/71/291015071.db2.gz ZPVMUDKNKQSFJZ-QWFCFKBJSA-N -1 0 328.537 5.651 1 0 biogenic,in-vitro EKAFRM Cc1ccc(C)c2c1[nH]c(C(=O)[O-])c2Sc1ccc(Cl)cc1 ZINC000095581192 218440647 /nfs/dbraw/zinc/44/06/47/218440647.db2.gz OGXGPYBYJBXBNS-UHFFFAOYSA-N -1 0 331.824 5.288 1 0 EKAFRM O=C([O-])c1oc2ccccc2c1CCCc1cccc2ccccc21 ZINC000095594138 218444001 /nfs/dbraw/zinc/44/40/01/218444001.db2.gz FJJCJILQICJOAD-UHFFFAOYSA-N -1 0 330.383 5.460 1 0 EKAFRM O=C([O-])c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1 ZINC000095597287 203765338 /nfs/dbraw/zinc/76/53/38/203765338.db2.gz DWPPVJZLZOPAAF-UHFFFAOYSA-N -1 0 345.398 5.031 1 0 EKAFRM CCC[C@@H](C(=O)[O-])c1cnc2ccc(Cl)cc2c1-c1ccccc1 ZINC000096934441 203901732 /nfs/dbraw/zinc/90/17/32/203901732.db2.gz GGNJLKYPASIKJN-OAHLLOKOSA-N -1 0 339.822 5.524 1 0 EKAFRM Cc1ccccc1-c1nnc([N-]c2nc3ccc(Cl)cc3s2)o1 ZINC000098082605 219080792 /nfs/dbraw/zinc/08/07/92/219080792.db2.gz GBOLYRVXBVMQGK-UHFFFAOYSA-N -1 0 342.811 5.052 1 0 EKAFRM CCCCCCC(=O)CC/C=C\C/C=C\C=C\CCCCC(=O)[O-] ZINC000100657146 219103809 /nfs/dbraw/zinc/10/38/09/219103809.db2.gz SFPYNTAVIURSKM-SRLOJJFGSA-N -1 0 334.500 6.493 1 0 EKAFRM O=C([O-])CCCCCCCC[C@@H](O)CCCCCCCCCCO ZINC000100775646 571821082 /nfs/dbraw/zinc/82/10/82/571821082.db2.gz RIIQXYZWFWMFSB-IBGZPJMESA-N -1 0 344.536 5.056 1 0 endogenous,in-man EKAFRM O=c1c2c([n-]n1-c1ccc(Cl)cc1Cl)-c1ccccc1SC2 ZINC000100987177 219112970 /nfs/dbraw/zinc/11/29/70/219112970.db2.gz PINMFIPGUSUDNA-UHFFFAOYSA-N -1 0 349.242 5.157 1 0 EKAFRM O=c1c2c([n-]n1-c1cccc(Cl)c1Cl)-c1ccccc1SC2 ZINC000100988448 219113027 /nfs/dbraw/zinc/11/30/27/219113027.db2.gz JBCNPQWUOHWEIQ-UHFFFAOYSA-N -1 0 349.242 5.157 1 0 EKAFRM O=c1c2c([n-]n1-c1c(Cl)cccc1Cl)-c1ccccc1SC2 ZINC000101340344 219122757 /nfs/dbraw/zinc/12/27/57/219122757.db2.gz MQBUNJZPMWBSQW-UHFFFAOYSA-N -1 0 349.242 5.157 1 0 EKAFRM O=c1c2c([n-]n1-c1ccc(Cl)c(Cl)c1)-c1ccccc1SC2 ZINC000101340370 219122772 /nfs/dbraw/zinc/12/27/72/219122772.db2.gz FATHARPMUZDBRB-UHFFFAOYSA-N -1 0 349.242 5.157 1 0 EKAFRM O=c1c2c([n-]n1-c1cc(Cl)cc(Cl)c1)-c1ccccc1SC2 ZINC000101341430 219123192 /nfs/dbraw/zinc/12/31/92/219123192.db2.gz ZPYQBPTXZLTDBP-UHFFFAOYSA-N -1 0 349.242 5.157 1 0 EKAFRM O=C1CC(=O)CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C1 ZINC000102923617 204055492 /nfs/dbraw/zinc/05/54/92/204055492.db2.gz GMAAZXCNTVDYDQ-UHFFFAOYSA-N -1 0 340.422 5.426 1 0 EKAFRM CCc1ccc2c(c1)C(CC(=O)[O-])=C(C)/C2=C/c1ccc(C(C)C)cc1 ZINC000103090662 219254305 /nfs/dbraw/zinc/25/43/05/219254305.db2.gz MAPVSUDTINMEHV-BKUYFWCQSA-N -1 0 346.470 6.175 1 0 EKAFRM CC1=C(CC(=O)[O-])c2cc(C)ccc2/C1=C\c1ccc(C(C)C)cc1 ZINC000103093484 219254569 /nfs/dbraw/zinc/25/45/69/219254569.db2.gz IAQHDPRNXOKBRU-NDENLUEZSA-N -1 0 332.443 5.921 1 0 EKAFRM CCCCCCc1cc2ccccc2n1C(=O)CC1(CC(=O)[O-])CC1 ZINC000103270834 204069972 /nfs/dbraw/zinc/06/99/72/204069972.db2.gz QWKSDBHHSKTVRG-UHFFFAOYSA-N -1 0 341.451 5.049 1 0 EKAFRM CCCCCCc1cc2ccccc2n1C(=O)CC(C)(C)CC(=O)[O-] ZINC000103270837 219280845 /nfs/dbraw/zinc/28/08/45/219280845.db2.gz XKHYPQSHHZQKBQ-UHFFFAOYSA-N -1 0 343.467 5.295 1 0 EKAFRM CCCCCCc1c(C)c2ccccc2n1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000103270844 204070900 /nfs/dbraw/zinc/07/09/00/204070900.db2.gz IOLXGBRXPNGLCP-OAHLLOKOSA-N -1 0 343.467 5.214 1 0 EKAFRM CCCCCCc1c(C)c2ccccc2n1C(=O)C[C@H](C)CC(=O)[O-] ZINC000103270846 219280374 /nfs/dbraw/zinc/28/03/74/219280374.db2.gz IOLXGBRXPNGLCP-HNNXBMFYSA-N -1 0 343.467 5.214 1 0 EKAFRM O=C([O-])c1cc(-c2ccccc2)nc2cc(Nc3ccccc3)ccc21 ZINC000103292403 219285141 /nfs/dbraw/zinc/28/51/41/219285141.db2.gz KYBMUMRIWSMAMF-UHFFFAOYSA-N -1 0 340.382 5.344 1 0 EKAFRM CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC(=O)[O-] ZINC000150373162 571851431 /nfs/dbraw/zinc/85/14/31/571851431.db2.gz ORMFWDWAJNERRN-UFYCRDLUSA-N -1 0 326.565 6.926 1 0 endogenous,in-man EKAFRM CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCC(=O)[O-] ZINC000150373166 571851444 /nfs/dbraw/zinc/85/14/44/571851444.db2.gz ORMFWDWAJNERRN-ZCNNSNEGSA-N -1 0 326.565 6.926 1 0 endogenous,in-man EKAFRM C/C=C(/C=C/C=C\C=C(C)/C=C1\CCCC(CC)=C1C(C)C)C(=O)[O-] ZINC000169291015 527556577 /nfs/dbraw/zinc/55/65/77/527556577.db2.gz KRRKCGFSBZNROB-VXKNBFTCSA-N -1 0 340.507 6.549 1 0 EKAFRM CCCCC1=C(/C=C/C(C)=C\C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1 ZINC000169292832 528093473 /nfs/dbraw/zinc/09/34/73/528093473.db2.gz QZTGWEZSZARWSX-GFBXCXHASA-N -1 0 342.523 6.773 1 0 EKAFRM CC(C)c1ccc2c(c1)c(S(=O)(=O)[O-])c(C(C)C)cc2C(C)C ZINC000169305366 528155351 /nfs/dbraw/zinc/15/53/51/528155351.db2.gz YYULUYUZVZOOKX-UHFFFAOYSA-N -1 0 334.481 5.457 1 0 EKAFRM Cc1ccc(C)c([C@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000004623576 210233380 /nfs/dbraw/zinc/23/33/80/210233380.db2.gz XEODHVPTWTZTLA-RZYAGWOESA-N -1 0 347.458 5.298 2 0 EKAFRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000004623577 210234304 /nfs/dbraw/zinc/23/43/04/210234304.db2.gz XEODHVPTWTZTLA-HIGPRAAKSA-N -1 0 347.458 5.298 2 0 EKAFRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1 ZINC000004623581 210234220 /nfs/dbraw/zinc/23/42/20/210234220.db2.gz XEODHVPTWTZTLA-YGFBDXETSA-N -1 0 347.458 5.298 2 0 EKAFRM