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)Cc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(CCC(=O)[O-])c2C(=O)C1 ZINC000058583691 205176971 /nfs/dbraw/zinc/17/69/71/205176971.db2.gz CSGJTEYSKUXNMF-ZSOIEALJSA-N -1 0 396.418 3.819 1 0 GHAFRM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CCCO)[C@H](O)C1 ZINC000085492849 291131575 /nfs/dbraw/zinc/13/15/75/291131575.db2.gz ADSNWNLTMACUJU-YMQHIKHWSA-N -1 0 384.557 3.905 1 0 biogenic,in-vitro GHAFRM COc1ccc(-c2ccn(CCC(=O)[O-])c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000068198703 205271608 /nfs/dbraw/zinc/27/16/08/205271608.db2.gz SEPIJZRROUMHPM-UHFFFAOYSA-N -1 0 378.428 3.713 1 0 GHAFRM Cc1nc(C)c(-c2ccc(C34CCC(C(=O)[O-])(CC3)CC4)cc2)nc1C(N)=O ZINC000095571659 205499587 /nfs/dbraw/zinc/49/95/87/205499587.db2.gz NEDBHMQQFZHPAR-UHFFFAOYSA-N -1 0 379.460 3.536 1 0 GHAFRM Cc1c(N2CC[C@H]3CCCC[C@@H]3C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12 ZINC000100917038 136189241 /nfs/dbraw/zinc/18/92/41/136189241.db2.gz UCMPHQKNCVCAMS-HUUCEWRRSA-N -1 0 395.503 3.942 1 0 GHAFRM O=C([O-])c1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 ZINC000101397285 136189687 /nfs/dbraw/zinc/18/96/87/136189687.db2.gz YSIXGBCRSMZYIC-UHFFFAOYSA-N -1 0 393.464 3.977 1 0 GHAFRM O=C([O-])COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 ZINC000064548533 222072396 /nfs/dbraw/zinc/07/23/96/222072396.db2.gz VIBZVAOAQYTQTJ-UHFFFAOYSA-N -1 0 387.391 3.547 1 0 GHAFRM O=c1[nH]c2cc(Cl)c(Cl)cc2cc1[P@@](=O)([O-])OCC1CCCC1 ZINC000013745413 518203169 /nfs/dbraw/zinc/20/31/69/518203169.db2.gz ZYLMNENDBLEFBR-UHFFFAOYSA-N -1 0 376.176 3.852 1 0 GHAFRM CC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770480 571812898 /nfs/dbraw/zinc/81/28/98/571812898.db2.gz ULILMUUUHYDFOW-FDNWMAQMSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\C/C=C\CCC(=O)[O-] ZINC000150373963 571851459 /nfs/dbraw/zinc/85/14/59/571851459.db2.gz ULILMUUUHYDFOW-PLJREPBMSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000085589066 574416698 /nfs/dbraw/zinc/41/66/98/574416698.db2.gz BIHPRUQXOKWQGU-RFCYDMNUSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM COC(=O)[C@@H](Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000027104991 581099612 /nfs/dbraw/zinc/09/96/12/581099612.db2.gz LOVYDWZWMHVHLJ-NRFANRHFSA-N -1 0 394.423 3.714 1 0 GHAFRM CCc1cc(C)nc(O[C@H](C(=O)[O-])C(OC)(c2ccccc2)c2ccccc2)n1 ZINC000013756074 204512068 /nfs/dbraw/zinc/51/20/68/204512068.db2.gz KYDWTWOSIICWFQ-HXUWFJFHSA-N -1 0 392.455 3.770 1 0 GHAFRM O=C([O-])CN1c2ccccc2C(c2ccccc2)=N[C@@H](Cc2ccccc2)C1=O ZINC000027524755 204856397 /nfs/dbraw/zinc/85/63/97/204856397.db2.gz TVOMJEVRCGOQDK-FQEVSTJZSA-N -1 0 384.435 3.567 1 0 GHAFRM CC(C)C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000040956763 205076423 /nfs/dbraw/zinc/07/64/23/205076423.db2.gz IRVQMFFWCSCWMQ-IBGZPJMESA-N -1 0 393.443 3.649 1 0 GHAFRM CCCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000049808301 205130602 /nfs/dbraw/zinc/13/06/02/205130602.db2.gz USZCECBAQAQMSU-WIYYLYMNSA-N -1 0 378.428 3.601 1 0 GHAFRM O=C([O-])Cc1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 ZINC000073167565 205354950 /nfs/dbraw/zinc/35/49/50/205354950.db2.gz VDPSKZGMCOYSSZ-INIZCTEOSA-N -1 0 382.807 3.706 1 0 GHAFRM CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCC(=O)[O-] ZINC000085588925 574416684 /nfs/dbraw/zinc/41/66/84/574416684.db2.gz BCQOUZGZSCCQCM-VDVZIBEUSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])c1cccc(Oc2ccc(N(Cc3c[nH]cn3)Cc3c[nH]cn3)cc2)c1 ZINC000026991389 581102048 /nfs/dbraw/zinc/10/20/48/581102048.db2.gz VYTOVOSIUOHHGV-UHFFFAOYSA-N -1 0 389.415 3.830 1 0 GHAFRM CCOc1ccc(N(CC)C(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1 ZINC000004192566 204031213 /nfs/dbraw/zinc/03/12/13/204031213.db2.gz DJUOORJXLQBZHM-UHFFFAOYSA-N -1 0 380.444 3.871 3 0 GHAFRM O=S(=O)([N-]c1nc(-c2ccccc2)nn1Cc1ccccc1)c1ccccc1 ZINC000013536787 204494039 /nfs/dbraw/zinc/49/40/39/204494039.db2.gz KYRCFGCGHCJWNS-UHFFFAOYSA-N -1 0 390.468 3.794 1 0 GHAFRM COc1cc(C(=O)c2c(OCC(=O)[O-])ccc3ccccc32)cc(OC)c1OC ZINC000034802594 204976786 /nfs/dbraw/zinc/97/67/86/204976786.db2.gz GKSMDAOMTBHTCV-UHFFFAOYSA-N -1 0 396.395 3.560 1 0 GHAFRM COC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2O)c(C)c1 ZINC000040406595 205064532 /nfs/dbraw/zinc/06/45/32/205064532.db2.gz BSHIXXSESCYHQK-MRXNPFEDSA-N -1 0 389.835 3.824 1 0 GHAFRM O=C([O-])c1cccc(OC[C@@H]2C=C(c3ccc(Br)cc3)C(=O)O2)c1 ZINC000045364472 205095865 /nfs/dbraw/zinc/09/58/65/205095865.db2.gz OTGYZBBHACPIKT-HNNXBMFYSA-N -1 0 389.201 3.535 1 0 GHAFRM COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2O)c1C ZINC000040893725 205074714 /nfs/dbraw/zinc/07/47/14/205074714.db2.gz JZVUOYSFDSGCRJ-INIZCTEOSA-N -1 0 389.835 3.824 1 0 GHAFRM COc1ccc2c(c1)c(CC(=O)[O-])cn2C(=O)c1cccc(C(F)(F)F)c1 ZINC000095582615 205501704 /nfs/dbraw/zinc/50/17/04/205501704.db2.gz UKLGRXCWQMTXQC-UHFFFAOYSA-N -1 0 377.318 3.984 1 0 GHAFRM O=C([O-])c1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 ZINC000101422882 136189773 /nfs/dbraw/zinc/18/97/73/136189773.db2.gz WUTAVHBBYWZEDL-UHFFFAOYSA-N -1 0 393.464 3.977 1 0 GHAFRM CC1(C)SC[C@@H](CCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)[O-])C3)S1 ZINC000043012486 221945175 /nfs/dbraw/zinc/94/51/75/221945175.db2.gz HEZDUVOOOSBRGR-CABCVRRESA-N -1 0 381.519 3.516 1 0 GHAFRM COc1c(C)occ(-c2c([O-])cc3oc(-c4ccccc4)cc(=O)c3c2[O-])c1=O ZINC000095486323 291132403 /nfs/dbraw/zinc/13/24/03/291132403.db2.gz CHCLBDPODTUKLK-UHFFFAOYSA-N -1 0 392.363 3.808 1 0 biogenic,in-vitro GHAFRM O=C([O-])c1cn(CCO)c2ccc(Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000040391881 205062585 /nfs/dbraw/zinc/06/25/85/205062585.db2.gz NLGQHMUAHAFRFL-UHFFFAOYSA-N -1 0 392.238 3.590 1 0 GHAFRM O=C([O-])C1=C(NC(=O)CCc2noc3c2ccc2cc(O)ccc32)CCCC1 ZINC000040412639 205065564 /nfs/dbraw/zinc/06/55/64/205065564.db2.gz SLYOQCRZPLOCRQ-UHFFFAOYSA-N -1 0 380.400 3.648 1 0 GHAFRM O=C([O-])c1cccc2oc(-c3cccc(O)c3NC(=O)c3ccccc3O)nc21 ZINC000040874438 205074329 /nfs/dbraw/zinc/07/43/29/205074329.db2.gz WFSYNTNVXAAPDD-UHFFFAOYSA-N -1 0 390.351 3.857 1 0 GHAFRM COc1cc([C@@H]2NC(=S)N=C(c3ccc(C)cc3)C2CCC(=O)[O-])ccc1O ZINC000058494258 205176838 /nfs/dbraw/zinc/17/68/38/205176838.db2.gz YSNRGVVNRGEIGQ-FQEVSTJZSA-N -1 0 398.484 3.504 1 0 GHAFRM Cc1c(CC(=O)[O-])c2ccsc2n1Cc1ccc(S(C)(=O)=O)cc1Cl ZINC000066078132 205240404 /nfs/dbraw/zinc/24/04/04/205240404.db2.gz JLTOBJCKUQTVPT-UHFFFAOYSA-N -1 0 397.905 3.744 1 0 GHAFRM CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@H]1C[C@@H](C(=O)[O-])C2 ZINC000101095738 205617096 /nfs/dbraw/zinc/61/70/96/205617096.db2.gz MGYATIZKIVDSGV-BNFBLXTJSA-N -1 0 379.884 3.893 1 0 GHAFRM CC/C=C\C/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)CCC(=O)[O-] ZINC000100770509 571813068 /nfs/dbraw/zinc/81/30/68/571813068.db2.gz IDXBOXWUWDDSSX-GYALWBLBSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000004660596 204060872 /nfs/dbraw/zinc/06/08/72/204060872.db2.gz YOYUKTQWWOQSIC-MUUNZHRXSA-N -1 0 395.411 3.851 1 0 GHAFRM COC[C@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000028642398 204878549 /nfs/dbraw/zinc/87/85/49/204878549.db2.gz LVCHSTCJUAYHML-UAGQMJEPSA-N -1 0 379.884 3.610 1 0 GHAFRM O=C([O-])c1cccc2oc(-c3cccc(O)c3NC(=O)c3ncccc3F)nc21 ZINC000040395548 205064594 /nfs/dbraw/zinc/06/45/94/205064594.db2.gz ITQQKVPQACKICU-UHFFFAOYSA-N -1 0 393.330 3.685 1 0 GHAFRM Nc1ccccc1C(=O)Nc1cc(Br)c([O-])c(Br)c1 ZINC000040828776 205072364 /nfs/dbraw/zinc/07/23/64/205072364.db2.gz SBAAVNKMFQEKKJ-UHFFFAOYSA-N -1 0 386.043 3.752 1 0 GHAFRM CC(C)[C@]1(c2cc(Cl)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)[N-]C1=O ZINC000071341860 205283666 /nfs/dbraw/zinc/28/36/66/205283666.db2.gz XOGLUALLZWNNSG-OAQYLSRUSA-N -1 0 396.830 3.966 1 0 GHAFRM Cc1ccc(C(=O)Nc2ccc(-c3nnc(S[C@@H](C)C(=O)[O-])n3C)cc2)cc1 ZINC000073195749 205355443 /nfs/dbraw/zinc/35/54/43/205355443.db2.gz UQXUOPDOOLWWND-ZDUSSCGKSA-N -1 0 396.472 3.608 1 0 GHAFRM COc1cc2c(cc1OC)C(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2 ZINC000084604970 205395358 /nfs/dbraw/zinc/39/53/58/205395358.db2.gz VARKBSSQYLZCJS-AWEZNQCLSA-N -1 0 379.334 3.677 1 0 GHAFRM COc1ccc(Oc2c(C(=O)[O-])cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000095557898 205497262 /nfs/dbraw/zinc/49/72/62/205497262.db2.gz AFWJICHNVBXWKE-UHFFFAOYSA-N -1 0 380.400 3.855 1 0 GHAFRM Cc1c2c(cc(N(C)C)c1N1CCC(C)CC1)c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000100918139 136189307 /nfs/dbraw/zinc/18/93/07/136189307.db2.gz FTPXHDDFPJVUFY-UHFFFAOYSA-N -1 0 383.492 3.645 1 0 GHAFRM CC(=O)OC[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@]3(C[C@H]4CO)CC[C@H]12 ZINC000070455265 291130169 /nfs/dbraw/zinc/13/01/69/291130169.db2.gz DZEHIJAJXCHJAY-UORBNBSKSA-N -1 0 378.509 3.636 1 0 biogenic,in-vitro GHAFRM O=C([O-])c1ccc([C@H]2CC(=O)c3c(=O)c4cc(Cl)ccc4n(O)c3C2)cc1 ZINC000027087409 204853452 /nfs/dbraw/zinc/85/34/52/204853452.db2.gz GDPSZFAWHQEUGG-GFCCVEGCSA-N -1 0 383.787 3.503 1 0 GHAFRM O=C([O-])CCCCCCN1C(=O)CC[C@H]1CC[C@@H](O)CCc1ccccc1 ZINC000040565285 205067068 /nfs/dbraw/zinc/06/70/68/205067068.db2.gz ZGLFHZRPCUXQIP-UXHICEINSA-N -1 0 375.509 3.786 1 0 GHAFRM COC(=O)c1ccc(C)c([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2O)c1 ZINC000040898804 205074088 /nfs/dbraw/zinc/07/40/88/205074088.db2.gz ZAOOCMXXGQFBQR-MRXNPFEDSA-N -1 0 389.835 3.824 1 0 GHAFRM O=C([O-])CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049070141 205124930 /nfs/dbraw/zinc/12/49/30/205124930.db2.gz WYCKWPROPZHYJY-LBPRGKRZSA-N -1 0 387.263 3.568 1 0 GHAFRM COCC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000072172307 205317763 /nfs/dbraw/zinc/31/77/63/205317763.db2.gz BBPCWVWFLOJZKI-HXUWFJFHSA-N -1 0 392.455 3.558 1 0 GHAFRM O=C([O-])c1cccc(-n2cc(-c3cc4cccc(O)c4oc3=O)[nH]c2=S)c1 ZINC000082154781 205389681 /nfs/dbraw/zinc/38/96/81/205389681.db2.gz AAXDSXQOIOVALR-UHFFFAOYSA-N -1 0 380.381 3.712 1 0 GHAFRM O=C([O-])CSCC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000084635979 205397602 /nfs/dbraw/zinc/39/76/02/205397602.db2.gz JKQCAQGQOZOEGL-UHFFFAOYSA-N -1 0 376.381 3.585 1 0 GHAFRM O=C([O-])c1ccc(CN2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000066102828 222138000 /nfs/dbraw/zinc/13/80/00/222138000.db2.gz ZPVWVZMIDHYDQP-JOCHJYFZSA-N -1 0 393.826 3.888 1 0 GHAFRM COc1cc(-c2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O ZINC000005430808 560110519 /nfs/dbraw/zinc/11/05/19/560110519.db2.gz UXTFKMCFQVSJLL-UHFFFAOYSA-N -1 0 384.384 3.800 1 0 endogenous,in-man GHAFRM CC/C=C\C/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)CCC(=O)[O-] ZINC000150373205 571851418 /nfs/dbraw/zinc/85/14/18/571851418.db2.gz IDXBOXWUWDDSSX-ZWYGTWPWSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C/CCCC(=O)[O-] ZINC000005510280 204137464 /nfs/dbraw/zinc/13/74/64/204137464.db2.gz QAOBBBBDJSWHMU-KYNDHGKNSA-N -1 0 380.525 3.887 1 0 in-vitro GHAFRM CCc1cc(C)nc(O[C@@H](C(=O)[O-])C(OC)(c2ccccc2)c2ccccc2)n1 ZINC000013756073 204512577 /nfs/dbraw/zinc/51/25/77/204512577.db2.gz KYDWTWOSIICWFQ-FQEVSTJZSA-N -1 0 392.455 3.770 1 0 GHAFRM O=C([O-])Cc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000029338682 204889515 /nfs/dbraw/zinc/88/95/15/204889515.db2.gz DCWHYZCVSDAFKH-UHFFFAOYSA-N -1 0 381.794 3.914 1 0 GHAFRM CC(C)c1c(=O)n([O-])c(=O)n(CCCc2ccc(F)cc2)c1Cc1ccccc1 ZINC000071318498 205280953 /nfs/dbraw/zinc/28/09/53/205280953.db2.gz SEFURGDSFUQZOB-UHFFFAOYSA-N -1 0 396.462 3.733 1 0 GHAFRM CC/C=C\C/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770469 571812962 /nfs/dbraw/zinc/81/29/62/571812962.db2.gz BCQOUZGZSCCQCM-UEFVJNESSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C1C=C([O-])C=C2OC(c3ccc(O)c(Cc4cccc(O)c4)c3)C(=O)C(O)=C12 ZINC000085569474 291134626 /nfs/dbraw/zinc/13/46/26/291134626.db2.gz UKXPWYRYIBWWEM-UHFFFAOYSA-N -1 0 392.363 3.579 1 0 biogenic,in-vitro GHAFRM O=C([O-])c1cncn1Cc1cc(Br)ccc1OCc1ccccc1 ZINC000040567013 205066737 /nfs/dbraw/zinc/06/67/37/205066737.db2.gz JMZRTWKYYHKYBJ-UHFFFAOYSA-N -1 0 387.233 3.971 1 0 GHAFRM O=C([O-])c1cn(Cc2ccc(-c3ccnc(Cl)c3)cn2)c2ccsc2c1=O ZINC000049072102 205125073 /nfs/dbraw/zinc/12/50/73/205125073.db2.gz BZOZCYUAJYUGMM-UHFFFAOYSA-N -1 0 397.843 3.920 1 0 GHAFRM Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)[O-])cc3Cl)cc2)nc1C(N)=O ZINC000068247811 205272259 /nfs/dbraw/zinc/27/22/59/205272259.db2.gz ZOIJRDLLYFIAHJ-UHFFFAOYSA-N -1 0 395.846 3.807 1 0 GHAFRM CC(=O)Oc1ccc2c(c1)C(C)(C)Oc1cc3oc(C(=O)[O-])cc(=O)c3cc1-2 ZINC000169316369 205826947 /nfs/dbraw/zinc/82/69/47/205826947.db2.gz YUWYXNQXWRTOKI-UHFFFAOYSA-N -1 0 380.352 3.711 1 0 GHAFRM CC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770494 571812929 /nfs/dbraw/zinc/81/29/29/571812929.db2.gz BIHPRUQXOKWQGU-WPRVMJQQSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000100770529 571812987 /nfs/dbraw/zinc/81/29/87/571812987.db2.gz MBWYKQQOOVDDJT-BHBNLNRTSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCC(=O)[O-] ZINC000100770503 571813051 /nfs/dbraw/zinc/81/30/51/571813051.db2.gz IDXBOXWUWDDSSX-YDLQHRLWSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CCc1ccc2c(c1)C[C@H](C(=O)[O-])N2C(=O)[C@H](C)CSC(=O)c1ccccc1 ZINC000027319731 581091611 /nfs/dbraw/zinc/09/16/11/581091611.db2.gz GNDZHYWVELXVFR-AUUYWEPGSA-N -1 0 397.496 3.801 1 0 GHAFRM COc1c(-c2ccncc2)c(F)cc2c(=O)c3c([O-])nsc3n(C3CC3)c21 ZINC000035090257 204983675 /nfs/dbraw/zinc/98/36/75/204983675.db2.gz OBCFUXBVUMCQEP-UHFFFAOYSA-N -1 0 383.404 3.861 1 0 GHAFRM O=C([O-])c1cn(Cc2cccc(OC(F)(F)F)c2)c2c(F)ccc(F)c2c1=O ZINC000045352767 205096333 /nfs/dbraw/zinc/09/63/33/205096333.db2.gz RZXAIYPKCSRVOI-UHFFFAOYSA-N -1 0 399.271 3.925 1 0 GHAFRM O=C([O-])Cc1nnc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000073167540 205356082 /nfs/dbraw/zinc/35/60/82/205356082.db2.gz CVVCWEYROGOFNE-MRXNPFEDSA-N -1 0 382.807 3.706 1 0 GHAFRM O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Br)c1)O3 ZINC000096269851 205554898 /nfs/dbraw/zinc/55/48/98/205554898.db2.gz HHYQZGIHLQZUAH-PIGZYNQJSA-N -1 0 391.217 3.912 1 0 GHAFRM O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)C[C@@H](C(=O)[O-])OC2 ZINC000043018992 221946230 /nfs/dbraw/zinc/94/62/30/221946230.db2.gz QOIRWYZTUNVKHT-SJORKVTESA-N -1 0 395.546 3.908 1 0 GHAFRM CC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770479 571812992 /nfs/dbraw/zinc/81/29/92/571812992.db2.gz ULILMUUUHYDFOW-MZXAROBUSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])c1ncccc1SC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000169323711 203788739 /nfs/dbraw/zinc/78/87/39/203788739.db2.gz QJKKISJEOKLXPQ-UHFFFAOYSA-N -1 0 378.409 3.965 1 0 GHAFRM Cc1cccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@H]2C(=O)[O-])c1C ZINC000004992330 204101045 /nfs/dbraw/zinc/10/10/45/204101045.db2.gz XAESQUJABIWECC-JKSUJKDBSA-N -1 0 380.227 3.858 3 0 GHAFRM O=C([O-])CN1C(=O)S/C(=C\c2ccc3ccccc3c2Br)C1=O ZINC000013782024 204513004 /nfs/dbraw/zinc/51/30/04/204513004.db2.gz YJLGAPRLSFMKPS-GHXNOFRVSA-N -1 0 392.230 3.723 1 0 GHAFRM C[C@@H](NC(=O)[C@H](CSC(=O)c1ccccc1)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000029556898 204890881 /nfs/dbraw/zinc/89/08/81/204890881.db2.gz GKYIONYOYVKKQI-HDMKZQKVSA-N -1 0 385.485 3.569 1 0 GHAFRM O=C([O-])c1ccc(OC[C@H]2C=C(c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000045356583 205095953 /nfs/dbraw/zinc/09/59/53/205095953.db2.gz UDKKAOFEXBMRBH-OAHLLOKOSA-N -1 0 389.201 3.535 1 0 GHAFRM COc1cc(C(=O)c2csc(-c3ccc(C(=O)[O-])cc3)n2)cc(OC)c1OC ZINC000040897384 205073896 /nfs/dbraw/zinc/07/38/96/205073896.db2.gz FWKGRJGDTKKGLG-UHFFFAOYSA-N -1 0 399.424 3.765 1 0 GHAFRM Cc1c([C@H]2c3ccccc3S(=O)(=O)N2C(C)C)c2ccccc2n1CC(=O)[O-] ZINC000049112316 205127042 /nfs/dbraw/zinc/12/70/42/205127042.db2.gz MOGHOFHTUCEXJL-OAQYLSRUSA-N -1 0 398.484 3.536 1 0 GHAFRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000004884232 204086855 /nfs/dbraw/zinc/08/68/55/204086855.db2.gz UIAPFQCANLSPBX-UHFFFAOYSA-N -1 0 398.488 3.696 1 0 GHAFRM CS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588868 204497044 /nfs/dbraw/zinc/49/70/44/204497044.db2.gz YXTWRQKSTQIJDL-UHFFFAOYSA-N -1 0 397.283 3.686 1 0 GHAFRM CN1CC[C@@H](c2c(=O)cc([O-])c3c(O)cc(-c4ccccc4Cl)oc2-3)C(=O)C1 ZINC000052956092 205134553 /nfs/dbraw/zinc/13/45/53/205134553.db2.gz KAKUQWQNTPPBAA-GFCCVEGCSA-N -1 0 399.830 3.513 1 0 GHAFRM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2-c2ccco2)NC(=O)CO3)cc1C ZINC000064593833 205191486 /nfs/dbraw/zinc/19/14/86/205191486.db2.gz HARGREACLDYXMO-UHFFFAOYSA-N -1 0 398.440 3.695 1 0 GHAFRM CC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770492 571813027 /nfs/dbraw/zinc/81/30/27/571813027.db2.gz BIHPRUQXOKWQGU-SQLZXENJSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)C(F)(F)c1ccccc1 ZINC000038447210 205035795 /nfs/dbraw/zinc/03/57/95/205035795.db2.gz HWLGHEIVNKULQQ-SLKVGHROSA-N -1 0 395.446 3.722 1 0 GHAFRM COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CC(=O)[O-])cc2)cc1 ZINC000045285873 205094538 /nfs/dbraw/zinc/09/45/38/205094538.db2.gz FIPYOKGRSDJCAR-UHFFFAOYSA-N -1 0 382.437 3.822 1 0 GHAFRM COC(=O)c1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2O)c1 ZINC000040898802 205074289 /nfs/dbraw/zinc/07/42/89/205074289.db2.gz ZAOOCMXXGQFBQR-INIZCTEOSA-N -1 0 389.835 3.824 1 0 GHAFRM C[C@@]1(c2ccccc2)Cc2cc(OCc3nnn[n-]3)c(Cl)c(Cl)c2C1=O ZINC000060265966 205180358 /nfs/dbraw/zinc/18/03/58/205180358.db2.gz SNALGOAYJQTRJN-SFHVURJKSA-N -1 0 389.242 3.782 1 0 GHAFRM O=C(c1ccccc1)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000066251420 205241619 /nfs/dbraw/zinc/24/16/19/205241619.db2.gz RHYFXBNIODUANL-UHFFFAOYSA-N -1 0 378.409 3.639 1 0 GHAFRM CCCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(C)(=O)=O ZINC000095577165 205501420 /nfs/dbraw/zinc/50/14/20/205501420.db2.gz MWWZXPUSIUYFHL-GFCCVEGCSA-N -1 0 392.955 3.676 1 0 GHAFRM COC(=O)c1c(O)cccc1OCCCc1cccc(-c2cc(C(=O)[O-])no2)c1 ZINC000028396449 204874965 /nfs/dbraw/zinc/87/49/65/204874965.db2.gz QCMLXBZFQAPCSI-UHFFFAOYSA-N -1 0 397.383 3.544 1 0 GHAFRM CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770483 571812972 /nfs/dbraw/zinc/81/29/72/571812972.db2.gz ULILMUUUHYDFOW-RNSKRYBQSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000004660593 204060224 /nfs/dbraw/zinc/06/02/24/204060224.db2.gz YOYUKTQWWOQSIC-NDEPHWFRSA-N -1 0 395.411 3.851 1 0 GHAFRM CCCC(=O)N(Cc1ccc(C(=O)[O-])cc1OC)c1ccc(C(C)=O)c(O)c1 ZINC000027895441 204862659 /nfs/dbraw/zinc/86/26/59/204862659.db2.gz CCOOYELXXXOLLI-UHFFFAOYSA-N -1 0 385.416 3.635 1 0 GHAFRM CC(=O)N[C@@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000038933918 205039816 /nfs/dbraw/zinc/03/98/16/205039816.db2.gz IYLQGLUEJRYCME-QGZVFWFLSA-N -1 0 377.333 3.665 1 0 GHAFRM COc1ccc(C(C)=O)cc1CSc1nc2cc(F)ccc2n1CC(=O)[O-] ZINC000038238856 205036086 /nfs/dbraw/zinc/03/60/86/205036086.db2.gz YMSMSUFAXNUPLK-UHFFFAOYSA-N -1 0 388.420 3.764 1 0 GHAFRM COc1ccc(-c2nnc(SCC(=O)[O-])n2-c2cccc(Cl)c2)cc1 ZINC000096273176 205554358 /nfs/dbraw/zinc/55/43/58/205554358.db2.gz VMUUOPHYAHJBJS-UHFFFAOYSA-N -1 0 375.837 3.773 1 0 GHAFRM CC1(C)SC[C@H](CCC(=O)Nc2ccc3c(c2)C[C@@H](C(=O)[O-])OC3)S1 ZINC000043018062 221947286 /nfs/dbraw/zinc/94/72/86/221947286.db2.gz BBPBZPASZSZJRI-GJZGRUSLSA-N -1 0 381.519 3.516 1 0 GHAFRM O=C([O-])c1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000066102826 222138114 /nfs/dbraw/zinc/13/81/14/222138114.db2.gz ZPVWVZMIDHYDQP-QFIPXVFZSA-N -1 0 393.826 3.888 1 0 GHAFRM O=C([O-])c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1Cl ZINC000003354862 204001599 /nfs/dbraw/zinc/00/15/99/204001599.db2.gz BRISCFLSNXTYAQ-UHFFFAOYSA-N -1 0 383.835 3.728 3 0 GHAFRM Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C(=O)[O-])cc1)C(=O)CC2 ZINC000013734626 204509850 /nfs/dbraw/zinc/50/98/50/204509850.db2.gz PRICAOAQZFEXTG-UHFFFAOYSA-N -1 0 387.439 3.938 1 0 GHAFRM CSc1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@H]2C(=O)[O-] ZINC000028222595 204869773 /nfs/dbraw/zinc/86/97/73/204869773.db2.gz QFRLBYJLMVDPIU-LLVKDONJSA-N -1 0 380.263 3.775 1 0 GHAFRM Nc1c(F)c(NCCc2ccccc2)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000072126909 205306833 /nfs/dbraw/zinc/30/68/33/205306833.db2.gz ZOKYLRYNFLLZQF-UHFFFAOYSA-N -1 0 399.397 3.550 1 0 GHAFRM CCCC1([C@@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)[O-])CCC1 ZINC000169315250 205826087 /nfs/dbraw/zinc/82/60/87/205826087.db2.gz ZPAHSYUGXJZJIX-VXECPTQKSA-N -1 0 378.509 3.641 1 0 GHAFRM O=C([O-])c1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)cc1 ZINC000101073617 136189409 /nfs/dbraw/zinc/18/94/09/136189409.db2.gz SKDIZDVXYMXSKX-UHFFFAOYSA-N -1 0 393.464 3.977 1 0 GHAFRM COCc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)cc(C)n1 ZINC000000586493 206307683 /nfs/dbraw/zinc/30/76/83/206307683.db2.gz MXDBWFGZRRUSHD-UHFFFAOYSA-N -1 0 382.391 3.691 1 0 GHAFRM CCn1c(SCC(=O)[O-])nnc1-c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000000905258 206333281 /nfs/dbraw/zinc/33/32/81/206333281.db2.gz LMIMOUBXTPTFFT-UHFFFAOYSA-N -1 0 399.501 3.851 3 0 GHAFRM Cc1cccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@H]2C(=O)[O-])c1C ZINC000004992328 206581141 /nfs/dbraw/zinc/58/11/41/206581141.db2.gz XAESQUJABIWECC-HOTGVXAUSA-N -1 0 380.227 3.858 3 0 GHAFRM COc1ccc2c(ccc(OC)c2C(F)(F)F)c1C(=S)N(C)CC(=O)[O-] ZINC000013823530 207001615 /nfs/dbraw/zinc/00/16/15/207001615.db2.gz RBFQDUNKPQVART-UHFFFAOYSA-N -1 0 387.379 3.568 1 0 GHAFRM CC1(C)C[C@H]([N-]S(=O)(=O)C(F)(F)F)c2cc(OC(F)(F)F)ccc2O1 ZINC000027869272 207332256 /nfs/dbraw/zinc/33/22/56/207332256.db2.gz VUNCXHJSZCMEAC-VIFPVBQESA-N -1 0 393.305 3.627 1 0 GHAFRM CCc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)[O-])cc1 ZINC000095573330 208234123 /nfs/dbraw/zinc/23/41/23/208234123.db2.gz RZPNNMRUEBKYAY-UHFFFAOYSA-N -1 0 393.487 3.687 1 0 GHAFRM O=C([O-])c1ccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101169326 208388090 /nfs/dbraw/zinc/38/80/90/208388090.db2.gz PDGVSIPVKVNGRR-CQSZACIVSA-N -1 0 395.358 3.828 1 0 GHAFRM CCCC(=O)Oc1c(OC)cc(=O)c2c([O-])c(OC)c(-c3ccccc3)oc1-2 ZINC000014757318 206295852 /nfs/dbraw/zinc/29/58/52/206295852.db2.gz YJSTXVOTUMVWLV-UHFFFAOYSA-N -1 0 384.384 3.888 1 0 GHAFRM Nc1cccc(-c2ccc(S(=O)(=O)[N-]c3ccnn3-c3ccccc3)cc2)c1 ZINC000013864517 207002068 /nfs/dbraw/zinc/00/20/68/207002068.db2.gz HFOVGZDAQJHROY-UHFFFAOYSA-N -1 0 390.468 3.922 1 0 GHAFRM COc1ccc([C@@H]2c3ncccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])cc1 ZINC000013837899 207002965 /nfs/dbraw/zinc/00/29/65/207002965.db2.gz AIJJGHXRGHAKEG-PCCBWWKXSA-N -1 0 389.407 3.797 1 0 GHAFRM CCCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026572955 207315889 /nfs/dbraw/zinc/31/58/89/207315889.db2.gz XIVYDWZXBSEYEY-DNVCBOLYSA-N -1 0 399.512 3.914 1 0 GHAFRM COCC[C@@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000028641341 207347065 /nfs/dbraw/zinc/34/70/65/207347065.db2.gz FEONGSYVTTZFNY-JQHSSLGASA-N -1 0 393.911 4.000 1 0 GHAFRM COc1ccc(-c2nc(S(=O)(=O)C(C)C)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000028218724 207336352 /nfs/dbraw/zinc/33/63/52/207336352.db2.gz AQDKFEICQQMCOU-UHFFFAOYSA-N -1 0 386.473 3.943 1 0 GHAFRM O=C([O-])CN1Cc2cc3c(cc21)ncnc3Nc1cccc(Br)c1 ZINC000040422938 207599475 /nfs/dbraw/zinc/59/94/75/207599475.db2.gz QPLCRUVASBMTBI-UHFFFAOYSA-N -1 0 385.221 3.541 1 0 GHAFRM C[S@](=O)C[C@@H]1C(=O)[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000040568533 207603762 /nfs/dbraw/zinc/60/37/62/207603762.db2.gz AIBDKGIQIACSAB-HBBPQEBPSA-N -1 0 380.550 3.658 1 0 GHAFRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)CCC(=O)[O-] ZINC000061946507 207792534 /nfs/dbraw/zinc/79/25/34/207792534.db2.gz RRBVEUCCKOTWJM-BOPJXXHASA-N -1 0 389.536 3.660 1 0 GHAFRM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000102850350 208714375 /nfs/dbraw/zinc/71/43/75/208714375.db2.gz OFBJGKJMVMTULR-ZIBATOQPSA-N -1 0 392.912 3.657 1 0 GHAFRM CC(=O)[C@@H](CCCCCCC(=O)[O-])CCC[C@H](O)COc1ccccc1O ZINC000169316951 208730032 /nfs/dbraw/zinc/73/00/32/208730032.db2.gz ZOZNIKCSOXQVPH-ROUUACIJSA-N -1 0 380.481 3.933 1 0 GHAFRM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627498 206309668 /nfs/dbraw/zinc/30/96/68/206309668.db2.gz LUYOGBJYMJKPGR-HZPDHXFCSA-N -1 0 384.407 3.908 3 0 GHAFRM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000627546 206310023 /nfs/dbraw/zinc/31/00/23/206310023.db2.gz HXZVYBCGAXGJOI-IRXDYDNUSA-N -1 0 396.443 3.777 3 0 GHAFRM CC(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026752923 207318907 /nfs/dbraw/zinc/31/89/07/207318907.db2.gz HFIHSHWOSGBLEQ-VPBDITOFSA-N -1 0 388.410 3.929 1 0 GHAFRM Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc(C(=O)[O-])cc2)cc1 ZINC000084604381 208094497 /nfs/dbraw/zinc/09/44/97/208094497.db2.gz NDJUJTIXCGTCLG-UHFFFAOYSA-N -1 0 395.436 3.729 1 0 GHAFRM O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1ccc(Br)cc1)O3 ZINC000096269849 208300851 /nfs/dbraw/zinc/30/08/51/208300851.db2.gz XZRHZZLJBFCOFQ-DIFFPNOSSA-N -1 0 391.217 3.912 1 0 GHAFRM CC(=O)O[C@@H]1C[C@]2(C)CC[C@]3(C(=O)[O-])[C@@H](C(C)C)CC[C@H]3[C@@H]2C=C[C@]1(C)O ZINC000032296698 291130618 /nfs/dbraw/zinc/13/06/18/291130618.db2.gz JJIIOGRIIJVYAS-ZELOLHMESA-N -1 0 378.509 3.799 1 0 biogenic,in-vitro GHAFRM CC(C)S(=O)(=O)c1c([O-])n(Cc2ccccc2)c(=O)c2ccc(Cl)cc21 ZINC000000602249 206307895 /nfs/dbraw/zinc/30/78/95/206307895.db2.gz AACXOSPRTYPFDW-UHFFFAOYSA-N -1 0 391.876 3.591 1 0 GHAFRM CC1(C)C[C@H](NC(=O)[N-]S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000013608390 206984509 /nfs/dbraw/zinc/98/45/09/206984509.db2.gz KZQQTOYEBXOZHE-HNNXBMFYSA-N -1 0 394.880 3.630 1 0 GHAFRM COc1ccc(-c2cc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)cn1 ZINC000028571955 207345643 /nfs/dbraw/zinc/34/56/43/207345643.db2.gz WHEVUBHJWLRKRR-UHFFFAOYSA-N -1 0 383.404 3.861 1 0 GHAFRM O=C([O-])c1cc(-c2cncc3ccccc32)nc2c1cnn2Cc1ccncc1 ZINC000095582719 208235783 /nfs/dbraw/zinc/23/57/83/208235783.db2.gz GMTXSHJSYGMEGK-UHFFFAOYSA-N -1 0 381.395 3.788 1 0 GHAFRM CC(=O)O[C@@H]1C[C@@]23C[C@]1(C)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1C[C@@H]3O ZINC000095589157 208237421 /nfs/dbraw/zinc/23/74/21/208237421.db2.gz MSLCEMYYLUMFEP-ILFRUASBSA-N -1 0 378.509 3.777 1 0 GHAFRM CCCCCc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[n-]2)CO3)cc1 ZINC000027998751 207333123 /nfs/dbraw/zinc/33/31/23/207333123.db2.gz AGWKNSFJPIXMMS-SFHVURJKSA-N -1 0 393.447 3.697 1 0 GHAFRM O=C([O-])CCCc1nc2ncnc-2c2nc(-c3ccc(-c4ccccc4)cc3)[nH]n21 ZINC000027211488 207324312 /nfs/dbraw/zinc/32/43/12/207324312.db2.gz OYQOWKWBEOPZQB-UHFFFAOYSA-N -1 0 398.426 3.742 1 0 GHAFRM O=C([O-])c1ccc2c(c1)C[C@@H](CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000027326782 207324658 /nfs/dbraw/zinc/32/46/58/207324658.db2.gz PLWKKGQYDYRBJW-ZDUSSCGKSA-N -1 0 393.892 3.512 1 0 GHAFRM O=C([O-])CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049070138 207707449 /nfs/dbraw/zinc/70/74/49/207707449.db2.gz WYCKWPROPZHYJY-GFCCVEGCSA-N -1 0 387.263 3.568 1 0 GHAFRM Cc1ccccc1C(=O)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000066262722 207879733 /nfs/dbraw/zinc/87/97/33/207879733.db2.gz LHFFTMYAIUOLRI-UHFFFAOYSA-N -1 0 392.436 3.947 1 0 GHAFRM CC(=O)N[C@H](CS/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl)C(=O)[O-] ZINC000084849165 208100391 /nfs/dbraw/zinc/10/03/91/208100391.db2.gz HMFZXPFVUQXTHQ-IIEMQYHFSA-N -1 0 387.499 3.841 1 0 GHAFRM CCCS(=O)(=O)c1ccc2nc(-c3cccn(-c4ccccc4)c3=O)[n-]c2c1 ZINC000084672171 208095036 /nfs/dbraw/zinc/09/50/36/208095036.db2.gz GYVATJJJUOEXJN-UHFFFAOYSA-N -1 0 393.468 3.565 1 0 GHAFRM CC/C=C\C/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)CCC(=O)[O-] ZINC000100770506 571812885 /nfs/dbraw/zinc/81/28/85/571812885.db2.gz IDXBOXWUWDDSSX-JNQRMAMISA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770477 571812902 /nfs/dbraw/zinc/81/29/02/571812902.db2.gz BCQOUZGZSCCQCM-OXNSDHFZSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC(=O)N[C@@H](CSc1c(Cl)c(Cl)cc(Cl)c1Cl)C(=O)[O-] ZINC000005160377 206293365 /nfs/dbraw/zinc/29/33/65/206293365.db2.gz IHMPHNNJNNVWRA-ZETCQYMHSA-N -1 0 377.076 3.982 1 0 GHAFRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627503 206309124 /nfs/dbraw/zinc/30/91/24/206309124.db2.gz LUYOGBJYMJKPGR-CVEARBPZSA-N -1 0 384.407 3.908 3 0 GHAFRM CC(C)(C)OC(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)[O-])CC1 ZINC000012726137 206929245 /nfs/dbraw/zinc/92/92/45/206929245.db2.gz CBFWXNYCYPTOHI-INIZCTEOSA-N -1 0 388.464 3.672 3 0 GHAFRM COc1ccc2c(C(=S)N(C)CC(=O)[O-])ccc(F)c2c1C(F)(F)F ZINC000013823554 207001003 /nfs/dbraw/zinc/00/10/03/207001003.db2.gz OKBNHLGFQVQDAD-UHFFFAOYSA-N -1 0 375.343 3.698 1 0 GHAFRM CC[C@@]1(C)C(=O)N(C(=O)N[C@H](C)c2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000026499334 207314893 /nfs/dbraw/zinc/31/48/93/207314893.db2.gz JKXLPWBIVXRUQY-ZFGLAFRWSA-N -1 0 396.443 3.819 1 0 GHAFRM CC(C)(Oc1cccc(Cl)c1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(C(=O)[O-])(C3)C2 ZINC000028882044 207351934 /nfs/dbraw/zinc/35/19/34/207351934.db2.gz CBUFQCLXNNQQNG-XFVFRGDESA-N -1 0 391.895 3.893 1 0 GHAFRM O=C([O-])c1ccccc1NC(=O)N1CCN(c2ccc3ccccc3c2)CC1 ZINC000028969586 207352817 /nfs/dbraw/zinc/35/28/17/207352817.db2.gz HIIXCRLGHAWJQP-UHFFFAOYSA-N -1 0 375.428 3.892 1 0 GHAFRM COc1ccc(N(C)C(=O)Oc2cccc3c2[C@H](CCC(=O)[O-])CN3C)cc1 ZINC000095564660 208231894 /nfs/dbraw/zinc/23/18/94/208231894.db2.gz LQCHOBCRQIAPMQ-CQSZACIVSA-N -1 0 384.432 3.729 1 0 GHAFRM COc1ccc(-c2[n-][nH]c(=O)c2NC(=O)c2ccccc2Br)cc1 ZINC000095568962 208234835 /nfs/dbraw/zinc/23/48/35/208234835.db2.gz CWNGZTQYBCYRMD-UHFFFAOYSA-N -1 0 388.221 3.806 3 0 GHAFRM CC/C=C\C/C=C\C[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770474 571812879 /nfs/dbraw/zinc/81/28/79/571812879.db2.gz BCQOUZGZSCCQCM-BJMUSUSMSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627596 206309526 /nfs/dbraw/zinc/30/95/26/206309526.db2.gz HEDNRUPBNSNEOV-CVEARBPZSA-N -1 0 382.391 3.684 3 0 GHAFRM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000627549 206309543 /nfs/dbraw/zinc/30/95/43/206309543.db2.gz HXZVYBCGAXGJOI-SJORKVTESA-N -1 0 396.443 3.777 3 0 GHAFRM O=C([O-])c1ccc(CSc2nnc(-c3ccncc3)n2C[C@H]2CCCO2)cc1 ZINC000000915216 206332593 /nfs/dbraw/zinc/33/25/93/206332593.db2.gz XUTITNYKUJXAPQ-QGZVFWFLSA-N -1 0 396.472 3.510 3 0 GHAFRM CC[C@@H](c1ccc(O)cc1)[C@H](Cn1cc(C(=O)[O-])c(=O)[nH]1)c1ccc(O)cc1 ZINC000025997389 207308521 /nfs/dbraw/zinc/30/85/21/207308521.db2.gz KPQCOKNTUAIVSL-ZWKOTPCHSA-N -1 0 382.416 3.676 1 0 GHAFRM CCCCCC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])cc1)C(=O)NCCCC ZINC000026748308 207318800 /nfs/dbraw/zinc/31/88/00/207318800.db2.gz JUXWHMIVLACNHL-QZEGLACASA-N -1 0 388.508 3.770 1 0 GHAFRM CC[C@@]1(C)C(=O)N(C(=O)N[C@H](C)c2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000026488894 207314808 /nfs/dbraw/zinc/31/48/08/207314808.db2.gz JKXLPWBIVXRUQY-XDCJIHQESA-N -1 0 396.443 3.819 1 0 GHAFRM Cc1noc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1Br ZINC000026466548 207315176 /nfs/dbraw/zinc/31/51/76/207315176.db2.gz KLVAVDXAWNBCNZ-UHFFFAOYSA-N -1 0 386.054 3.853 1 0 GHAFRM O=C(Nc1ccccc1)C(=O)c1c([O-])c(=O)[nH]c2cc(Cl)cc(Cl)c21 ZINC000027557499 207327010 /nfs/dbraw/zinc/32/70/10/207327010.db2.gz RUMZGYYNQHNTJA-UHFFFAOYSA-N -1 0 377.183 3.774 1 0 GHAFRM CCOCc1noc(N)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569312 207345646 /nfs/dbraw/zinc/34/56/46/207345646.db2.gz FNNKJTYMEQTYCW-UHFFFAOYSA-N -1 0 384.276 3.773 1 0 GHAFRM Cc1ncc(C(=O)N(C)C)nc1-c1ccc([C@H]2CC[C@H](CC(=O)[O-])CC2)cc1 ZINC000103070278 208415747 /nfs/dbraw/zinc/41/57/47/208415747.db2.gz BFDDISCOBGATLH-IYBDPMFKSA-N -1 0 381.476 3.902 1 0 GHAFRM Cc1c(-c2ccc(=O)n(CC(F)(F)F)c2)c2cc(F)ccc2n1CC(=O)[O-] ZINC000117016444 208466172 /nfs/dbraw/zinc/46/61/72/208466172.db2.gz SQRSFLBXXPFBHA-UHFFFAOYSA-N -1 0 382.313 3.564 1 0 GHAFRM Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCCC(=O)[O-])cc1 ZINC000003806575 206493934 /nfs/dbraw/zinc/49/39/34/206493934.db2.gz DDYLMISECFMAPL-ZZIRLFQASA-N -1 0 383.485 3.591 1 0 GHAFRM CC(C)CC(CCCCn1cnc2c1NC=NC[C@H]2O)(CC(C)C)C(=O)[O-] ZINC000013807380 207001589 /nfs/dbraw/zinc/00/15/89/207001589.db2.gz IYLHXLNYWJSQMG-MRXNPFEDSA-N -1 0 378.517 3.704 1 0 GHAFRM CN1C(=O)C(Nc2ccc(Cl)c(C(=O)[O-])c2)=C(c2ccc(Cl)cc2)C1=O ZINC000014946047 207033909 /nfs/dbraw/zinc/03/39/09/207033909.db2.gz BDNWHNUISAMQPI-UHFFFAOYSA-N -1 0 391.210 3.513 1 0 GHAFRM CCOC(=O)N(CC(=O)[O-])C(=O)c1cccc2c1ccc(OC)c2C(F)(F)F ZINC000026506825 207314460 /nfs/dbraw/zinc/31/44/60/207314460.db2.gz ADNNBTXUARHZNM-UHFFFAOYSA-N -1 0 399.321 3.551 1 0 GHAFRM CC(=O)c1cc(Cl)c(Cl)cc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000028644481 207346174 /nfs/dbraw/zinc/34/61/74/207346174.db2.gz XTVYDXPPESKYII-UHFFFAOYSA-N -1 0 381.215 3.945 1 0 GHAFRM O=C([O-])[C@H]1Cc2ccccc2C[C@@H]1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000028333782 207341539 /nfs/dbraw/zinc/34/15/39/207341539.db2.gz YMPRSEQZGBKKAZ-VXKWHMMOSA-N -1 0 392.476 3.996 1 0 GHAFRM CC(C)(Oc1ccccc1Cl)C(=O)NC1[C@@H]2CC3C[C@H]1CC(C(=O)[O-])(C3)C2 ZINC000028882029 207351235 /nfs/dbraw/zinc/35/12/35/207351235.db2.gz UIIZCFCYQSHWAX-XFVFRGDESA-N -1 0 391.895 3.893 1 0 GHAFRM O=C([O-])c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O ZINC000084655378 208096444 /nfs/dbraw/zinc/09/64/44/208096444.db2.gz WQEAVRFDDFXXQO-UHFFFAOYSA-N -1 0 375.174 3.833 1 0 GHAFRM CSc1ccc(-c2cc(C(=O)[O-])c3cnn(Cc4ccncc4)c3n2)cc1 ZINC000095585646 208235556 /nfs/dbraw/zinc/23/55/56/208235556.db2.gz VOHDUCPLPPWAJW-UHFFFAOYSA-N -1 0 376.441 3.962 1 0 GHAFRM O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Br)c1)O3 ZINC000096269836 208300370 /nfs/dbraw/zinc/30/03/70/208300370.db2.gz HHYQZGIHLQZUAH-DIFFPNOSSA-N -1 0 391.217 3.912 1 0 GHAFRM O=C([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2cncc(F)c2)C1 ZINC000103252343 208421062 /nfs/dbraw/zinc/42/10/62/208421062.db2.gz JZCMITUYTDQFCX-AWEZNQCLSA-N -1 0 384.329 3.733 1 0 GHAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)C1(c2ccccc2)CC1 ZINC000013488391 206976661 /nfs/dbraw/zinc/97/66/61/206976661.db2.gz DVDIXSPSNQPVNX-IALFWVKVSA-N -1 0 385.504 3.661 1 0 GHAFRM CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)[O-])CCC1 ZINC000013836513 207002711 /nfs/dbraw/zinc/00/27/11/207002711.db2.gz IQROZTCDGGUBKB-YJCCYYOKSA-N -1 0 378.509 3.641 1 0 GHAFRM CCCCCC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000026746229 207319286 /nfs/dbraw/zinc/31/92/86/207319286.db2.gz FOPSJUYRJSPRDR-XOVFHRFOSA-N -1 0 388.508 3.768 1 0 GHAFRM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3c2Cc2c-3n[nH]c2-c2ccsc2)C1 ZINC000028896623 207350658 /nfs/dbraw/zinc/35/06/58/207350658.db2.gz WBRHCOIAJKWTPZ-GFCCVEGCSA-N -1 0 393.468 3.646 1 0 GHAFRM CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](COC(=O)CCCC(=O)[O-])[C@H]21 ZINC000029484461 207362549 /nfs/dbraw/zinc/36/25/49/207362549.db2.gz FOMRJOULCLOOQV-CQUQBESWSA-N -1 0 392.492 3.901 1 0 GHAFRM N=C1N[C@](c2ccccc2)(C2CCCCC2)C(=O)N1C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101310111 208389392 /nfs/dbraw/zinc/38/93/92/208389392.db2.gz VENODDRXHDEEEG-SAHWJRBASA-N -1 0 397.519 3.510 1 0 GHAFRM Cc1[nH]c(/C=C2\C(=O)Nc3ccc(Br)cc32)c(C)c1CCC(=O)[O-] ZINC000003834033 206495520 /nfs/dbraw/zinc/49/55/20/206495520.db2.gz CQXPYMNBBOWLME-ZSOIEALJSA-N -1 0 389.249 3.904 1 0 GHAFRM COc1ccc2c(ccc(Cl)c2C(=O)N(C)CC(=O)[O-])c1C(F)(F)F ZINC000013823560 207001239 /nfs/dbraw/zinc/00/12/39/207001239.db2.gz SWMYMKDCBUBYCT-UHFFFAOYSA-N -1 0 375.730 3.677 1 0 GHAFRM C[C@H](c1nc2cc(Cl)ccc2s1)n1nc(CC(=O)[O-])c2ccccc2c1=O ZINC000013860815 207002002 /nfs/dbraw/zinc/00/20/02/207002002.db2.gz FVRHUIKDBDFAPI-SNVBAGLBSA-N -1 0 399.859 3.896 1 0 GHAFRM CC(C)c1ccc2c(CC(=O)[O-])nn(Cc3nc4ccccc4s3)c(=O)c2c1 ZINC000013860799 207002203 /nfs/dbraw/zinc/00/22/03/207002203.db2.gz LEEYZARWUNQHRE-UHFFFAOYSA-N -1 0 393.468 3.805 1 0 GHAFRM CC1(C)[C@@H]2C[C@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@@H](NC(=O)[C@H](O)C1CCCC1)C2 ZINC000025983929 207306755 /nfs/dbraw/zinc/30/67/55/207306755.db2.gz SXHUZJPIRVLMHY-AZPSIHDESA-N -1 0 391.552 3.906 1 0 in-vitro GHAFRM O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)[C@@H](O)CCC2 ZINC000049073021 207707618 /nfs/dbraw/zinc/70/76/18/207707618.db2.gz KBFADPNAWFWSTN-FQEVSTJZSA-N -1 0 375.424 3.632 1 0 GHAFRM COc1ccc(-n2ccc(CCC(=O)[O-])c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071294835 207934268 /nfs/dbraw/zinc/93/42/68/207934268.db2.gz ZWIWNKMUNJRVBM-UHFFFAOYSA-N -1 0 378.428 3.577 1 0 GHAFRM CCOc1cccc(C(=O)c2ncc(C(=O)[O-])c3cc(OC)c(OC)cc32)c1 ZINC000072318101 222226436 /nfs/dbraw/zinc/22/64/36/222226436.db2.gz QGCVZSQOARNTOU-UHFFFAOYSA-N -1 0 381.384 3.580 1 0 GHAFRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1Br ZINC000026491476 207315018 /nfs/dbraw/zinc/31/50/18/207315018.db2.gz FOGSSEYMMHPPFH-UHFFFAOYSA-N -1 0 386.054 3.853 1 0 GHAFRM CC1(C)SC[C@@H](CCC(=O)Nc2ccc3c(c2)C[C@@H](C(=O)[O-])OC3)S1 ZINC000043018065 207625923 /nfs/dbraw/zinc/62/59/23/207625923.db2.gz BBPBZPASZSZJRI-CABCVRRESA-N -1 0 381.519 3.516 1 0 GHAFRM CC(=O)c1ccc(-c2cc(C(=O)[O-])c3cnn(Cc4ccncc4)c3n2)s1 ZINC000095584070 208236569 /nfs/dbraw/zinc/23/65/69/208236569.db2.gz PKGJEFXDEGSIJI-UHFFFAOYSA-N -1 0 378.413 3.504 1 0 GHAFRM CC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000150373957 574419352 /nfs/dbraw/zinc/41/93/52/574419352.db2.gz BIHPRUQXOKWQGU-UGWOKVQSSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770482 571812868 /nfs/dbraw/zinc/81/28/68/571812868.db2.gz ULILMUUUHYDFOW-WTASKRMBSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC1(C)C[C@@H](NC(=O)[N-]S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000013608386 206984116 /nfs/dbraw/zinc/98/41/16/206984116.db2.gz KZQQTOYEBXOZHE-OAHLLOKOSA-N -1 0 394.880 3.630 1 0 GHAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)cc2)c1C ZINC000013815588 207001193 /nfs/dbraw/zinc/00/11/93/207001193.db2.gz IIMOFYDNSGNNBK-UHFFFAOYSA-N -1 0 391.474 3.714 1 0 GHAFRM CC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccccc3)no2)(C(=O)[O-])CC1 ZINC000015936612 207067828 /nfs/dbraw/zinc/06/78/28/207067828.db2.gz IGWHAKMJHXLYEK-UHFFFAOYSA-N -1 0 386.448 3.986 3 0 GHAFRM CC(C)(NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1N1CCCCC1 ZINC000027561205 207327910 /nfs/dbraw/zinc/32/79/10/207327910.db2.gz MCIPIXRWYFHHLG-UHFFFAOYSA-N -1 0 380.488 3.969 1 0 GHAFRM CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](COC(=O)CCCC(=O)[O-])[C@@H]21 ZINC000029484464 207362068 /nfs/dbraw/zinc/36/20/68/207362068.db2.gz FOMRJOULCLOOQV-PUVKRZILSA-N -1 0 392.492 3.901 1 0 GHAFRM Cc1nc(C)c(-c2ccc3c(c2)CCC32CCC(CC(=O)[O-])CC2)nc1C(N)=O ZINC000095576829 208234233 /nfs/dbraw/zinc/23/42/33/208234233.db2.gz ONQVOLGJUYOXIZ-UHFFFAOYSA-N -1 0 393.487 3.708 1 0 GHAFRM O=C(Nc1c(=O)[nH][n-]c1-c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000095571102 208234596 /nfs/dbraw/zinc/23/45/96/208234596.db2.gz MNSHHUFCIUKEOM-UHFFFAOYSA-N -1 0 391.305 3.782 3 0 GHAFRM O=C([O-])c1cc(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2o1 ZINC000096271910 208299965 /nfs/dbraw/zinc/29/99/65/208299965.db2.gz KWQQLPCMVMIVLX-UHFFFAOYSA-N -1 0 377.274 3.762 1 0 GHAFRM CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCC(=O)[O-] ZINC000150373968 574419355 /nfs/dbraw/zinc/41/93/55/574419355.db2.gz BCQOUZGZSCCQCM-OZWQXJKBSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1CC1CCCCC1 ZINC000013445865 581092929 /nfs/dbraw/zinc/09/29/29/581092929.db2.gz AHHIMFVWOKPPRS-UHFFFAOYSA-N -1 0 386.492 3.801 1 0 GHAFRM O=C([O-])c1cc(CCCCNS(=O)(=O)c2ccccc2)c2cccccc1-2 ZINC000013826265 207000306 /nfs/dbraw/zinc/00/03/06/207000306.db2.gz MRHWMBMFSCOPDZ-UHFFFAOYSA-N -1 0 383.469 3.791 1 0 GHAFRM O=C1C[C@H](c2ccc(O)cc2)Oc2cc([O-])c(Cc3ccccc3O)c(O)c21 ZINC000014811094 207029975 /nfs/dbraw/zinc/02/99/75/207029975.db2.gz OEPZGPZSYKMOSV-LJQANCHMSA-N -1 0 378.380 3.806 1 0 GHAFRM O=C([O-])c1ccc2c(c1)nc(N1CCOCC1)nc2Nc1ccc(Cl)cc1 ZINC000026722416 207318080 /nfs/dbraw/zinc/31/80/80/207318080.db2.gz QJFDZMLOPUQPAS-UHFFFAOYSA-N -1 0 384.823 3.562 1 0 GHAFRM Cc1cc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OCC[C@@H]4C)cc(C)n1 ZINC000029414979 207362994 /nfs/dbraw/zinc/36/29/94/207362994.db2.gz SFJBHHFWJGRQBE-LBPRGKRZSA-N -1 0 382.391 3.861 1 0 GHAFRM Cc1ccc2nc(Sc3ncccc3C(=O)[O-])n(-c3ccccc3)c(=O)c2c1 ZINC000096258051 208296313 /nfs/dbraw/zinc/29/63/13/208296313.db2.gz HWVGKTGDFFYITI-UHFFFAOYSA-N -1 0 389.436 3.939 1 0 GHAFRM N=C1N[C@@](c2ccccc2)(C2CCCCC2)C(=O)N1C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000101310114 208390661 /nfs/dbraw/zinc/39/06/61/208390661.db2.gz VENODDRXHDEEEG-MFEFFIJZSA-N -1 0 397.519 3.510 1 0 GHAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(Cl)cccc1Cl ZINC000026182181 208898226 /nfs/dbraw/zinc/89/82/26/208898226.db2.gz AQVUSOQZBUOAJM-HNNXBMFYSA-N -1 0 377.227 3.900 1 0 GHAFRM CC(=O)N[C@@H](CS/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl)C(=O)[O-] ZINC000033649970 206303512 /nfs/dbraw/zinc/30/35/12/206303512.db2.gz HMFZXPFVUQXTHQ-ZPFUWANQSA-N -1 0 387.499 3.841 1 0 GHAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCn3ncc4ccccc4c3=O)ccc21 ZINC000028563417 207343683 /nfs/dbraw/zinc/34/36/83/207343683.db2.gz NRMZHZYCKVOUPX-RXVVDRJESA-N -1 0 392.455 3.616 1 0 GHAFRM CCCC(C)(C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000028475356 207342925 /nfs/dbraw/zinc/34/29/25/207342925.db2.gz MBDCYXHPFVPPMD-WVYTUTAYSA-N -1 0 382.541 3.679 1 0 GHAFRM CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000059588494 291130621 /nfs/dbraw/zinc/13/06/21/291130621.db2.gz JLYYLRJNDUJLOW-MZFQVPLLSA-N -1 0 378.509 3.778 1 0 biogenic,in-vitro GHAFRM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627500 206309659 /nfs/dbraw/zinc/30/96/59/206309659.db2.gz LUYOGBJYMJKPGR-HOTGVXAUSA-N -1 0 384.407 3.908 3 0 GHAFRM O=C([O-])c1ccccc1NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000001652503 206388899 /nfs/dbraw/zinc/38/88/99/206388899.db2.gz KZHJCQDMLQBCSB-HKWRFOASSA-N -1 0 386.407 3.794 1 0 GHAFRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cnc2c(n1)C(C)(C)CCC2(C)C ZINC000026834108 207318686 /nfs/dbraw/zinc/31/86/86/207318686.db2.gz MWXIYAGLTJUMAE-UHFFFAOYSA-N -1 0 383.448 3.785 1 0 GHAFRM CC(=O)c1c(-c2ccccc2)nn(CC(=O)[O-])c(=O)c1Nc1ccc(Cl)cc1 ZINC000029548292 207365587 /nfs/dbraw/zinc/36/55/87/207365587.db2.gz XUMPUPIYSAYSFF-UHFFFAOYSA-N -1 0 397.818 3.595 1 0 GHAFRM CC/C=C\C/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770472 571812935 /nfs/dbraw/zinc/81/29/35/571812935.db2.gz BCQOUZGZSCCQCM-OGVRYBMQSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)[O-] ZINC000028604540 581098305 /nfs/dbraw/zinc/09/83/05/581098305.db2.gz LRSMHDKOINPHTE-HXUWFJFHSA-N -1 0 396.443 3.699 1 0 GHAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-n3cccn3)cc2)c1C ZINC000013437972 206974456 /nfs/dbraw/zinc/97/44/56/206974456.db2.gz FSKHGCPUJBTSRI-UHFFFAOYSA-N -1 0 394.456 3.945 1 0 GHAFRM O=S(=O)([N-]c1cc(O)cc2cccnc21)c1ccc(Br)s1 ZINC000013815799 207000973 /nfs/dbraw/zinc/00/09/73/207000973.db2.gz AXCGZYGVGWLASK-UHFFFAOYSA-N -1 0 385.264 3.565 1 0 GHAFRM C[C@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000026018810 207308400 /nfs/dbraw/zinc/30/84/00/207308400.db2.gz GKYIONYOYVKKQI-VKJFTORMSA-N -1 0 385.485 3.569 1 0 GHAFRM O=C([O-])c1ccc(CC(=O)NCc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000027559586 207327548 /nfs/dbraw/zinc/32/75/48/207327548.db2.gz WJUVDJPEDZHNSL-UHFFFAOYSA-N -1 0 386.879 3.887 1 0 GHAFRM O=C([O-])CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000028229739 207335696 /nfs/dbraw/zinc/33/56/96/207335696.db2.gz QPGYNYXJEAFHEB-MPXGXIRNSA-N -1 0 383.897 3.908 1 0 GHAFRM Cc1ccc(C(=O)[O-])cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O ZINC000049071534 207707762 /nfs/dbraw/zinc/70/77/62/207707762.db2.gz LMNYHONHRLWHOE-UHFFFAOYSA-N -1 0 395.365 3.676 1 0 GHAFRM Cc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)[O-])c1 ZINC000073198038 208034519 /nfs/dbraw/zinc/03/45/19/208034519.db2.gz XAVZMVCQMPSHMP-UHFFFAOYSA-N -1 0 378.306 3.628 1 0 GHAFRM Cc1nn(-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)c(C)c1CC(=O)[O-] ZINC000096922305 208327859 /nfs/dbraw/zinc/32/78/59/208327859.db2.gz AUJSRKOTBUORHJ-UHFFFAOYSA-N -1 0 382.395 3.899 1 0 GHAFRM Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)nc1C(N)=O ZINC000103298720 208424221 /nfs/dbraw/zinc/42/42/21/208424221.db2.gz SWDHSMIDHWCZCR-UHFFFAOYSA-N -1 0 395.846 3.807 1 0 GHAFRM C[C@@H](c1nc2cc(Cl)ccc2s1)n1nc(CC(=O)[O-])c2ccccc2c1=O ZINC000013860814 210095687 /nfs/dbraw/zinc/09/56/87/210095687.db2.gz FVRHUIKDBDFAPI-JTQLQIEISA-N -1 0 399.859 3.896 1 0 GHAFRM O=C(NCCc1ccccc1)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682667 210080377 /nfs/dbraw/zinc/08/03/77/210080377.db2.gz NHIQHUOIOSOMBZ-UHFFFAOYSA-N -1 0 391.311 3.971 1 0 GHAFRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627588 209251378 /nfs/dbraw/zinc/25/13/78/209251378.db2.gz HEDNRUPBNSNEOV-JKSUJKDBSA-N -1 0 382.391 3.684 3 0 GHAFRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627593 209251213 /nfs/dbraw/zinc/25/12/13/209251213.db2.gz HEDNRUPBNSNEOV-HOTGVXAUSA-N -1 0 382.391 3.684 3 0 GHAFRM O=C([O-])c1cc(=O)c2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2o1 ZINC000096283753 211331030 /nfs/dbraw/zinc/33/10/30/211331030.db2.gz XLFXGGJNLVVLDM-UHFFFAOYSA-N -1 0 379.368 3.532 1 0 GHAFRM CCCCCCS(=O)(=O)C[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028109833 210520909 /nfs/dbraw/zinc/52/09/09/210520909.db2.gz HWQUYPJEAXXIKD-SWZPIXIJSA-N -1 0 386.554 3.976 1 0 GHAFRM Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@@H]2CCC(=O)[O-] ZINC000027740768 210516843 /nfs/dbraw/zinc/51/68/43/210516843.db2.gz DGXWZZLXNWEOIJ-MRXNPFEDSA-N -1 0 380.835 3.986 1 0 GHAFRM CC(C)c1s/c(=N\S(=O)(=O)c2cc(Cl)ccc2[O-])n(C)c1Cl ZINC000014944769 210131648 /nfs/dbraw/zinc/13/16/48/210131648.db2.gz VTKAGCUSZSWYBW-SSZFMOIBSA-N -1 0 381.306 3.512 1 0 GHAFRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(=O)c1ccc(Cl)cc1Cl ZINC000013673930 210078648 /nfs/dbraw/zinc/07/86/48/210078648.db2.gz KPXKDNBIXCZJPW-UHFFFAOYSA-N -1 0 383.187 3.662 1 0 GHAFRM COC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473432 210062608 /nfs/dbraw/zinc/06/26/08/210062608.db2.gz FWZUEGTXKCZRSX-IBGZPJMESA-N -1 0 384.384 3.778 1 0 GHAFRM O=C([O-])c1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000004661709 209507658 /nfs/dbraw/zinc/50/76/58/209507658.db2.gz LVDWHORDNXWEDE-UHFFFAOYSA-N -1 0 379.243 3.654 1 0 GHAFRM C[C@@H](c1ccccc1)[C@H](CSC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000001538858 209331737 /nfs/dbraw/zinc/33/17/37/209331737.db2.gz GKYIONYOYVKKQI-MPGHIAIKSA-N -1 0 385.485 3.569 1 0 GHAFRM O=C([O-])c1ccc(OC[C@@H]2C=C(c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000045356586 210824314 /nfs/dbraw/zinc/82/43/14/210824314.db2.gz UDKKAOFEXBMRBH-HNNXBMFYSA-N -1 0 389.201 3.535 1 0 GHAFRM CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@@H](C)[C@@H](COC(=O)CCCC(=O)[O-])[C@@H]21 ZINC000029551896 210547342 /nfs/dbraw/zinc/54/73/42/210547342.db2.gz FOMRJOULCLOOQV-UQEZQTQMSA-N -1 0 392.492 3.901 1 0 GHAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)[O-] ZINC000028604539 581098205 /nfs/dbraw/zinc/09/82/05/581098205.db2.gz LRSMHDKOINPHTE-FQEVSTJZSA-N -1 0 396.443 3.699 1 0 GHAFRM O=C([O-])c1cccc(Oc2cccc(N(Cc3c[nH]cn3)Cc3c[nH]cn3)c2)c1 ZINC000026981939 581102147 /nfs/dbraw/zinc/10/21/47/581102147.db2.gz YPNSXRNBLGPGHX-UHFFFAOYSA-N -1 0 389.415 3.830 1 0 GHAFRM CC(=O)O[C@H]1[C@]2(CO2)[C@H]2C[C@@]13CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2 ZINC000523042146 291131071 /nfs/dbraw/zinc/13/10/71/291131071.db2.gz LITHWCWMNDKKQH-IGENTMPZSA-N -1 0 376.493 3.795 1 0 biogenic GHAFRM Cc1c[nH]c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1CCC(=O)[O-] ZINC000003815504 209454993 /nfs/dbraw/zinc/45/49/93/209454993.db2.gz MLCYRSPCPRZKNI-QPEQYQDCSA-N -1 0 375.222 3.596 1 0 GHAFRM O=C([O-])c1cc(=O)c2cc(Br)cc(NC(=O)c3ccccc3)c2o1 ZINC000096271901 211328330 /nfs/dbraw/zinc/32/83/30/211328330.db2.gz ZZDAUAMGTZSVHO-UHFFFAOYSA-N -1 0 388.173 3.506 1 0 GHAFRM COc1ccc2c(c1)c(CC(=O)[O-])cn2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000095583920 211280845 /nfs/dbraw/zinc/28/08/45/211280845.db2.gz RVKBEVLDMQJPJN-UHFFFAOYSA-N -1 0 377.318 3.984 1 0 GHAFRM COc1ccc(N(C)C(=O)Oc2cccc3c2[C@@H](CCC(=O)[O-])CN3C)cc1 ZINC000095564659 211276266 /nfs/dbraw/zinc/27/62/66/211276266.db2.gz LQCHOBCRQIAPMQ-AWEZNQCLSA-N -1 0 384.432 3.729 1 0 GHAFRM Cc1cc(-c2nc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)cc(C)n1 ZINC000035090251 210675061 /nfs/dbraw/zinc/67/50/61/210675061.db2.gz XFMYUTQNOJFNKD-UHFFFAOYSA-N -1 0 382.420 3.865 1 0 GHAFRM CCCc1c(O)c(C(C)=O)ccc1N(Cc1ccc(C(=O)[O-])cc1OC)C(C)=O ZINC000027902440 221662375 /nfs/dbraw/zinc/66/23/75/221662375.db2.gz XHXGMSZKCOULCD-UHFFFAOYSA-N -1 0 399.443 3.807 1 0 GHAFRM CC/C=C\C/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCC(=O)[O-] ZINC000150373202 571851405 /nfs/dbraw/zinc/85/14/05/571851405.db2.gz IDXBOXWUWDDSSX-JVGZUECDSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=S(=O)([N-]c1ccncc1Oc1ccc(Br)cc1)C(F)(F)F ZINC000013586686 210071099 /nfs/dbraw/zinc/07/10/99/210071099.db2.gz PNIIWQXKUNOIFW-UHFFFAOYSA-N -1 0 397.172 3.898 1 0 GHAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1CNS(=O)(=O)c1ccccc1 ZINC000013492828 210065796 /nfs/dbraw/zinc/06/57/96/210065796.db2.gz YEBYDWBNTANLRO-UHFFFAOYSA-N -1 0 399.255 3.651 1 0 GHAFRM O=C([O-])Cn1c2ccc(F)cc2c2c1CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096271033 211327596 /nfs/dbraw/zinc/32/75/96/211327596.db2.gz JMYRYCOGQOEXOC-UHFFFAOYSA-N -1 0 386.810 3.717 1 0 GHAFRM Nc1cccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)c1 ZINC000040834176 210794336 /nfs/dbraw/zinc/79/43/36/210794336.db2.gz FXTMTKWNQSDXPR-UHFFFAOYSA-N -1 0 386.043 3.752 1 0 GHAFRM CC(C)[C@@]1(C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000026492988 210499587 /nfs/dbraw/zinc/49/95/87/210499587.db2.gz LLSCPUBMNZJKCV-UNMCSNQZSA-N -1 0 396.443 3.504 1 0 GHAFRM CC/C=C\C/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000100770533 571812933 /nfs/dbraw/zinc/81/29/33/571812933.db2.gz MBWYKQQOOVDDJT-DVVFIYPXSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3[O-])cc2)no1 ZINC000006733250 581091822 /nfs/dbraw/zinc/09/18/22/581091822.db2.gz BGVQPQHIUOTLBT-UHFFFAOYSA-N -1 0 395.419 3.969 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](NC(=O)NC2CCCCC2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455299 210061683 /nfs/dbraw/zinc/06/16/83/210061683.db2.gz NSEIGQYUSFJQQX-UONOGXRCSA-N -1 0 386.279 3.935 1 0 GHAFRM Cc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1 ZINC000013455277 210061305 /nfs/dbraw/zinc/06/13/05/210061305.db2.gz HDKVRCMROTVGSY-JKSUJKDBSA-N -1 0 393.270 3.971 1 0 GHAFRM CCc1c(CC(N)=O)c2cc(SCCC(=O)[O-])ccc2n1Cc1ccccc1 ZINC000013446164 210060970 /nfs/dbraw/zinc/06/09/70/210060970.db2.gz MPLWFVCPHLMUAY-UHFFFAOYSA-N -1 0 396.512 3.847 1 0 GHAFRM C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1ccccc1 ZINC000096901655 211350255 /nfs/dbraw/zinc/35/02/55/211350255.db2.gz UZNPNDSNOQSVTD-PBEJRMEISA-N -1 0 378.476 3.994 1 0 GHAFRM CCCCN(c1ccccc1)S(=O)(=O)c1ccc2cc(C(=O)[O-])n(O)c2c1 ZINC000073164836 211125684 /nfs/dbraw/zinc/12/56/84/211125684.db2.gz BXWZIABXOBAADS-UHFFFAOYSA-N -1 0 388.445 3.572 1 0 GHAFRM O=C([O-])Cc1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000073167538 211125693 /nfs/dbraw/zinc/12/56/93/211125693.db2.gz CVVCWEYROGOFNE-INIZCTEOSA-N -1 0 382.807 3.706 1 0 GHAFRM O=C([O-])c1ccc(-c2nc(-c3ccccn3)c(C3=CC=C4OCO[C@@H]4C3)[nH]2)cc1 ZINC000045320773 210822428 /nfs/dbraw/zinc/82/24/28/210822428.db2.gz BQFXVSLMZTXNSN-GOSISDBHSA-N -1 0 387.395 3.881 1 0 GHAFRM CCCCCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000026746224 210505629 /nfs/dbraw/zinc/50/56/29/210505629.db2.gz FOPSJUYRJSPRDR-NKAIQICCSA-N -1 0 388.508 3.768 1 0 GHAFRM COc1ccc2c(ccc(SC)c2C(=O)N(C)CC(=O)[O-])c1C(F)(F)F ZINC000013823580 210093792 /nfs/dbraw/zinc/09/37/92/210093792.db2.gz GZYIUVQIGVSCLL-UHFFFAOYSA-N -1 0 387.379 3.746 1 0 GHAFRM O=C([O-])C[C@@H]1CC(CNC(=O)CCCNc2nccs2)=CCc2ccccc21 ZINC000013819497 210092612 /nfs/dbraw/zinc/09/26/12/210092612.db2.gz QGLIEPQLAXSZRG-KRWDZBQOSA-N -1 0 399.516 3.583 1 0 GHAFRM Nc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000001650362 209335328 /nfs/dbraw/zinc/33/53/28/209335328.db2.gz HHVNLSYOJFDIGD-UHFFFAOYSA-N -1 0 391.456 3.756 1 0 GHAFRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627591 209252073 /nfs/dbraw/zinc/25/20/73/209252073.db2.gz HEDNRUPBNSNEOV-HZPDHXFCSA-N -1 0 382.391 3.684 3 0 GHAFRM Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)cc(CN(C)C)n1 ZINC000000586487 209250865 /nfs/dbraw/zinc/25/08/65/209250865.db2.gz ZZORULCSBWQSMU-UHFFFAOYSA-N -1 0 395.434 3.606 1 0 GHAFRM COc1cc(Oc2c([O-])c(C(C)=O)c(OC)c(C)c2O)c(C(C)=O)c(O)c1C ZINC000001629867 209190892 /nfs/dbraw/zinc/19/08/92/209190892.db2.gz QNCHFYWKVGDPCD-UHFFFAOYSA-N -1 0 390.388 3.635 1 0 GHAFRM COc1cc(-c2cc3nc(-c4ccccc4)cc(=O)n3[n-]2)cc(OC)c1OC ZINC000100952587 211394376 /nfs/dbraw/zinc/39/43/76/211394376.db2.gz FFTJNLLXINRTJC-UHFFFAOYSA-N -1 0 377.400 3.795 1 0 GHAFRM COc1ccc(-c2nc(-c3cccc4c(CCC(=O)[O-])c[nH]c43)no2)cc1OC ZINC000084596946 211171390 /nfs/dbraw/zinc/17/13/90/211171390.db2.gz LXMIBKREPYESSP-UHFFFAOYSA-N -1 0 393.399 3.919 1 0 GHAFRM COCC[C@H](CC1(C(=O)N[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000028641343 210529987 /nfs/dbraw/zinc/52/99/87/210529987.db2.gz FEONGSYVTTZFNY-NXHRZFHOSA-N -1 0 393.911 4.000 1 0 GHAFRM O=C([O-])CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNC(=O)CCc1ccccc1 ZINC000026499251 210499305 /nfs/dbraw/zinc/49/93/05/210499305.db2.gz MECZNTRJETVPRU-SIQXLRKRSA-N -1 0 385.504 3.730 1 0 GHAFRM CC/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)C/C=C\CCC(=O)[O-] ZINC000150373937 571851399 /nfs/dbraw/zinc/85/13/99/571851399.db2.gz MBWYKQQOOVDDJT-BPSQMMDFSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C(=O)N[C@H](CO)C(=O)[O-])[C@@H]2CC1 ZINC000096901078 211350372 /nfs/dbraw/zinc/35/03/72/211350372.db2.gz ZKXDPQFXFWDHLD-VCSLONGPSA-N -1 0 389.536 3.683 1 0 GHAFRM CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C(=O)[O-])C[C@@](C)(C(N)=O)CC[C@@H]21 ZINC000084688513 211174708 /nfs/dbraw/zinc/17/47/08/211174708.db2.gz ZUDYLWZRABULNU-CYKJOMKPSA-N -1 0 393.524 3.519 1 0 GHAFRM C[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000072118365 211069010 /nfs/dbraw/zinc/06/90/10/211069010.db2.gz OZOJMUYAVGXEPU-YJYMSZOUSA-N -1 0 377.362 3.750 1 0 GHAFRM O=C([O-])c1cn(Cc2ccc(OC(F)(F)F)cc2)c2c(F)ccc(F)c2c1=O ZINC000045352884 210824374 /nfs/dbraw/zinc/82/43/74/210824374.db2.gz OMEHHEPUYBJZRE-UHFFFAOYSA-N -1 0 399.271 3.925 1 0 GHAFRM O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-n4cncn4)cc3)ccc21 ZINC000014977061 581101656 /nfs/dbraw/zinc/10/16/56/581101656.db2.gz AOZIYHRDHCZRJS-KRWDZBQOSA-N -1 0 393.443 3.620 1 0 GHAFRM O=C([O-])Cn1c2ccc(Cl)cc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 ZINC000013649921 210075304 /nfs/dbraw/zinc/07/53/04/210075304.db2.gz NYIAJJZEKKAPPM-UHFFFAOYSA-N -1 0 385.634 3.896 1 0 GHAFRM CC(=O)[C@H](CCCCCCC(=O)[O-])CCC[C@@H](O)COc1ccccc1O ZINC000169316950 211633840 /nfs/dbraw/zinc/63/38/40/211633840.db2.gz ZOZNIKCSOXQVPH-QZTJIDSGSA-N -1 0 380.481 3.933 1 0 GHAFRM C[C@]1(c2ccc(N)cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000138766606 211491105 /nfs/dbraw/zinc/49/11/05/211491105.db2.gz DTDIPMUWYZUDPS-GOSISDBHSA-N -1 0 380.227 3.736 1 0 GHAFRM O=C([O-])c1cc(-c2cccc3cccnc32)nc2c1cnn2Cc1ccncc1 ZINC000095582901 211280747 /nfs/dbraw/zinc/28/07/47/211280747.db2.gz RRBMVIRUAQRCOH-UHFFFAOYSA-N -1 0 381.395 3.788 1 0 GHAFRM O=C([O-])c1ccc2c(c1)C[C@H](CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000027326776 210512536 /nfs/dbraw/zinc/51/25/36/210512536.db2.gz PLWKKGQYDYRBJW-CYBMUJFWSA-N -1 0 393.892 3.512 1 0 GHAFRM CCc1ccc2c(c1)C[C@H](C(=O)[O-])N2C(=O)[C@@H](C)CSC(=O)c1ccccc1 ZINC000027319726 210511848 /nfs/dbraw/zinc/51/18/48/210511848.db2.gz GNDZHYWVELXVFR-IFXJQAMLSA-N -1 0 397.496 3.801 1 0 GHAFRM COc1c(-c2ccoc2)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)[O-] ZINC000014965063 210135266 /nfs/dbraw/zinc/13/52/66/210135266.db2.gz HCVSSQYRQFCKIO-UHFFFAOYSA-N -1 0 391.376 3.593 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](NC(=O)NCc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455308 210060845 /nfs/dbraw/zinc/06/08/45/210060845.db2.gz VOFSYTJPDIFPCK-LSDHHAIUSA-N -1 0 394.258 3.803 1 0 GHAFRM CO[C@H]1CCCC[C@@H]2CC[C@@H]3CC4=C(C(=O)[O-])[C@@]1(O)[C@H]1c5cc[nH]c5C[C@]3(C)[C@@]412 ZINC000085548898 291132397 /nfs/dbraw/zinc/13/23/97/291132397.db2.gz DJXFUIVRJWNMMM-JDIUVKICSA-N -1 0 396.507 3.578 1 0 biogenic,in-vitro GHAFRM CC(=O)O[C@]12CCC(C)=CC[C@]13CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O ZINC000095914578 291131077 /nfs/dbraw/zinc/13/10/77/291131077.db2.gz GOHMRMDXUXWCDQ-DKECHREQSA-N -1 0 388.460 3.718 1 0 biogenic,in-vitro GHAFRM CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c2c(c1O)C[C@H](C(C)(C)O)O2 ZINC000014883272 291131103 /nfs/dbraw/zinc/13/11/03/291131103.db2.gz WJJRDCKWHJDYTN-QGZVFWFLSA-N -1 0 382.456 3.912 1 0 biogenic,in-vitro GHAFRM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000627545 209252225 /nfs/dbraw/zinc/25/22/25/209252225.db2.gz HXZVYBCGAXGJOI-IAGOWNOFSA-N -1 0 396.443 3.777 3 0 GHAFRM Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cccc(C(=O)[O-])c5)c4)c3c2)cn1 ZINC000096282985 211331590 /nfs/dbraw/zinc/33/15/90/211331590.db2.gz LKQKEJPUPWXICV-UHFFFAOYSA-N -1 0 398.426 3.573 1 0 GHAFRM NC(=O)c1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000095592141 211280127 /nfs/dbraw/zinc/28/01/27/211280127.db2.gz SOBGZIKEXOOQFR-UHFFFAOYSA-N -1 0 392.255 3.781 1 0 GHAFRM O=C([O-])Cn1c2cc(F)cc(F)c2c2c1C(=S)N(Cc1ccccc1)CC2 ZINC000073387300 211127422 /nfs/dbraw/zinc/12/74/22/211127422.db2.gz QBQZUKSEKXJYCS-UHFFFAOYSA-N -1 0 386.423 3.738 1 0 GHAFRM COc1ccc(-c2ccn(C[C@@H](C)C(=O)[O-])c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071296116 211043858 /nfs/dbraw/zinc/04/38/58/211043858.db2.gz AUBPCSQHTPPBCG-OAHLLOKOSA-N -1 0 392.455 3.959 1 0 GHAFRM CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1C/C=C/CCCC(=O)[O-] ZINC000065731399 210997764 /nfs/dbraw/zinc/99/77/64/210997764.db2.gz QAOBBBBDJSWHMU-LEQNYSIJSA-N -1 0 380.525 3.887 1 0 in-vitro GHAFRM O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCC[C@@H]2O ZINC000049070957 210859714 /nfs/dbraw/zinc/85/97/14/210859714.db2.gz RARYZVDHTIAOTF-FQEVSTJZSA-N -1 0 375.424 3.632 1 0 GHAFRM O=C([O-])C1CCN(C(=O)c2cccc3c2Cc2c-3n[nH]c2-c2ccsc2)CC1 ZINC000028896618 210537097 /nfs/dbraw/zinc/53/70/97/210537097.db2.gz WZBKYTHQUNBRJJ-UHFFFAOYSA-N -1 0 393.468 3.646 1 0 GHAFRM CC(C)CC(CCCCn1cnc2c1NC=NC[C@@H]2O)(CC(C)C)C(=O)[O-] ZINC000013807378 210092070 /nfs/dbraw/zinc/09/20/70/210092070.db2.gz IYLHXLNYWJSQMG-INIZCTEOSA-N -1 0 378.517 3.704 1 0 GHAFRM CCN1c2ccc(S(=O)(=O)[N-]c3ccccc3C(C)=O)c3cccc(c23)C1=O ZINC000169308101 211633792 /nfs/dbraw/zinc/63/37/92/211633792.db2.gz QHDVAJSQYPJXAT-UHFFFAOYSA-N -1 0 394.452 3.823 1 0 GHAFRM C[C@@]1(c2ccc(O)cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000138765725 211491184 /nfs/dbraw/zinc/49/11/84/211491184.db2.gz XJUWLFHSJICRME-SFHVURJKSA-N -1 0 381.211 3.859 1 0 GHAFRM [NH3+][C@](CC1c2ccccc2Sc2ccccc21)(C(=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000100844422 211392579 /nfs/dbraw/zinc/39/25/79/211392579.db2.gz KXEPELZEWQYLKO-BYVOGVQKSA-N -1 0 383.469 3.566 1 0 GHAFRM CC(=O)O[C@@H]1C[C@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]2CC[C@@]1(C)[C@@H]3O ZINC000095590894 211279720 /nfs/dbraw/zinc/27/97/20/211279720.db2.gz HISHAOAVLARGRY-UJOJNPCZSA-N -1 0 378.509 3.777 1 0 GHAFRM O=C([O-])CNc1cnc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nc1 ZINC000072112167 211069671 /nfs/dbraw/zinc/06/96/71/211069671.db2.gz LZKCUOZXMYTXJZ-UHFFFAOYSA-N -1 0 379.460 3.814 1 0 GHAFRM CC[C@@H]1C=C(C(=O)[O-])[C@H](c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947024 210931696 /nfs/dbraw/zinc/93/16/96/210931696.db2.gz WOZOEMUIHGRJLB-APWZRJJASA-N -1 0 389.448 3.669 3 0 GHAFRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1Br ZINC000026468801 210499398 /nfs/dbraw/zinc/49/93/98/210499398.db2.gz PBPOTRLJYLWSKV-UHFFFAOYSA-N -1 0 386.054 3.853 1 0 GHAFRM CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c2c(c1O)C[C@@H](O)C(C)(C)O2 ZINC000085949816 291131113 /nfs/dbraw/zinc/13/11/13/291131113.db2.gz FMFKVIPIJGRQEB-QGZVFWFLSA-N -1 0 382.456 3.912 1 0 biogenic,in-vitro GHAFRM COc1cccc2c1c([O-])c(C(=O)N(C)c1cccc(C(C)(C)C)c1)c(=O)n2C ZINC000100815232 211391736 /nfs/dbraw/zinc/39/17/36/211391736.db2.gz BRCNTVOLYQMKDW-UHFFFAOYSA-N -1 0 394.471 3.827 1 0 GHAFRM CC(C)c1ccccc1NC(=O)c1cc(=O)c2cccc(NS(C)(=O)=O)c2[n-]1 ZINC000095588581 211279850 /nfs/dbraw/zinc/27/98/50/211279850.db2.gz JTWSGOHBLGCNBU-UHFFFAOYSA-N -1 0 399.472 3.688 1 0 GHAFRM O=C([O-])/C=C\CCCC[C@H]1C[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3)[C@@H]1C2 ZINC000071325804 211045862 /nfs/dbraw/zinc/04/58/62/211045862.db2.gz ZKZOYXGUPGXLKM-HZXNAQEOSA-N -1 0 377.506 3.581 1 0 GHAFRM Nc1c(Cl)cc(-c2cn(CCC(=O)[O-])c(-c3ccncc3)n2)cc1Cl ZINC000036387393 210725971 /nfs/dbraw/zinc/72/59/71/210725971.db2.gz BKOWGGKBOPWNNJ-UHFFFAOYSA-N -1 0 377.231 3.976 3 0 GHAFRM CC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000150373950 574419354 /nfs/dbraw/zinc/41/93/54/574419354.db2.gz BIHPRUQXOKWQGU-INUHVSEHSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CCc1ccc2c(c1)C[C@@H](C(=O)[O-])N2C(=O)[C@@H](C)CSC(=O)c1ccccc1 ZINC000027319737 581091666 /nfs/dbraw/zinc/09/16/66/581091666.db2.gz GNDZHYWVELXVFR-LIRRHRJNSA-N -1 0 397.496 3.801 1 0 GHAFRM CCc1ccc2c(c1)C[C@@H](C(=O)[O-])N2C(=O)[C@H](C)CSC(=O)c1ccccc1 ZINC000027319743 581091911 /nfs/dbraw/zinc/09/19/11/581091911.db2.gz GNDZHYWVELXVFR-KUHUBIRLSA-N -1 0 397.496 3.801 1 0 GHAFRM CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])c3ccc4c(c3n2)CCCC4)cc1 ZINC000045316436 581099593 /nfs/dbraw/zinc/09/95/93/581099593.db2.gz JDDCHQYJQPPDNS-UHFFFAOYSA-N -1 0 381.453 3.882 1 0 GHAFRM CC(C)c1ccc2nc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)sc2c1 ZINC000013860758 210096455 /nfs/dbraw/zinc/09/64/55/210096455.db2.gz HNZCEIZKGWVAAA-UHFFFAOYSA-N -1 0 393.468 3.805 1 0 GHAFRM CC(C)=CCc1c2c(c(O)c(C(=O)c3ccccc3)c1[O-])C[C@@H](C(C)(C)O)O2 ZINC000014883266 291131182 /nfs/dbraw/zinc/13/11/82/291131182.db2.gz CPSYTNBTYGUYDI-KRWDZBQOSA-N -1 0 382.456 3.912 1 0 biogenic,in-vitro GHAFRM C[C@H](C(=O)[O-])c1ccc(C(=O)c2ccc(I)s2)cc1 ZINC000002047443 209343770 /nfs/dbraw/zinc/34/37/70/209343770.db2.gz UIZPHGUBGPJBAR-QMMMGPOBSA-N -1 0 386.210 3.772 1 0 in-vivo GHAFRM COc1cc2c(cc1OC)C([O-])=C(C(=O)c1ccc(Br)cc1)C2 ZINC000101324040 211397903 /nfs/dbraw/zinc/39/79/03/211397903.db2.gz TUZNIQVSMNTILP-AWEZNQCLSA-N -1 0 375.218 3.704 1 0 GHAFRM CCCOc1c2c(cc(OC)c1OC)[C@@H]1Nc3ccccc3[C@H](C(=O)[O-])[C@@H]1C2=O ZINC000095589872 211280604 /nfs/dbraw/zinc/28/06/04/211280604.db2.gz KHYONCKUJSVNSU-SZMVWBNQSA-N -1 0 397.427 3.640 1 0 GHAFRM Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(C)ccc2n1CC(=O)[O-] ZINC000095560225 211277007 /nfs/dbraw/zinc/27/70/07/211277007.db2.gz ZAVCMRNSGKTQKV-UHFFFAOYSA-N -1 0 387.439 3.615 1 0 GHAFRM COc1cc2c(cc1OC)C(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2 ZINC000084604971 211170979 /nfs/dbraw/zinc/17/09/79/211170979.db2.gz VARKBSSQYLZCJS-CQSZACIVSA-N -1 0 379.334 3.677 1 0 GHAFRM COc1cc2c(cc1OC)[C@H](O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1-2 ZINC000084604973 211170105 /nfs/dbraw/zinc/17/01/05/211170105.db2.gz OGHIOGIHUJNEIB-HUUCEWRRSA-N -1 0 381.350 3.528 1 0 GHAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)[O-] ZINC000034717746 581098210 /nfs/dbraw/zinc/09/82/10/581098210.db2.gz JTZPVQRNTCZQFO-IBGZPJMESA-N -1 0 396.443 3.699 1 0 GHAFRM C[C@]1(CC(=O)[O-])C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2ccccc21 ZINC000013601440 210071187 /nfs/dbraw/zinc/07/11/87/210071187.db2.gz UFDGEHUINTXBOY-LJQANCHMSA-N -1 0 392.238 3.908 1 0 GHAFRM COCC(=O)Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000013489799 210062563 /nfs/dbraw/zinc/06/25/63/210062563.db2.gz GHQGDOHARFDEDK-UHFFFAOYSA-N -1 0 381.272 3.737 1 0 GHAFRM O=C([O-])C[C@H]1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc21 ZINC000001909792 209342670 /nfs/dbraw/zinc/34/26/70/209342670.db2.gz LTTIHWWYCLBIKC-LJQANCHMSA-N -1 0 393.487 3.521 1 0 GHAFRM O=C(Nc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000100762074 211390129 /nfs/dbraw/zinc/39/01/29/211390129.db2.gz HIRMFXMCAMRFJM-UHFFFAOYSA-N -1 0 391.814 3.997 1 0 GHAFRM O=C([O-])c1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1 ZINC000082150436 211161455 /nfs/dbraw/zinc/16/14/55/211161455.db2.gz DXTYZFDZNWAJLW-UHFFFAOYSA-N -1 0 380.791 3.733 1 0 GHAFRM CC[C@H](NC(=O)[C@H](CSC(=O)c1ccccc1)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000026023371 210490370 /nfs/dbraw/zinc/49/03/70/210490370.db2.gz ZUHWANQBSWSXTL-LZQZEXGQSA-N -1 0 399.512 3.959 1 0 GHAFRM CCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)[O-] ZINC000034717747 581098321 /nfs/dbraw/zinc/09/83/21/581098321.db2.gz JTZPVQRNTCZQFO-LJQANCHMSA-N -1 0 396.443 3.699 1 0 GHAFRM CCC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3cccc(C(=O)[O-])c3)ccc21 ZINC000013493898 210064396 /nfs/dbraw/zinc/06/43/96/210064396.db2.gz QDLBIAXQKXJDGG-UHFFFAOYSA-N -1 0 383.360 3.519 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](C(=O)NCc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455343 210060495 /nfs/dbraw/zinc/06/04/95/210060495.db2.gz NYHQMJXKXFEJLA-SWLSCSKDSA-N -1 0 379.243 3.662 1 0 GHAFRM CCCCNC(=O)C(NC(=O)c1ccc2ccccc2c1)=C([O-])c1ccccc1 ZINC000095604049 211282291 /nfs/dbraw/zinc/28/22/91/211282291.db2.gz UOSPTJWOENZUCD-OAQYLSRUSA-N -1 0 388.467 3.737 3 0 GHAFRM O=C([O-])Cc1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 ZINC000073167568 211125751 /nfs/dbraw/zinc/12/57/51/211125751.db2.gz VDPSKZGMCOYSSZ-MRXNPFEDSA-N -1 0 382.807 3.706 1 0 GHAFRM NC(=O)c1cccc(-c2cc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)c1 ZINC000028571376 210529512 /nfs/dbraw/zinc/52/95/12/210529512.db2.gz MIRPEVDMURQGBL-UHFFFAOYSA-N -1 0 395.415 3.557 1 0 GHAFRM O=C([O-])c1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 ZINC000101073574 136189397 /nfs/dbraw/zinc/18/93/97/136189397.db2.gz HYKHWXINUDUDFY-UHFFFAOYSA-N -1 0 393.464 3.977 1 0 GHAFRM O=C([O-])CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013822279 210094340 /nfs/dbraw/zinc/09/43/40/210094340.db2.gz PWTCIBWRMQFJBC-ZEMKZVSASA-N -1 0 377.506 3.581 1 0 in-man GHAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCc4ccccc4C3)c(F)cc2c1=O ZINC000013605028 210071853 /nfs/dbraw/zinc/07/18/53/210071853.db2.gz SYTONAVYSHTHRY-UHFFFAOYSA-N -1 0 378.403 3.736 1 0 GHAFRM CC(=O)OC[C@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000005857212 291130620 /nfs/dbraw/zinc/13/06/20/291130620.db2.gz JLYYLRJNDUJLOW-WBUFBUKVSA-N -1 0 378.509 3.778 1 0 biogenic,in-vitro GHAFRM CN(C)c1cc(CC(=O)[O-])cc(Cc2nc3c(s2)c(F)cc(F)c3F)c1 ZINC000001485637 209330232 /nfs/dbraw/zinc/33/02/32/209330232.db2.gz FGCKDVVIGITSFW-UHFFFAOYSA-N -1 0 380.391 3.998 1 0 GHAFRM Cc1nc(C)c(-c2ccc(C34CCC(CC(=O)[O-])(CC3)CC4)cc2)nc1C(N)=O ZINC000095579352 211279027 /nfs/dbraw/zinc/27/90/27/211279027.db2.gz OMVYFOALXOVXMF-UHFFFAOYSA-N -1 0 393.487 3.926 1 0 GHAFRM COCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3[O-])cnc21 ZINC000095560335 211276947 /nfs/dbraw/zinc/27/69/47/211276947.db2.gz MIWLVFZOCHMICD-UHFFFAOYSA-N -1 0 375.428 3.806 1 0 in-vitro GHAFRM CC(C)(Oc1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1)C(=O)[O-] ZINC000038151295 210752817 /nfs/dbraw/zinc/75/28/17/210752817.db2.gz AFDXRWONGGZRBQ-UHFFFAOYSA-N -1 0 396.468 3.982 1 0 GHAFRM COc1ccc(Cc2ncc(C(=O)[O-])c3cc(OC)c(OC)cc23)cc1OC ZINC000034089476 210655465 /nfs/dbraw/zinc/65/54/65/210655465.db2.gz SGFWTTIKOOLHND-UHFFFAOYSA-N -1 0 383.400 3.558 1 0 GHAFRM CC1(C)SC[C@H](CCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)[O-])C3)S1 ZINC000043012483 581093688 /nfs/dbraw/zinc/09/36/88/581093688.db2.gz HEZDUVOOOSBRGR-GJZGRUSLSA-N -1 0 381.519 3.516 1 0 GHAFRM O=C1C[C@@H](c2ccc(O)cc2)Oc2cc([O-])c(Cc3ccccc3O)c(O)c21 ZINC000014811092 210129366 /nfs/dbraw/zinc/12/93/66/210129366.db2.gz OEPZGPZSYKMOSV-IBGZPJMESA-N -1 0 378.380 3.806 1 0 GHAFRM CC(C)(C)c1cc(-c2nsc([N-]S(C)(=O)=O)n2)cc(C(C)(C)C)c1O ZINC000013796384 210091680 /nfs/dbraw/zinc/09/16/80/210091680.db2.gz WPBNNLYXWQKBRN-UHFFFAOYSA-N -1 0 383.539 3.877 1 0 GHAFRM COc1ccc(/C=C/c2ccc(/C=C3\SC(=O)N(CC(=O)[O-])C3=O)cc2)cc1 ZINC000072175495 211081241 /nfs/dbraw/zinc/08/12/41/211081241.db2.gz FSSCVMDNOUPESJ-NYPQDNDQSA-N -1 0 395.436 3.987 1 0 GHAFRM Cc1cc([C@@]2(C(C)C)OC(=O)[N-]C2=O)c(=O)[nH]c1-c1ccc2ccccc2c1 ZINC000071341827 211047063 /nfs/dbraw/zinc/04/70/63/211047063.db2.gz SVEOGOVDBURWSM-JOCHJYFZSA-N -1 0 376.412 3.621 1 0 GHAFRM Cc1c(N2CC[C@@H]3CCCC[C@@H]3C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12 ZINC000100917036 136189271 /nfs/dbraw/zinc/18/92/71/136189271.db2.gz UCMPHQKNCVCAMS-LSDHHAIUSA-N -1 0 395.503 3.942 1 0 GHAFRM CC/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000100770532 571812977 /nfs/dbraw/zinc/81/29/77/571812977.db2.gz MBWYKQQOOVDDJT-QITWKKKXSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM COc1cc(-c2coc3cc([O-])cc(O)c3c2=O)c2c(c1O)OC(C)(C)C=C2 ZINC000014658562 212149214 /nfs/dbraw/zinc/14/92/14/212149214.db2.gz WHEMTMQWUKJLIV-UHFFFAOYSA-N -1 0 382.368 3.770 1 0 GHAFRM CCCOc1ccc2c(ccc(OC)c2C(F)(F)F)c1C(=O)N(C)CC(=O)[O-] ZINC000013823570 221290515 /nfs/dbraw/zinc/29/05/15/221290515.db2.gz HVMSGLSMLMQYCP-UHFFFAOYSA-N -1 0 399.365 3.813 1 0 GHAFRM O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000014946012 221319084 /nfs/dbraw/zinc/31/90/84/221319084.db2.gz UABQVGRYOFOCJO-UHFFFAOYSA-N -1 0 383.618 3.832 1 0 GHAFRM CS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)[O-])c(Cl)c1 ZINC000071340818 222183089 /nfs/dbraw/zinc/18/30/89/222183089.db2.gz RRDSWNIAKIQLQS-UHFFFAOYSA-N -1 0 375.229 3.527 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](NC(=O)Cc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000000597479 212163669 /nfs/dbraw/zinc/16/36/69/212163669.db2.gz NYBZRUOSBRYIDG-LSDHHAIUSA-N -1 0 379.243 3.662 1 0 GHAFRM NC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1[O-] ZINC000000582303 212164071 /nfs/dbraw/zinc/16/40/71/212164071.db2.gz HXWAIGPPSSSOED-UHFFFAOYSA-N -1 0 384.617 3.551 1 0 GHAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000005819486 212147977 /nfs/dbraw/zinc/14/79/77/212147977.db2.gz RSZIWUYYWPZFLI-FQEVSTJZSA-N -1 0 396.443 3.648 1 0 GHAFRM O=C([O-])COc1cc2c(c(Cl)c1Cl)S(=O)(=O)C(C1CCCC1)=C2 ZINC000026382048 221640084 /nfs/dbraw/zinc/64/00/84/221640084.db2.gz WVXYCBUZNKJGNM-UHFFFAOYSA-N -1 0 377.245 3.775 1 0 GHAFRM COc1ccc(C[C@H](C)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652298 221680788 /nfs/dbraw/zinc/68/07/88/221680788.db2.gz PZTNQSXMMTZUAR-LBPRGKRZSA-N -1 0 395.377 3.907 1 0 GHAFRM COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1[O-])c1ccc(Cl)cc1 ZINC000064447851 222071036 /nfs/dbraw/zinc/07/10/36/222071036.db2.gz FDNHNLOZKDOIDM-FBMGVBCBSA-N -1 0 386.787 3.759 1 0 GHAFRM O=C([O-])CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1 ZINC000169333657 222535184 /nfs/dbraw/zinc/53/51/84/222535184.db2.gz HVRGLVCTBPHXCT-UHFFFAOYSA-N -1 0 376.412 3.687 1 0 GHAFRM CO[C@](C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)[O-] ZINC000034575835 581099667 /nfs/dbraw/zinc/09/96/67/581099667.db2.gz HLEQAMRJYWQJCX-JOCHJYFZSA-N -1 0 396.443 3.699 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](N2C(=O)c3ccccc3C2=O)c2c(Cl)cc(Cl)cc2N1 ZINC000013455359 221269426 /nfs/dbraw/zinc/26/94/26/221269426.db2.gz USOLAPNHCRKZDZ-KGLIPLIRSA-N -1 0 391.210 3.600 1 0 GHAFRM O=C([O-])C[C@H]1CC(CNC(=O)CCCNc2nccs2)=CCc2ccccc21 ZINC000013819499 221290439 /nfs/dbraw/zinc/29/04/39/221290439.db2.gz QGLIEPQLAXSZRG-QGZVFWFLSA-N -1 0 399.516 3.583 1 0 GHAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCn3ncc4ccccc4c3=O)ccc21 ZINC000028563423 221679867 /nfs/dbraw/zinc/67/98/67/221679867.db2.gz NRMZHZYCKVOUPX-WIYYLYMNSA-N -1 0 392.455 3.616 1 0 GHAFRM O=C([O-])CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)Cc1ccccc1 ZINC000029487038 221693367 /nfs/dbraw/zinc/69/33/67/221693367.db2.gz ITAHZXWIPQUDQR-LDLPKLDASA-N -1 0 391.533 3.722 1 0 GHAFRM CC(=O)O[C@H]1[C@@]2(CO2)[C@H]2C[C@@]13CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2 ZINC000523042151 291131074 /nfs/dbraw/zinc/13/10/74/291131074.db2.gz LITHWCWMNDKKQH-XGZNIJJASA-N -1 0 376.493 3.795 1 0 biogenic GHAFRM Cc1c(CCC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1Cc1ccccc1 ZINC000013446196 221268746 /nfs/dbraw/zinc/26/87/46/221268746.db2.gz WTOJNMWRVMBSQO-UHFFFAOYSA-N -1 0 394.471 3.660 1 0 GHAFRM O=C([O-])CN1c2ccccc2C(c2ccccc2)=N[C@H](Cc2ccccc2)C1=O ZINC000027524754 221653457 /nfs/dbraw/zinc/65/34/57/221653457.db2.gz TVOMJEVRCGOQDK-HXUWFJFHSA-N -1 0 384.435 3.567 1 0 GHAFRM CC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770499 571813092 /nfs/dbraw/zinc/81/30/92/571813092.db2.gz BIHPRUQXOKWQGU-NPHSIQPDSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)[O-] ZINC000013136306 221262156 /nfs/dbraw/zinc/26/21/56/221262156.db2.gz WNONPYXRQSNKDT-NEBZKDRISA-N -1 0 391.489 3.647 1 0 GHAFRM Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])cc(C)c2n1Cc1ccccc1 ZINC000013446175 221269373 /nfs/dbraw/zinc/26/93/73/221269373.db2.gz BLJFWXYCLMJZAO-UHFFFAOYSA-N -1 0 394.471 3.578 1 0 GHAFRM CC(C)(C)n1ncc2c1ncn(Cc1ccc(SC(=O)[O-])cc1Cl)c2=O ZINC000013831262 221291613 /nfs/dbraw/zinc/29/16/13/221291613.db2.gz RVFBLYUXSWHRAC-UHFFFAOYSA-N -1 0 392.868 3.820 1 0 GHAFRM CC/C=C\C/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCC(=O)[O-] ZINC000150373966 574419344 /nfs/dbraw/zinc/41/93/44/574419344.db2.gz BCQOUZGZSCCQCM-AIWBUDEOSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\C/C=C\CCC(=O)[O-] ZINC000085588951 574416681 /nfs/dbraw/zinc/41/66/81/574416681.db2.gz ULILMUUUHYDFOW-TWCUHTLSSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCC(=O)[O-] ZINC000150373933 571851451 /nfs/dbraw/zinc/85/14/51/571851451.db2.gz MBWYKQQOOVDDJT-FGTFCJAHSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000005819488 212147507 /nfs/dbraw/zinc/14/75/07/212147507.db2.gz RSZIWUYYWPZFLI-HXUWFJFHSA-N -1 0 396.443 3.648 1 0 GHAFRM O=C([O-])C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2ccccc21 ZINC000013601261 221277168 /nfs/dbraw/zinc/27/71/68/221277168.db2.gz KVZKBCUOMLTYGQ-ZDUSSCGKSA-N -1 0 378.211 3.734 1 0 GHAFRM Cc1cc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)cc(C)n1 ZINC000013832971 221291933 /nfs/dbraw/zinc/29/19/33/221291933.db2.gz VDIATEYEXGSXMS-UHFFFAOYSA-N -1 0 376.334 3.626 1 0 GHAFRM Cc1cc(-c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)cc(C)n1 ZINC000013832979 221291981 /nfs/dbraw/zinc/29/19/81/221291981.db2.gz LBCNYZHOMOROHU-UHFFFAOYSA-N -1 0 385.370 3.574 1 0 GHAFRM CC(C)c1ccc2c(c1)c(CC(=O)[O-])nn(Cc1nc3ccccc3s1)c2=O ZINC000013860800 221292348 /nfs/dbraw/zinc/29/23/48/221292348.db2.gz FMNLOYUWJUCGTM-UHFFFAOYSA-N -1 0 393.468 3.805 1 0 GHAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Cl ZINC000013815566 221290955 /nfs/dbraw/zinc/29/09/55/221290955.db2.gz WTINQQTUVWDWMI-UHFFFAOYSA-N -1 0 397.865 3.751 1 0 GHAFRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000064696262 222078984 /nfs/dbraw/zinc/07/89/84/222078984.db2.gz KEEWNCGXRMKJTQ-UHFFFAOYSA-N -1 0 385.272 3.987 1 0 GHAFRM CC(C)(C)c1cc(NC(=O)Nc2nccs2)n(-c2ccc(CC(=O)[O-])cc2)n1 ZINC000066156453 222138488 /nfs/dbraw/zinc/13/84/88/222138488.db2.gz RBPOVRMRESQJOZ-UHFFFAOYSA-N -1 0 399.476 3.897 1 0 in-vitro GHAFRM O=C1[N-]C(=O)[C@@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C2CCCC2)O1 ZINC000071341851 222182879 /nfs/dbraw/zinc/18/28/79/222182879.db2.gz XINPLYPMSJXXJN-QHCPKHFHSA-N -1 0 388.423 3.847 1 0 GHAFRM Nc1c(F)c(NC2CCCCC2)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1 ZINC000072126923 222208157 /nfs/dbraw/zinc/20/81/57/222208157.db2.gz RYLBSGNDNAGBCH-UHFFFAOYSA-N -1 0 377.391 3.640 1 0 GHAFRM O=C([O-])CCc1c[nH]c2c1cccc2-c1noc(-c2ccc3c(c2)OCCO3)n1 ZINC000084617279 222317413 /nfs/dbraw/zinc/31/74/13/222317413.db2.gz IWDZPIVYFOLEFD-UHFFFAOYSA-N -1 0 391.383 3.673 1 0 GHAFRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C/c1c2ccccn2nc1-c1ccccc1 ZINC000000605913 212143099 /nfs/dbraw/zinc/14/30/99/212143099.db2.gz UWTYIJJJSYDUQM-QFQMRYFISA-N -1 0 389.455 3.870 1 0 GHAFRM Cc1nnc2n1-c1sc(-c3cc(=O)[nH][n-]3)cc1C(c1ccccc1Cl)=NC2 ZINC000013821406 221290657 /nfs/dbraw/zinc/29/06/57/221290657.db2.gz ZVAGYNZXFGWJDJ-UHFFFAOYSA-N -1 0 396.863 3.737 1 0 GHAFRM COc1c(C)cc2c(C(=S)N(C)CC(=O)[O-])cccc2c1Br ZINC000013823556 221290812 /nfs/dbraw/zinc/29/08/12/221290812.db2.gz JRTVZMLKFMHYMP-UHFFFAOYSA-N -1 0 382.279 3.611 1 0 GHAFRM COc1ccc(N2C(=O)/C(=C/c3cc(F)c([O-])c(Cl)c3)OC2=S)cc1 ZINC000084633746 222317703 /nfs/dbraw/zinc/31/77/03/222317703.db2.gz HNDBCJNUEPMFSJ-ZSOIEALJSA-N -1 0 379.796 3.883 1 0 GHAFRM CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)N[C@@H](CO)C(=O)[O-])[C@@H]2CC1 ZINC000096901076 222429220 /nfs/dbraw/zinc/42/92/20/222429220.db2.gz ZKXDPQFXFWDHLD-LYHQQNOOSA-N -1 0 389.536 3.683 1 0 GHAFRM CC/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000100770534 571813084 /nfs/dbraw/zinc/81/30/84/571813084.db2.gz MBWYKQQOOVDDJT-ADYKAQPASA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC(C)=CCC[C@](C)(O)[C@H]1CC[C@](C)([C@@H]2Oc3ccc(C(=O)[O-])cc3[C@@H]2O)O1 ZINC000095912669 291131075 /nfs/dbraw/zinc/13/10/75/291131075.db2.gz AHRZORVBGMPHFA-BZEYQNPTSA-N -1 0 390.476 3.614 1 0 biogenic,in-vitro GHAFRM [O-]c1c(Br)cc([C@H]2NC(c3ccccc3)=NO2)cc1Br ZINC000013110675 221261585 /nfs/dbraw/zinc/26/15/85/221261585.db2.gz CJSBBECUJITPTA-AWEZNQCLSA-N -1 0 398.054 3.897 3 0 GHAFRM CCCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000049808299 222002108 /nfs/dbraw/zinc/00/21/08/222002108.db2.gz USZCECBAQAQMSU-NQIIRXRSSA-N -1 0 378.428 3.601 1 0 GHAFRM CCCCCN1c2ccccc2[C@@](CC(=O)[O-])(c2ccc3c(c2)OCO3)C1=O ZINC000071341192 222184369 /nfs/dbraw/zinc/18/43/69/222184369.db2.gz ZWYNIVUTOLSLTD-JOCHJYFZSA-N -1 0 381.428 3.713 1 0 GHAFRM COc1ccc(C(C)=O)cc1CSc1nc2c(cccc2F)n1CC(=O)[O-] ZINC000084757355 222322041 /nfs/dbraw/zinc/32/20/41/222322041.db2.gz CUNBAWSLGFAXEV-UHFFFAOYSA-N -1 0 388.420 3.764 1 0 GHAFRM CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCCC(=O)[O-] ZINC000169622201 222537204 /nfs/dbraw/zinc/53/72/04/222537204.db2.gz ZCTAOAWRUXSOQF-ZMSLKFHVSA-N -1 0 382.541 3.823 1 0 GHAFRM CC(C)N(Cc1ccccc1)c1nc(=O)[n-]c(Nc2ccc3ncsc3c2)n1 ZINC000008582022 581094006 /nfs/dbraw/zinc/09/40/06/581094006.db2.gz AODUHZPEXFCKHF-UHFFFAOYSA-N -1 0 392.488 3.933 1 0 GHAFRM CC(C)=CCc1c2c(c(O)c(C(=O)c3ccccc3)c1[O-])C[C@H](C(C)(C)O)O2 ZINC000014883268 291131066 /nfs/dbraw/zinc/13/10/66/291131066.db2.gz CPSYTNBTYGUYDI-QGZVFWFLSA-N -1 0 382.456 3.912 1 0 biogenic,in-vitro GHAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3nnco3)cc2)c1C ZINC000001487119 212247088 /nfs/dbraw/zinc/24/70/88/212247088.db2.gz UYEFZFPSIRPMNJ-UHFFFAOYSA-N -1 0 396.428 3.809 1 0 GHAFRM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c(C=O)c(C=O)cc1[O-])O2 ZINC000033753390 212160916 /nfs/dbraw/zinc/16/09/16/212160916.db2.gz WIGGVNIABVHHCS-NPPBVIRDSA-N -1 0 386.488 3.924 1 0 GHAFRM CCc1cccc(CC)c1Nc1nc2c(ccc3c2C(=O)[N-]C(=O)C3(C)C)[nH]1 ZINC000013475186 221269405 /nfs/dbraw/zinc/26/94/05/221269405.db2.gz APIWFJGMTYDZBT-UHFFFAOYSA-N -1 0 376.460 3.979 1 0 GHAFRM Cc1cc2snc(Cn3c4ccccc4n(CCC(=O)[O-])c3=O)c2c(C)c1 ZINC000072175962 222217458 /nfs/dbraw/zinc/21/74/58/222217458.db2.gz PURFUAGIJITRCK-UHFFFAOYSA-N -1 0 381.457 3.553 1 0 GHAFRM CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C\C/C=C\CCC(=O)[O-] ZINC000150373960 574419350 /nfs/dbraw/zinc/41/93/50/574419350.db2.gz ULILMUUUHYDFOW-YCGGEOJYSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM CC[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C\C/C=C\C/C=C\CCC(=O)[O-])C(=O)C[C@@H]1O ZINC000100770489 571813015 /nfs/dbraw/zinc/81/30/15/571813015.db2.gz BIHPRUQXOKWQGU-RXKRIKGGSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM Cc1cccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@@H]2C(=O)[O-])c1C ZINC000004992331 220806470 /nfs/dbraw/zinc/80/64/70/220806470.db2.gz XAESQUJABIWECC-HZPDHXFCSA-N -1 0 380.227 3.858 3 0 GHAFRM O=C([O-])[C@H]1C[C@H](NC(=O)Cc2cccs2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455268 221269255 /nfs/dbraw/zinc/26/92/55/221269255.db2.gz XQHVWRJSTNARSC-QWHCGFSZSA-N -1 0 385.272 3.724 1 0 GHAFRM CC(C)[C@@]1(c2cc(Cl)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)[N-]C1=O ZINC000071341859 222184097 /nfs/dbraw/zinc/18/40/97/222184097.db2.gz XOGLUALLZWNNSG-NRFANRHFSA-N -1 0 396.830 3.966 1 0 GHAFRM Cc1ccc(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000095562047 222354003 /nfs/dbraw/zinc/35/40/03/222354003.db2.gz AHELQCUNRPOHQJ-QFIPXVFZSA-N -1 0 389.451 4.000 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](NCC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455339 221268769 /nfs/dbraw/zinc/26/87/69/221268769.db2.gz NAQMVCHOBISLEV-DZGCQCFKSA-N -1 0 394.258 3.532 1 0 GHAFRM Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(O)c4)c3O)cc2n1 ZINC000014953820 221320968 /nfs/dbraw/zinc/32/09/68/221320968.db2.gz JCGSRQUEPXWCMM-UHFFFAOYSA-N -1 0 375.384 3.517 1 0 GHAFRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000064586064 222075209 /nfs/dbraw/zinc/07/52/09/222075209.db2.gz XRNQVMXHJDERIT-UHFFFAOYSA-N -1 0 385.272 3.987 1 0 GHAFRM CCC(=O)c1ccc(OCCCCOc2ccc(-c3nn[nH]n3)cc2)c(C)c1O ZINC000013582295 221275729 /nfs/dbraw/zinc/27/57/29/221275729.db2.gz SEGANYYDWCNERD-UHFFFAOYSA-N -1 0 396.447 3.711 1 0 GHAFRM O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000014946006 221319435 /nfs/dbraw/zinc/31/94/35/221319435.db2.gz LLELAEGDEATZFN-UHFFFAOYSA-N -1 0 383.618 3.832 1 0 GHAFRM CN1c2cc(C(=O)c3ccccc3)cc(C(=O)[O-])c2Nc2cccc(C(N)=O)c21 ZINC000103241592 136190968 /nfs/dbraw/zinc/19/09/68/136190968.db2.gz SSAJHBRDLPTZLZ-UHFFFAOYSA-N -1 0 387.395 3.540 1 0 GHAFRM COc1ccc(CCC(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652291 221680982 /nfs/dbraw/zinc/68/09/82/221680982.db2.gz WCPLNTGZZYRVIT-UHFFFAOYSA-N -1 0 381.350 3.661 1 0 GHAFRM O=c1c2c([O-])nsc2n(C2CC2)c2cc(-c3ccc(CO)cc3)c(F)cc12 ZINC000028572047 221681563 /nfs/dbraw/zinc/68/15/63/221681563.db2.gz YCVBALOHZCSOAU-UHFFFAOYSA-N -1 0 382.416 3.950 1 0 GHAFRM CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)N[C@H](CO)C(=O)[O-])[C@@H]2CC1 ZINC000058549939 222053989 /nfs/dbraw/zinc/05/39/89/222053989.db2.gz ZKXDPQFXFWDHLD-CZHOHAKKSA-N -1 0 389.536 3.683 1 0 GHAFRM CC[C@@H]1C=C(C(=O)[O-])[C@H](c2cccc(C)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947020 222064713 /nfs/dbraw/zinc/06/47/13/222064713.db2.gz JAOYRAZLMMCKKL-XLIONFOSSA-N -1 0 385.485 3.839 3 0 GHAFRM CC(=O)c1c[nH]c2ncc(-c3cncc([N-]S(=O)(=O)c4ccccc4)c3)cc12 ZINC000064559738 222074360 /nfs/dbraw/zinc/07/43/60/222074360.db2.gz JOSKZPAMEAHKKA-UHFFFAOYSA-N -1 0 392.440 3.628 1 0 GHAFRM CC/C=C\C/C=C\C/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCC(=O)[O-] ZINC000100770505 571812895 /nfs/dbraw/zinc/81/28/95/571812895.db2.gz IDXBOXWUWDDSSX-WEQGLFOWSA-N -1 0 376.493 3.583 1 0 endogenous,in-man GHAFRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000627496 212165734 /nfs/dbraw/zinc/16/57/34/212165734.db2.gz LUYOGBJYMJKPGR-JKSUJKDBSA-N -1 0 384.407 3.908 3 0 GHAFRM O=C([O-])[C@H]1C[C@H](NC(=O)Cc2ccsc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455265 221268832 /nfs/dbraw/zinc/26/88/32/221268832.db2.gz RGNRIMFSKMOPJP-QWHCGFSZSA-N -1 0 385.272 3.724 1 0 GHAFRM O=C([O-])[C@H]1C[C@H](N2Cc3ccccc3CC2=O)c2c(Cl)cc(Cl)cc2N1 ZINC000013455362 221268968 /nfs/dbraw/zinc/26/89/68/221268968.db2.gz JTBZTAAONTZFHD-CVEARBPZSA-N -1 0 391.254 3.888 1 0 GHAFRM O=C([O-])CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NC1CCCCCCC1 ZINC000027214898 221650936 /nfs/dbraw/zinc/65/09/36/221650936.db2.gz QHKWOTFRZJWVNH-KRWDZBQOSA-N -1 0 394.899 3.532 1 0 GHAFRM O=c1c2ccccc2c(S(=O)(=O)c2ccccc2)c([O-])n1Cc1ccccc1 ZINC000036126895 221845416 /nfs/dbraw/zinc/84/54/16/221845416.db2.gz HCLDEAKINXYGOQ-UHFFFAOYSA-N -1 0 391.448 3.588 1 0 GHAFRM O=C([O-])c1ccnn1Cc1cc(Br)ccc1OCc1ccccc1 ZINC000040568475 221926993 /nfs/dbraw/zinc/92/69/93/221926993.db2.gz OLYFTVHLRHYLCV-UHFFFAOYSA-N -1 0 387.233 3.971 1 0 GHAFRM O=C1CCCC[C@@H]1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000040879147 221933046 /nfs/dbraw/zinc/93/30/46/221933046.db2.gz FFBKYDRHWNQOJN-LBPRGKRZSA-N -1 0 389.317 3.978 1 0 GHAFRM COc1ccc(C(C)=O)cc1CSc1nc2ccc(F)cc2n1CC(=O)[O-] ZINC000084757357 222321427 /nfs/dbraw/zinc/32/14/27/222321427.db2.gz FIQAQEPQHPAJJF-UHFFFAOYSA-N -1 0 388.420 3.764 1 0 GHAFRM CO[C@@](C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)[O-] ZINC000034575834 581099657 /nfs/dbraw/zinc/09/96/57/581099657.db2.gz HLEQAMRJYWQJCX-QFIPXVFZSA-N -1 0 396.443 3.699 1 0 GHAFRM COC(=O)[C@H](Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)[O-] ZINC000027104994 581099675 /nfs/dbraw/zinc/09/96/75/581099675.db2.gz LOVYDWZWMHVHLJ-OAQYLSRUSA-N -1 0 394.423 3.714 1 0 GHAFRM O=C1C=C([O-])C=C2OC(c3ccc(O)c(Cc4ccccc4)c3)C(=O)C(O)=C12 ZINC000085569505 291134648 /nfs/dbraw/zinc/13/46/48/291134648.db2.gz TVEOXXNLBCINJB-UHFFFAOYSA-N -1 0 376.364 3.873 1 0 biogenic,in-vitro GHAFRM COC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473431 221269367 /nfs/dbraw/zinc/26/93/67/221269367.db2.gz FWZUEGTXKCZRSX-LJQANCHMSA-N -1 0 384.384 3.778 1 0 GHAFRM COc1ccncc1-c1cc2c(cc1F)c(=O)c1c([O-])nsc1n2C1CC1 ZINC000028572109 221680961 /nfs/dbraw/zinc/68/09/61/221680961.db2.gz NAHKJYKGOJFNHP-UHFFFAOYSA-N -1 0 383.404 3.861 1 0 GHAFRM Cc1ccnc([N-]S(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)c1 ZINC000035967738 221836275 /nfs/dbraw/zinc/83/62/75/221836275.db2.gz PRBJUDQWNXOQKR-UHFFFAOYSA-N -1 0 387.511 3.951 1 0 GHAFRM C[C@]1(c2ccc(O)cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000138765619 222527977 /nfs/dbraw/zinc/52/79/77/222527977.db2.gz XJUWLFHSJICRME-GOSISDBHSA-N -1 0 381.211 3.859 1 0 GHAFRM