CC(=O)Oc1ccc2c(C)cc(=O)oc2c1	ZINC000000057912	58/26/75/187582675	HXVZGASCDAGAPS-UHFFFAOYSA-N	0	218.208	BE	2.027	0	Anodyne	ref	BEAARN	CC(=O)Oc1ccc2c(C)cc(=O)oc2c1	in-man endogenous
O=c1ccc2cc3ccoc3c(O)c2o1	ZINC000000895404	00/05/46/183000546	JWVYQQGERKEAHW-UHFFFAOYSA-N	-1	202.165	BE	2.245	3	Anodyne	high	BEAAHM	O=c1ccc2cc3ccoc3c([O-])c2o1	in-man endogenous
O=c1ccc2cc3ccoc3c(O)c2o1	ZINC000000895404	00/05/40/183000540	JWVYQQGERKEAHW-UHFFFAOYSA-N	0	202.165	BE	2.245	0	Anodyne	ref	BEAARN	O=c1ccc2cc3ccoc3c(O)c2o1	in-man endogenous
O=c1ccc2nccc3c4ccccc4n1c23	ZINC000000898052	00/20/83/183002083	ZERVJPYNQLONEK-UHFFFAOYSA-N	0	220.231	BE	2.439	0	Bother	ref	BEBARN	O=c1ccc2nccc3c4ccccc4n1c23	in-vitro biogenic
O=C(O)CCCCCCCCC(=O)O	ZINC000001531045	90/26/63/383902663	CXMXRPHRNRROMY-UHFFFAOYSA-N	-2	202.25	BE	2.276	0	Anodyne	ref	BEAARL	O=C([O-])CCCCCCCCC(=O)[O-]	in-man endogenous
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCC(C)=O)[C@@H]3C[C@H]12	ZINC000001561231	71/22/54/187712254	AGIQIKMGJVLKMA-NLRWUALESA-N	0	248.322	BE	2.5	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCC(C)=O)[C@@H]3C[C@H]12	in-vitro biogenic
COC1=CC(=O)O[C@@H](CCc2ccccc2)C1	ZINC000001608665	01/33/39/174013339	VOOYTQRREPYRIW-LBPRGKRZSA-N	0	232.279	BE	2.465	0	Anodyne	ref	BEAARN	COC1=CC(=O)O[C@@H](CCc2ccccc2)C1	in-man endogenous
O=C(O)/C=C/C=C/c1ccc2c(c1)OCO2	ZINC000001870371	93/84/12/383938412	RHBGITBPARBDPH-ZPUQHVIOSA-N	-1	218.208	BE	2.069	0	Anodyne	ref	BEAARM	O=C([O-])/C=C/C=C/c1ccc2c(c1)OCO2	in-vitro biogenic
CCCCCC[C@@H](CC(=O)O)C(=O)O	ZINC000002566748	56/45/26/388564526	ZJVMHPVIAUKERS-QMMMGPOBSA-N	-1	202.25	BE	2.132	2	Anodyne	low	BEAALM	CCCCCC[C@@H](CC(=O)O)C(=O)[O-]	in-vitro biogenic
CCCCCC[C@@H](CC(=O)O)C(=O)O	ZINC000002566748	56/45/19/388564519	ZJVMHPVIAUKERS-QMMMGPOBSA-N	-2	202.25	BE	2.132	0	Anodyne	ref	BEAARL	CCCCCC[C@@H](CC(=O)[O-])C(=O)[O-]	in-vitro biogenic
COc1cc(C)c2c(OC)c(C)c(=O)oc2c1	ZINC000002585770	78/80/03/342788003	ZMEDOYHRMAKLBS-UHFFFAOYSA-N	0	234.251	BE	2.427	0	Anodyne	ref	BEAARN	COc1cc(C)c2c(OC)c(C)c(=O)oc2c1	in-vitro biogenic
CCCCCC[C@H](CC(=O)O)C(=O)O	ZINC000003199210	36/89/65/388368965	ZJVMHPVIAUKERS-MRVPVSSYSA-N	-1	202.25	BE	2.132	2	Anodyne	low	BEAALM	CCCCCC[C@H](CC(=O)O)C(=O)[O-]	in-vitro biogenic
CCCCCC[C@H](CC(=O)O)C(=O)O	ZINC000003199210	36/89/63/388368963	ZJVMHPVIAUKERS-MRVPVSSYSA-N	-2	202.25	BE	2.132	0	Anodyne	ref	BEAARL	CCCCCC[C@H](CC(=O)[O-])C(=O)[O-]	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@]3(O)C[C@@H]12	ZINC000003895115	46/92/96/351469296	LIDPBIULZNRIJE-MYZSUADSSA-N	0	248.322	BE	2.356	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@]3(O)C[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@@H]12	ZINC000003895120	81/25/02/187812502	LIDPBIULZNRIJE-NEBZKDRISA-N	0	248.322	BE	2.356	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@@H]12	in-vitro biogenic
C=C1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12	ZINC000004900009	19/97/84/384199784	GAUPAOVCTWBVKC-WPLOAARJSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CCC(=C)[C@@H]21	ZINC000005124726	33/24/05/188332405	FKBUODICGDOIGB-CXOVXGEYSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CCC(=C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	ZINC000005124727	18/59/69/385185969	FKBUODICGDOIGB-MJDBTJCESA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)[C@@H](O)CCC(=C)[C@@H]21	ZINC000005124728	25/95/36/346259536	FKBUODICGDOIGB-MCZMQQNQSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)[C@@H](O)CCC(=C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	ZINC000005124729	15/78/73/188157873	FKBUODICGDOIGB-HYFYGGESSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21	ZINC000005663288	33/31/13/188333113	PLSSEPIRACGCBO-MJDBTJCESA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@H](O)CC=C(C)[C@@H]21	ZINC000005663291	20/88/61/385208861	PLSSEPIRACGCBO-WHRXGGIHSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@H](O)CC=C(C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CC=C(C)[C@@H]21	ZINC000005663293	33/25/59/188332559	PLSSEPIRACGCBO-CXOVXGEYSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CC=C(C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@H](O)CC=C(C)[C@@H]21	ZINC000005663294	33/30/84/188333084	PLSSEPIRACGCBO-KBRXKUPHSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@H](O)CC=C(C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O)C[C@H](C)C3=C[C@H]12	ZINC000006037959	39/08/46/351390846	FZSKLHDEGWSLTB-ATYMOLOSSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O)C[C@H](C)C3=C[C@H]12	in-vitro biogenic
C=C1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O	ZINC000006067341	80/50/49/355805049	GTYUWNQOOLJZBM-XLFUENPSSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC(=O)C(C)=C3C[C@H]12	ZINC000006481532	29/98/68/187299868	UQNONRHPSCIIJO-SKVKQCJPSA-N	0	246.306	BE	2.42	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CC(=O)C(C)=C3C[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(=C)CC[C@H]1O	ZINC000006491310	82/58/65/386825865	FKBUODICGDOIGB-PFFFPCNUSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(=C)CC[C@H]1O	in-vitro biogenic
COc1cc(O)c2c(c1Cl)C[C@@H](C)OC2=O	ZINC000013459824	00/55/31/175005531	WLUQQWRUOSZKGN-RXMQYKEDSA-N	0	242.658	BE	2.156	0	Anodyne	ref	BEAARN	COc1cc(O)c2c(c1Cl)C[C@@H](C)OC2=O	in-vitro biogenic
COc1cc(O)c2c(c1Cl)C[C@H](C)OC2=O	ZINC000013459826	00/58/07/175005807	WLUQQWRUOSZKGN-YFKPBYRVSA-N	0	242.658	BE	2.156	0	Anodyne	ref	BEAARN	COc1cc(O)c2c(c1Cl)C[C@H](C)OC2=O	in-vitro biogenic
COc1cc2c(c(O)c1Cl)C(=O)O[C@H](C)C2	ZINC000013459828	01/98/27/175019827	FODMMACJFYQIHT-RXMQYKEDSA-N	-1	242.658	BE	2.156	3	Anodyne	high	BEAAHM	COc1cc2c(c([O-])c1Cl)C(=O)O[C@H](C)C2	in-vitro biogenic
COc1cc2c(c(O)c1Cl)C(=O)O[C@H](C)C2	ZINC000013459828	01/98/26/175019826	FODMMACJFYQIHT-RXMQYKEDSA-N	0	242.658	BE	2.156	0	Anodyne	ref	BEAARN	COc1cc2c(c(O)c1Cl)C(=O)O[C@H](C)C2	in-vitro biogenic
COc1cc2c(c(O)c1Cl)C(=O)O[C@@H](C)C2	ZINC000013459830	01/96/30/175019630	FODMMACJFYQIHT-YFKPBYRVSA-N	-1	242.658	BE	2.156	3	Anodyne	high	BEAAHM	COc1cc2c(c([O-])c1Cl)C(=O)O[C@@H](C)C2	in-vitro biogenic
COc1cc2c(c(O)c1Cl)C(=O)O[C@@H](C)C2	ZINC000013459830	01/96/29/175019629	FODMMACJFYQIHT-YFKPBYRVSA-N	0	242.658	BE	2.156	0	Anodyne	ref	BEAARN	COc1cc2c(c(O)c1Cl)C(=O)O[C@@H](C)C2	in-vitro biogenic
CC(C)CC(=O)c1c(O)cc(O)cc1O	ZINC000013545758	56/74/86/343567486	VSDWHZGJGWMIRN-UHFFFAOYSA-N	-1	210.229	BE	2.032	3	Anodyne	high	BEAAHM	CC(C)CC(=O)c1c(O)cc([O-])cc1O	in-man endogenous
CC(C)CC(=O)c1c(O)cc(O)cc1O	ZINC000013545758	56/74/79/343567479	VSDWHZGJGWMIRN-UHFFFAOYSA-N	0	210.229	BE	2.032	0	Anodyne	ref	BEAARN	CC(C)CC(=O)c1c(O)cc(O)cc1O	in-man endogenous
C=C(C(=O)O)[C@@H](CCCCCC)C(=O)O	ZINC000013660164	58/29/03/384582903	HKMDCNSGDQBQLI-SECBINFHSA-N	-2	214.261	BE	2.298	0	Mild	ref	BEEARL	C=C(C(=O)[O-])[C@@H](CCCCCC)C(=O)[O-]	in-vitro biogenic
C=C(C(=O)O)[C@H](CCCCCC)C(=O)O	ZINC000013660167	60/68/68/343606868	HKMDCNSGDQBQLI-VIFPVBQESA-N	-2	214.261	BE	2.298	0	Mild	ref	BEEARL	C=C(C(=O)[O-])[C@H](CCCCCC)C(=O)[O-]	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	ZINC000014452050	23/91/71/384239171	FKBUODICGDOIGB-NLRWUALESA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@@H]2C3=C(C)CCC[C@]3(C)CC[C@@]12O	ZINC000014452234	49/58/04/344495804	XMPDAVDYIOMTLX-BPLDGKMQSA-N	0	248.322	BE	2.5	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2C3=C(C)CCC[C@]3(C)CC[C@@]12O	in-vitro biogenic
C[C@@H](CCCCC[C@H]1C=CC(=O)O1)[C@@H](C)O	ZINC000014490836	02/54/63/347025463	AEPMKZIOUKHDOO-TUAOUCFPSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEABHN	C[C@@H](CCCCCC1C=CC(=O)O1)[C@@H](C)O	in-vitro biogenic
C[C@@H](CCCCC[C@H]1C=CC(=O)O1)[C@@H](C)O	ZINC000014490836	02/54/60/347025460	AEPMKZIOUKHDOO-TUAOUCFPSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEABRN	C[C@@H](CCCCC[C@H]1C=CC(=O)O1)[C@@H](C)O	in-vitro biogenic
C[C@H](O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490838	88/97/80/362889780	AEPMKZIOUKHDOO-SRVKXCTJSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEAAHN	C[C@H](O)[C@@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
C[C@H](O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490838	88/97/73/362889773	AEPMKZIOUKHDOO-SRVKXCTJSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEAARN	C[C@H](O)[C@@H](C)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
C[C@@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490840	02/51/46/347025146	AEPMKZIOUKHDOO-UTUOFQBUSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEABHN	C[C@@H](O)[C@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
C[C@@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490840	02/51/41/347025141	AEPMKZIOUKHDOO-UTUOFQBUSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEABRN	C[C@@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
C[C@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490842	88/96/10/362889610	AEPMKZIOUKHDOO-WOPDTQHZSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEAAHN	C[C@H](O)[C@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
C[C@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	ZINC000014490842	88/96/03/362889603	AEPMKZIOUKHDOO-WOPDTQHZSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEAARN	C[C@H](O)[C@H](C)CCCCC[C@H]1C=CC(=O)O1	in-vitro biogenic
O=C(O)CCCCCCC/C=C/CO	ZINC000014512621	30/19/88/259301988	BPHFVCJDRAVONJ-SOFGYWHQSA-N	-1	200.278	BE	2.35	0	Anodyne	ref	BEAARM	O=C([O-])CCCCCCC/C=C/CO	in-vitro biogenic
C=C[C@H](O)C#CC#C[C@H](O)/C=C\CCCCC	ZINC000014638889	30/25/94/259302594	KZRIUXSFFOWKRO-USJBSMOHSA-N	0	232.323	BE	2.038	0	Mild	ref	BEEBRN	C=C[C@H](O)C#CC#C[C@H](O)/C=C\CCCCC	in-vitro biogenic
C=C[C@H](O)C#CC#C[C@@H](O)/C=C\CCCCC	ZINC000014638892	30/26/27/259302627	KZRIUXSFFOWKRO-YTKQLVESSA-N	0	232.323	BE	2.038	0	Mild	ref	BEEBRN	C=C[C@H](O)C#CC#C[C@@H](O)/C=C\CCCCC	in-vitro biogenic
C=C[C@@H](O)C#CC#C[C@H](O)/C=C\CCCCC	ZINC000014638895	30/23/84/259302384	KZRIUXSFFOWKRO-QMPFAZFSSA-N	0	232.323	BE	2.038	0	Mild	ref	BEEBRN	C=C[C@@H](O)C#CC#C[C@H](O)/C=C\CCCCC	in-vitro biogenic
C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCC	ZINC000014638897	78/70/54/342787054	KZRIUXSFFOWKRO-DHDOUQCBSA-N	0	232.323	BE	2.038	0	Mild	ref	BEEARN	C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCC	in-vitro biogenic
COC(=O)/C=C/c1ncn(C)c1CC=C(C)C	ZINC000015219844	80/52/54/385805254	LLJZWVUHEIKSRC-SOFGYWHQSA-N	0	234.299	BE	2.115	0	Anodyne	ref	BEAARN	COC(=O)/C=C/c1ncn(C)c1CC=C(C)C	in-vitro biogenic
C=C(C(=O)O)[C@@H](CCCCCC)C(=O)OC	ZINC000028567056	88/47/87/187884787	UYWRIHKZMXRQPD-SNVBAGLBSA-N	-1	228.288	BE	2.387	0	Mild	ref	BEEARM	C=C(C(=O)[O-])[C@@H](CCCCCC)C(=O)OC	in-vitro biogenic
C=C(C(=O)O)[C@H](CCCCCC)C(=O)OC	ZINC000028567058	34/73/86/388347386	UYWRIHKZMXRQPD-JTQLQIEISA-N	-1	228.288	BE	2.387	0	Mild	ref	BEEARM	C=C(C(=O)[O-])[C@H](CCCCCC)C(=O)OC	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@]3(O)C[C@H]12	ZINC000029133928	35/85/12/188358512	LIDPBIULZNRIJE-QHSBEEBCSA-N	0	248.322	BE	2.356	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@]3(O)C[C@H]12	in-vitro biogenic
CC(=O)CCC[C@@H]1Cc2cccc(O)c2C(=O)O1	ZINC000031155701	01/88/79/372018879	KEYNBOUNPFJEST-LLVKDONJSA-N	0	248.278	BE	2.233	0	Anodyne	ref	BEAARN	CC(=O)CCC[C@@H]1Cc2cccc(O)c2C(=O)O1	in-vitro biogenic
CC(=O)CCC[C@H]1Cc2cccc(O)c2C(=O)O1	ZINC000031155706	38/27/01/388382701	KEYNBOUNPFJEST-NSHDSACASA-N	0	248.278	BE	2.233	0	Anodyne	ref	BEAARN	CC(=O)CCC[C@H]1Cc2cccc(O)c2C(=O)O1	in-vitro biogenic
CCc1c(O)cc(OC)c2c1O[C@H](C)CC2=O	ZINC000031155929	87/30/66/359873066	BPIMOIWHAHUBPJ-SSDOTTSWSA-N	-1	236.267	BE	2.317	3	Anodyne	high	BEAAHM	CCc1c([O-])cc(OC)c2c1O[C@H](C)CC2=O	in-vitro biogenic
CCc1c(O)cc(OC)c2c1O[C@H](C)CC2=O	ZINC000031155929	87/30/49/359873049	BPIMOIWHAHUBPJ-SSDOTTSWSA-N	0	236.267	BE	2.317	0	Anodyne	ref	BEAARN	CCc1c(O)cc(OC)c2c1O[C@H](C)CC2=O	in-vitro biogenic
C=C/C=C/[C@@H]1OC[C@H](/C=C/C=C/C)[C@H]1O	ZINC000031161276	38/31/55/388383155	DTLKTHCXEMHTIQ-DBCNHVMASA-N	0	206.285	BE	2.237	0	Anodyne	ref	BEAARN	C=C/C=C/[C@@H]1OC[C@H](/C=C/C=C/C)[C@H]1O	in-vitro biogenic
CCC/C=C/C=C/C[C@@H](CC(=O)O)NC(C)=O	ZINC000031163441	38/31/48/388383148	BSATYPPYQRYOBE-GZURTZSOSA-N	-1	239.315	BE	2.268	0	Anodyne	ref	BEAARM	CCC/C=C/C=C/C[C@@H](CC(=O)[O-])NC(C)=O	in-vitro biogenic
CCC/C=C/C=C/C[C@H](CC(=O)O)NC(C)=O	ZINC000031163445	42/69/53/168426953	BSATYPPYQRYOBE-SJFBBLFCSA-N	-1	239.315	BE	2.268	0	Anodyne	ref	BEAARM	CCC/C=C/C=C/C[C@H](CC(=O)[O-])NC(C)=O	in-vitro biogenic
CC(=O)CCCCCCCCNC(C)=O	ZINC000031165438	38/28/24/388382824	JRJBWKJICGFLDP-UHFFFAOYSA-N	0	213.321	BE	2.442	0	Anodyne	ref	BEAARN	CC(=O)CCCCCCCCNC(C)=O	in-vitro biogenic
C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)C[C@H]12	ZINC000031165899	18/12/51/188181251	DCKYPAZZUYXYTC-SCGWIAOYSA-N	0	248.322	BE	2.5	0	Mild	ref	BEEARN	C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)C[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](O)CCC(=C)[C@H]3C[C@H]12	ZINC000031165903	35/75/32/188357532	GAUPAOVCTWBVKC-FTQJZPFOSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](O)CCC(=C)[C@H]3C[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2CC(=C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000031165914	00/99/92/188009992	GTYUWNQOOLJZBM-GEJOOGBSSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C(=O)O[C@H]2CC(=C)[C@H]3CC[C@@](C)(O)[C@@H]3C[C@@H]12	in-vitro biogenic
C=C1[C@H]2CC3=C(C)C(=O)O[C@H]3C[C@@]2(C)CC[C@H]1O	ZINC000035270902	69/46/52/386694652	ZZOXVUOWFGRQLK-GUIRCDHDSA-N	0	248.322	BE	2.356	0	Mild	ref	BEEARN	C=C1[C@H]2CC3=C(C)C(=O)O[C@H]3C[C@@]2(C)CC[C@H]1O	in-vitro biogenic
C=C1[C@H](O)CC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	ZINC000035270904	67/75/41/290677541	ZZOXVUOWFGRQLK-SFDCQRBFSA-N	0	248.322	BE	2.356	0	Mild	ref	BEEARN	C=C1[C@H](O)CC[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	in-vitro biogenic
O=C(O)CCCCCCCC(=O)CCC(=O)O	ZINC000035465466	85/95/23/383859523	HHXMOTDTSDYYEI-UHFFFAOYSA-N	-2	244.287	BE	2.236	0	Anodyne	ref	BEAARL	O=C([O-])CCCCCCCC(=O)CCC(=O)[O-]	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@]3(O)C[C@H]12	ZINC000038591799	81/31/76/388813176	LIDPBIULZNRIJE-RJZRQDKASA-N	0	248.322	BE	2.356	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@]3(O)C[C@H]12	in-vitro biogenic
CC[C@H](O)c1cc(OC)c(OC)c(OC)c1	ZINC000040975085	41/16/76/343411676	FLYMDKWKEGXJLA-VIFPVBQESA-N	0	226.272	BE	2.156	0	Anodyne	ref	BEAARN	CC[C@H](O)c1cc(OC)c(OC)c(OC)c1	in-vitro biogenic
CC[C@@H](O)c1cc(OC)c(OC)c(OC)c1	ZINC000040975087	93/80/89/170938089	FLYMDKWKEGXJLA-SECBINFHSA-N	0	226.272	BE	2.156	0	Anodyne	ref	BEAARN	CC[C@@H](O)c1cc(OC)c(OC)c(OC)c1	in-vitro biogenic
C[C@@H](CCCCC[C@@H]1C=CC(=O)O1)[C@@H](C)O	ZINC000077257507	39/98/88/384399888	AEPMKZIOUKHDOO-QJPTWQEYSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEABHN	C[C@@H](CCCCCC1C=CC(=O)O1)[C@@H](C)O	in-vitro biogenic
C[C@@H](CCCCC[C@@H]1C=CC(=O)O1)[C@@H](C)O	ZINC000077257507	39/98/79/384399879	AEPMKZIOUKHDOO-QJPTWQEYSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEABRN	C[C@@H](CCCCC[C@@H]1C=CC(=O)O1)[C@@H](C)O	in-vitro biogenic
C[C@@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000077257508	39/98/29/384399829	AEPMKZIOUKHDOO-IJLUTSLNSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEABHN	C[C@@H](O)[C@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
C[C@@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000077257508	39/98/15/384399815	AEPMKZIOUKHDOO-IJLUTSLNSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEABRN	C[C@@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@H]12	ZINC000086085106	45/46/49/387454649	LIDPBIULZNRIJE-UXOAXIEHSA-N	0	248.322	BE	2.356	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(=C)[C@@]3(O)C[C@H]12	in-vitro biogenic
CC(=O)/C=C(O)/C=C/c1ccc(O)cc1	ZINC000100067301	30/10/21/187301021	IWINXMWZYVGFKC-JHLWKMQHSA-N	0	204.225	BE	2.436	1	Mild	mid	BEEAMN	CC(O)=CC(=O)C=Cc1ccc(O)cc1	in-vitro biogenic
CC(=O)/C=C(O)/C=C/c1ccc(O)cc1	ZINC000100067301	30/10/19/187301019	IWINXMWZYVGFKC-JHLWKMQHSA-N	0	204.225	BE	2.436	0	Mild	ref	BEEARN	CC(=O)C=C(O)C=Cc1ccc(O)cc1	in-vitro biogenic
C[C@H](O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000225278031	00/31/28/177003128	AEPMKZIOUKHDOO-SDDRHHMPSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEAAHN	C[C@H](O)[C@@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
C[C@H](O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000225278031	00/31/24/177003124	AEPMKZIOUKHDOO-SDDRHHMPSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEAARN	C[C@H](O)[C@@H](C)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
C[C@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000225278071	01/01/83/177010183	AEPMKZIOUKHDOO-GRYCIOLGSA-N	0	226.316	BE	2.435	3	Anodyne	high	BEAAHN	C[C@H](O)[C@H](C)CCCCCC1C=CC(=O)O1	in-vitro biogenic
C[C@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	ZINC000225278071	01/01/82/177010182	AEPMKZIOUKHDOO-GRYCIOLGSA-N	0	226.316	BE	2.435	0	Anodyne	ref	BEAARN	C[C@H](O)[C@H](C)CCCCC[C@@H]1C=CC(=O)O1	in-vitro biogenic
CCCCCC[C@H](O)C/C=C/C(=O)O	ZINC000225452851	70/12/71/388701271	MWMIRIBJWGECFI-ZKXNXJMVSA-N	-1	200.278	BE	2.349	0	Anodyne	ref	BEAARM	CCCCCC[C@H](O)C/C=C/C(=O)[O-]	in-vitro biogenic
CCCCCC[C@@H](O)C/C=C/C(=O)O	ZINC000225452884	70/08/85/388700885	MWMIRIBJWGECFI-OLKPEBQYSA-N	-1	200.278	BE	2.349	0	Anodyne	ref	BEAARM	CCCCCC[C@@H](O)C/C=C/C(=O)[O-]	in-vitro biogenic
CC(=C\C(=O)O)/C=C(\C)C[C@H](C)C(=O)O	ZINC000225460319	70/57/97/388705797	QEOAMNGZTSERJN-XDRIWWAASA-N	-2	212.245	BE	2.074	0	Anodyne	ref	BEAARL	CC(=C\C(=O)[O-])/C=C(\C)C[C@H](C)C(=O)[O-]	in-vitro biogenic
CC(=C\C(=O)O)/C=C(\C)C[C@@H](C)C(=O)O	ZINC000225460352	49/40/61/187494061	QEOAMNGZTSERJN-LPGIYJELSA-N	-2	212.245	BE	2.074	0	Anodyne	ref	BEAARL	CC(=C\C(=O)[O-])/C=C(\C)C[C@@H](C)C(=O)[O-]	in-vitro biogenic
C/C(=C\C(=O)O)C/C(C)=C/[C@H](C)C(=O)O	ZINC000225460408	70/53/55/388705355	WLVNOJMYBIEIPJ-HMNNVMPBSA-N	-2	212.245	BE	2.074	0	Anodyne	ref	BEAARL	C/C(=C\C(=O)[O-])C/C(C)=C/[C@H](C)C(=O)[O-]	in-vitro biogenic
C/C(=C\C(=O)O)C/C(C)=C/[C@@H](C)C(=O)O	ZINC000225460436	70/50/73/388705073	WLVNOJMYBIEIPJ-VTNPWJGKSA-N	-2	212.245	BE	2.074	0	Anodyne	ref	BEAARL	C/C(=C\C(=O)[O-])C/C(C)=C/[C@@H](C)C(=O)[O-]	in-vitro biogenic
C=C1CC[C@@H](O)[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12	ZINC000238770330	45/03/75/534450375	FKBUODICGDOIGB-FTQJZPFOSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1CC[C@@H](O)[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21	ZINC000238779603	45/02/44/534450244	PLSSEPIRACGCBO-NLRWUALESA-N	0	248.322	BE	2.211	0	Mild	ref	BEEARN	C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21	in-vitro biogenic
C=C1CC[C@H](O)[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12	ZINC000253389065	45/01/31/534450131	FKBUODICGDOIGB-WPLOAARJSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1CC[C@H](O)[C@@]2(C)CC[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CCC(=C)[C@@H]21	ZINC000253389066	94/37/36/368943736	FKBUODICGDOIGB-ZHZXCYKASA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CCC(=C)[C@@H]21	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]3C(C)=CC[C@@H](O)[C@@]3(C)CC[C@H]12	ZINC000253389113	94/38/25/368943825	PLSSEPIRACGCBO-FTQJZPFOSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]3C(C)=CC[C@@H](O)[C@@]3(C)CC[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@H]2[C@H]3C(C)=CC[C@H](O)[C@@]3(C)CC[C@H]12	ZINC000253389114	44/91/88/534449188	PLSSEPIRACGCBO-WPLOAARJSA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@H]2[C@H]3C(C)=CC[C@H](O)[C@@]3(C)CC[C@H]12	in-vitro biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CC=C(C)[C@@H]21	ZINC000253389115	44/99/43/534449943	PLSSEPIRACGCBO-ZHZXCYKASA-N	0	248.322	BE	2.211	0	Mild	ref	BEEBRN	C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CC=C(C)[C@@H]21	in-vitro biogenic
C=C1[C@H](O)CC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	ZINC000253409299	66/81/01/518668101	ZZOXVUOWFGRQLK-KYEXWDHISA-N	0	248.322	BE	2.356	0	Mild	ref	BEEBRN	C=C1[C@H](O)CC[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	in-vitro biogenic
C=C1[C@H]2CC3=C(C)C(=O)O[C@@H]3C[C@@]2(C)CC[C@H]1O	ZINC000253409301	66/89/93/518668993	ZZOXVUOWFGRQLK-RGCMKSIDSA-N	0	248.322	BE	2.356	0	Mild	ref	BEEBRN	C=C1[C@H]2CC3=C(C)C(=O)O[C@@H]3C[C@@]2(C)CC[C@H]1O	in-vitro biogenic