COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	ZINC000001069090	29/67/37/209296737	RRKTZKIUPZVBMF-IBTVXLQLSA-N	0	394.471	GE	2.11	3	Anodyne	high	GEAAHN	COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	investigational biogenic
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	ZINC000001069090	29/67/36/209296736	RRKTZKIUPZVBMF-IBTVXLQLSA-N	1	394.471	GE	2.11	1	Anodyne	mid	GEAAMO	COc1cc2c(cc1OC)[C@@]13CC[N@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	investigational biogenic
COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	ZINC000001069090	29/67/29/209296729	RRKTZKIUPZVBMF-IBTVXLQLSA-N	1	394.471	GE	2.11	0	Anodyne	ref	GEAARO	COc1cc2c(cc1OC)[C@@]13CC[N@@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	investigational biogenic
C/C=C(\C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000014589883	31/24/11/221312411	GFMYIOGFYYHKLA-OEQDPHDDSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(\C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C/C=C(\C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000014589884	31/23/65/221312365	GFMYIOGFYYHKLA-GCYIJFDNSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(\C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C/C=C(\C)C(=O)O[C@@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000014589885	79/02/02/208790202	GFMYIOGFYYHKLA-ZRKIHGRPSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(\C)C(=O)O[C@@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C/C=C(\C)C(=O)O[C@@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000014589886	31/17/85/221311785	GFMYIOGFYYHKLA-DVUPZSMESA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(\C)C(=O)O[C@@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C/c4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000014687876	16/65/91/209166591	SPWSUFUPTSJWNG-JJUKSXGLSA-N	1	389.459	GE	2.383	2	Mild	low	GEEALO	C=CC(C)(C)[C@@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	in-man endogenous
C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C/c4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000014687876	16/65/86/209166586	SPWSUFUPTSJWNG-JJUKSXGLSA-N	0	389.459	GE	2.383	0	Mild	ref	GEEARN	C=CC(C)(C)[C@@]12C[C@H]3C(=O)NC(=Cc4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12	in-man endogenous
C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723274	31/50/24/221315024	HNVJWWBKFFDQAA-DAYKGMGPSA-N	-1	386.4	GE	2.298	3	Mild	high	GEEBHM	C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc([O-])cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723274	31/50/20/221315020	HNVJWWBKFFDQAA-DAYKGMGPSA-N	0	386.4	GE	2.298	0	Mild	ref	GEEBRN	C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723276	70/71/08/211707108	HNVJWWBKFFDQAA-CFYHUVDUSA-N	-1	386.4	GE	2.298	3	Mild	high	GEEAHM	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc([O-])cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723276	70/71/05/211707105	HNVJWWBKFFDQAA-CFYHUVDUSA-N	0	386.4	GE	2.298	0	Mild	ref	GEEARN	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723278	22/49/46/560224946	HNVJWWBKFFDQAA-DMQZTXQOSA-N	-1	386.4	GE	2.298	3	Mild	high	GEEBHM	C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](OC(=O)c3c(C)cc([O-])cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723278	22/49/45/560224945	HNVJWWBKFFDQAA-DMQZTXQOSA-N	0	386.4	GE	2.298	0	Mild	ref	GEEBRN	C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723280	22/51/49/560225149	HNVJWWBKFFDQAA-PRKMECOTSA-N	-1	386.4	GE	2.298	3	Mild	high	GEEAHM	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc([O-])cc3O)[C@@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	ZINC000014723280	22/51/47/560225147	HNVJWWBKFFDQAA-PRKMECOTSA-N	0	386.4	GE	2.298	0	Mild	ref	GEEARN	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1	in-vitro biogenic
C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C\c4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000017106642	09/43/82/560094382	SPWSUFUPTSJWNG-LIMLNZRCSA-N	1	389.459	GE	2.383	2	Mild	low	GEEALO	C=CC(C)(C)[C@@]12C[C@H]3C(=O)NC(=Cc4c[nH]c[nH+]4)C(=O)N3[C@@H]1Nc1ccccc12	in-vitro biogenic
C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C\c4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12	ZINC000017106642	09/43/81/560094381	SPWSUFUPTSJWNG-LIMLNZRCSA-N	0	389.459	GE	2.383	0	Mild	ref	GEEARN	C=CC(C)(C)[C@@]12C[C@H]3C(=O)NC(=Cc4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12	in-vitro biogenic
COc1c(C2=CC(=O)C[C@@H](OC)C(=O)O2)cc(O)c(-c2ccc(O)cc2)c1O	ZINC000031157470	86/49/02/521864902	PHJBAEPUTMLVER-MRXNPFEDSA-N	0	386.356	GE	2.351	0	Mild	ref	GEEARN	COc1c(C2=CC(=O)C[C@@H](OC)C(=O)O2)cc(O)c(-c2ccc(O)cc2)c1O	in-vitro biogenic
COc1c(C2=CC(=O)C[C@H](OC)C(=O)O2)cc(O)c(-c2ccc(O)cc2)c1O	ZINC000031157475	86/57/97/521865797	PHJBAEPUTMLVER-INIZCTEOSA-N	0	386.356	GE	2.351	0	Mild	ref	GEEARN	COc1c(C2=CC(=O)C[C@H](OC)C(=O)O2)cc(O)c(-c2ccc(O)cc2)c1O	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	ZINC000031162015	71/96/42/290719642	BHSDLJXQKBYFNH-CDMCTNBCSA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEAARN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000033806105	08/91/06/560089106	GFMYIOGFYYHKLA-PWZGUCPHSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000033806106	08/91/15/560089115	GFMYIOGFYYHKLA-FNYRBRLGSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@H]([C@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	ZINC000033832094	10/04/32/206100432	BAHUBXAYVOCLNA-MKWBBVNXSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	ZINC000033832095	08/84/14/560088414	BAHUBXAYVOCLNA-PWZGUCPHSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	ZINC000033832096	10/02/43/206100243	BAHUBXAYVOCLNA-HZUVFCDBSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	ZINC000033832097	10/06/80/206100680	BAHUBXAYVOCLNA-FNYRBRLGSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)[C@H](O)[C@@H]1O	ZINC000035456056	66/76/29/518667629	DXQHDILKRYSUPK-WRISORFTSA-N	-1	392.492	GE	2.03	0	Mild	ref	GEEBRM	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)[C@H](O)[C@@H]1O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]23C)[C@H](O)[C@@H]1O	ZINC000035456061	66/76/09/518667609	DXQHDILKRYSUPK-ZYOVSCFTSA-N	-1	392.492	GE	2.03	0	Mild	ref	GEEBRM	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)[C@H](O)[C@@H]1O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O)[C@H](O)[C@@H]1O	ZINC000035456066	66/72/79/518667279	DXQHDILKRYSUPK-ONBDNMOOSA-N	-1	392.492	GE	2.03	0	Mild	ref	GEEBRM	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)[O-])[C@H](O)[C@@H]1O	in-vitro biogenic
C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O)[C@H](O)[C@@H]1O	ZINC000035456072	66/63/85/518666385	DXQHDILKRYSUPK-KTMTZLQISA-N	-1	392.492	GE	2.03	0	Mild	ref	GEEBRM	C=C1[C@H](O)[C@@H]2O[C@]2(C[C@@H]2C(C)=CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)[O-])[C@H](O)[C@@H]1O	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	ZINC000035457551	82/47/19/221824719	CMIGVNMYXBHBKY-XMSFITQFSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEAARN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	ZINC000035457555	22/76/62/204227662	CMIGVNMYXBHBKY-NFRADTKMSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEABRN	C[C@@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@]1(CO)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	ZINC000035457558	08/17/17/560081717	CMIGVNMYXBHBKY-JRQUVFGJSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEABRN	C[C@]1(CO)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	ZINC000035457564	08/17/04/560081704	CMIGVNMYXBHBKY-TWXXURQJSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEABRN	C[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	ZINC000035457568	08/17/02/560081702	BHSDLJXQKBYFNH-FXJJGOGXSA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEAARN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	ZINC000035457572	08/17/09/560081709	BHSDLJXQKBYFNH-LQDXOGNASA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEABRN	C[C@@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@]1(CO)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	ZINC000035457576	82/47/07/221824707	BHSDLJXQKBYFNH-YHXSNJQLSA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEABRN	C[C@]1(CO)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	ZINC000035457579	08/15/55/560081555	BHSDLJXQKBYFNH-KXIGMZGYSA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEABRN	C[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@@]12O	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464563	08/15/71/560081571	GFMGOVRWOOAPMN-MJTUNMDVSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464566	22/78/03/204227803	GFMGOVRWOOAPMN-JPHGXWTRSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464569	22/76/85/204227685	GFMGOVRWOOAPMN-GGJRTHAKSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
CCCCCC(=O)O[C@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000035464571	22/73/96/204227396	GFMGOVRWOOAPMN-NIOPCZSGSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
C/C=C(/C)C(=O)O[C@@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000035465448	69/73/70/206697370	GFMYIOGFYYHKLA-MKWBBVNXSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
C/C=C(/C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	ZINC000035465450	08/15/58/560081558	GFMYIOGFYYHKLA-HZUVFCDBSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	C/C=C(/C)C(=O)O[C@H]([C@@H](O)c1cc2ccc(=O)oc2cc1OC)C(C)(C)O	in-vitro biogenic
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/C(=O)O)C=C1COC(=O)[C@@]12O	ZINC000039559781	86/44/73/204864473	WWELYLJKFRXUQW-BHEWPMNNSA-N	-1	390.432	GE	2.156	0	Anodyne	ref	GEAARM	CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/C(=O)[O-])C=C1COC(=O)[C@@]12O	in-vitro biogenic
CC1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C=C/C(=O)O)C=C1COC(=O)[C@@]12O	ZINC000039559782	33/13/78/207331378	WWELYLJKFRXUQW-RKMFNQCKSA-N	-1	390.432	GE	2.156	0	Anodyne	ref	GEAARM	CC1(C)CCC[C@@]2(C)[C@@H]1[C@H](OC(=O)/C=C/C=C/C(=O)[O-])C=C1COC(=O)[C@@]12O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@H](OC(=O)C=C(C)C)C(C)(C)O	ZINC000049180982	66/85/76/205668576	STYCQQCWPHBTIH-MOPGFXCFSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@H](OC(=O)C=C(C)C)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@@H](OC(=O)C=C(C)C)C(C)(C)O	ZINC000049180985	67/02/14/205670214	STYCQQCWPHBTIH-RTBURBONSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@@H](O)[C@@H](OC(=O)C=C(C)C)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@H](O)[C@H](OC(=O)C=C(C)C)C(C)(C)O	ZINC000049180988	99/82/72/221998272	STYCQQCWPHBTIH-OALUTQOASA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@H](O)[C@H](OC(=O)C=C(C)C)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@H](O)[C@@H](OC(=O)C=C(C)C)C(C)(C)O	ZINC000049180991	08/40/75/560084075	STYCQQCWPHBTIH-RBUKOAKNSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@H](O)[C@@H](OC(=O)C=C(C)C)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@H](OC(=O)C=C(C)C)[C@H](O)C(C)(C)O	ZINC000049180994	45/14/46/208451446	JQBVDJFDZQVCGH-OALUTQOASA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@H](OC(=O)C=C(C)C)[C@H](O)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)C=C(C)C)[C@H](O)C(C)(C)O	ZINC000049180997	99/74/27/221997427	JQBVDJFDZQVCGH-MOPGFXCFSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)C=C(C)C)[C@H](O)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@H](OC(=O)C=C(C)C)[C@@H](O)C(C)(C)O	ZINC000049181000	99/77/00/221997700	JQBVDJFDZQVCGH-RBUKOAKNSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@H](OC(=O)C=C(C)C)[C@@H](O)C(C)(C)O	in-vitro biogenic
COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)C=C(C)C)[C@@H](O)C(C)(C)O	ZINC000049181003	45/24/00/208452400	JQBVDJFDZQVCGH-RTBURBONSA-N	0	376.405	GE	2.484	0	Anodyne	ref	GEAARN	COc1cc2oc(=O)ccc2cc1[C@@H](OC(=O)C=C(C)C)[C@@H](O)C(C)(C)O	in-vitro biogenic
C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	ZINC000067902684	35/58/19/210355819	JBFBTBFJYNNYPW-DIWQGLKOSA-N	1	382.46	GE	2.225	1	Anodyne	mid	GEABMO	C/C=C1/C[N@@H+]2CC[C@]34C(=Nc5ccc(OC)cc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	in-vitro biogenic
C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	ZINC000067902684	35/58/15/210355815	JBFBTBFJYNNYPW-DIWQGLKOSA-N	1	382.46	GE	2.225	1	Anodyne	mid	GEABMO	C/C=C1/C[N@H+]2CC[C@]34C(=Nc5ccc(OC)cc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	in-vitro biogenic
C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	ZINC000067902684	35/58/10/210355810	JBFBTBFJYNNYPW-DIWQGLKOSA-N	0	382.46	GE	2.225	0	Anodyne	ref	GEABRN	C/C=C1/CN2CC[C@]34C(=Nc5ccc(OC)cc53)[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC	in-vitro biogenic
C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	ZINC000072320525	66/73/98/518667398	ZDJAPMXSTBJTHU-SVMCLBQZSA-N	0	390.432	GE	2.261	0	Mild	ref	GEEBRN	C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	in-vitro biogenic
C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	ZINC000072320526	66/67/75/518666775	ZDJAPMXSTBJTHU-HEPRGUPWSA-N	0	390.432	GE	2.261	0	Mild	ref	GEEBRN	C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	in-vitro biogenic
C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)OC1=CC2=O	ZINC000072320527	66/70/67/518667067	ZDJAPMXSTBJTHU-DLOSGASXSA-N	0	390.432	GE	2.261	0	Mild	ref	GEEBRN	C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)OC1=CC2=O	in-vitro biogenic
C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@]2(C)OC1=CC2=O	ZINC000072320528	66/68/25/518666825	ZDJAPMXSTBJTHU-IBPYNTHBSA-N	0	390.432	GE	2.261	0	Mild	ref	GEEBRN	C=C1C[C@H]2OC(=O)[C@@H](COC)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@]2(C)OC1=CC2=O	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@H]2CO1	ZINC000084634324	07/62/87/560076287	HNVJWWBKFFDQAA-NRKPLWJESA-N	-1	386.4	GE	2.298	3	Mild	high	GEEBHM	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc([O-])cc3O)[C@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@H]2CO1	ZINC000084634324	07/62/86/560076286	HNVJWWBKFFDQAA-NRKPLWJESA-N	0	386.4	GE	2.298	0	Mild	ref	GEEBRN	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@H]2CO1	in-vitro biogenic
COC(=O)/C(=C\C1=C(C(=O)O)[C@@]23CCCC(C)(C)[C@@H]2[C@H](OC3=O)C1=O)C(C)C	ZINC000085840290	73/89/88/522738988	CAXSJVGHYYBJKT-GVXCCEMESA-N	-1	390.432	GE	2.444	0	Mild	ref	GEEBRM	COC(=O)C(=CC1=C(C(=O)[O-])[C@@]23CCCC(C)(C)[C@@H]2[C@H](OC3=O)C1=O)C(C)C	in-man biogenic
C=C1[C@H](O)[C@H](O)[C@]2(C[C@@H]3C(C)=CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]34C)O[C@@H]2[C@@H]1O	ZINC000198405052	67/75/36/290677536	DXQHDILKRYSUPK-VQJBIZTLSA-N	-1	392.492	GE	2.03	0	Mild	ref	GEEBRM	C=C1[C@H](O)[C@H](O)[C@]2(C[C@@H]3C(C)=CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]34C)O[C@@H]2[C@@H]1O	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@]12O	ZINC000225214799	03/62/31/560036231	BHSDLJXQKBYFNH-RNPPMORTSA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEAARN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@]12O	in-vitro biogenic
C=C1C[C@@H]2OC(=O)[C@H](COC)[C@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	ZINC000225272597	90/95/69/526909569	ZDJAPMXSTBJTHU-DIZSSYQASA-N	0	390.432	GE	2.261	0	Mild	ref	GEEBRN	C=C1C[C@@H]2OC(=O)[C@H](COC)[C@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C(=O)OC[C@]12O	ZINC000229938581	71/38/67/222713867	CMIGVNMYXBHBKY-XIZSKXKTSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEAARN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C(=O)OC[C@]12O	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12	ZINC000248070690	03/64/29/560036429	GFMGOVRWOOAPMN-CRODUSRQSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)[C@H](O)CCC(C)(C)[C@@H]12	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O	ZINC000248070694	93/95/98/519939598	GFMGOVRWOOAPMN-IANPCNEZSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2O	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12	ZINC000248070698	03/64/26/560036426	GFMGOVRWOOAPMN-JVODPDDKSA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@@H]12	in-vitro biogenic
CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	ZINC000248070703	94/03/76/519940376	GFMGOVRWOOAPMN-RCJBTHPASA-N	0	382.497	GE	2.302	0	Anodyne	ref	GEABRN	CCCCCC(=O)O[C@@H]1C=C2CO[C@H](O)[C@]2(O)[C@]2(C)[C@@H](O)CCC(C)(C)[C@H]12	in-vitro biogenic
C=C1C[C@@H]2OC(=O)[C@H](COC)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	ZINC000252507131	11/34/94/291113494	ZDJAPMXSTBJTHU-AIQGCOOESA-N	0	390.432	GE	2.261	0	Mild	ref	GEEERN	C=C1C[C@@H]2OC(=O)[C@H](COC)[C@@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	 
C=C1C[C@@H]2OC(=O)[C@H](COC)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	ZINC000252507132	11/34/97/291113497	ZDJAPMXSTBJTHU-GPHROUDVSA-N	0	390.432	GE	2.261	0	Mild	ref	GEEERN	C=C1C[C@@H]2OC(=O)[C@H](COC)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	 
C=C1C[C@@H]2OC(=O)[C@H](COC)[C@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	ZINC000252507133	11/34/98/291113498	ZDJAPMXSTBJTHU-IIIPVASISA-N	0	390.432	GE	2.261	0	Mild	ref	GEEERN	C=C1C[C@@H]2OC(=O)[C@H](COC)[C@H]2[C@H](OC(=O)/C(C)=C\C)C[C@@]2(C)OC1=CC2=O	 
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C(=O)OC[C@@]12O	ZINC000253388146	91/31/37/525913137	CMIGVNMYXBHBKY-HCWNLPEPSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEABRN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@@H]1C(=O)OC[C@@]12O	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@]12O	ZINC000253388147	91/16/20/525911620	CMIGVNMYXBHBKY-ICEHWQSNSA-N	0	388.46	GE	2.325	0	Anodyne	ref	GEABRN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C(=O)OC[C@]12O	in-vitro biogenic
C=C1[C@H](O)[C@H](O)[C@]2(C[C@@H]3C(C)=CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]34C)O[C@@H]2[C@H]1O	ZINC000253388150	03/97/84/560039784	DXQHDILKRYSUPK-FSLOEWLOSA-N	-1	392.492	GE	2.03	0	Mild	ref	GEEBRM	C=C1[C@H](O)[C@H](O)[C@]2(C[C@@H]3C(C)=CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]34C)O[C@@H]2[C@H]1O	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@H]2CO1	ZINC000253389315	03/91/58/560039158	HNVJWWBKFFDQAA-RBJQKLCXSA-N	-1	386.4	GE	2.298	3	Mild	high	GEEBHM	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc([O-])cc3O)[C@H]2CO1	in-vitro biogenic
C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@H]2CO1	ZINC000253389315	03/91/56/560039156	HNVJWWBKFFDQAA-RBJQKLCXSA-N	0	386.4	GE	2.298	0	Mild	ref	GEEBRN	C/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@H]2CO1	in-vitro biogenic
C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@]12O	ZINC000253390011	91/24/75/525912475	BHSDLJXQKBYFNH-QFOSDGOKSA-N	0	386.444	GE	2.245	0	Anodyne	ref	GEABRN	C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)C=C1C(=O)OC[C@]12O	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@@]1(C)[C@@H](C2)[C@]2(C)C(=O)C[C@@H](O)C(C)(C)[C@H]2C[C@H]1O	ZINC000514287789	03/59/08/560035908	ALISDIANZNHHTL-CNGZUBJHSA-N	0	378.465	GE	2.118	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@@]1(C)[C@@H](C2)[C@]2(C)C(=O)C[C@@H](O)C(C)(C)[C@H]2C[C@H]1O	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)[C@H](O)C[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@H]1C2	ZINC000514287790	03/59/18/560035918	ALISDIANZNHHTL-CYVRZMQGSA-N	0	378.465	GE	2.118	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)[C@H](O)C[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@H]1C2	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@@]1(C)[C@@H](C2)[C@@]2(C)C(=O)C[C@@H](O)C(C)(C)[C@H]2C[C@H]1O	ZINC000514287791	03/59/10/560035910	ALISDIANZNHHTL-HJIYHOQVSA-N	0	378.465	GE	2.118	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@@]1(C)[C@@H](C2)[C@@]2(C)C(=O)C[C@@H](O)C(C)(C)[C@H]2C[C@H]1O	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)[C@H](O)C[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@]3(C)[C@H]1C2	ZINC000514287792	03/59/00/560035900	ALISDIANZNHHTL-SOOBFDHBSA-N	0	378.465	GE	2.118	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)[C@H](O)C[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@]3(C)[C@H]1C2	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@]3(C)[C@H]1C2	ZINC000514287850	49/23/44/570492344	AUONBWBZZQIQQT-CFXOURNGSA-N	0	378.465	GE	2.07	0	Mild	ref	GEEBRN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@]3(C)[C@H]1C2	 
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@]3(C)[C@@H]1C2	ZINC000514287853	49/22/37/570492237	AUONBWBZZQIQQT-JUEARANLSA-N	0	378.465	GE	2.07	0	Mild	ref	GEEBRN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@]3(C)[C@@H]1C2	 
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@@]3(C)[C@@H]1C2	ZINC000514287854	49/22/04/570492204	AUONBWBZZQIQQT-MXSIIAGHSA-N	0	378.465	GE	2.07	0	Mild	ref	GEEBRN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@@]3(C)[C@@H]1C2	 
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@@]3(C)[C@H]1C2	ZINC000514287855	49/22/93/570492293	AUONBWBZZQIQQT-YECRUNDDSA-N	0	378.465	GE	2.07	0	Mild	ref	GEEBRN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@@H]4O[C@@H]4[C@H](O)[C@@]3(C)[C@H]1C2	 
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@](CC(=O)O)(C(=O)OC)[C@@H]1CC/C(C)=C/C(=O)O	ZINC000514287879	03/58/13/560035813	GKFCVSUZIXNVJF-DZHMXYKDSA-N	-2	394.42	GE	2.185	0	Mild	ref	GEEARL	C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@](CC(=O)[O-])(C(=O)OC)[C@@H]1CC/C(C)=C/C(=O)[O-]	in-vitro biogenic
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@](CC(=O)O)(C(=O)OC)[C@@H]1CC/C(C)=C/C(=O)O	ZINC000514287883	03/58/09/560035809	GKFCVSUZIXNVJF-FTKXOIFDSA-N	-2	394.42	GE	2.185	0	Mild	ref	GEEARL	C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@](CC(=O)[O-])(C(=O)OC)[C@@H]1CC/C(C)=C/C(=O)[O-]	in-vitro biogenic
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@](CC(=O)O)(C(=O)OC)[C@H]1CC/C(C)=C/C(=O)O	ZINC000514287884	03/58/51/560035851	GKFCVSUZIXNVJF-HFQCLQCYSA-N	-2	394.42	GE	2.185	0	Mild	ref	GEEARL	C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@](CC(=O)[O-])(C(=O)OC)[C@H]1CC/C(C)=C/C(=O)[O-]	in-vitro biogenic
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@](CC(=O)O)(C(=O)OC)[C@H]1CC/C(C)=C/C(=O)O	ZINC000514287885	03/58/30/560035830	GKFCVSUZIXNVJF-WRKZTZNSSA-N	-2	394.42	GE	2.185	0	Mild	ref	GEEARL	C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@](CC(=O)[O-])(C(=O)OC)[C@H]1CC/C(C)=C/C(=O)[O-]	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@@H]1C2	ZINC000514287896	03/57/52/560035752	HOYDSWRNOPSBBD-CXAVTBEQSA-N	0	380.481	GE	2.054	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@@H]1C2	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@]3(C)[C@@H]1C2	ZINC000514287897	03/57/56/560035756	HOYDSWRNOPSBBD-DECNHPNNSA-N	0	380.481	GE	2.054	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@]3(C)[C@@H]1C2	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@]3(C)[C@H]1C2	ZINC000514287898	03/57/50/560035750	HOYDSWRNOPSBBD-TZUXWRPQSA-N	0	380.481	GE	2.054	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@]3(C)[C@H]1C2	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@H]1C2	ZINC000514287899	03/57/51/560035751	HOYDSWRNOPSBBD-ZGOCWUCHSA-N	0	380.481	GE	2.054	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)C[C@H](O)[C@@]3(C)[C@H]1C2	in-vitro biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@@H]1C2	ZINC000514288184	03/55/20/560035520	UITGVOXJDDHQNX-AIFLCUKTSA-N	0	378.465	GE	2.262	0	Mild	ref	GEEARN	C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@@H]1C2	in-vitro biogenic