CCc1ccc(O)c(O)c1	ZINC000000002501	92/37/24/342923724	HFLGBNBLMBSXEM-UHFFFAOYSA-N	0	138.166	AD	1.66	0	Clean	ref	ADCARN	CCc1ccc(O)c(O)c1	in-man endogenous
O=C(O)c1cccc(Cl)n1	ZINC000000039491	35/88/23/169358823	ZLKMOIHCHCMSFW-UHFFFAOYSA-N	-1	157.556	AD	1.433	0	Anodyne	ref	ADAARM	O=C([O-])c1cccc(Cl)n1	 
NNc1ccc(OC(F)(F)F)cc1	ZINC000000056817	92/50/79/342925079	GWFWCTYACJWQKP-UHFFFAOYSA-N	0	192.14	AD	1.871	0	Anodyne	ref	ADAARN	NNc1ccc(OC(F)(F)F)cc1	 
O=C(O)Cc1ccc2c(c1)OCO2	ZINC000000058276	34/41/60/169344160	ODVLMCWNGKLROU-UHFFFAOYSA-N	-1	180.159	AD	1.042	0	Anodyne	ref	ADAARM	O=C([O-])Cc1ccc2c(c1)OCO2	in-vitro
Nc1cc(Br)ccc1O	ZINC000000078184	28/56/49/169285649	JHRIPENGTGSNPJ-UHFFFAOYSA-N	0	188.024	AD	1.737	0	Anodyne	ref	ADAARN	Nc1cc(Br)ccc1O	 
Cc1ccc(C(N)=O)cc1	ZINC000000080859	92/59/75/342925975	UHBGYFCCKRAEHA-UHFFFAOYSA-N	0	135.166	AD	1.094	0	Anodyne	ref	ADAARN	Cc1ccc(C(N)=O)cc1	 
O=C(O)Cc1ccc(F)cc1	ZINC000000083802	92/58/87/342925887	MGKPFALCNDRSQD-UHFFFAOYSA-N	-1	154.14	AD	1.453	0	Anodyne	ref	ADAARM	O=C([O-])Cc1ccc(F)cc1	 
NNc1ccc(F)cc1	ZINC000000085251	23/80/82/169238082	ZXBMIRYQUFQQNX-UHFFFAOYSA-N	0	126.134	AD	1.111	0	Anodyne	ref	ADAARN	NNc1ccc(F)cc1	 
NNc1ccccc1Br	ZINC000000088591	23/84/98/169238498	ZWMQVBSLMQSMDH-UHFFFAOYSA-N	0	187.04	AD	1.735	0	Anodyne	ref	ADAARN	NNc1ccccc1Br	 
Nc1ccc(C(F)(F)F)cc1N	ZINC000000092915	29/15/94/169291594	RQWJHUJJBYMJMN-UHFFFAOYSA-N	0	176.141	AD	1.87	0	Anodyne	ref	ADAARN	Nc1ccc(C(F)(F)F)cc1N	in-vitro
CCOC(=O)c1cc(C)[nH]c1C	ZINC000000113270	36/98/12/167369812	NOCOMGOGAJYTPH-UHFFFAOYSA-N	0	167.208	AD	1.808	0	Anodyne	ref	ADAARN	CCOC(=O)c1cc(C)[nH]c1C	 
COC(=O)c1cc(C)[nH]c1C	ZINC000000113271	12/68/14/168126814	OQWZEJIISPYZPW-UHFFFAOYSA-N	0	153.181	AD	1.418	0	Anodyne	ref	ADAARN	COC(=O)c1cc(C)[nH]c1C	 
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	 
Cc1cc(C)c(O)c(N)c1	ZINC000000123145	92/73/82/342927382	GISWNAMJAQRJPC-UHFFFAOYSA-N	0	137.182	AD	1.591	0	Anodyne	ref	ADAARN	Cc1cc(C)c(O)c(N)c1	 
CCc1ccc(O)c(N)c1	ZINC000000125075	92/72/98/342927298	LUKYIMOTPSTGQB-UHFFFAOYSA-N	0	137.182	AD	1.537	0	Anodyne	ref	ADAARN	CCc1ccc(O)c(N)c1	 
COc1ccc2[nH]c(C(=O)O)cc2c1	ZINC000000135687	59/51/65/325595165	YEBJVSLNUMZXRJ-UHFFFAOYSA-N	-1	191.186	AD	1.875	0	Anodyne	ref	ADAARM	COc1ccc2[nH]c(C(=O)[O-])cc2c1	in-vitro
NNc1cccc(C(F)(F)F)c1	ZINC000000139547	23/86/24/169238624	RSESUCWJKLHXEZ-UHFFFAOYSA-N	0	176.141	AD	1.991	0	Anodyne	ref	ADAARN	NNc1cccc(C(F)(F)F)c1	 
Cc1cccc(C(=O)O)c1F	ZINC000000142202	92/81/70/342928170	DGNAETGARNTCIL-UHFFFAOYSA-N	-1	154.14	AD	1.832	0	Anodyne	ref	ADAARM	Cc1cccc(C(=O)[O-])c1F	 
Cc1cn2ccccc2n1	ZINC000000151684	89/98/44/168899844	BZACBBRLMWHCNM-UHFFFAOYSA-N	1	132.166	AD	1.643	2	Anodyne	low	ADAALO	Cc1cn2ccccc2[nH+]1	 
Cc1cn2ccccc2n1	ZINC000000151684	89/98/41/168899841	BZACBBRLMWHCNM-UHFFFAOYSA-N	0	132.166	AD	1.643	0	Anodyne	ref	ADAARN	Cc1cn2ccccc2n1	 
Nc1cc(Cl)ccc1C(=O)O	ZINC000000152811	28/64/18/169286418	JYYLQSCZISREGY-UHFFFAOYSA-N	-1	171.583	AD	1.62	0	Anodyne	ref	ADAARM	Nc1cc(Cl)ccc1C(=O)[O-]	 
O=[N+]([O-])c1ccc(F)c(F)c1	ZINC000000152925	27/08/63/351270863	RUBQQRMAWLSCCJ-UHFFFAOYSA-N	0	159.091	AD	1.873	0	Bother	ref	ADBARN	O=[N+]([O-])c1ccc(F)c(F)c1	 
NC(=O)c1c(F)cccc1F	ZINC000000152949	16/44/63/169164463	AVRQBXVUUXHRMY-UHFFFAOYSA-N	0	157.119	AD	1.064	0	Anodyne	ref	ADAARN	NC(=O)c1c(F)cccc1F	 
N#Cc1c(N)cccc1F	ZINC000000153053	92/85/40/342928540	IQUNZGOZUJITBJ-UHFFFAOYSA-N	0	136.129	AD	1.28	0	Mild	ref	ADEARN	N#Cc1c(N)cccc1F	in-vitro
Nc1cccc(F)c1C(=O)O	ZINC000000153055	29/67/14/169296714	RWSFZKWMVWPDGZ-UHFFFAOYSA-N	-1	155.128	AD	1.106	0	Anodyne	ref	ADAARM	Nc1cccc(F)c1C(=O)[O-]	in-vitro
N#Cc1c(N)cccc1Cl	ZINC000000153097	92/85/82/342928582	MEJVTQKBWPYBFG-UHFFFAOYSA-N	0	152.584	AD	1.794	0	Mild	ref	ADEARN	N#Cc1c(N)cccc1Cl	 
Cc1ccc(F)cc1NN	ZINC000000153119	92/86/39/342928639	IFKJTZLQRLTAIX-UHFFFAOYSA-N	0	140.161	AD	1.42	0	Anodyne	ref	ADAARN	Cc1ccc(F)cc1NN	 
CC(=O)N[C@H](C)c1ccccc1	ZINC000000153175	28/23/28/166282328	PAVMRYVMZLANOQ-MRVPVSSYSA-N	0	163.22	AD	1.884	0	Anodyne	ref	ADAARN	CC(=O)N[C@H](C)c1ccccc1	in-vitro
Oc1n[nH]c2ccccc12	ZINC000000153260	46/03/69/169460369	SWEICGMKXPNXNU-UHFFFAOYSA-N	0	134.138	AD	1.268	0	Anodyne	ref	ADAARN	O=c1[nH][nH]c2ccccc12	in-vivo
Cc1cc(N)c(N)cc1C	ZINC000000153351	92/85/19/342928519	XSZYBMMYQCYIPC-UHFFFAOYSA-N	0	136.198	AD	1.468	0	Anodyne	ref	ADAARN	Cc1cc(N)c(N)cc1C	in-vivo
O=C(O)c1ccc([N+](=O)[O-])cc1F	ZINC000000153358	35/83/28/169358328	MMWFMFZFCKADEL-UHFFFAOYSA-N	-1	185.11	AD	1.432	0	Bother	ref	ADBARM	O=C([O-])c1ccc([N+](=O)[O-])cc1F	 
N#Cc1cc(F)cc(C#N)c1	ZINC000000153468	11/68/26/169116826	IJOYGTWYIUJJRU-UHFFFAOYSA-N	0	146.124	AD	1.569	0	Mild	ref	ADEARN	N#Cc1cc(F)cc(C#N)c1	 
Cc1ccc(N)cc1C#N	ZINC000000153676	92/85/55/342928555	YDZVQWCVKXYGIU-UHFFFAOYSA-N	0	132.166	AD	1.449	0	Mild	ref	ADEARN	Cc1ccc(N)cc1C#N	 
COC(=O)c1c(O)cccc1F	ZINC000000154003	12/64/68/168126468	ZSIIFQFGYNHHOP-UHFFFAOYSA-N	-1	170.139	AD	1.318	3	Anodyne	high	ADAAHM	COC(=O)c1c([O-])cccc1F	 
COC(=O)c1c(O)cccc1F	ZINC000000154003	12/64/64/168126464	ZSIIFQFGYNHHOP-UHFFFAOYSA-N	0	170.139	AD	1.318	0	Anodyne	ref	ADAARN	COC(=O)c1c(O)cccc1F	 
CS(=O)(=O)c1ccc(F)c(F)c1	ZINC000000154124	29/55/58/168295558	WMBJGJXMKCOHGG-UHFFFAOYSA-N	0	192.186	AD	1.368	0	Anodyne	ref	ADAARN	CS(=O)(=O)c1ccc(F)c(F)c1	 
O=C(O)c1ccc(C(F)(F)F)nc1	ZINC000000154400	35/78/56/169357856	JNYLMODTPLSLIF-UHFFFAOYSA-N	-1	191.108	AD	1.799	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(C(F)(F)F)nc1	in-vitro
N#Cc1ccc(C(F)(F)F)nc1	ZINC000000154407	12/04/10/169120410	ZBLULFJVRGVQAW-UHFFFAOYSA-N	0	172.109	AD	1.972	0	Mild	ref	ADEARN	N#Cc1ccc(C(F)(F)F)nc1	 
Nc1ccc(C(F)(F)F)nc1	ZINC000000154421	29/11/85/169291185	IBOZOWZSXZNIHI-UHFFFAOYSA-N	0	162.114	AD	1.683	0	Anodyne	ref	ADAARN	Nc1ccc(C(F)(F)F)nc1	 
Nc1cc(F)c(F)cc1C(=O)O	ZINC000000154761	28/64/75/169286475	DGOZIZVTANAGCA-UHFFFAOYSA-N	-1	173.118	AD	1.245	0	Anodyne	ref	ADAARM	Nc1cc(F)c(F)cc1C(=O)[O-]	 
COc1cc(N)c(C(C)=O)cc1OC	ZINC000000154783	23/59/96/168235996	KGKWXEGYKGTMAK-UHFFFAOYSA-N	0	195.218	AD	1.489	0	Anodyne	ref	ADAARN	COc1cc(N)c(C(C)=O)cc1OC	 
COc1cc(N)c(C#N)cc1OC	ZINC000000154785	23/58/02/168235802	BJAYMNUBIULRMF-UHFFFAOYSA-N	0	178.191	AD	1.158	0	Mild	ref	ADEARN	COc1cc(N)c(C#N)cc1OC	 
Cc1cc(C)c(N)c(C(=O)O)c1	ZINC000000154792	92/90/59/342929059	GIMYRAQQQBFFFJ-UHFFFAOYSA-N	-1	165.192	AD	1.584	0	Anodyne	ref	ADAARM	Cc1cc(C)c(N)c(C(=O)[O-])c1	in-vitro
Nc1nccc2ccccc12	ZINC000000154817	30/89/95/169308995	OSILBMSORKFRTB-UHFFFAOYSA-N	1	144.177	AD	1.817	1	Anodyne	mid	ADAAMO	Nc1[nH+]ccc2ccccc12	in-vitro
Nc1nccc2ccccc12	ZINC000000154817	30/89/93/169308993	OSILBMSORKFRTB-UHFFFAOYSA-N	0	144.177	AD	1.817	0	Anodyne	ref	ADAARN	Nc1nccc2ccccc12	in-vitro
Nc1cccc2cnccc12	ZINC000000154819	29/75/08/169297508	DTVYNUOOZIKEEX-UHFFFAOYSA-N	0	144.177	AD	1.817	0	Anodyne	ref	ADAARN	Nc1cccc2cnccc12	in-vivo
COc1c(O)ccc(C=O)c1[N+](=O)[O-]	ZINC000000155075	22/76/88/168227688	PHCNQUJHXJQLQR-UHFFFAOYSA-N	0	197.146	AD	1.121	2	Bother	low	ADBALN	COc1c(O)ccc(C=O)c1[N+](=O)[O-]	 
COc1c(O)ccc(C=O)c1[N+](=O)[O-]	ZINC000000155075	22/76/86/168227686	PHCNQUJHXJQLQR-UHFFFAOYSA-N	-1	197.146	AD	1.121	0	Bother	ref	ADBARM	COc1c([O-])ccc(C=O)c1[N+](=O)[O-]	 
O=C1C=C(Cl)C(=O)C(Cl)=C1	ZINC000000155115	92/89/56/342928956	JCARTGJGWCGSSU-UHFFFAOYSA-N	0	176.986	AD	1.384	0	Mild	ref	ADEARN	O=C1C=C(Cl)C(=O)C(Cl)=C1	 
COc1cccc(C#N)c1OC	ZINC000000155228	26/77/90/168267790	LBXGBNHUNHWYRM-UHFFFAOYSA-N	0	163.176	AD	1.575	0	Mild	ref	ADEARN	COc1cccc(C#N)c1OC	 
N#Cc1c(F)ccc(F)c1F	ZINC000000155264	92/90/43/342929043	YWTXHALVWAISPR-UHFFFAOYSA-N	0	157.094	AD	1.976	0	Mild	ref	ADEARN	N#Cc1c(F)ccc(F)c1F	 
O=C(O)C1(c2ccccc2)CC1	ZINC000000155890	92/89/38/342928938	IWWCCNVRNHTGLV-UHFFFAOYSA-N	-1	162.188	AD	1.803	0	Anodyne	ref	ADAARM	O=C([O-])C1(c2ccccc2)CC1	 
O=C(O)CCC(=O)c1ccccc1	ZINC000000155985	99/21/31/170992131	KMQLIDDEQAJAGJ-UHFFFAOYSA-N	-1	178.187	AD	1.734	0	Anodyne	ref	ADAARM	O=C([O-])CCC(=O)c1ccccc1	in-vitro
O=C(O)Cc1ccc(O)c(F)c1	ZINC000000156097	92/90/03/342929003	YRFBZAHYMOSSGX-UHFFFAOYSA-N	-2	170.139	AD	1.158	3	Anodyne	high	ADAAHL	O=C([O-])Cc1ccc([O-])c(F)c1	 
O=C(O)Cc1ccc(O)c(F)c1	ZINC000000156097	92/90/02/342929002	YRFBZAHYMOSSGX-UHFFFAOYSA-N	-1	170.139	AD	1.158	0	Anodyne	ref	ADAARM	O=C([O-])Cc1ccc(O)c(F)c1	 
O=C(O)c1cccc(F)c1C(=O)O	ZINC000000156106	35/86/93/169358693	BBCQSMSCEJBIRD-UHFFFAOYSA-N	-2	184.122	AD	1.222	0	Anodyne	ref	ADAARL	O=C([O-])c1cccc(F)c1C(=O)[O-]	 
O=C(O)c1ccc(F)c(F)c1F	ZINC000000156270	35/78/84/169357884	WEPXLRANFJEOFZ-UHFFFAOYSA-N	-1	176.093	AD	1.802	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(F)c(F)c1F	 
CC(=O)Cc1ccc(F)cc1	ZINC000000156292	24/85/19/166248519	ZUEKIIWSVFBTCM-UHFFFAOYSA-N	0	152.168	AD	1.957	0	Anodyne	ref	ADAARN	CC(=O)Cc1ccc(F)cc1	in-vitro
N#Cc1c(F)ccc([N+](=O)[O-])c1F	ZINC000000156607	92/93/03/342929303	JQHDRFKDZHGEBQ-UHFFFAOYSA-N	0	184.101	AD	1.745	0	Mild	ref	ADEARN	N#Cc1c(F)ccc([N+](=O)[O-])c1F	 
Nc1ccc(C(=O)O)c(Cl)c1	ZINC000000156642	29/15/92/169291592	MBDUKNCPOPMRJQ-UHFFFAOYSA-N	-1	171.583	AD	1.62	0	Anodyne	ref	ADAARM	Nc1ccc(C(=O)[O-])c(Cl)c1	in-vitro
O=C(O)Cc1cccc([N+](=O)[O-])c1	ZINC000000156946	34/38/13/169343813	WUKHOVCMWXMOOA-UHFFFAOYSA-N	-1	181.147	AD	1.222	0	Bother	ref	ADBARM	O=C([O-])Cc1cccc([N+](=O)[O-])c1	in-vivo
N#Cc1cc(F)cc(F)c1	ZINC000000156994	11/68/46/169116846	CQXZSEXZQVKCHW-UHFFFAOYSA-N	0	139.104	AD	1.836	0	Mild	ref	ADEARN	N#Cc1cc(F)cc(F)c1	 
N#Cc1ccc(F)c(F)c1	ZINC000000156995	12/08/93/169120893	BTBFCBQZFMQBNT-UHFFFAOYSA-N	0	139.104	AD	1.836	0	Mild	ref	ADEARN	N#Cc1ccc(F)c(F)c1	 
NCc1ccc(Cl)cc1F	ZINC000000157012	22/17/19/169221719	ODMMHGMIZYLHNN-UHFFFAOYSA-N	0	159.591	AD	1.938	3	Anodyne	high	ADAAHN	NCc1ccc(Cl)cc1F	 
NCc1ccc(Cl)cc1F	ZINC000000157012	22/17/17/169221717	ODMMHGMIZYLHNN-UHFFFAOYSA-N	1	159.591	AD	1.938	0	Anodyne	ref	ADAARO	[NH3+]Cc1ccc(Cl)cc1F	 
O=Cc1ccc(F)cc1	ZINC000000157154	27/16/01/351271601	UOQXIWFBQSVDPP-UHFFFAOYSA-N	0	124.114	AD	1.638	0	Anodyne	ref	ADAARN	O=Cc1ccc(F)cc1	in-vitro
O=C(O)c1cccc(F)c1	ZINC000000157326	35/86/02/169358602	MXNBDFWNYRNIBH-UHFFFAOYSA-N	-1	140.113	AD	1.524	0	Anodyne	ref	ADAARM	O=C([O-])c1cccc(F)c1	in-vitro
OCc1ccc(F)cc1	ZINC000000157464	27/16/04/351271604	GEZMEIHVFSWOCA-UHFFFAOYSA-N	0	126.13	AD	1.318	0	Anodyne	ref	ADAARN	OCc1ccc(F)cc1	 
COC(=O)c1ccc(N)cc1	ZINC000000157537	13/20/88/168132088	LZXXNPOYQCLXRS-UHFFFAOYSA-N	0	151.165	AD	1.055	0	Anodyne	ref	ADAARN	COC(=O)c1ccc(N)cc1	 
COc1ccc(C)c(N)c1	ZINC000000157567	24/56/04/168245604	RPJXLEZOFUNGNZ-UHFFFAOYSA-N	0	137.182	AD	1.586	0	Anodyne	ref	ADAARN	COc1ccc(C)c(N)c1	 
Nc1ccc(F)cc1F	ZINC000000157573	99/21/46/170992146	CEPCPXLLFXPZGW-UHFFFAOYSA-N	0	129.109	AD	1.547	0	Anodyne	ref	ADAARN	Nc1ccc(F)cc1F	 
COc1cc(N)cc(OC)c1OC	ZINC000000157583	23/70/26/168237026	XEFRNCLPPFDWAC-UHFFFAOYSA-N	0	183.207	AD	1.295	0	Anodyne	ref	ADAARN	COc1cc(N)cc(OC)c1OC	in-vitro
Nc1cccc(F)c1	ZINC000000157619	29/64/48/169296448	QZVQQUVWFIZUBQ-UHFFFAOYSA-N	0	111.119	AD	1.408	0	Anodyne	ref	ADAARN	Nc1cccc(F)c1	in-vitro
CC(=O)c1ccc(N)cc1O	ZINC000000157818	32/42/92/166324292	QQZFVONVJPXCSQ-UHFFFAOYSA-N	0	151.165	AD	1.177	0	Anodyne	ref	ADAARN	CC(=O)c1ccc(N)cc1O	 
O=C(O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000000158134	35/61/64/169356164	GHYZIXDKAPMFCS-UHFFFAOYSA-N	-1	185.11	AD	1.432	0	Bother	ref	ADBARM	O=C([O-])c1cc(F)ccc1[N+](=O)[O-]	 
Nc1ccc(Br)cc1N	ZINC000000158488	29/00/55/169290055	WIHHVKUARKTSBU-UHFFFAOYSA-N	0	187.04	AD	1.613	0	Anodyne	ref	ADAARN	Nc1ccc(Br)cc1N	 
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
Nc1c(F)cccc1F	ZINC000000159273	28/24/69/169282469	ODUZJBKKYBQIBX-UHFFFAOYSA-N	0	129.109	AD	1.547	0	Anodyne	ref	ADAARN	Nc1c(F)cccc1F	in-vitro
N#Cc1ccc(F)cc1F	ZINC000000159425	12/23/00/169122300	LJFDXXUKKMEQKE-UHFFFAOYSA-N	0	139.104	AD	1.836	0	Mild	ref	ADEARN	N#Cc1ccc(F)cc1F	 
NNc1ccc(C(F)(F)F)cc1	ZINC000000159631	23/77/61/169237761	DBNLGTYGKCMLLR-UHFFFAOYSA-N	0	176.141	AD	1.991	0	Anodyne	ref	ADAARN	NNc1ccc(C(F)(F)F)cc1	 
O=C(O)c1ccc(F)cc1	ZINC000000159828	35/72/64/169357264	BBYDXOIZLAWGSL-UHFFFAOYSA-N	-1	140.113	AD	1.524	0	Anodyne	ref	ADAARM	O=C([O-])c1ccc(F)cc1	in-vitro
O=C(O)c1cc(F)ccc1O	ZINC000000160339	35/68/38/169356838	JWPRICQKUNODPZ-UHFFFAOYSA-N	-1	156.112	AD	1.229	0	Anodyne	ref	ADAARM	O=C([O-])c1cc(F)ccc1O	 
Cc1nc(Cl)c(N)c(Cl)n1	ZINC000000160467	93/01/96/342930196	FKRXXAMAHOGYNT-UHFFFAOYSA-N	0	178.022	AD	1.674	0	Anodyne	ref	ADAARN	Cc1nc(Cl)c(N)c(Cl)n1	 
OCCc1ccc(Cl)cc1	ZINC000000160799	43/09/62/169430962	HZFRKZWBVUJYDA-UHFFFAOYSA-N	0	156.612	AD	1.875	0	Anodyne	ref	ADAARN	OCCc1ccc(Cl)cc1	 
N#Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000000161232	12/18/87/169121887	MNEAKKQYFSYZEU-UHFFFAOYSA-N	0	166.111	AD	1.606	0	Mild	ref	ADEARN	N#Cc1ccc(F)cc1[N+](=O)[O-]	 
COc1ccc2c(c1OC)C(=O)OC2	ZINC000000161294	26/54/88/168265488	ORFFGRQMMWVHIB-UHFFFAOYSA-N	0	194.186	AD	1.374	0	Anodyne	ref	ADAARN	COc1ccc2c(c1OC)C(=O)OC2	in-man endogenous
O=C1OCc2ccc([N+](=O)[O-])cc21	ZINC000000161476	39/22/05/169392205	RNWGZXAHUPFXLL-UHFFFAOYSA-N	0	179.131	AD	1.265	0	Bother	ref	ADBARN	O=C1OCc2ccc([N+](=O)[O-])cc21	 
NCc1ccccc1F	ZINC000000161604	22/42/57/169224257	LRFWYBZWRQWZIM-UHFFFAOYSA-N	0	125.146	AD	1.284	3	Anodyne	high	ADAAHN	NCc1ccccc1F	 
NCc1ccccc1F	ZINC000000161604	22/42/55/169224255	LRFWYBZWRQWZIM-UHFFFAOYSA-N	1	125.146	AD	1.284	0	Anodyne	ref	ADAARO	[NH3+]Cc1ccccc1F	 
N#Cc1ccc(O)cc1F	ZINC000000161696	12/29/26/169122926	REIVHYDACHXPNH-UHFFFAOYSA-N	0	137.113	AD	1.403	1	Mild	mid	ADEAMN	N#Cc1ccc(O)cc1F	in-vitro
N#Cc1ccc(O)cc1F	ZINC000000161696	12/29/23/169122923	REIVHYDACHXPNH-UHFFFAOYSA-N	-1	137.113	AD	1.403	0	Mild	ref	ADEARM	N#Cc1ccc([O-])cc1F	in-vitro
COc1cc(C#N)cc(OC)c1	ZINC000000161718	22/81/14/168228114	NVTHWSJNXVDIKR-UHFFFAOYSA-N	0	163.176	AD	1.575	0	Mild	ref	ADEARN	COc1cc(C#N)cc(OC)c1	 
CC(=O)c1ccc(Cl)nc1	ZINC000000161835	32/52/73/166325273	UXSNZYGTQTXRAD-UHFFFAOYSA-N	0	155.584	AD	1.938	0	Anodyne	ref	ADAARN	CC(=O)c1ccc(Cl)nc1	 
COc1ccc([N+](=O)[O-])cc1N	ZINC000000162403	26/06/07/168260607	NIPDVSLAMPAWTP-UHFFFAOYSA-N	0	168.152	AD	1.186	0	Bother	ref	ADBARN	COc1ccc([N+](=O)[O-])cc1N	in-vitro
COc1cc(C(C)=O)ccc1O	ZINC000000162515	22/96/63/168229663	DFYRUELUNQRZTB-UHFFFAOYSA-N	-1	166.176	AD	1.603	3	Anodyne	high	ADAAHM	COc1cc(C(C)=O)ccc1[O-]	investigational metabolite
COc1cc(C(C)=O)ccc1O	ZINC000000162515	22/96/59/168229659	DFYRUELUNQRZTB-UHFFFAOYSA-N	0	166.176	AD	1.603	0	Anodyne	ref	ADAARN	COc1cc(C(C)=O)ccc1O	investigational metabolite
NNc1ccccc1C(F)(F)F	ZINC000000162984	23/90/83/169239083	JSWQDLBFVSTSIW-UHFFFAOYSA-N	0	176.141	AD	1.991	0	Anodyne	ref	ADAARN	NNc1ccccc1C(F)(F)F	 
CC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000000163314	32/27/49/166322749	BCXOSCQTHVTUET-UHFFFAOYSA-N	0	183.138	AD	1.937	0	Bother	ref	ADBARN	CC(=O)c1cc([N+](=O)[O-])ccc1F	 
CCOc1cccc(C=O)c1	ZINC000000163359	27/24/56/351272456	QZMGMXBYJZVAJN-UHFFFAOYSA-N	0	150.177	AD	1.898	0	Anodyne	ref	ADAARN	CCOc1cccc(C=O)c1	 
COc1ccc([N+](=O)[O-])c(C(=O)O)c1	ZINC000000163370	26/08/48/168260848	URADKXVAIGMTEG-UHFFFAOYSA-N	-1	197.146	AD	1.302	0	Bother	ref	ADBARM	COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	in-vitro