O=C(O)c1cccnc1	ZINC000000001795	92/38/09/342923809	PVNIIMVLHYAWGP-UHFFFAOYSA-N	-1	123.111	AC	0.78	0	Anodyne	ref	ACAARM	O=C([O-])c1cccnc1	fda endogenous
O=c1oc2c(O)cccc2c(O)c1O	ZINC000000018453	15/92/23/171159223	OJIYXYUCRVFSRV-UHFFFAOYSA-N	-2	194.142	AC	0.91	3	Anodyne	high	ACAAHL	O=c1oc2c(O)cccc2c([O-])c1[O-]	in-vitro biogenic
O=c1oc2c(O)cccc2c(O)c1O	ZINC000000018453	15/92/21/171159221	OJIYXYUCRVFSRV-UHFFFAOYSA-N	-1	194.142	AC	0.91	0	Anodyne	ref	ACAARM	O=c1oc2c(O)cccc2c([O-])c1O	in-vitro biogenic
COc1ccn(C)c(=O)c1C#N	ZINC000000113473	27/88/24/168278824	PETSAYFQSGAEQY-UHFFFAOYSA-N	0	164.164	AC	0.266	0	Mild	ref	ACEARN	COc1ccn(C)c(=O)c1C#N	in-man metabolite
CC(=O)N1CCC[C@H]1C(=O)O	ZINC000000119664	26/13/09/166261309	GNMSLDIYJOSUSW-LURJTMIESA-N	-1	157.169	AC	0.082	0	Anodyne	ref	ACAARM	CC(=O)N1CCC[C@H]1C(=O)[O-]	endogenous in-vivo
CC(=O)N1CCC[C@@H]1C(=O)O	ZINC000000119667	26/19/27/166261927	GNMSLDIYJOSUSW-ZCFIWIBFSA-N	-1	157.169	AC	0.082	0	Anodyne	ref	ACAARM	CC(=O)N1CCC[C@@H]1C(=O)[O-]	endogenous in-vivo
Cc1occc(=O)c1O	ZINC000000164488	00/89/90/169008990	XPCTZQVDEJYUGT-UHFFFAOYSA-N	0	126.111	AC	0.654	0	Anodyne	ref	ACAARN	Cc1occc(=O)c1O	investigational endogenous
OCCc1ccc(O)cc1	ZINC000000164581	27/24/36/351272436	YCCILVSKPBXVIP-UHFFFAOYSA-N	0	138.166	AC	0.927	0	Anodyne	ref	ACAARN	OCCc1ccc(O)cc1	in-man endogenous
O=C(O)c1ccc(CO)o1	ZINC000000327584	35/73/18/169357318	PCSKKIUURRTAEM-UHFFFAOYSA-N	-1	142.11	AC	0.47	0	Anodyne	ref	ACAARM	O=C([O-])c1ccc(CO)o1	in-man endogenous
O=C(O)c1cccc(O)c1O	ZINC000000388166	35/88/08/169358808	GLDQAMYCGOIJDV-UHFFFAOYSA-N	-1	154.121	AC	0.796	0	Clean	ref	ACCARM	O=C([O-])c1cccc(O)c1O	in-man endogenous
O=C(O)CCCC(=O)O	ZINC000000388706	33/74/80/169337480	JFCQEDHGNNZCLN-UHFFFAOYSA-N	-2	132.115	AC	0.326	0	Anodyne	ref	ACAARL	O=C([O-])CCCC(=O)[O-]	in-man endogenous
C[C@@H](CC(=O)O)C(=O)O	ZINC000000391199	33/43/23/168334323	WXUAQHNMJWJLTG-VKHMYHEASA-N	-2	132.115	AC	0.182	0	Anodyne	ref	ACAARL	C[C@@H](CC(=O)[O-])C(=O)[O-]	in-man endogenous
C[C@H](CC(=O)O)C(=O)O	ZINC000000391200	93/63/80/342936380	WXUAQHNMJWJLTG-GSVOUGTGSA-N	-2	132.115	AC	0.182	0	Anodyne	ref	ACAARL	C[C@H](CC(=O)[O-])C(=O)[O-]	in-man endogenous
COC(=O)c1c(O)cc(O)cc1O	ZINC000000394662	12/65/33/168126533	AQDIJIAUYXOCGX-UHFFFAOYSA-N	-1	184.147	AC	0.59	3	Anodyne	high	ACAAHM	COC(=O)c1c(O)cc([O-])cc1O	in-man endogenous
COC(=O)c1c(O)cc(O)cc1O	ZINC000000394662	12/65/30/168126530	AQDIJIAUYXOCGX-UHFFFAOYSA-N	0	184.147	AC	0.59	0	Anodyne	ref	ACAARN	COC(=O)c1c(O)cc(O)cc1O	in-man endogenous
OC[C@@H](O)Cc1ccc2c(c1)OCO2	ZINC000000402227	27/92/01/351279201	FYDVPEVHFUBOJG-QMMMGPOBSA-N	0	196.202	AC	0.311	0	Anodyne	ref	ACAARN	OC[C@@H](O)Cc1ccc2c(c1)OCO2	in-man endogenous
OC[C@H](O)Cc1ccc2c(c1)OCO2	ZINC000000402228	27/90/88/351279088	FYDVPEVHFUBOJG-MRVPVSSYSA-N	0	196.202	AC	0.311	0	Anodyne	ref	ACAARN	OC[C@H](O)Cc1ccc2c(c1)OCO2	in-man endogenous
CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O	ZINC000000402831	27/91/32/351279132	DBJPZCJQDRPOME-BQBZGAKWSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACAARN	CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O	in-vitro biogenic
CC(C)C[C@@H]1NC(=O)[C@@H](C)NC1=O	ZINC000000402832	27/88/33/351278833	DBJPZCJQDRPOME-RQJHMYQMSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACAARN	CC(C)C[C@@H]1NC(=O)[C@@H](C)NC1=O	in-vitro biogenic
CC(C)C[C@H]1NC(=O)[C@H](C)NC1=O	ZINC000000402833	27/91/62/351279162	DBJPZCJQDRPOME-NKWVEPMBSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACAARN	CC(C)C[C@H]1NC(=O)[C@H](C)NC1=O	in-vitro biogenic
CC(C)C[C@H]1NC(=O)[C@@H](C)NC1=O	ZINC000000402834	27/92/37/351279237	DBJPZCJQDRPOME-RNFRBKRXSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACAARN	CC(C)C[C@H]1NC(=O)[C@@H](C)NC1=O	in-vitro biogenic
COC(=O)c1ccc(O)c(O)c1	ZINC000000405329	13/17/52/168131752	CUFLZUDASVUNOE-UHFFFAOYSA-N	-1	168.148	AC	0.884	3	Clean	high	ACCAHM	COC(=O)c1ccc([O-])c(O)c1	in-vitro biogenic
COC(=O)c1ccc(O)c(O)c1	ZINC000000405329	13/17/47/168131747	CUFLZUDASVUNOE-UHFFFAOYSA-N	0	168.148	AC	0.884	0	Clean	ref	ACCARN	COC(=O)c1ccc(O)c(O)c1	in-vitro biogenic
CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000000517327	94/04/80/342940480	XLUAWXQORJEMBD-JGVFFNPUSA-N	0	196.25	AC	0.132	0	Anodyne	ref	ACAARN	CC(C)[C@H]1NC(=O)[C@@H]2CCCN2C1=O	in-vitro biogenic
CC(=O)CC(C)(C)N	ZINC000001510269	23/83/87/166238387	CQTRUFMMCCOKTA-UHFFFAOYSA-N	1	115.176	AC	0.703	0	Anodyne	ref	ACAARO	CC(=O)CC(C)(C)[NH3+]	in-vitro biogenic
CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	ZINC000001564489	94/77/45/342947745	XLUAWXQORJEMBD-YUMQZZPRSA-N	0	196.25	AC	0.132	0	Anodyne	ref	ACAARN	CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O	in-vitro biogenic
CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000001564490	94/78/83/342947883	XLUAWXQORJEMBD-SFYZADRCSA-N	0	196.25	AC	0.132	0	Anodyne	ref	ACAARN	CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O	in-vitro biogenic
CC(C)[C@H]1NC(=O)[C@H]2CCCN2C1=O	ZINC000001564491	94/77/76/342947776	XLUAWXQORJEMBD-HTQZYQBOSA-N	0	196.25	AC	0.132	0	Anodyne	ref	ACAARN	CC(C)[C@H]1NC(=O)[C@H]2CCCN2C1=O	in-vitro biogenic
CC(=O)NCCCCCNC(C)=O	ZINC000001586124	27/32/55/166273255	FQKKPLXFGDCBJT-UHFFFAOYSA-N	0	186.255	AC	0.429	0	Anodyne	ref	ACAARN	CC(=O)NCCCCCNC(C)=O	in-vitro biogenic
OCc1ccc(CO)o1	ZINC000001672225	43/85/52/169438552	DSLRVRBSNLHVBH-UHFFFAOYSA-N	0	128.127	AC	0.264	0	Anodyne	ref	ACAARN	OCc1ccc(CO)o1	in-vitro biogenic
NC(=O)Cc1ccc(O)c(O)c1	ZINC000002004381	15/51/76/169155176	PFDFJMIGPOJBQV-UHFFFAOYSA-N	0	167.164	AC	0.126	0	Clean	ref	ACCARN	NC(=O)Cc1ccc(O)c(O)c1	in-vitro biogenic
COc1cccc2c1C(=O)O[C@@H]2O	ZINC000003847618	27/36/30/168273630	URTPDSARMPGSPA-QMMMGPOBSA-N	0	180.159	AC	0.856	0	Anodyne	ref	ACAARN	COc1cccc2c1C(=O)O[C@@H]2O	in-vitro biogenic
COc1cccc2c1C(=O)O[C@H]2O	ZINC000003847619	27/40/69/168274069	URTPDSARMPGSPA-MRVPVSSYSA-N	0	180.159	AC	0.856	0	Anodyne	ref	ACAARN	COc1cccc2c1C(=O)O[C@H]2O	in-vitro biogenic
C=C(C)[C@@]1(O)OC(=O)C=C1OC	ZINC000003874657	12/83/15/166128315	YCOFRPYSZKIPBQ-MRVPVSSYSA-N	0	170.164	AC	0.338	0	Mild	ref	ACEARN	C=C(C)[C@@]1(O)OC(=O)C=C1OC	in-vitro biogenic
C=C(C)[C@]1(O)OC(=O)C=C1OC	ZINC000003874658	13/13/37/166131337	YCOFRPYSZKIPBQ-QMMMGPOBSA-N	0	170.164	AC	0.338	0	Mild	ref	ACEARN	C=C(C)[C@]1(O)OC(=O)C=C1OC	in-vitro biogenic
C[C@H](O)c1nc2ccccc2c(=O)[nH]1	ZINC000005319844	58/68/07/168586807	BMBSGGZMJQTQSO-LURJTMIESA-N	0	190.202	AC	0.976	0	Anodyne	ref	ACAARN	C[C@H](O)c1nc2ccccc2c(=O)[nH]1	in-vitro biogenic
COC1=CC(=O)O[C@]1(O)C(C)C	ZINC000005761259	16/15/15/171161515	XMLBVCBGTUQJHY-MRVPVSSYSA-N	0	172.18	AC	0.418	0	Anodyne	ref	ACAARN	COC1=CC(=O)O[C@]1(O)C(C)C	in-vitro biogenic
COC1=CC(=O)O[C@@]1(O)C(C)C	ZINC000005761484	16/15/09/171161509	XMLBVCBGTUQJHY-QMMMGPOBSA-N	0	172.18	AC	0.418	0	Anodyne	ref	ACAARN	COC1=CC(=O)O[C@@]1(O)C(C)C	in-vitro biogenic
COC(=O)/C=C/C1(O)C=CC(=O)C=C1	ZINC000006003943	07/90/97/168079097	HVMSPHGUKBLNCL-QPJJXVBHSA-N	0	194.186	AC	0.142	0	Mild	ref	ACEARN	COC(=O)/C=C/C1(O)C=CC(=O)C=C1	in-vitro biogenic
O[C@H]1C[C@@H](O)c2ccccc2[C@H]1O	ZINC000006117446	85/89/70/571858970	JZINUBOCUVPLGH-KXUCPTDWSA-N	0	180.203	AC	0.518	0	Anodyne	ref	ACAERN	O[C@H]1C[C@@H](O)c2ccccc2[C@H]1O	 
O[C@@H]1C[C@@H](O)[C@H](O)c2ccccc21	ZINC000006117447	85/95/98/571859598	JZINUBOCUVPLGH-OPRDCNLKSA-N	0	180.203	AC	0.518	0	Anodyne	ref	ACAERN	O[C@@H]1C[C@@H](O)[C@H](O)c2ccccc21	 
CC(=O)N[C@@H](CO)Cc1ccccc1	ZINC000012030920	28/12/05/166281205	OKDZNDUPIRUYLF-LLVKDONJSA-N	0	193.246	AC	0.726	0	Anodyne	ref	ACAARN	CC(=O)N[C@@H](CO)Cc1ccccc1	in-vitro biogenic
CC(=O)N[C@H](CO)Cc1ccccc1	ZINC000012030923	28/15/49/166281549	OKDZNDUPIRUYLF-NSHDSACASA-N	0	193.246	AC	0.726	0	Anodyne	ref	ACAARN	CC(=O)N[C@H](CO)Cc1ccccc1	in-vitro biogenic
O=C(CCO)c1ccc(O)cc1	ZINC000013118172	31/79/97/169317997	LTEPZFZSPZASKJ-UHFFFAOYSA-N	-1	166.176	AC	0.957	1	Anodyne	mid	ACAAMM	O=C(CCO)c1ccc([O-])cc1	in-man endogenous
O=C(CCO)c1ccc(O)cc1	ZINC000013118172	31/79/96/169317996	LTEPZFZSPZASKJ-UHFFFAOYSA-N	0	166.176	AC	0.957	0	Anodyne	ref	ACAARN	O=C(CCO)c1ccc(O)cc1	in-man endogenous
CC[C@@H](C)[C@H]1NC(=O)[C@@H](C)NC1=O	ZINC000013413533	36/89/66/351368966	JDRIJDPCYNFZIT-FSDSQADBSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACABRN	CC[C@@H](C)[C@H]1NC(=O)[C@@H](C)NC1=O	in-vitro biogenic
CC[C@H](C)[C@H]1NC(=O)[C@@H](C)NC1=O	ZINC000013413536	63/29/78/167632978	JDRIJDPCYNFZIT-RRKCRQDMSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACAARN	CC[C@H](C)[C@H]1NC(=O)[C@@H](C)NC1=O	in-vitro biogenic
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](C)NC1=O	ZINC000013413539	49/05/58/167490558	JDRIJDPCYNFZIT-QYNIQEEDSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACABRN	CC[C@@H](C)[C@@H]1NC(=O)[C@@H](C)NC1=O	in-vitro biogenic
CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC1=O	ZINC000013413542	62/84/50/167628450	JDRIJDPCYNFZIT-XVMARJQXSA-N	0	184.239	AC	0.036	0	Anodyne	ref	ACAARN	CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC1=O	in-vitro biogenic
O=C1C=CCCN1	ZINC000013480243	36/68/28/169366828	OXRRHYRRQWIHIV-UHFFFAOYSA-N	0	97.117	AC	0.062	0	Anodyne	ref	ACAARN	O=C1C=CCCN1	in-vitro biogenic
OCc1ccc(O)cn1	ZINC000014455323	37/41/05/351374105	NESFDGDRYVANBC-UHFFFAOYSA-N	-1	125.127	AC	0.28	3	Anodyne	high	ACAAHM	[O-]c1ccc(CO)nc1	in-vitro biogenic
OCc1ccc(O)cn1	ZINC000014455323	37/41/03/351374103	NESFDGDRYVANBC-UHFFFAOYSA-N	0	125.127	AC	0.28	0	Anodyne	ref	ACAARN	OCc1ccc(O)cn1	in-vitro biogenic
O=CNC(=O)Cc1ccc(O)cc1	ZINC000014502893	39/83/95/169398395	IQNWAPIUVGZUGO-UHFFFAOYSA-N	0	179.175	AC	0.207	0	Anodyne	ref	ACABRN	O=CNC(=O)Cc1ccc(O)cc1	in-vitro biogenic
C[C@@H](O)[C@@H](O)c1ccc(O)cc1	ZINC000014504429	39/79/88/168397988	PIYCCGIPUXJHIW-HZGVNTEJSA-N	0	168.192	AC	0.806	0	Anodyne	ref	ACAARN	C[C@@H](O)[C@@H](O)c1ccc(O)cc1	in-vitro biogenic
C[C@H](O)[C@@H](O)c1ccc(O)cc1	ZINC000014504432	03/92/99/343039299	PIYCCGIPUXJHIW-IMTBSYHQSA-N	0	168.192	AC	0.806	0	Anodyne	ref	ACAARN	C[C@H](O)[C@@H](O)c1ccc(O)cc1	in-vitro biogenic
C[C@@H](O)[C@H](O)c1ccc(O)cc1	ZINC000014504434	39/89/59/168398959	PIYCCGIPUXJHIW-MUWHJKNJSA-N	0	168.192	AC	0.806	0	Anodyne	ref	ACAARN	C[C@@H](O)[C@H](O)c1ccc(O)cc1	in-vitro biogenic
C[C@H](O)[C@H](O)c1ccc(O)cc1	ZINC000014504437	03/92/89/343039289	PIYCCGIPUXJHIW-RCOVLWMOSA-N	0	168.192	AC	0.806	0	Anodyne	ref	ACAARN	C[C@H](O)[C@H](O)c1ccc(O)cc1	in-vitro biogenic
CC(C)(O)[C@@H]1CC[C@](C)(O)C[C@@H]1O	ZINC000014588537	37/37/84/351373784	JRNAYJOJYCECDH-WEDXCCLWSA-N	0	188.267	AC	0.669	0	Anodyne	ref	ACAARN	CC(C)(O)[C@@H]1CC[C@](C)(O)C[C@@H]1O	in-vitro biogenic
CC(C)(O)[C@H]1CC[C@](C)(O)C[C@@H]1O	ZINC000014588538	37/50/88/351375088	JRNAYJOJYCECDH-NRPADANISA-N	0	188.267	AC	0.669	0	Anodyne	ref	ACAARN	CC(C)(O)[C@H]1CC[C@](C)(O)C[C@@H]1O	in-vitro biogenic
C[C@@H]1C[C@@H](O)/C=C/[C@@H](O)/C=C\C(=O)O1	ZINC000014594567	46/69/15/168466915	MKPZLFSGCUYQEY-FCOVNKKWSA-N	0	198.218	AC	0.156	0	Anodyne	ref	ACAARN	C[C@@H]1C[C@@H](O)/C=C/[C@@H](O)/C=C\C(=O)O1	in-vitro biogenic
C[C@@H]1C[C@H](O)/C=C/[C@@H](O)/C=C\C(=O)O1	ZINC000014594569	37/51/99/351375199	MKPZLFSGCUYQEY-JKPBTABPSA-N	0	198.218	AC	0.156	0	Anodyne	ref	ACAARN	C[C@@H]1C[C@H](O)/C=C/[C@@H](O)/C=C\C(=O)O1	in-vitro biogenic
CCCC1=CC(=O)[C@@H](O)[C@H]1O	ZINC000014721822	03/98/89/343039889	LFRFNLMDZHTVHB-JGVFFNPUSA-N	-1	156.181	AC	0.017	3	Mild	high	ACEAHM	CCCC1CC(=O)C(O)=C1[O-]	in-vitro biogenic
CCCC1=CC(=O)[C@@H](O)[C@H]1O	ZINC000014721822	03/98/88/343039888	LFRFNLMDZHTVHB-JGVFFNPUSA-N	0	156.181	AC	0.017	1	Mild	mid	ACEAMN	CCCC1CC(=O)C(O)=C1O	in-vitro biogenic
CCCC1=CC(=O)[C@@H](O)[C@H]1O	ZINC000014721822	03/98/85/343039885	LFRFNLMDZHTVHB-JGVFFNPUSA-N	0	156.181	AC	0.017	0	Mild	ref	ACEARN	CCCC1CC(=O)C(=O)[C@H]1O	in-vitro biogenic
NC(=O)/C=C/c1ccc(O)cc1	ZINC000020216329	14/64/94/169146494	DSMLJOHWFORNLY-ZZXKWVIFSA-N	0	163.176	AC	0.891	0	Anodyne	ref	ACAARN	NC(=O)/C=C/c1ccc(O)cc1	in-vitro biogenic
C/C=C(/C(=O)O)N1C(=O)C=C(C)C1=O	ZINC000031161061	04/89/01/171048901	NFDKQFGUQFNACT-UTCJRWHESA-N	-1	195.174	AC	0.29	0	Anodyne	ref	ACAARM	C/C=C(/C(=O)[O-])N1C(=O)C=C(C)C1=O	in-vitro biogenic
C/C=C/[C@@H](O)CC(=O)O	ZINC000031161983	06/46/31/166064631	OFCNGPVEUCUWSR-WVSAJJKCSA-N	-1	130.143	AC	0.398	0	Anodyne	ref	ACAARM	C/C=C/[C@@H](O)CC(=O)[O-]	in-vitro biogenic
C/C=C/[C@H](O)CC(=O)O	ZINC000031161987	06/61/23/166066123	OFCNGPVEUCUWSR-HRJJCQLASA-N	-1	130.143	AC	0.398	0	Anodyne	ref	ACAARM	C/C=C/[C@H](O)CC(=O)[O-]	in-vitro biogenic
CC(=O)C1=C(C)N[C@H](C)CC1=O	ZINC000031165093	23/53/71/166235371	ZVVZLQBYQRVNQJ-RXMQYKEDSA-N	0	167.208	AC	0.8	0	Mild	ref	ACEARN	CC(=O)C1=C(C)N[C@H](C)CC1=O	in-vitro biogenic
CC(=O)C1=C(C)N[C@@H](C)CC1=O	ZINC000031165097	23/47/03/166234703	ZVVZLQBYQRVNQJ-YFKPBYRVSA-N	0	167.208	AC	0.8	0	Mild	ref	ACEARN	CC(=O)C1=C(C)N[C@@H](C)CC1=O	in-vitro biogenic
C[C@@H](O)[C@@H](O)/C=C/c1cccc(=O)o1	ZINC000031166456	39/69/62/168396962	HAMNKHJHOZJTEE-FLHCDVKPSA-N	0	196.202	AC	0.395	0	Anodyne	ref	ACAARN	C[C@@H](O)[C@@H](O)/C=C/c1cccc(=O)o1	in-vitro biogenic
C[C@H](O)[C@@H](O)/C=C/c1cccc(=O)o1	ZINC000031166460	09/29/47/343092947	HAMNKHJHOZJTEE-PCAUVNBSSA-N	0	196.202	AC	0.395	0	Anodyne	ref	ACAARN	C[C@H](O)[C@@H](O)/C=C/c1cccc(=O)o1	in-vitro biogenic
C[C@@H](O)[C@H](O)/C=C/c1cccc(=O)o1	ZINC000031166463	39/93/41/168399341	HAMNKHJHOZJTEE-VZRAIFRISA-N	0	196.202	AC	0.395	0	Anodyne	ref	ACAARN	C[C@@H](O)[C@H](O)/C=C/c1cccc(=O)o1	in-vitro biogenic
C[C@H](O)[C@H](O)/C=C/c1cccc(=O)o1	ZINC000031166467	09/30/92/343093092	HAMNKHJHOZJTEE-LHFUQYOZSA-N	0	196.202	AC	0.395	0	Anodyne	ref	ACAARN	C[C@H](O)[C@H](O)/C=C/c1cccc(=O)o1	in-vitro biogenic
C[C@@H]1C[C@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	ZINC000035458088	45/01/99/351450199	MKPZLFSGCUYQEY-ONSVQNCISA-N	0	198.218	AC	0.156	0	Anodyne	ref	ACAARN	C[C@@H]1C[C@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	in-vitro biogenic
C[C@H]1C[C@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	ZINC000035458091	13/25/69/343132569	MKPZLFSGCUYQEY-YIYNDRPXSA-N	0	198.218	AC	0.156	0	Anodyne	ref	ACABRN	C[C@H]1C[C@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	in-vitro biogenic
C[C@@H]1C[C@@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	ZINC000035458095	46/67/26/168466726	MKPZLFSGCUYQEY-ITIVWUPMSA-N	0	198.218	AC	0.156	0	Anodyne	ref	ACAARN	C[C@@H]1C[C@@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	in-vitro biogenic
C[C@H]1C[C@@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	ZINC000035458099	65/20/04/168652004	MKPZLFSGCUYQEY-WYKLRKJWSA-N	0	198.218	AC	0.156	0	Anodyne	ref	ACABRN	C[C@H]1C[C@@H](O)/C=C/[C@H](O)/C=C\C(=O)O1	in-vitro biogenic
CC(C)=CCC[C@](C)(O)[C@H](O)CO	ZINC000036372690	41/48/00/166414800	AAUZPDAUBFXASQ-ZJUUUORDSA-N	0	188.267	AC	0.837	0	Anodyne	ref	ACAARN	CC(C)=CCC[C@](C)(O)[C@H](O)CO	in-vitro biogenic
CC(C)=CCC[C@](C)(O)[C@@H](O)CO	ZINC000036372691	45/65/72/351456572	AAUZPDAUBFXASQ-UWVGGRQHSA-N	0	188.267	AC	0.837	0	Anodyne	ref	ACAARN	CC(C)=CCC[C@](C)(O)[C@@H](O)CO	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@@H](C)C(N)=O	ZINC000049601661	54/72/41/351547241	KYKBHRVKONYRBO-KTERXBQFSA-N	0	171.24	AC	0.825	0	Anodyne	ref	ACAARN	CC/C=C(\C)[C@H](O)[C@@H](C)C(N)=O	in-vitro biogenic
CC/C=C(\C)[C@@H](O)[C@@H](C)C(N)=O	ZINC000049601663	54/67/30/351546730	KYKBHRVKONYRBO-ZZTMBZGHSA-N	0	171.24	AC	0.825	0	Anodyne	ref	ACAARN	CC/C=C(\C)[C@@H](O)[C@@H](C)C(N)=O	in-vitro biogenic
CC/C=C(\C)[C@H](O)[C@H](C)C(N)=O	ZINC000049601665	54/69/21/351546921	KYKBHRVKONYRBO-JBGJSGBSSA-N	0	171.24	AC	0.825	0	Anodyne	ref	ACAARN	CC/C=C(\C)[C@H](O)[C@H](C)C(N)=O	in-vitro biogenic
CC/C=C(\C)[C@@H](O)[C@H](C)C(N)=O	ZINC000049601667	54/69/28/351546928	KYKBHRVKONYRBO-LXBADBFVSA-N	0	171.24	AC	0.825	0	Anodyne	ref	ACAARN	CC/C=C(\C)[C@@H](O)[C@H](C)C(N)=O	in-vitro biogenic
COC(=O)C1=CCCN(C)C1	ZINC000052541469	08/15/87/168081587	HJJPJSXJAXAIPN-UHFFFAOYSA-N	0	155.197	AC	0.421	3	Anodyne	high	ACAAHN	COC(=O)C1=CCCN(C)C1	in-man endogenous
COC(=O)C1=CCCN(C)C1	ZINC000052541469	08/15/86/168081586	HJJPJSXJAXAIPN-UHFFFAOYSA-N	1	155.197	AC	0.421	1	Anodyne	mid	ACAAMO	COC(=O)C1=CCC[N@@H+](C)C1	in-man endogenous
COC(=O)C1=CCCN(C)C1	ZINC000052541469	08/15/82/168081582	HJJPJSXJAXAIPN-UHFFFAOYSA-N	1	155.197	AC	0.421	0	Anodyne	ref	ACAARO	COC(=O)C1=CCC[N@H+](C)C1	in-man endogenous
CC(C)[C@](C)(O)CC(=O)O	ZINC000052884035	31/13/59/343311359	ARJHZOQTMKOGOQ-SSDOTTSWSA-N	-1	146.186	AC	0.868	0	Anodyne	ref	ACAARM	CC(C)[C@](C)(O)CC(=O)[O-]	in-vitro biogenic
CC(C)[C@@](C)(O)CC(=O)O	ZINC000052884036	31/09/99/343310999	ARJHZOQTMKOGOQ-ZETCQYMHSA-N	-1	146.186	AC	0.868	0	Anodyne	ref	ACAARM	CC(C)[C@@](C)(O)CC(=O)[O-]	in-vitro biogenic
O=C(O)[C@@H](O)CCc1ccc(O)cc1	ZINC000067913252	34/57/25/169345725	NDXWYVRAUFPPEJ-VIFPVBQESA-N	-1	196.202	AC	0.77	0	Anodyne	ref	ACAARM	O=C([O-])[C@@H](O)CCc1ccc(O)cc1	in-vitro biogenic
O=C(O)[C@H](O)CCc1ccc(O)cc1	ZINC000067913254	35/11/82/169351182	NDXWYVRAUFPPEJ-SECBINFHSA-N	-1	196.202	AC	0.77	0	Anodyne	ref	ACAARM	O=C([O-])[C@H](O)CCc1ccc(O)cc1	in-vitro biogenic
NC(=O)/C=C\c1ccc(O)cc1	ZINC000085475807	14/66/85/169146685	DSMLJOHWFORNLY-UTCJRWHESA-N	0	163.176	AC	0.891	0	Anodyne	ref	ACAARN	NC(=O)/C=C\c1ccc(O)cc1	in-vitro biogenic
CC(C)(O)[C@H]1CC[C@](C)(O)C[C@H]1O	ZINC000086034568	41/27/49/166412749	JRNAYJOJYCECDH-XKSSXDPKSA-N	0	188.267	AC	0.669	0	Anodyne	ref	ACABRN	CC(C)(O)[C@H]1CC[C@](C)(O)C[C@H]1O	in-vitro biogenic
CC(C)(O)[C@@H]1CC[C@](C)(O)C[C@H]1O	ZINC000086034581	65/51/80/351655180	JRNAYJOJYCECDH-MRTMQBJTSA-N	0	188.267	AC	0.669	0	Anodyne	ref	ACABRN	CC(C)(O)[C@@H]1CC[C@](C)(O)C[C@H]1O	in-vitro biogenic
CC[C@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O	ZINC000095060662	67/85/54/343678554	CEIZFXOZIQNICU-YLWLKBPMSA-N	-1	197.234	AC	0.932	1	Mild	mid	ACEBMM	CC[C@H](C)[C@H]1NC(=O)C(=C(C)[O-])C1=O	in-man endogenous
CC[C@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O	ZINC000095060662	67/85/49/343678549	CEIZFXOZIQNICU-YLWLKBPMSA-N	-1	197.234	AC	0.932	0	Mild	ref	ACEBRM	CC[C@H](C)[C@H]1NC(=O)C(C(C)=O)=C1[O-]	in-man endogenous
CC[C@H](C)[C@@H]1NC(=O)C(C(C)=O)=C1O	ZINC000095671351	68/54/84/343685484	CEIZFXOZIQNICU-XNCJUZBTSA-N	-1	197.234	AC	0.932	1	Mild	mid	ACEAMM	CC[C@H](C)[C@@H]1NC(=O)C(=C(C)[O-])C1=O	in-man endogenous
CC[C@H](C)[C@@H]1NC(=O)C(C(C)=O)=C1O	ZINC000095671351	68/54/83/343685483	CEIZFXOZIQNICU-XNCJUZBTSA-N	-1	197.234	AC	0.932	0	Mild	ref	ACEARM	CC[C@H](C)[C@@H]1NC(=O)C(C(C)=O)=C1[O-]	in-man endogenous
CC[C@@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O	ZINC000100061146	68/91/51/351689151	CEIZFXOZIQNICU-SVGQVSJJSA-N	-1	197.234	AC	0.932	1	Mild	mid	ACEAMM	CC[C@@H](C)[C@H]1NC(=O)C(=C(C)[O-])C1=O	in-man endogenous
CC[C@@H](C)[C@H]1NC(=O)C(C(C)=O)=C1O	ZINC000100061146	68/91/46/351689146	CEIZFXOZIQNICU-SVGQVSJJSA-N	-1	197.234	AC	0.932	0	Mild	ref	ACEARM	CC[C@@H](C)[C@H]1NC(=O)C(C(C)=O)=C1[O-]	in-man endogenous