CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)C=C(C)C ZINC000000639791 17/85/22/560178522 YTLKDGZSNPIHNO-UXHICEINSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)C=C(C)C in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O ZINC000000898337 17/91/88/560179188 LYUZYPKZQDYMEE-NXIDYTHLSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O in-vitro biogenic COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)O ZINC000001485315 18/06/85/560180685 CAXGJVQIPWBEJY-UHFFFAOYSA-N -1 382.752 GG 3.345 1 Anodyne mid GGAAMM COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)[O-] in-vitro biogenic COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)O ZINC000001485315 18/06/84/560180684 CAXGJVQIPWBEJY-UHFFFAOYSA-N -2 382.752 GG 3.345 0 Anodyne ref GGAARL COC(=O)c1cc(OC)c(Cl)c([O-])c1Oc1cc(C)cc(O)c1C(=O)[O-] in-vitro biogenic COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC ZINC000001614079 38/67/90/206386790 DOFJNFPSMUCECH-UHFFFAOYSA-N -1 388.372 GG 3.209 3 Anodyne high GGAAHM COc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)c(OC)c3o2)cc1OC in-man endogenous COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC ZINC000001614079 38/67/86/206386786 DOFJNFPSMUCECH-UHFFFAOYSA-N -1 388.372 GG 3.209 3 Anodyne high GGAAHM COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)c(OC)c-3o2)cc1OC in-man endogenous COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC ZINC000001614079 38/67/78/206386778 DOFJNFPSMUCECH-UHFFFAOYSA-N 0 388.372 GG 3.209 0 Anodyne ref GGAARN COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC in-man endogenous CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C=C(C)C ZINC000002040493 34/39/26/209343926 FNVCLGWRMXTDSM-WOJBJXKFSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)C=C(C)C in-vitro biogenic CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]12O[C@H]2c1ccccc1 ZINC000003652996 66/32/26/220663226 TWDKBDSVUUKABK-GBXCKJPGSA-N 0 395.418 GG 3.396 0 Mild ref GGEARN CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]12O[C@H]2c1ccccc1 in-vitro biogenic COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)c(Cl)c(O)c1C(=O)O ZINC000003782652 18/93/89/560189389 XKKQZJGDCFDION-UHFFFAOYSA-N -1 382.752 GG 3.345 0 Anodyne ref GGAARM COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)c(Cl)c(O)c1C(=O)[O-] in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O ZINC000004081606 02/68/31/204026831 LYUZYPKZQDYMEE-YRCPKEQFSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000004081928 19/33/43/560193343 WVPPLOSRTXOZAP-DFXOCPFWSA-N 0 394.508 GG 3.161 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O ZINC000004146828 19/72/01/560197201 LYUZYPKZQDYMEE-CIRUDOSSSA-N 0 386.4 GG 3.446 0 Anodyne ref GGABRN C/C=C(/C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O ZINC000004146830 19/71/72/560197172 LYUZYPKZQDYMEE-JZWAJAMXSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(C)=O in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000008829476 21/09/76/560210976 XGPBRZDOJDLKOT-YRCPKEQFSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 ZINC000013374559 21/55/29/560215529 JWPAJVNQGTWPMI-WSVYEEACSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@H]1OC=C[C@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 ZINC000013374559 21/55/28/560215528 JWPAJVNQGTWPMI-WSVYEEACSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@H]1OC=C[C@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 ZINC000013374559 21/55/27/560215527 JWPAJVNQGTWPMI-WSVYEEACSA-N 0 396.395 GG 3.407 0 Bother ref GGBARN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 ZINC000013374560 21/54/32/560215432 JWPAJVNQGTWPMI-MQJDWESPSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@@H]1OC=C[C@@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 ZINC000013374560 21/54/30/560215430 JWPAJVNQGTWPMI-MQJDWESPSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@@H]1OC=C[C@@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 ZINC000013374560 21/54/29/560215429 JWPAJVNQGTWPMI-MQJDWESPSA-N 0 396.395 GG 3.407 0 Bother ref GGBARN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@H]41 ZINC000013374563 21/54/75/560215475 JWPAJVNQGTWPMI-FIKIJFGZSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@@H]1OC=C[C@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@H]41 ZINC000013374563 21/54/72/560215472 JWPAJVNQGTWPMI-FIKIJFGZSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@@H]1OC=C[C@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@H]41 ZINC000013374563 21/54/71/560215471 JWPAJVNQGTWPMI-FIKIJFGZSA-N 0 396.395 GG 3.407 0 Bother ref GGBARN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@H]41 in-vitro biogenic COc1ccc([C@@]2(O)c3c(ccc(CC=C(C)C)c3O)NC(=O)[C@@H]2OC)cc1 ZINC000013660211 22/00/88/560220088 ZRZQXSGEIJXJEO-RBBKRZOGSA-N 0 383.444 GG 3.113 0 Anodyne ref GGAARN COc1ccc([C@@]2(O)c3c(ccc(CC=C(C)C)c3O)NC(=O)[C@@H]2OC)cc1 in-vitro biogenic CC1=C[C@H](C[C@@]2(C)O[C@@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000014516849 22/23/70/560222370 CISFAPDYRQPRCZ-VTJXTGGHSA-N 0 382.368 GG 3.337 0 Anodyne ref GGAARN CC1=C[C@H](C[C@@]2(C)O[C@@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O in-vitro biogenic CC1=C[C@H](C[C@]2(C)O[C@@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000014516854 31/05/32/221310532 CISFAPDYRQPRCZ-PZPWOCDFSA-N 0 382.368 GG 3.337 0 Anodyne ref GGAARN CC1=C[C@H](C[C@]2(C)O[C@@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O in-vitro biogenic C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 ZINC000014594464 22/28/06/560222806 VRWFEVIVOZKBJA-BDNZGDGKSA-N -1 396.395 GG 3.077 3 Mild high GGEAHM C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc([O-])cc3OC)C(=O)C2=CO1 in-vitro biogenic C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 ZINC000014594464 22/28/05/560222805 VRWFEVIVOZKBJA-BDNZGDGKSA-N 0 396.395 GG 3.077 0 Mild ref GGEARN C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 in-vitro biogenic C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 ZINC000014594465 31/23/38/221312338 VRWFEVIVOZKBJA-IOUFHMPJSA-N -1 396.395 GG 3.077 3 Mild high GGEAHM C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc([O-])cc3OC)C(=O)C2=CO1 in-vitro biogenic C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 ZINC000014594465 31/23/34/221312334 VRWFEVIVOZKBJA-IOUFHMPJSA-N 0 396.395 GG 3.077 0 Mild ref GGEARN C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 in-vitro biogenic COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)O ZINC000014618673 79/19/90/208791990 BIIZWIKNPOIDLS-UHFFFAOYSA-N -1 382.752 GG 3.345 0 Anodyne ref GGAARM COC(=O)c1cc(O)cc(OC)c1Oc1c(Cl)c(C)cc(O)c1C(=O)[O-] in-vitro biogenic CC(=O)N[C@@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C)C(C)C ZINC000014683780 22/43/43/560224343 NEMKJBVVPNFVCU-VDVULAQNSA-N 0 391.508 GG 3.149 0 Anodyne ref GGAARN CC(=O)N[C@@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CCC3=C(COC3=O)[C@@]12C)C(C)C in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41 ZINC000014858282 22/72/63/560227263 JWPAJVNQGTWPMI-WIUDPPPLSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc([O-])c2c([O-])c3c(=O)c4c(cc-3oc12)O[C@H]1OC=C[C@@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41 ZINC000014858282 22/72/61/560227261 JWPAJVNQGTWPMI-WIUDPPPLSA-N -2 396.395 GG 3.407 3 Bother high GGBAHL CC(C)(O)CCc1ccc(=O)c2c([O-])c3c([O-])c4c(cc3oc1-2)O[C@H]1OC=C[C@@H]41 in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41 ZINC000014858282 22/72/59/560227259 JWPAJVNQGTWPMI-WIUDPPPLSA-N 0 396.395 GG 3.407 0 Bother ref GGBARN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41 in-vitro biogenic C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000028001680 09/17/30/560091730 BIBMODCOJDZAGU-UFVLLNNXSA-N 0 388.504 GG 3.439 0 Anodyne ref GGAARN C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 in-vitro biogenic C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000031155934 09/06/47/560090647 VYUGROORELIDOB-MOHQOPMHSA-N 0 390.52 GG 3.075 0 Anodyne ref GGAARN C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(CO)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000031156201 09/06/34/560090634 XGPBRZDOJDLKOT-CIRUDOSSSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000031156206 09/06/31/560090631 XGPBRZDOJDLKOT-NXIDYTHLSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000031156210 09/06/46/560090646 XGPBRZDOJDLKOT-JZWAJAMXSA-N 0 386.4 GG 3.446 0 Anodyne ref GGAARN C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C in-vitro biogenic COc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1c(O)cc(O)cc1C(=O)O ZINC000031158126 38/71/77/564387177 WTLZPZUWOZQDLR-UHFFFAOYSA-N -4 387.171 GG 3.356 3 Anodyne high GGAAHL COc1c(Cl)c(C)c(Cl)c([O-])c1C(=O)c1c([O-])cc([O-])cc1C(=O)[O-] in-vitro biogenic COc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1c(O)cc(O)cc1C(=O)O ZINC000031158126 38/71/74/564387174 WTLZPZUWOZQDLR-UHFFFAOYSA-N -2 387.171 GG 3.356 1 Anodyne mid GGAAML COc1c(Cl)c(C)c(Cl)c([O-])c1C(=O)c1c(O)cc(O)cc1C(=O)[O-] in-vitro biogenic COc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1c(O)cc(O)cc1C(=O)O ZINC000031158126 38/71/69/564387169 WTLZPZUWOZQDLR-UHFFFAOYSA-N -3 387.171 GG 3.356 0 Anodyne ref GGAARL COc1c(Cl)c(C)c(Cl)c([O-])c1C(=O)c1c([O-])cc(O)cc1C(=O)[O-] in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000031165431 09/03/10/560090310 XMWOVKVFIVCVPN-GJZFIBMSSA-N -1 392.492 GG 3.289 0 Reactive ref GGGBRM CC(=O)OC/C(=C/C(=O)[O-])CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C in-vitro biogenic CC1=C[C@H](C[C@@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000035454946 08/13/49/560081349 CISFAPDYRQPRCZ-LRAJWGHMSA-N 0 382.368 GG 3.337 0 Anodyne ref GGAARN CC1=C[C@H](C[C@@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O in-vitro biogenic CC1=C[C@@H](C[C@@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000035454951 22/79/86/204227986 CISFAPDYRQPRCZ-VFCRVFHLSA-N 0 382.368 GG 3.337 0 Anodyne ref GGABRN CC1=C[C@@H](C[C@@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O in-vitro biogenic CC1=C[C@H](C[C@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000035454955 69/78/50/206697850 CISFAPDYRQPRCZ-WIEQDCTASA-N 0 382.368 GG 3.337 0 Anodyne ref GGAARN CC1=C[C@H](C[C@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O in-vitro biogenic CC1=C[C@@H](C[C@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000035454959 08/13/33/560081333 CISFAPDYRQPRCZ-GXZWQRSESA-N 0 382.368 GG 3.337 0 Anodyne ref GGABRN CC1=C[C@@H](C[C@]2(C)O[C@H]2COc2c3occc3cc3ccc(=O)oc23)OC1=O in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C ZINC000035459160 08/16/04/560081604 XMWOVKVFIVCVPN-PTTANNEESA-N -1 392.492 GG 3.289 0 Reactive ref GGGBRM CC(=O)OC/C(=C/C(=O)[O-])CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000035459163 49/13/39/207491339 XMWOVKVFIVCVPN-QLKBLTRMSA-N -1 392.492 GG 3.289 0 Reactive ref GGGBRM CC(=O)OC/C(=C/C(=O)[O-])CC[C@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]12C ZINC000035459166 08/16/09/560081609 XMWOVKVFIVCVPN-QVVCDMCISA-N -1 392.492 GG 3.289 0 Reactive ref GGGBRM CC(=O)OC/C(=C/C(=O)[O-])CC[C@@H]1C(C=O)=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]12C in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@H]1C(C=O)=C[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000035459169 49/05/79/207490579 XMWOVKVFIVCVPN-ILJFJWFISA-N -1 392.492 GG 3.289 0 Reactive ref GGGBRM CC(=O)OC/C(=C/C(=O)[O-])CC[C@H]1C(C=O)=C[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C in-vitro biogenic C/C(=C\Cc1cc(C(=O)O)cc(CC[C@H](C)C(=O)/C=C/C(C)(C)O)c1O)CO ZINC000049181256 43/73/35/518437335 MQIPJISWCOTCGQ-UTOKCAKISA-N -1 390.476 GG 3.036 0 Mild ref GGEBRM C/C(=C\Cc1cc(C(=O)[O-])cc(CC[C@H](C)C(=O)/C=C/C(C)(C)O)c1O)CO in-vitro biogenic C/C(=C\Cc1cc(C(=O)O)cc(CC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1O)CO ZINC000049181259 43/74/15/518437415 MQIPJISWCOTCGQ-OJLBGTQHSA-N -1 390.476 GG 3.036 0 Mild ref GGEBRM C/C(=C\Cc1cc(C(=O)[O-])cc(CC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1O)CO in-vitro biogenic COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 ZINC000067913455 38/00/45/207380045 YBVIOLRRXMAGAE-SMDDNHRTSA-N 0 390.388 GG 3.045 0 Anodyne ref GGAARN COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 in-vitro biogenic COc1cc2c(c(OC)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 ZINC000067913457 04/93/49/560049349 YBVIOLRRXMAGAE-BXUZGUMPSA-N 0 390.388 GG 3.045 0 Anodyne ref GGAARN COc1cc2c(c(OC)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@H]21 in-vitro biogenic COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 ZINC000067913459 16/75/18/222167518 YBVIOLRRXMAGAE-FZMZJTMJSA-N 0 390.388 GG 3.045 0 Anodyne ref GGAARN COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 in-vitro biogenic COc1cc2c(c(OC)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 ZINC000067913461 04/93/46/560049346 YBVIOLRRXMAGAE-RISCZKNCSA-N 0 390.388 GG 3.045 0 Anodyne ref GGAARN COc1cc2c(c(OC)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21 in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C ZINC000225097252 79/06/53/203790653 XMWOVKVFIVCVPN-FGDXWPTESA-N -1 392.492 GG 3.289 0 Reactive ref GGGBRM CC(=O)OC/C(=C/C(=O)[O-])CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C in-vitro biogenic COc1cc(O)c(C(=O)O[C@H](C)CCCC(=O)O)c(/C=C/CCC(=O)O)c1 ZINC000225413640 95/04/70/208950470 MCUNKRJPMLTYCD-QDBLGGKGSA-N -2 380.393 GG 3.079 0 Anodyne ref GGAARL COc1cc(O)c(C(=O)O[C@H](C)CCCC(=O)[O-])c(/C=C/CCC(=O)[O-])c1 in-vitro biogenic COc1cc(O)c(C(=O)O[C@@H](C)CCCC(=O)O)c(/C=C/CCC(=O)O)c1 ZINC000225413681 89/49/66/211894966 MCUNKRJPMLTYCD-QBODLPLBSA-N -2 380.393 GG 3.079 0 Anodyne ref GGAARL COc1cc(O)c(C(=O)O[C@@H](C)CCCC(=O)[O-])c(/C=C/CCC(=O)[O-])c1 in-vitro biogenic C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)C(C)C)[C@H]12 ZINC000225452336 04/34/98/560043498 XHBHYMSLBWDFRZ-ZLKDORHNSA-N 0 378.465 GG 3.352 0 Mild ref GGEARN C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)C(C)C)[C@H]12 in-vitro biogenic CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@H]3[C@]21C)C(C)C ZINC000230077322 03/60/81/560036081 HZCZALMQVYCUGC-KHMJWOOKSA-N 0 391.508 GG 3.005 0 Anodyne ref GGAARN CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@H]3[C@]21C)C(C)C in-vitro biogenic C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](OC(C)=O)[C@@H](O)[C@]2(C)O1 ZINC000247999504 03/67/91/560036791 CTWGHMFXWBBNSE-CSZLWUPKSA-N 0 380.525 GG 3.226 0 Mild ref GGEBRN C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](OC(C)=O)[C@@H](O)[C@]2(C)O1 in-vitro biogenic C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]12C ZINC000247999508 03/67/97/560036797 CTWGHMFXWBBNSE-KBNKSHJOSA-N 0 380.525 GG 3.226 0 Mild ref GGEBRN C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]12C in-vitro biogenic C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]12C ZINC000247999512 03/67/93/560036793 CTWGHMFXWBBNSE-MVODSKTCSA-N 0 380.525 GG 3.226 0 Mild ref GGEBRN C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]12C in-vitro biogenic C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](OC(C)=O)[C@H](O)[C@]2(C)O1 ZINC000247999516 03/67/96/560036796 CTWGHMFXWBBNSE-SBOBDLCGSA-N 0 380.525 GG 3.226 0 Mild ref GGEBRN C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](OC(C)=O)[C@H](O)[C@]2(C)O1 in-vitro biogenic CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@@]21C)C(C)C ZINC000252679112 13/37/64/212133764 HZCZALMQVYCUGC-ARNOYJHMSA-N 0 391.508 GG 3.005 0 Anodyne ref GGABRN CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@@]21C)C(C)C in-vitro biogenic CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@H]3[C@@]21C)C(C)C ZINC000252679113 13/48/11/212134811 HZCZALMQVYCUGC-QSAVSUGSSA-N 0 391.508 GG 3.005 0 Anodyne ref GGABRN CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@H]3[C@@]21C)C(C)C in-vitro biogenic CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@]21C)C(C)C ZINC000252679114 21/73/45/209217345 HZCZALMQVYCUGC-ZLWMKHSHSA-N 0 391.508 GG 3.005 0 Anodyne ref GGABRN CC(=O)N[C@H](C(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@]21C)C(C)C in-vitro biogenic CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000253389702 03/91/52/560039152 XMWOVKVFIVCVPN-CAPISLKDSA-N -1 392.492 GG 3.289 0 Reactive ref GGGERM CC(=O)OC/C(=C/C(=O)[O-])CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C COC(=O)c1c(C)c(Oc2cc(C)cc(OC)c2CO)c(O)c(C)c1OC ZINC000514287963 03/56/72/560035672 SOVSKVXZNXFCPI-UHFFFAOYSA-N -1 376.405 GG 3.406 3 Anodyne high GGAAHM COC(=O)c1c(C)c(Oc2cc(C)cc(OC)c2CO)c([O-])c(C)c1OC in-vitro biogenic COC(=O)c1c(C)c(Oc2cc(C)cc(OC)c2CO)c(O)c(C)c1OC ZINC000514287963 03/56/70/560035670 SOVSKVXZNXFCPI-UHFFFAOYSA-N 0 376.405 GG 3.406 0 Anodyne ref GGAARN COC(=O)c1c(C)c(Oc2cc(C)cc(OC)c2CO)c(O)c(C)c1OC in-vitro biogenic C=C[C@]1(C)[C@H](C(C)(C)C(=O)O)C[C@H](O)[C@]2(C)OC3=C(C[C@@H]21)C(=O)C[C@@H](C)O3 ZINC000514288249 03/52/63/560035263 YEXGHUFFSUBLPG-HNULCOLQSA-N -1 378.465 GG 3.055 0 Mild ref GGEARM C=C[C@]1(C)[C@H](C(C)(C)C(=O)[O-])C[C@H](O)[C@]2(C)OC3=C(C[C@@H]21)C(=O)C[C@@H](C)O3 in-vitro biogenic C=C[C@]1(C)[C@H](C(C)(C)C(=O)O)C[C@H](O)[C@]2(C)OC3=C(C[C@@H]21)C(=O)C[C@H](C)O3 ZINC000514288250 03/52/14/560035214 YEXGHUFFSUBLPG-KDOXWVHGSA-N -1 378.465 GG 3.055 0 Mild ref GGEARM C=C[C@]1(C)[C@H](C(C)(C)C(=O)[O-])C[C@H](O)[C@]2(C)OC3=C(C[C@@H]21)C(=O)C[C@H](C)O3 in-vitro biogenic C=C[C@@]1(C)[C@@H]2CC3=C(O[C@@H](C)CC3=O)O[C@@]2(C)[C@@H](O)C[C@H]1C(C)(C)C(=O)O ZINC000514288251 03/52/65/560035265 YEXGHUFFSUBLPG-MSINEJRASA-N -1 378.465 GG 3.055 0 Mild ref GGEARM C=C[C@@]1(C)[C@@H]2CC3=C(O[C@@H](C)CC3=O)O[C@@]2(C)[C@@H](O)C[C@H]1C(C)(C)C(=O)[O-] in-vitro biogenic C=C[C@@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)[C@@H](O)C[C@H]1C(C)(C)C(=O)O ZINC000514288252 03/52/41/560035241 YEXGHUFFSUBLPG-XSEYRVGKSA-N -1 378.465 GG 3.055 0 Mild ref GGEARM C=C[C@@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)[C@@H](O)C[C@H]1C(C)(C)C(=O)[O-] in-vitro biogenic C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)CC[C@]1(O)C(C)(C)C(=O)O ZINC000514288269 03/52/38/560035238 ZXBQGLGAJLTEDZ-DJBGBVRJSA-N -1 378.465 GG 3.199 0 Mild ref GGEARM C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)CC[C@]1(O)C(C)(C)C(=O)[O-] in-vitro biogenic C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@]2(C)CC[C@]1(O)C(C)(C)C(=O)O ZINC000514288270 03/52/16/560035216 ZXBQGLGAJLTEDZ-HWGMFFOMSA-N -1 378.465 GG 3.199 0 Mild ref GGEARM C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@]2(C)CC[C@]1(O)C(C)(C)C(=O)[O-] in-vitro biogenic C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@]2(C)CC[C@@]1(O)C(C)(C)C(=O)O ZINC000514288271 03/52/28/560035228 ZXBQGLGAJLTEDZ-OVSHCGGKSA-N -1 378.465 GG 3.199 0 Mild ref GGEARM C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@]2(C)CC[C@@]1(O)C(C)(C)C(=O)[O-] in-vitro biogenic C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)CC[C@@]1(O)C(C)(C)C(=O)O ZINC000514288272 03/52/21/560035221 ZXBQGLGAJLTEDZ-RMNCOZFSSA-N -1 378.465 GG 3.199 0 Mild ref GGEARM C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)CC[C@@]1(O)C(C)(C)C(=O)[O-] in-vitro biogenic COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 ZINC000604379906 35/18/39/570351839 TZZLSFDQMRMADF-JPCHKZQCSA-N 0 376.449 GG 3.266 0 Clean ref GGCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 ZINC000604379907 35/18/43/570351843 TZZLSFDQMRMADF-NFQYFHPZSA-N 0 376.449 GG 3.266 0 Clean ref GGCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 ZINC000604379908 35/18/32/570351832 TZZLSFDQMRMADF-UTQVJTIVSA-N 0 376.449 GG 3.266 0 Clean ref GGCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 ZINC000604379909 35/18/17/570351817 TZZLSFDQMRMADF-XXLATIFVSA-N 0 376.449 GG 3.266 0 Clean ref GGCBRN COc1c(C(C)C)c(O)c(O)c2c1[C@@H](O)[C@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13