CCC(=O)Nc1ccc(O)cc1	ZINC000000001888	92/37/88/342923788	SSMYTAQHMUHRSK-UHFFFAOYSA-N	0	165.192	AD	1.741	0	Anodyne	ref	ADAARN	CCC(=O)Nc1ccc(O)cc1	in-man
NCC1(CC(=O)O)CCCCC1	ZINC000000004949	92/37/07/342923707	UGJMXCAKCUNAIE-UHFFFAOYSA-N	0	171.24	AD	1.37	0	Anodyne	ref	ADAARN	[NH3+]CC1(CC(=O)[O-])CCCCC1	fda
Oc1cccc2cccnc12	ZINC000000008492	26/79/40/351267940	MCJGNVYPOGVAJF-UHFFFAOYSA-N	0	145.161	AD	1.94	0	Anodyne	ref	ADAARN	Oc1cccc2cccnc12	fda metabolite
Cc1sc(N)c(C(N)=O)c1C	ZINC000000032153	01/57/55/169015755	ZKXSEMXZKAQARN-UHFFFAOYSA-N	0	170.237	AD	1.046	0	Anodyne	ref	ADAARN	Cc1sc(N)c(C(N)=O)c1C	 
NC(=O)c1c(N)sc2c1CCCC2	ZINC000000035817	16/40/05/169164005	FFAKFORHXDNYEN-UHFFFAOYSA-N	0	196.275	AD	1.308	0	Anodyne	ref	ADAARN	NC(=O)c1c(N)sc2c1CCCC2	 
CCc1nc(C)ccc1O	ZINC000000036605	92/45/81/342924581	JPGDYIGSCHWQCC-UHFFFAOYSA-N	1	137.182	AD	1.658	2	Anodyne	low	ADAALO	CCc1[nH+]c(C)ccc1O	 
CCc1nc(C)ccc1O	ZINC000000036605	92/45/78/342924578	JPGDYIGSCHWQCC-UHFFFAOYSA-N	0	137.182	AD	1.658	0	Anodyne	ref	ADAARN	CCc1nc(C)ccc1O	 
O=C(O)/C=C/C(=O)c1ccccc1	ZINC000000039041	33/46/24/169334624	PLPDHGOODMBBGN-VOTSOKGWSA-N	-1	176.171	AD	1.51	0	Mild	ref	ADEARM	O=C([O-])/C=C/C(=O)c1ccccc1	 
O=C(O)COc1ccccc1[N+](=O)[O-]	ZINC000000043872	34/21/55/169342155	TYHHDWAHJRRYCU-UHFFFAOYSA-N	-1	197.146	AD	1.058	0	Bother	ref	ADBARM	O=C([O-])COc1ccccc1[N+](=O)[O-]	in-vitro
CCc1ccc(OCC(=O)O)cc1	ZINC000000047638	92/49/41/342924941	WVELHLIHMYYZAT-UHFFFAOYSA-N	-1	180.203	AD	1.712	0	Anodyne	ref	ADAARM	CCc1ccc(OCC(=O)[O-])cc1	 
NC[C@H](CC(=O)O)c1ccccc1	ZINC000000052604	21/18/27/169211827	DAFOCGYVTAOKAJ-VIFPVBQESA-N	0	179.219	AD	1.204	0	Anodyne	ref	ADAARN	[NH3+]C[C@H](CC(=O)[O-])c1ccccc1	in-man
NC[C@@H](CC(=O)O)c1ccccc1	ZINC000000052605	20/19/23/169201923	DAFOCGYVTAOKAJ-SECBINFHSA-N	0	179.219	AD	1.204	0	Anodyne	ref	ADAARN	[NH3+]C[C@@H](CC(=O)[O-])c1ccccc1	in-man
OCc1ccccc1CN1CCCC1	ZINC000000054753	26/95/17/351269517	PFXHKECPFIBDRU-UHFFFAOYSA-N	0	191.274	AD	1.775	3	Anodyne	high	ADAAHN	OCc1ccccc1CN1CCCC1	 
OCc1ccccc1CN1CCCC1	ZINC000000054753	26/95/06/351269506	PFXHKECPFIBDRU-UHFFFAOYSA-N	1	191.274	AD	1.775	0	Anodyne	ref	ADAARO	OCc1ccccc1C[NH+]1CCCC1	 
COc1ccc2[nH]cc(CCN)c2c1	ZINC000000057163	92/53/96/342925396	JTEJPPKMYBDEMY-UHFFFAOYSA-N	1	190.246	AD	1.678	0	Anodyne	ref	ADAARO	COc1ccc2[nH]cc(CC[NH3+])c2c1	investigational endogenous
O=C(O)c1ccc(Br)o1	ZINC000000066017	35/75/87/169357587	YVTQHZDUDUCGRD-UHFFFAOYSA-N	-1	190.98	AD	1.74	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(Br)o1	in-vitro
COc1ccc(O[C@@H](C)C(=O)O)cc1	ZINC000000073632	25/66/66/168256666	MIEKOFWWHVOKQX-ZETCQYMHSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccc(O[C@@H](C)C(=O)[O-])cc1	in-man endogenous
COc1ccc(O[C@H](C)C(=O)O)cc1	ZINC000000073634	25/69/33/168256933	MIEKOFWWHVOKQX-SSDOTTSWSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccc(O[C@H](C)C(=O)[O-])cc1	in-man endogenous
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
O=C(O)COc1ccc([N+](=O)[O-])cc1	ZINC000000078021	34/21/11/169342111	AVDLFIONKHGQAP-UHFFFAOYSA-N	-1	197.146	AD	1.058	0	Bother	ref	ADBARM	O=C([O-])COc1ccc([N+](=O)[O-])cc1	 
COc1ccc(OCC(=O)O)cc1	ZINC000000078023	25/66/71/168256671	BHFSBJHPPFJCOS-UHFFFAOYSA-N	-1	182.175	AD	1.159	0	Anodyne	ref	ADAARM	COc1ccc(OCC(=O)[O-])cc1	 
CC(=O)N1CCc2cccc(N)c21	ZINC000000080840	26/74/12/166267412	ZFSYJCQFOKJSFE-UHFFFAOYSA-N	0	176.219	AD	1.178	0	Anodyne	ref	ADAARN	CC(=O)N1CCc2cccc(N)c21	 
Cc1ccccc1OCC(=O)O	ZINC000000080893	92/57/63/342925763	QJVXBRUGKLCUMY-UHFFFAOYSA-N	-1	166.176	AD	1.458	0	Anodyne	ref	ADAARM	Cc1ccccc1OCC(=O)[O-]	 
O=C1CCCN1c1ccccc1	ZINC000000081089	37/14/12/169371412	JMVIVASFFKKFQK-UHFFFAOYSA-N	0	161.204	AD	1.813	0	Anodyne	ref	ADAARN	O=C1CCCN1c1ccccc1	in-vitro
O=C(O)c1ccc2ccccc2n1	ZINC000000084153	92/65/82/342926582	LOAUVZALPPNFOQ-UHFFFAOYSA-N	-1	173.171	AD	1.933	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc2ccccc2n1	in-man endogenous
Cc1ccc(OCC(=O)O)cc1C	ZINC000000084182	92/62/30/342926230	GIEQJKZWTIFEJM-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1ccc(OCC(=O)[O-])cc1C	 
Cc1ccc(OCC(=O)O)cc1	ZINC000000084957	82/97/72/168829772	SFTDDFBJWUWKMN-UHFFFAOYSA-N	-1	166.176	AD	1.458	0	Anodyne	ref	ADAARM	Cc1ccc(OCC(=O)[O-])cc1	 
CC(C)(C)NC(=O)c1ccccc1N	ZINC000000098465	36/39/67/166363967	YHBZJCBYHUVKCM-UHFFFAOYSA-N	0	192.262	AD	1.797	0	Anodyne	ref	ADAARN	CC(C)(C)NC(=O)c1ccccc1N	 
C[C@@H](C(=O)O)n1cccc1	ZINC000000106408	32/99/90/168329990	MTHRJNLVFAQKOG-LURJTMIESA-N	-1	139.154	AD	1.134	0	Anodyne	ref	ADAARM	C[C@@H](C(=O)[O-])n1cccc1	 
C[C@H](C(=O)O)n1cccc1	ZINC000000106411	51/61/29/168516129	MTHRJNLVFAQKOG-ZCFIWIBFSA-N	-1	139.154	AD	1.134	0	Anodyne	ref	ADAARM	C[C@H](C(=O)[O-])n1cccc1	 
Nc1ccccc1C(=O)N1CCCC1	ZINC000000106731	29/88/48/169298848	AAHCONIDGZPHOL-UHFFFAOYSA-N	0	190.246	AD	1.505	0	Anodyne	ref	ADAARN	Nc1ccccc1C(=O)N1CCCC1	 
O=C(O)COc1ccccc1Cl	ZINC000000117582	34/16/88/169341688	OPQYFNRLWBWCST-UHFFFAOYSA-N	-1	186.594	AD	1.803	0	Anodyne	ref	ADAARM	O=C([O-])COc1ccccc1Cl	 
CC[C@H](Oc1ccccc1)C(=O)O	ZINC000000119444	92/75/05/342927505	TVSPPYGAFOVROT-VIFPVBQESA-N	-1	180.203	AD	1.929	0	Anodyne	ref	ADAARM	CC[C@H](Oc1ccccc1)C(=O)[O-]	 
CC[C@@H](Oc1ccccc1)C(=O)O	ZINC000000119448	92/71/93/342927193	TVSPPYGAFOVROT-SECBINFHSA-N	-1	180.203	AD	1.929	0	Anodyne	ref	ADAARM	CC[C@@H](Oc1ccccc1)C(=O)[O-]	 
CCOc1ccc(C(=O)O)cc1	ZINC000000120469	41/38/77/167413877	SHSGDXCJYVZFTP-UHFFFAOYSA-N	-1	166.176	AD	1.783	0	Anodyne	ref	ADAARM	CCOc1ccc(C(=O)[O-])cc1	 
Cc1cccc(C)c1OCC(=O)O	ZINC000000120508	86/36/86/168863686	MLBCURLNKYKBEQ-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1cccc(C)c1OCC(=O)[O-]	in-vivo
Cc1cc(C)c2c(n1)SCC2=O	ZINC000000120811	92/74/58/342927458	UNQPXCPQBYBKCL-UHFFFAOYSA-N	0	179.244	AD	1.987	2	Anodyne	low	ADAALN	Cc1cc(C)c2c(O)csc2n1	 
Cc1cc(C)c2c(n1)SCC2=O	ZINC000000120811	92/74/55/342927455	UNQPXCPQBYBKCL-UHFFFAOYSA-N	-1	179.244	AD	1.987	0	Anodyne	ref	ADAARM	Cc1cc(C)c2c([O-])csc2n1	 
CCC(=O)Nc1ccc(N)cc1	ZINC000000123135	92/73/05/342927305	MOUFEEIQCXUUMY-UHFFFAOYSA-N	0	164.208	AD	1.617	0	Clean	ref	ADCARN	CCC(=O)Nc1ccc(N)cc1	 
Cc1ccc(OCC(=O)O)c(C)c1	ZINC000000123148	82/97/58/168829758	XRTZHWXWLUGOAT-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1ccc(OCC(=O)[O-])c(C)c1	 
Nc1ccc(C(=O)N2CCCC2)cc1	ZINC000000128107	29/17/55/169291755	WDNQOCWBZBGFHU-UHFFFAOYSA-N	0	190.246	AD	1.505	0	Anodyne	ref	ADAARN	Nc1ccc(C(=O)N2CCCC2)cc1	 
Cc1ccc(C)c(OCC(=O)O)c1	ZINC000000142182	92/82/53/342928253	RSJMMLSDGNQOEO-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1ccc(C)c(OCC(=O)[O-])c1	 
O=C(O)CCC(=O)NC1CCCCC1	ZINC000000143433	92/83/41/342928341	QPFZDZLAUAIBLL-UHFFFAOYSA-N	-1	199.25	AD	1.3	0	Anodyne	ref	ADAARM	O=C([O-])CCC(=O)NC1CCCCC1	 
COc1ccccc1OCC(=O)O	ZINC000000143613	92/81/84/342928184	IHONYPFTXGQWAX-UHFFFAOYSA-N	-1	182.175	AD	1.159	0	Anodyne	ref	ADAARM	COc1ccccc1OCC(=O)[O-]	 
COC(=O)c1ccccc1NC(C)=O	ZINC000000144268	13/45/44/168134544	UYQKZKVNYKOXHG-UHFFFAOYSA-N	0	193.202	AD	1.432	0	Anodyne	ref	ADAARN	COC(=O)c1ccccc1NC(C)=O	in-man endogenous
CCC(=O)Nc1cccc(O)c1	ZINC000000146666	92/81/60/342928160	YXSKGOCVSTWEJU-UHFFFAOYSA-N	0	165.192	AD	1.741	0	Anodyne	ref	ADAARN	CCC(=O)Nc1cccc(O)c1	 
COc1ccccc1/C=C/C(=O)O	ZINC000000149577	27/68/61/168276861	FEGVSPGUHMGGBO-VOTSOKGWSA-N	-1	178.187	AD	1.793	0	Anodyne	ref	ADAARM	COc1ccccc1/C=C/C(=O)[O-]	in-vitro biogenic
CC(=O)Nc1cc(N)ccc1C	ZINC000000152510	99/21/32/170992132	UAZGSMMESOKKQZ-UHFFFAOYSA-N	0	164.208	AD	1.536	0	Anodyne	ref	ADAARN	CC(=O)Nc1cc(N)ccc1C	 
O=C(O)/C=C/c1ccc([N+](=O)[O-])s1	ZINC000000152642	33/44/96/169334496	IIJCRPJUZLOCIE-DUXPYHPUSA-N	-1	199.187	AD	1.754	0	Bother	ref	ADBARM	O=C([O-])/C=C/c1ccc([N+](=O)[O-])s1	in-vitro
CC[C@@H](C)NC(=O)c1ccccc1N	ZINC000000152663	27/08/96/351270896	UOKULICTTSTSHO-MRVPVSSYSA-N	0	192.262	AD	1.797	0	Anodyne	ref	ADAARN	CC[C@@H](C)NC(=O)c1ccccc1N	 
CC[C@H](C)NC(=O)c1ccccc1N	ZINC000000152664	61/25/47/167612547	UOKULICTTSTSHO-QMMMGPOBSA-N	0	192.262	AD	1.797	0	Anodyne	ref	ADAARN	CC[C@H](C)NC(=O)c1ccccc1N	 
Cc1cccc(OCC(=O)O)c1C	ZINC000000153562	92/86/23/342928623	AVDBMBYECMTQJQ-UHFFFAOYSA-N	-1	180.203	AD	1.767	0	Anodyne	ref	ADAARM	Cc1cccc(OCC(=O)[O-])c1C	 
CC(C)Oc1cccc(CN)c1	ZINC000000153925	56/14/19/166561419	YRNFZPXUBVUYBJ-UHFFFAOYSA-N	1	165.236	AD	1.933	0	Anodyne	ref	ADAARO	CC(C)Oc1cccc(C[NH3+])c1	 
CC(C)Oc1ccc(CN)cc1	ZINC000000153926	56/04/24/166560424	BHCAOBYOKNTDLI-UHFFFAOYSA-N	1	165.236	AD	1.933	0	Anodyne	ref	ADAARO	CC(C)Oc1ccc(C[NH3+])cc1	 
O=C(O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000000154472	33/48/61/169334861	BBQDLDVSEDAYAA-AATRIKPKSA-N	-1	193.158	AD	1.693	0	Bother	ref	ADBARM	O=C([O-])/C=C/c1ccccc1[N+](=O)[O-]	 
COC(=O)c1cc(Cl)ccc1O	ZINC000000154587	12/87/86/168128786	KJWHRMZKJXOWFC-UHFFFAOYSA-N	0	186.594	AD	1.832	0	Anodyne	ref	ADAARN	COC(=O)c1cc(Cl)ccc1O	 
O=C(O)/C=C/c1cccs1	ZINC000000154897	33/48/98/169334898	KKMZQOIASVGJQE-ONEGZZNKSA-N	-1	154.19	AD	1.846	0	Anodyne	ref	ADAARM	O=C([O-])/C=C/c1cccs1	 
COc1ccc(CC#N)cc1OC	ZINC000000155251	24/87/53/168248753	ASLSUMISAQDOOB-UHFFFAOYSA-N	0	177.203	AD	1.77	0	Mild	ref	ADEARN	COc1ccc(CC#N)cc1OC	in-vitro
NC(=O)c1cc(Cl)ccc1O	ZINC000000156049	92/90/39/342929039	NNHMQZBVJPQCAK-UHFFFAOYSA-N	-1	171.583	AD	1.144	1	Anodyne	mid	ADAAMM	NC(=O)c1cc(Cl)ccc1[O-]	 
NC(=O)c1cc(Cl)ccc1O	ZINC000000156049	92/90/37/342929037	NNHMQZBVJPQCAK-UHFFFAOYSA-N	0	171.583	AD	1.144	0	Anodyne	ref	ADAARN	NC(=O)c1cc(Cl)ccc1O	 
O=C(O)Cc1ccccc1[N+](=O)[O-]	ZINC000000156503	34/38/25/169343825	WMUZDBZPDLHUMW-UHFFFAOYSA-N	-1	181.147	AD	1.222	0	Bother	ref	ADBARM	O=C([O-])Cc1ccccc1[N+](=O)[O-]	 
COc1ccc(CC(=O)O)cc1OC	ZINC000000156504	24/86/47/168248647	WUAXWQRULBZETB-UHFFFAOYSA-N	-1	196.202	AD	1.331	0	Anodyne	ref	ADAARM	COc1ccc(CC(=O)[O-])cc1OC	in-man endogenous
N#Cc1ccc(C=O)cc1	ZINC000000156750	11/95/81/169119581	WZWIQYMTQZCSKI-UHFFFAOYSA-N	0	131.134	AD	1.371	0	Mild	ref	ADEARN	N#Cc1ccc(C=O)cc1	 
CCOc1cccc(N)c1	ZINC000000157624	27/16/41/351271641	WEZAHYDFZNTGKE-UHFFFAOYSA-N	0	137.182	AD	1.667	0	Anodyne	ref	ADAARN	CCOc1cccc(N)c1	 
CC(C)C(=O)Nc1ccc(N)cc1	ZINC000000157653	27/15/43/351271543	YZENEPXJSXLINE-UHFFFAOYSA-N	0	178.235	AD	1.863	0	Clean	ref	ADCARN	CC(C)C(=O)Nc1ccc(N)cc1	 
CC(=O)N(C)c1ccc(N)cc1	ZINC000000158151	25/33/08/166253308	QFELUFGHFLYZEZ-UHFFFAOYSA-N	0	164.208	AD	1.252	0	Clean	ref	ADCARN	CC(=O)N(C)c1ccc(N)cc1	 
Nc1ccc2nccnc2c1	ZINC000000158699	29/55/34/169295534	MSGRFBKVMUKEGZ-UHFFFAOYSA-N	0	145.165	AD	1.212	0	Anodyne	ref	ADAARN	Nc1ccc2nccnc2c1	 
O=C(O)c1c[nH]c2ccccc12	ZINC000000158741	35/59/07/169355907	KMAKOBLIOCQGJP-UHFFFAOYSA-N	-1	161.16	AD	1.866	0	Anodyne	ref	ADAARM	O=C([O-])c1c[nH]c2ccccc12	in-man metabolite
COC(=O)NCc1ccccc1	ZINC000000161770	10/15/01/168101501	ZWZIHLRSOOMEKT-UHFFFAOYSA-N	0	165.192	AD	1.543	0	Anodyne	ref	ADAARN	COC(=O)NCc1ccccc1	 
Cc1ccc(O)c(C)n1	ZINC000000163498	93/05/90/342930590	AMQJAKKATFMFTR-UHFFFAOYSA-N	1	123.155	AD	1.404	2	Anodyne	low	ADAALO	Cc1ccc(O)c(C)[nH+]1	 
Cc1ccc(O)c(C)n1	ZINC000000163498	93/05/88/342930588	AMQJAKKATFMFTR-UHFFFAOYSA-N	0	123.155	AD	1.404	0	Anodyne	ref	ADAARN	Cc1ccc(O)c(C)n1	 
COC(=O)c1ccc(C(=O)O)cc1	ZINC000000163686	13/07/62/168130762	REIDAMBAPLIATC-UHFFFAOYSA-N	-1	180.159	AD	1.171	0	Anodyne	ref	ADAARM	COC(=O)c1ccc(C(=O)[O-])cc1	 
O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000000164538	33/42/65/169334265	XMMRNCHTDONGRJ-ZZXKWVIFSA-N	-1	193.158	AD	1.693	0	Bother	ref	ADBARM	O=C([O-])/C=C/c1ccc([N+](=O)[O-])cc1	in-vitro biogenic
CN1CCN(c2ccc(N)cc2)CC1	ZINC000000166196	17/84/00/132178400	MOZNZNKHRXRLLF-UHFFFAOYSA-N	0	191.278	AD	1.021	3	Clean	high	ADCAHN	CN1CCN(c2ccc(N)cc2)CC1	 
CN1CCN(c2ccc(N)cc2)CC1	ZINC000000166196	17/83/95/132178395	MOZNZNKHRXRLLF-UHFFFAOYSA-N	1	191.278	AD	1.021	0	Clean	ref	ADCARO	C[NH+]1CCN(c2ccc(N)cc2)CC1	 
CC(C)NC(=O)c1ccccc1N	ZINC000000170974	93/12/48/342931248	FWQYJOPJMIEKHZ-UHFFFAOYSA-N	0	178.235	AD	1.407	0	Anodyne	ref	ADAARN	CC(C)NC(=O)c1ccccc1N	 
COc1cccc(NC(C)=O)c1	ZINC000000171655	26/87/84/168268784	OIEFZHJNURGFFI-UHFFFAOYSA-N	0	165.192	AD	1.654	0	Anodyne	ref	ADAARN	COc1cccc(NC(C)=O)c1	 
Cc1ccc(/C=C/C(=O)O)o1	ZINC000000243961	93/19/64/342931964	CQCKLDAUFPKXPU-SNAWJCMRSA-N	-1	152.149	AD	1.686	0	Anodyne	ref	ADAARM	Cc1ccc(/C=C/C(=O)[O-])o1	 
CCC(=O)Nc1ccccc1O	ZINC000000244298	93/20/27/342932027	VIPCILFKUBQRCQ-UHFFFAOYSA-N	-1	165.192	AD	1.741	3	Anodyne	high	ADAAHM	CCC(=O)Nc1ccccc1[O-]	 
CCC(=O)Nc1ccccc1O	ZINC000000244298	93/20/26/342932026	VIPCILFKUBQRCQ-UHFFFAOYSA-N	0	165.192	AD	1.741	0	Anodyne	ref	ADAARN	CCC(=O)Nc1ccccc1O	 
C[C@H](Oc1ccccc1)C(=O)O	ZINC000000265135	58/80/04/168588004	SXERGJJQSKIUIC-ZETCQYMHSA-N	-1	166.176	AD	1.538	0	Anodyne	ref	ADAARM	C[C@H](Oc1ccccc1)C(=O)[O-]	 
C[C@@H](Oc1ccccc1)C(=O)O	ZINC000000265136	40/27/29/168402729	SXERGJJQSKIUIC-SSDOTTSWSA-N	-1	166.176	AD	1.538	0	Anodyne	ref	ADAARM	C[C@@H](Oc1ccccc1)C(=O)[O-]	 
COc1ccccc1O[C@@H](C)C(=O)O	ZINC000000265139	93/25/08/342932508	OPYAFQUFAKCNPN-ZETCQYMHSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccccc1O[C@@H](C)C(=O)[O-]	 
COc1ccccc1O[C@H](C)C(=O)O	ZINC000000265140	93/24/12/342932412	OPYAFQUFAKCNPN-SSDOTTSWSA-N	-1	196.202	AD	1.547	0	Anodyne	ref	ADAARM	COc1ccccc1O[C@H](C)C(=O)[O-]	 
O=C(O)/C=C/c1ccco1	ZINC000000266073	33/46/00/169334600	ZCJLOOJRNPHKAV-ONEGZZNKSA-N	-1	138.122	AD	1.377	0	Anodyne	ref	ADAARM	O=C([O-])/C=C/c1ccco1	 
C=CCc1ccccc1OCC(=O)O	ZINC000000274634	20/82/68/166208268	REOCVFHCRZMTTR-UHFFFAOYSA-N	-1	192.214	AD	1.878	0	Mild	ref	ADEARM	C=CCc1ccccc1OCC(=O)[O-]	 
Cc1cccc(C(=O)O)n1	ZINC000000336720	86/27/45/168862745	LTUUGSGSUZRPRV-UHFFFAOYSA-N	-1	137.138	AD	1.088	0	Anodyne	ref	ADAARM	Cc1cccc(C(=O)[O-])n1	 
O=C(O)c1noc2c1CCCC2	ZINC000000336991	93/44/24/342934424	JKHQSWWAHWCDFB-UHFFFAOYSA-N	-1	167.164	AD	1.252	0	Anodyne	ref	ADAARM	O=C([O-])c1noc2c1CCCC2	 
CCC(=O)Nc1cc(N)ccc1C	ZINC000000338084	93/43/40/342934340	PCPHNZHVBNIIAM-UHFFFAOYSA-N	0	178.235	AD	1.926	0	Anodyne	ref	ADAARN	CCC(=O)Nc1cc(N)ccc1C	 
O=C(O)CC1CCCC1	ZINC000000388161	27/68/71/351276871	YVHAIVPPUIZFBA-UHFFFAOYSA-N	-1	128.171	AD	1.651	0	Anodyne	ref	ADAARM	O=C([O-])CC1CCCC1	in-vitro
CCOc1ccccc1C(=O)O	ZINC000000388283	27/69/54/351276954	XDZMPRGFOOFSBL-UHFFFAOYSA-N	-1	166.176	AD	1.783	0	Anodyne	ref	ADAARM	CCOc1ccccc1C(=O)[O-]	 
Nc1ccc(F)c(F)c1	ZINC000000388528	93/59/55/342935955	AXNUZKSSQHTNPZ-UHFFFAOYSA-N	0	129.109	AD	1.547	0	Anodyne	ref	ADAARN	Nc1ccc(F)c(F)c1	 
COc1ccc(CCN)cc1OC	ZINC000000388739	24/92/14/168249214	ANOUKFYBOAKOIR-UHFFFAOYSA-N	1	181.235	AD	1.205	0	Anodyne	ref	ADAARO	COc1ccc(CC[NH3+])cc1OC	investigational endogenous
CCOC(=O)c1cccc(O)c1	ZINC000000388755	37/27/55/167372755	MWSMNBYIEBRXAL-UHFFFAOYSA-N	0	166.176	AD	1.569	0	Anodyne	ref	ADAARN	CCOC(=O)c1cccc(O)c1	 
COC(=O)c1cccc(O)c1	ZINC000000388757	13/42/73/168134273	YKUCHDXIBAQWSF-UHFFFAOYSA-N	0	152.149	AD	1.179	0	Anodyne	ref	ADAARN	COC(=O)c1cccc(O)c1	in-vitro biogenic
COc1ccc(N)c(C)c1	ZINC000000391181	25/45/54/168254554	CDGNLUSBENXDGG-UHFFFAOYSA-N	0	137.182	AD	1.586	0	Anodyne	ref	ADAARN	COc1ccc(N)c(C)c1	in-vitro
NC(=O)COc1ccccc1Cl	ZINC000000391377	15/28/87/169152887	VFUNLXYSSCTXBG-UHFFFAOYSA-N	0	185.61	AD	1.204	0	Anodyne	ref	ADAARN	NC(=O)COc1ccccc1Cl	 
Cc1cccc(OCC(=O)O)c1	ZINC000000393770	87/17/08/168871708	VZECTCSEONQIPP-UHFFFAOYSA-N	-1	166.176	AD	1.458	0	Anodyne	ref	ADAARM	Cc1cccc(OCC(=O)[O-])c1	 
O=C(CS)Nc1ccccc1	ZINC000000394061	32/18/76/169321876	DLVKRCGYGJZXFK-UHFFFAOYSA-N	0	167.233	AD	1.555	0	Mild	ref	ADEARN	O=C(CS)Nc1ccccc1	 
CCN(CC)C(=O)c1cccc(N)c1	ZINC000000394110	16/34/47/167163447	PECCRTHITMTOJM-UHFFFAOYSA-N	0	192.262	AD	1.751	0	Anodyne	ref	ADAARN	CCN(CC)C(=O)c1cccc(N)c1