COC(=O)c1ccc(O)cc1	ZINC000000001712	41/09/40/574410940	LXCFILQKKLGQFO-UHFFFAOYSA-N	-1	152.149	AD	1.179	3	Anodyne	high	ADAAHM	COC(=O)c1ccc([O-])cc1	in-man endogenous
COC(=O)c1ccc(O)cc1	ZINC000000001712	41/09/39/574410939	LXCFILQKKLGQFO-UHFFFAOYSA-N	-1	152.149	AD	1.179	0	Anodyne	ref	ADAARM	COC(=O)c1ccc(O)cc1	in-man endogenous
COc1cc2ccc(=O)oc2cc1O	ZINC000000057733	24/04/74/168240474	RODXRVNMMDRFIK-UHFFFAOYSA-N	-1	192.17	AD	1.507	3	Anodyne	high	ADAAHM	COc1cc2ccc(=O)oc2cc1[O-]	in-man aggregator endogenous
COc1cc2ccc(=O)oc2cc1O	ZINC000000057733	24/04/71/168240471	RODXRVNMMDRFIK-UHFFFAOYSA-N	0	192.17	AD	1.507	0	Anodyne	ref	ADAARN	COc1cc2ccc(=O)oc2cc1O	in-man aggregator endogenous
O=c1ccc2cc(O)c(O)cc2o1	ZINC000000057908	26/90/81/351269081	ILEDWLMCKZNDJK-UHFFFAOYSA-N	-1	178.143	AD	1.204	1	Clean	mid	ADCAMM	O=c1ccc2cc(O)c([O-])cc2o1	in-man endogenous
O=c1ccc2cc(O)c(O)cc2o1	ZINC000000057908	26/90/77/351269077	ILEDWLMCKZNDJK-UHFFFAOYSA-N	0	178.143	AD	1.204	0	Clean	ref	ADCARN	O=c1ccc2cc(O)c(O)cc2o1	in-man endogenous
O=c1ccc2ccc(O)cc2o1	ZINC000000058111	26/92/43/351269243	ORHBXUUXSCNDEV-UHFFFAOYSA-N	-1	162.144	AD	1.499	1	Anodyne	mid	ADAAMM	O=c1ccc2ccc([O-])cc2o1	in-man aggregator endogenous
O=c1ccc2ccc(O)cc2o1	ZINC000000058111	26/92/37/351269237	ORHBXUUXSCNDEV-UHFFFAOYSA-N	0	162.144	AD	1.499	0	Anodyne	ref	ADAARN	O=c1ccc2ccc(O)cc2o1	in-man aggregator endogenous
Cc1cc(=O)oc2cc(O)ccc12	ZINC000000058121	92/54/66/342925466	HSHNITRMYYLLCV-UHFFFAOYSA-N	-1	176.171	AD	1.807	1	Anodyne	mid	ADAAMM	Cc1cc(=O)oc2cc([O-])ccc12	in-man metabolite
Cc1cc(=O)oc2cc(O)ccc12	ZINC000000058121	92/54/64/342925464	HSHNITRMYYLLCV-UHFFFAOYSA-N	0	176.171	AD	1.807	0	Anodyne	ref	ADAARN	Cc1cc(=O)oc2cc(O)ccc12	in-man metabolite
COc1ccc(/C=C/C(=O)O)cc1	ZINC000000077999	24/33/33/168243333	AFDXODALSZRGIH-QPJJXVBHSA-N	-1	178.187	AD	1.793	0	Anodyne	ref	ADAARM	COc1ccc(/C=C/C(=O)[O-])cc1	in-man endogenous
CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)OC2=O	ZINC000000120615	92/72/19/342927219	KPWKPGFLZGMMFX-ZJUUUORDSA-N	-1	198.218	AD	1.193	0	Anodyne	ref	ADAARM	CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])OC2=O	in-vitro biogenic
CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)C(=O)O2	ZINC000000120618	92/72/54/342927254	KPWKPGFLZGMMFX-VHSXEESVSA-N	-1	198.218	AD	1.193	0	Anodyne	ref	ADAARM	CC1(C)[C@]2(C(=O)[O-])CC[C@@]1(C)C(=O)O2	in-vitro biogenic
COc1ccc(/C=C/C(=O)O)cc1O	ZINC000000156055	24/22/85/168242285	QURCVMIEKCOAJU-HWKANZROSA-N	-1	194.186	AD	1.499	0	Anodyne	ref	ADAARM	COc1ccc(/C=C/C(=O)[O-])cc1O	in-man metabolite
COc1cc(CCC(=O)O)ccc1O	ZINC000000156571	23/31/61/168233161	BOLQJTPHPSDZHR-UHFFFAOYSA-N	-1	196.202	AD	1.418	0	Anodyne	ref	ADAARM	COc1cc(CCC(=O)[O-])ccc1O	in-vitro biogenic
CC(=O)NCCc1ccccc1	ZINC000000163574	27/40/49/166274049	MODKMHXGCGKTLE-UHFFFAOYSA-N	0	163.22	AD	1.365	0	Anodyne	ref	ADAARN	CC(=O)NCCc1ccccc1	in-vitro biogenic
O=C(O)Cc1ccc(O)cc1	ZINC000000213065	93/15/30/342931530	XQXPVVBIMDBYFF-UHFFFAOYSA-N	-1	152.149	AD	1.019	0	Anodyne	ref	ADAARM	O=C([O-])Cc1ccc(O)cc1	world endogenous
COC(=O)c1c(C)cc(O)c(C)c1O	ZINC000000239015	93/19/48/342931948	UUQHKWMIDYRWHH-UHFFFAOYSA-N	0	196.202	AD	1.501	0	Anodyne	ref	ADAARN	COC(=O)c1c(C)cc(O)c(C)c1O	in-vitro biogenic
O=C(O)CCc1ccc(O)c(O)c1	ZINC000000388044	33/91/11/169339111	DZAUWHJDUNRCTF-UHFFFAOYSA-N	-1	182.175	AD	1.115	0	Clean	ref	ADCARM	O=C([O-])CCc1ccc(O)c(O)c1	in-man metabolite
COc1ccc2ccc(=O)oc2c1	ZINC000000391177	26/55/60/168265560	LIIALPBMIOVAHH-UHFFFAOYSA-N	0	176.171	AD	1.802	0	Anodyne	ref	ADAARN	COc1ccc2ccc(=O)oc2c1	in-man endogenous
COc1ccc(CCC(=O)O)cc1	ZINC000000391192	24/96/47/168249647	FIUFLISGGHNPSM-UHFFFAOYSA-N	-1	180.203	AD	1.712	0	Anodyne	ref	ADAARM	COc1ccc(CCC(=O)[O-])cc1	in-vitro biogenic
Cc1cc(O)cc(O)c1C	ZINC000000391601	93/64/09/342936409	RCNCKKACINZDOI-UHFFFAOYSA-N	0	138.166	AD	1.715	0	Anodyne	ref	ADAARN	Cc1cc(O)cc(O)c1C	in-vitro biogenic
CN1C(=O)CC[C@H]1c1cccnc1	ZINC000000402766	04/30/65/530043065	UIKROCXWUNQSPJ-VIFPVBQESA-N	0	176.219	AD	1.375	0	Anodyne	ref	ADAARN	CN1C(=O)CC[C@H]1c1cccnc1	world biogenic
CC(=O)Nc1ccccc1O	ZINC000000404269	28/55/62/166285562	ADVGKWPZRIDURE-UHFFFAOYSA-N	-1	151.165	AD	1.351	3	Anodyne	high	ADAAHM	CC(=O)Nc1ccccc1[O-]	in-vitro biogenic
CC(=O)Nc1ccccc1O	ZINC000000404269	28/55/59/166285559	ADVGKWPZRIDURE-UHFFFAOYSA-N	0	151.165	AD	1.351	0	Anodyne	ref	ADAARN	CC(=O)Nc1ccccc1O	in-vitro biogenic
C[C@H](O)CCc1ccc(O)cc1	ZINC000000506563	94/04/68/342940468	SFUCGABQOMYVJW-QMMMGPOBSA-N	0	166.22	AD	1.706	0	Anodyne	ref	ADAARN	C[C@H](O)CCc1ccc(O)cc1	in-vitro biogenic
C[C@@H](O)CCc1ccc(O)cc1	ZINC000000506564	39/25/63/168392563	SFUCGABQOMYVJW-MRVPVSSYSA-N	0	166.22	AD	1.706	0	Anodyne	ref	ADAARN	C[C@@H](O)CCc1ccc(O)cc1	in-vitro biogenic
C=CCc1ccc(O)c(O)c1	ZINC000000586482	20/69/28/166206928	FHEHIXJLCWUPCZ-UHFFFAOYSA-N	0	150.177	AD	1.826	0	Mild	ref	ADEARN	C=CCc1ccc(O)c(O)c1	in-vitro biogenic
O=C(O)/C=C/c1ccccc1O	ZINC000000895911	33/44/53/169334453	PMOWTIHVNWZYFI-AATRIKPKSA-N	-1	164.16	AD	1.49	0	Anodyne	ref	ADAARM	O=C([O-])/C=C/c1ccccc1O	in-man endogenous
O=C(O)CCCCCCC(=O)O	ZINC000001531046	33/76/36/169337636	TYFQFVWCELRYAO-UHFFFAOYSA-N	-2	174.196	AD	1.496	0	Anodyne	ref	ADAARL	O=C([O-])CCCCCCC(=O)[O-]	in-man endogenous
CC1(C)C[C@@H](O)C[C@@]2(C)OC(=O)C=C12	ZINC000001565389	94/78/97/342947897	XEVQXKKKAVVSMW-RDDDGLTNSA-N	0	196.246	AD	1.409	0	Anodyne	ref	ADABRN	CC1(C)C[C@@H](O)C[C@@]2(C)OC(=O)C=C12	in-vitro biogenic
CC1(C)C[C@@H](O)C[C@]2(C)OC(=O)C=C12	ZINC000001565390	68/53/91/166685391	XEVQXKKKAVVSMW-HQJQHLMTSA-N	0	196.246	AD	1.409	0	Anodyne	ref	ADABRN	CC1(C)C[C@@H](O)C[C@]2(C)OC(=O)C=C12	in-vitro biogenic
CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12	ZINC000001565391	94/77/59/342947759	XEVQXKKKAVVSMW-WRWORJQWSA-N	0	196.246	AD	1.409	0	Anodyne	ref	ADAARN	CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12	in-vitro biogenic
CC1(C)C[C@H](O)C[C@]2(C)OC(=O)C=C12	ZINC000001565392	94/77/48/342947748	XEVQXKKKAVVSMW-CPCISQLKSA-N	0	196.246	AD	1.409	0	Anodyne	ref	ADABRN	CC1(C)C[C@H](O)C[C@]2(C)OC(=O)C=C12	in-vitro biogenic
CCCC#C/C=C1/C=CC(=O)O1	ZINC000001674393	20/72/79/171207279	PHUPYFCPQIPDNQ-TWGQIWQCSA-N	0	162.188	AD	1.787	0	Mild	ref	ADEARN	CCCC#C/C=C1/C=CC(=O)O1	in-vitro biogenic
O=C(O)Cc1cccc(C(=O)O)c1	ZINC000001700536	34/44/05/169344405	QNUWEXSGZVBMDV-UHFFFAOYSA-N	-2	180.159	AD	1.012	0	Anodyne	ref	ADAARL	O=C([O-])Cc1cccc(C(=O)[O-])c1	in-vitro biogenic
C/C=C/C=C/C=C/C(=O)O	ZINC000001733900	06/08/40/166060840	IAAPVNQZSBLWKH-ICDJNDDTSA-N	-1	138.166	AD	1.759	0	Anodyne	ref	ADAARM	C/C=C/C=C/C=C/C(=O)[O-]	in-vitro biogenic
CCCCC[C@H](O)CC(=O)O	ZINC000002019242	96/67/84/342966784	NDPLAKGOSZHTPH-ZETCQYMHSA-N	-1	160.213	AD	1.402	0	Anodyne	ref	ADAARM	CCCCC[C@H](O)CC(=O)[O-]	in-man endogenous
CCCCC[C@@H](O)CC(=O)O	ZINC000002019243	87/26/80/166872680	NDPLAKGOSZHTPH-SSDOTTSWSA-N	-1	160.213	AD	1.402	0	Anodyne	ref	ADAARM	CCCCC[C@@H](O)CC(=O)[O-]	in-man endogenous
OCCCc1ccc(O)cc1	ZINC000002242702	30/51/86/351305186	NJCVPQRHRKYSAZ-UHFFFAOYSA-N	0	152.193	AD	1.317	0	Anodyne	ref	ADAARN	OCCCc1ccc(O)cc1	in-man endogenous
COC(=O)/C=C/c1cc(O)ccc1O	ZINC000002504592	07/81/68/168078168	BQCNSTFWSKOWMA-GORDUTHDSA-N	0	194.186	AD	1.284	0	Anodyne	ref	ADAARN	COC(=O)/C=C/c1cc(O)ccc1O	in-vitro biogenic
CC1(C)NC(=O)c2ccccc2N1	ZINC000002543436	97/58/02/342975802	BXJMRXBQNLKDCI-UHFFFAOYSA-N	0	176.219	AD	1.578	0	Anodyne	ref	ADAARN	CC1(C)NC(=O)c2ccccc2N1	in-vitro biogenic
O=C(O)/C=C/c1cc(O)ccc1O	ZINC000002545428	33/47/93/169334793	JXIPYOZBOMUUCA-DAFODLJHSA-N	-1	180.159	AD	1.196	0	Anodyne	ref	ADAARM	O=C([O-])/C=C/c1cc(O)ccc1O	in-vitro biogenic
COc1ccc(/C=C/C(=O)O)c(O)c1	ZINC000002566031	24/35/59/168243559	IKNVEOZIOFMENG-HWKANZROSA-N	-1	194.186	AD	1.499	0	Anodyne	ref	ADAARM	COc1ccc(/C=C/C(=O)[O-])c(O)c1	in-vitro biogenic
COC1=CC(=O)c2ccccc2C1=O	ZINC000002566243	00/72/52/171007252	OBGBGHKYJAOXRR-UHFFFAOYSA-N	0	188.182	AD	1.596	0	Mild	ref	ADEARN	COC1=CC(=O)c2ccccc2C1=O	biogenic in-vivo
O=C1NC[C@H](c2ccccc2)O1	ZINC000003636191	38/71/29/169387129	ARILQDNHZGKJBK-MRVPVSSYSA-N	0	163.176	AD	1.468	0	Anodyne	ref	ADAARN	O=C1NC[C@H](c2ccccc2)O1	in-vitro biogenic
O=C1NC[C@@H](c2ccccc2)O1	ZINC000003636192	38/73/46/169387346	ARILQDNHZGKJBK-QMMMGPOBSA-N	0	163.176	AD	1.468	0	Anodyne	ref	ADAARN	O=C1NC[C@@H](c2ccccc2)O1	in-vitro biogenic
C/C=C(/C)C(=O)OC/C(=C/C)C(=O)O	ZINC000005132502	59/64/87/325596487	MQFYOYGIGPVWSJ-IUNAMMOKSA-N	-1	198.218	AD	1.527	0	Anodyne	ref	ADAARM	C/C=C(/C)C(=O)OC/C(=C/C)C(=O)[O-]	in-vitro biogenic
CC(=O)NCCc1ccc(O)cc1	ZINC000005160274	27/54/95/166275495	ATDWJOOPFDQZNK-UHFFFAOYSA-N	0	179.219	AD	1.071	0	Anodyne	ref	ADAARN	CC(=O)NCCc1ccc(O)cc1	in-vitro biogenic
Cc1cc2cc(O)cc(O)c2c(=O)o1	ZINC000006522158	01/51/64/343015164	OHHKDUWFPNAEHQ-UHFFFAOYSA-N	-1	192.17	AD	1.513	3	Anodyne	high	ADAAHM	Cc1cc2cc([O-])cc(O)c2c(=O)o1	in-vitro biogenic
Cc1cc2cc(O)cc(O)c2c(=O)o1	ZINC000006522158	01/51/62/343015162	OHHKDUWFPNAEHQ-UHFFFAOYSA-N	0	192.17	AD	1.513	0	Anodyne	ref	ADAARN	Cc1cc2cc(O)cc(O)c2c(=O)o1	in-vitro biogenic
CC(=O)c1ccc(O)c(CCO)c1	ZINC000012505786	32/53/60/166325360	KLCSKEIAIWQUEE-UHFFFAOYSA-N	-1	180.203	AD	1.13	1	Anodyne	mid	ADAAMM	CC(=O)c1ccc([O-])c(CCO)c1	in-vitro biogenic
CC(=O)c1ccc(O)c(CCO)c1	ZINC000012505786	32/53/56/166325356	KLCSKEIAIWQUEE-UHFFFAOYSA-N	0	180.203	AD	1.13	0	Anodyne	ref	ADAARN	CC(=O)c1ccc(O)c(CCO)c1	in-vitro biogenic
COC(=O)c1c(O)cc(O)c(C)c1C	ZINC000013484869	12/75/49/168127549	QCEVKSVMCRLLPS-UHFFFAOYSA-N	0	196.202	AD	1.501	0	Anodyne	ref	ADAARN	COC(=O)c1c(O)cc(O)c(C)c1C	in-vitro biogenic
C[C@@H](O)CCc1ccc(CC(=O)O)o1	ZINC000014444760	75/57/79/571755779	HTOMXRGQGRWIQI-SSDOTTSWSA-N	-1	198.218	AD	1.22	0	Anodyne	ref	ADAERM	C[C@@H](O)CCc1ccc(CC(=O)[O-])o1	 
C[C@H](O)CCc1ccc(CC(=O)O)o1	ZINC000014444762	73/88/17/290738817	HTOMXRGQGRWIQI-ZETCQYMHSA-N	-1	198.218	AD	1.22	0	Anodyne	ref	ADAERM	C[C@H](O)CCc1ccc(CC(=O)[O-])o1	in-vitro biogenic
COc1ccc([C@@H](O)[C@@H](C)O)cc1	ZINC000014504533	25/81/27/168258127	MRDZSBVJWOXBRW-XCBNKYQSSA-N	0	182.219	AD	1.109	0	Anodyne	ref	ADAARN	COc1ccc([C@@H](O)[C@@H](C)O)cc1	in-vitro biogenic
COc1ccc([C@H](O)[C@@H](C)O)cc1	ZINC000014504536	26/01/22/168260122	MRDZSBVJWOXBRW-GMSGAONNSA-N	0	182.219	AD	1.109	0	Anodyne	ref	ADAARN	COc1ccc([C@H](O)[C@@H](C)O)cc1	in-vitro biogenic
COc1ccc([C@@H](O)[C@H](C)O)cc1	ZINC000014504538	25/84/90/168258490	MRDZSBVJWOXBRW-XVKPBYJWSA-N	0	182.219	AD	1.109	0	Anodyne	ref	ADAARN	COc1ccc([C@@H](O)[C@H](C)O)cc1	in-vitro biogenic
COc1ccc([C@H](O)[C@H](C)O)cc1	ZINC000014504541	25/91/59/168259159	MRDZSBVJWOXBRW-OIBJUYFYSA-N	0	182.219	AD	1.109	0	Anodyne	ref	ADAARN	COc1ccc([C@H](O)[C@H](C)O)cc1	in-man endogenous
CCCCC[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000014723934	04/01/95/343040195	WPOYJLMQCBFDQM-RKDXNWHRSA-N	0	186.251	AD	1.633	0	Anodyne	ref	ADAARN	CCCCC[C@@H]1C[C@@H](O)CC(=O)O1	in-vitro biogenic
CCCCC[C@H]1C[C@@H](O)CC(=O)O1	ZINC000014723936	04/02/06/343040206	WPOYJLMQCBFDQM-BDAKNGLRSA-N	0	186.251	AD	1.633	0	Anodyne	ref	ADAARN	CCCCC[C@H]1C[C@@H](O)CC(=O)O1	in-vitro biogenic
CCCCC[C@@H]1C[C@H](O)CC(=O)O1	ZINC000014723938	04/02/89/343040289	WPOYJLMQCBFDQM-DTWKUNHWSA-N	0	186.251	AD	1.633	0	Anodyne	ref	ADAARN	CCCCC[C@@H]1C[C@H](O)CC(=O)O1	in-vitro biogenic
CCCCC[C@H]1C[C@H](O)CC(=O)O1	ZINC000014723940	04/02/69/343040269	WPOYJLMQCBFDQM-IUCAKERBSA-N	0	186.251	AD	1.633	0	Anodyne	ref	ADAARN	CCCCC[C@H]1C[C@H](O)CC(=O)O1	in-vitro biogenic
Cc1c(C)c(C(=O)O)c(O)c(C)c1O	ZINC000015117996	70/68/68/168706868	NZGSNQJCTOMELT-UHFFFAOYSA-N	-1	196.202	AD	1.721	0	Anodyne	ref	ADAARM	Cc1c(C)c(C(=O)[O-])c(O)c(C)c1O	in-vitro biogenic
CC(C)=CC[C@@H](O)/C(C)=C/CO	ZINC000015120382	37/75/00/351377500	PTCYLOJKSMVJTR-OLKPEBQYSA-N	0	170.252	AD	1.642	0	Anodyne	ref	ADAARN	CC(C)=CC[C@@H](O)/C(C)=C/CO	in-vitro biogenic
CC(C)=CC[C@H](O)/C(C)=C/CO	ZINC000015120383	37/81/02/351378102	PTCYLOJKSMVJTR-ZKXNXJMVSA-N	0	170.252	AD	1.642	0	Anodyne	ref	ADAARN	CC(C)=CC[C@H](O)/C(C)=C/CO	in-vitro biogenic
O=C(O)CCC(=O)Cc1ccccc1	ZINC000029394259	18/39/18/171183918	LTNSOYZGFPWHOF-UHFFFAOYSA-N	-1	192.214	AD	1.663	0	Anodyne	ref	ADAARM	O=C([O-])CCC(=O)Cc1ccccc1	in-vitro biogenic
Cc1oc(=O)c(C)c(O)c1C	ZINC000029482299	00/63/88/169006388	ZCLDVNJXGNOJKY-UHFFFAOYSA-N	-1	154.165	AD	1.271	1	Anodyne	mid	ADAAMM	Cc1oc(=O)c(C)c([O-])c1C	 
Cc1oc(=O)c(C)c(O)c1C	ZINC000029482299	00/63/83/169006383	ZCLDVNJXGNOJKY-UHFFFAOYSA-N	0	154.165	AD	1.271	0	Anodyne	ref	ADAARN	Cc1oc(=O)c(C)c(O)c1C	 
CC[C@@H]1OC(=O)Cc2c(O)cccc21	ZINC000031158449	09/29/58/343092958	DYQVBIGRTSDQIF-JTQLQIEISA-N	0	192.214	AD	1.943	0	Anodyne	ref	ADAARN	CC[C@@H]1OC(=O)Cc2c(O)cccc21	in-vitro biogenic
CC[C@H]1OC(=O)Cc2c(O)cccc21	ZINC000031158454	09/28/91/343092891	DYQVBIGRTSDQIF-SNVBAGLBSA-N	0	192.214	AD	1.943	0	Anodyne	ref	ADAARN	CC[C@H]1OC(=O)Cc2c(O)cccc21	in-vitro biogenic
CCC/C=C\C[C@@H](N)CC(=O)O	ZINC000031159175	18/39/43/171183943	FBJHAMGGVKCNEB-PULIVWKDSA-N	0	171.24	AD	1.535	0	Anodyne	ref	ADAARN	CCC/C=C\C[C@@H]([NH3+])CC(=O)[O-]	in-vitro biogenic
CCC/C=C\C[C@H](N)CC(=O)O	ZINC000031159178	18/37/10/171183710	FBJHAMGGVKCNEB-LGYSABEFSA-N	0	171.24	AD	1.535	0	Anodyne	ref	ADAARN	CCC/C=C\C[C@H]([NH3+])CC(=O)[O-]	in-vitro biogenic
COc1c[nH]c(=O)c2ccccc12	ZINC000031161843	22/70/04/168227004	ITVVDKFBWYVGPV-UHFFFAOYSA-N	0	175.187	AD	1.537	0	Anodyne	ref	ADAARN	COc1c[nH]c(=O)c2ccccc12	in-vitro biogenic
CCc1cc(O)c(C)c(O)c1C=O	ZINC000031167487	09/28/29/343092829	IZEZSOSPEGKVRG-UHFFFAOYSA-N	-1	180.203	AD	1.781	1	Anodyne	mid	ADAAMM	CCc1cc([O-])c(C)c(O)c1C=O	in-vitro biogenic
CCc1cc(O)c(C)c(O)c1C=O	ZINC000031167487	09/28/25/343092825	IZEZSOSPEGKVRG-UHFFFAOYSA-N	0	180.203	AD	1.781	0	Anodyne	ref	ADAARN	CCc1cc(O)c(C)c(O)c1C=O	in-vitro biogenic
C[C@@H](O)CC(=O)c1cc(O)ccc1O	ZINC000031168550	38/93/37/168389337	WKQRFNCVSZBUJJ-ZCFIWIBFSA-N	0	196.202	AD	1.051	0	Anodyne	ref	ADAARN	C[C@@H](O)CC(=O)c1cc(O)ccc1O	in-vitro biogenic
C[C@H](O)CC(=O)c1cc(O)ccc1O	ZINC000031168554	09/27/56/343092756	WKQRFNCVSZBUJJ-LURJTMIESA-N	0	196.202	AD	1.051	0	Anodyne	ref	ADAARN	C[C@H](O)CC(=O)c1cc(O)ccc1O	in-vitro biogenic
COc1cn(C)c2ccccc2c1=O	ZINC000032223702	71/03/42/290710342	LJFGKFSVGOVCKM-UHFFFAOYSA-N	0	189.214	AD	1.547	0	Anodyne	ref	ADAARN	COc1cn(C)c2ccccc2c1=O	in-vitro biogenic
CCCCC[C@H](O)/C=C/C(=O)O	ZINC000035465475	13/27/23/343132723	RLNIWODKAMVILO-CZEYKFRCSA-N	-1	172.224	AD	1.568	0	Anodyne	ref	ADAARM	CCCCC[C@H](O)/C=C/C(=O)[O-]	in-vitro biogenic
CCCCC[C@@H](O)/C=C/C(=O)O	ZINC000035465478	13/25/17/343132517	RLNIWODKAMVILO-HYDMIIDASA-N	-1	172.224	AD	1.568	0	Anodyne	ref	ADAARM	CCCCC[C@@H](O)/C=C/C(=O)[O-]	in-vitro biogenic
COC/C=C/c1ccc(O)c(O)c1	ZINC000049601777	15/42/74/171154274	QRYSMWVPJDAMGZ-NSCUHMNNSA-N	0	180.203	AD	1.757	0	Clean	ref	ADCARN	COC/C=C/c1ccc(O)c(O)c1	in-vitro biogenic
C/C(=C\C(=O)O)c1ccc(C)c(=O)o1	ZINC000085600581	04/96/67/166049667	MQNNRPUVAMHCCO-FNORWQNLSA-N	-1	194.186	AD	1.436	0	Anodyne	ref	ADABRM	C/C(=C\C(=O)[O-])c1ccc(C)c(=O)o1	in-vitro biogenic
C[C@H]1COCC[C@H]1CCO	ZINC000096111545	46/90/48/572469048	RJIZCWQDPRRTRM-JGVFFNPUSA-N	0	144.214	AD	1.041	0	Anodyne	ref	ADABRN	C[C@H]1COCC[C@H]1CCO	in-vitro biogenic
C/C=C/C(CC(=O)O)CC(=O)O	ZINC000096297331	18/56/50/171185650	MZNNPGRTALKBID-NSCUHMNNSA-N	-2	172.18	AD	1.128	0	Anodyne	ref	ADABRL	C/C=C/C(CC(=O)[O-])CC(=O)[O-]	in-vitro biogenic
C[S@@](=O)CCCCCC#N	ZINC000221675391	18/29/18/171182918	APPYODZCSQLIJT-SNVBAGLBSA-N	0	159.254	AD	1.449	0	Mild	ref	ADEARN	C[S@@](=O)CCCCCC#N	in-vitro biogenic
C[S@](=O)CCCCCC#N	ZINC000221675447	44/48/86/344444886	APPYODZCSQLIJT-JTQLQIEISA-N	0	159.254	AD	1.449	0	Mild	ref	ADEARN	C[S@](=O)CCCCCC#N	in-vitro biogenic
Cc1oc(=O)ccc1CCCC(=O)O	ZINC000225456230	00/72/87/169007287	QFJCZUUIDDALPA-UHFFFAOYSA-N	-1	196.202	AD	1.356	0	Anodyne	ref	ADAARM	Cc1oc(=O)ccc1CCCC(=O)[O-]	in-vitro biogenic
C[C@@H](O)CCCc1cc(O)cc(O)c1	ZINC000514287761	16/29/66/352162966	PIJHLJYFYMNUMA-MRVPVSSYSA-N	0	196.246	AD	1.801	0	Anodyne	ref	ADAARN	C[C@@H](O)CCCc1cc(O)cc(O)c1	in-vitro biogenic
C[C@H](O)CCCc1cc(O)cc(O)c1	ZINC000514287762	16/29/29/352162929	PIJHLJYFYMNUMA-QMMMGPOBSA-N	0	196.246	AD	1.801	0	Anodyne	ref	ADAARN	C[C@H](O)CCCc1cc(O)cc(O)c1	in-vitro biogenic