CC(=O)c1ccc(Cl)s1	ZINC000000035873	32/55/01/166325501	HTZGPEHWQCRXGZ-UHFFFAOYSA-N	0	160.625	AF	2.604	0	Anodyne	ref	AFAARN	CC(=O)c1ccc(Cl)s1	 
Cc1ccc(-c2csc(N)n2)cc1	ZINC000000038083	92/44/29/342924429	ARLHWYFAPHJCJT-UHFFFAOYSA-N	0	190.271	AF	2.701	0	Anodyne	ref	AFAARN	Cc1ccc(-c2csc(N)n2)cc1	 
Cc1cc(C)c(C)c(C(=O)O)c1C	ZINC000000042485	92/50/10/342925010	STIDRZRESMTQBD-UHFFFAOYSA-N	-1	178.231	AF	2.618	0	Anodyne	ref	AFAARM	Cc1cc(C)c(C)c(C(=O)[O-])c1C	 
ON=C1c2ccccc2-c2ccccc21	ZINC000000049755	26/78/57/351267857	CRNNFEKVPRFZKJ-UHFFFAOYSA-N	-1	195.221	AF	2.894	3	Mild	high	AFEAHM	[O-]N=C1c2ccccc2-c2ccccc21	 
ON=C1c2ccccc2-c2ccccc21	ZINC000000049755	26/78/51/351267851	CRNNFEKVPRFZKJ-UHFFFAOYSA-N	-1	195.221	AF	2.894	0	Mild	ref	AFEARM	ON=C1c2ccccc2-c2ccccc21	 
c1cnc2ccc3ncccc3c2c1	ZINC000000065182	92/55/96/342925596	DATYUTWESAKQQM-UHFFFAOYSA-N	0	180.21	AF	2.783	0	Bother	ref	AFBARN	c1cnc2ccc3ncccc3c2c1	in-vitro
CC(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000000076035	99/16/53/170991653	RMUYDDKCUZHVHY-UHFFFAOYSA-N	0	191.274	AF	2.943	0	Anodyne	ref	AFAARN	CC(=O)Nc1ccc(C(C)(C)C)cc1	 
CC(=O)Nc1cccc(C(C)(C)C)c1	ZINC000000076111	99/17/51/170991751	RLXHLYLAHSJMNB-UHFFFAOYSA-N	0	191.274	AF	2.943	0	Anodyne	ref	AFAARN	CC(=O)Nc1cccc(C(C)(C)C)c1	 
O=C(O)c1cccc2ccccc12	ZINC000000084134	21/48/64/171214864	LNETULKMXZVUST-UHFFFAOYSA-N	-1	172.183	AF	2.538	0	Anodyne	ref	AFAARM	O=C([O-])c1cccc2ccccc12	in-vitro
Cc1ccc2[nH]c3c(c2c1)CCCC3=O	ZINC000000085497	92/63/12/342926312	ITWUGZSJDMBOPH-UHFFFAOYSA-N	0	199.253	AF	2.995	0	Anodyne	ref	AFAARN	Cc1ccc2[nH]c3c(c2c1)CCCC3=O	in-vitro biogenic
CC(=O)c1cc2ccccc2o1	ZINC000000102698	32/25/75/166322575	YUTFQTAITWWGFH-UHFFFAOYSA-N	0	160.172	AF	2.635	0	Anodyne	ref	AFAARN	CC(=O)c1cc2ccccc2o1	in-vitro
Cc1cc(=S)cc(C)o1	ZINC000000117546	92/73/32/342927332	RZGQBLWMLLDDKL-UHFFFAOYSA-N	0	140.207	AF	2.626	0	Anodyne	ref	AFAARN	Cc1cc(=S)cc(C)o1	 
Clc1nc2ccccc2nc1Cl	ZINC000000119521	92/74/10/342927410	SPSSDDOTEZKOOV-UHFFFAOYSA-N	0	199.04	AF	2.937	0	Anodyne	ref	AFAARN	Clc1nc2ccccc2nc1Cl	in-vitro
CCSc1nc2ccccc2[nH]1	ZINC000000122664	27/10/15/351271015	UGCOPUIBNABIEP-UHFFFAOYSA-N	0	178.26	AF	2.675	0	Anodyne	ref	AFAARN	CCSc1nc2ccccc2[nH]1	 
Nc1nc(-c2ccc(F)cc2)cs1	ZINC000000126157	30/42/57/169304257	WSOKJBHBMAGBIP-UHFFFAOYSA-N	0	194.234	AF	2.531	0	Anodyne	ref	AFAARN	Nc1nc(-c2ccc(F)cc2)cs1	 
CC(C)(C)c1nc2ccccc2[nH]1	ZINC000000144226	38/99/40/166389940	ZQWHWRQRGKZTSE-UHFFFAOYSA-N	1	174.247	AF	2.86	2	Anodyne	low	AFAALO	CC(C)(C)c1[nH]c2ccccc2[nH+]1	 
CC(C)(C)c1nc2ccccc2[nH]1	ZINC000000144226	38/99/33/166389933	ZQWHWRQRGKZTSE-UHFFFAOYSA-N	0	174.247	AF	2.86	0	Anodyne	ref	AFAARN	CC(C)(C)c1nc2ccccc2[nH]1	 
Cc1ccc2cc(F)ccc2n1	ZINC000000150342	85/41/16/168854116	GPIARMSVZOEZCV-UHFFFAOYSA-N	0	161.179	AF	2.682	0	Anodyne	ref	AFAARN	Cc1ccc2cc(F)ccc2n1	in-vitro
CC(C)c1ccc(C(=O)O)cc1	ZINC000000151915	92/81/10/342928110	CKMXAIVXVKGGFM-UHFFFAOYSA-N	-1	164.204	AF	2.508	0	Anodyne	ref	AFAARM	CC(C)c1ccc(C(=O)[O-])cc1	in-man endogenous
O=C(O)c1cc(Cl)cc(Cl)c1	ZINC000000152667	35/63/37/169356337	CXKCZFDUOYMOOP-UHFFFAOYSA-N	-1	191.013	AF	2.692	0	Anodyne	ref	AFAARM	O=C([O-])c1cc(Cl)cc(Cl)c1	 
O=Cc1c(Cl)[nH]c2ccccc12	ZINC000000153467	27/06/88/351270688	XYSSNBNFOBVMAU-UHFFFAOYSA-N	0	179.606	AF	2.634	0	Anodyne	ref	AFAARN	O=Cc1c(Cl)[nH]c2ccccc12	 
O=C(O)/C=C/c1ccc2ccccc2c1	ZINC000000153595	33/41/80/169334180	KWGPBDBAAXYWOJ-SOFGYWHQSA-N	-1	198.221	AF	2.938	0	Anodyne	ref	AFAARM	O=C([O-])/C=C/c1ccc2ccccc2c1	 
CSc1ccc(/C=C/C(=O)O)cc1	ZINC000000153706	30/95/64/168309564	AHBHKZCSIUIANZ-QPJJXVBHSA-N	-1	194.255	AF	2.506	0	Anodyne	ref	AFAARM	CSc1ccc(/C=C/C(=O)[O-])cc1	 
O=C(c1ccccc1)c1cccc(O)c1	ZINC000000155218	36/42/11/169364211	SHULEACXTONYPS-UHFFFAOYSA-N	-1	198.221	AF	2.623	3	Anodyne	high	AFAAHM	O=C(c1ccccc1)c1cccc([O-])c1	 
O=C(c1ccccc1)c1cccc(O)c1	ZINC000000155218	36/42/10/169364210	SHULEACXTONYPS-UHFFFAOYSA-N	0	198.221	AF	2.623	0	Anodyne	ref	AFAARN	O=C(c1ccccc1)c1cccc(O)c1	 
COc1ccc2cc(C#N)ccc2c1	ZINC000000155227	26/43/54/168264354	SWEFYGCKCMJSPD-UHFFFAOYSA-N	0	183.21	AF	2.72	0	Mild	ref	AFEARN	COc1ccc2cc(C#N)ccc2c1	 
Nc1ccccc1-c1ccccc1N	ZINC000000157657	29/86/11/169298611	HOLGXWDGCVTMTB-UHFFFAOYSA-N	0	184.242	AF	2.518	0	Anodyne	ref	AFAARN	Nc1ccccc1-c1ccccc1N	 
CCC(=O)c1ccc(O)c(Cl)c1	ZINC000000158047	92/92/76/342929276	SRTOCDALRUBACC-UHFFFAOYSA-N	0	184.622	AF	2.638	2	Anodyne	low	AFAALN	CCC(=O)c1ccc(O)c(Cl)c1	 
CCC(=O)c1ccc(O)c(Cl)c1	ZINC000000158047	92/92/75/342929275	SRTOCDALRUBACC-UHFFFAOYSA-N	-1	184.622	AF	2.638	0	Anodyne	ref	AFAARM	CCC(=O)c1ccc([O-])c(Cl)c1	 
N#Cc1cccc(Cl)c1Cl	ZINC000000159430	12/48/06/169124806	OHDYZVVLNPXKDX-UHFFFAOYSA-N	0	172.014	AF	2.865	0	Mild	ref	AFEARN	N#Cc1cccc(Cl)c1Cl	 
CCC(=O)c1c[nH]c2ccccc12	ZINC000000163179	93/05/38/342930538	KMVYYLYKRGELJE-UHFFFAOYSA-N	0	173.215	AF	2.761	0	Anodyne	ref	AFAARN	CCC(=O)c1c[nH]c2ccccc12	 
O=Cc1cc(Cl)c(O)c(Cl)c1	ZINC000000163307	27/26/40/351272640	LIYGCLJYTHRBQV-UHFFFAOYSA-N	-1	191.013	AF	2.512	0	Anodyne	ref	AFAARM	O=Cc1cc(Cl)c([O-])c(Cl)c1	 
c1cnc2c(c1)ccc1cccnc12	ZINC000000164363	93/05/69/342930569	DGEZNRSVGBDHLK-UHFFFAOYSA-N	0	180.21	AF	2.783	0	Bother	ref	AFBARN	c1cnc2c(c1)ccc1cccnc12	metabolite in-vivo
c1cc2sccc2s1	ZINC000000165492	27/37/34/351273734	VJYJJHQEVLEOFL-UHFFFAOYSA-N	0	140.232	AF	2.963	0	Anodyne	ref	AFAARN	c1cc2sccc2s1	in-vitro
Cc1sc2nc(N)sc2c1C	ZINC000000212994	01/45/16/169014516	UQSOXAFRERJBQF-UHFFFAOYSA-N	0	184.289	AF	2.557	0	Anodyne	ref	AFAARN	Cc1sc2nc(N)sc2c1C	 
N#Cc1ccc(N2CCCCC2)cc1	ZINC000000243635	17/83/03/132178303	ZEPXHFFGXQFUDP-UHFFFAOYSA-N	0	186.258	AF	2.549	0	Mild	ref	AFEARN	N#Cc1ccc(N2CCCCC2)cc1	 
Clc1ccc2ccccc2n1	ZINC000000262512	02/39/06/169023906	OFUFXTHGZWIDDB-UHFFFAOYSA-N	0	163.607	AF	2.888	0	Anodyne	ref	AFAARN	Clc1ccc2ccccc2n1	 
Cc1ccc(C=O)cc1Br	ZINC000000330111	93/32/25/342933225	WTXXUAHMTVAQHW-UHFFFAOYSA-N	0	199.047	AF	2.57	0	Anodyne	ref	AFAARN	Cc1ccc(C=O)cc1Br	 
CSc1ccc(C(C)=O)cc1	ZINC000000330143	31/11/22/168311122	JECUZQLBQKNEMW-UHFFFAOYSA-N	0	166.245	AF	2.611	0	Anodyne	ref	AFAARN	CSc1ccc(C(C)=O)cc1	 
COc1ccc(C(=S)SC)cc1	ZINC000000330222	24/57/87/168245787	FPQSDIPVCHRBLP-UHFFFAOYSA-N	0	198.312	AF	2.734	0	Anodyne	ref	AFAARN	COc1ccc(C(=S)SC)cc1	 
Cc1ccc2cc(C(=O)O)ccc2c1	ZINC000000330260	93/32/45/342933245	VOCNMTIGMYPFPY-UHFFFAOYSA-N	-1	186.21	AF	2.846	0	Anodyne	ref	AFAARM	Cc1ccc2cc(C(=O)[O-])ccc2c1	 
CCOc1cc(Cl)c(Cl)cn1	ZINC000000330996	27/52/43/351275243	PXESMQQYWMLJHB-UHFFFAOYSA-N	0	192.045	AF	2.787	0	Anodyne	ref	AFAARN	CCOc1cc(Cl)c(Cl)cn1	 
CCOc1ccnc(Cl)c1Cl	ZINC000000330997	27/54/02/351275402	XUMOFJMZJPYACB-UHFFFAOYSA-N	0	192.045	AF	2.787	0	Anodyne	ref	AFAARN	CCOc1ccnc(Cl)c1Cl	 
Clc1cnn(-c2ccccc2)c1	ZINC000000331162	02/66/28/169026628	OAWHISBYSDFHHU-UHFFFAOYSA-N	0	178.622	AF	2.526	0	Anodyne	ref	AFAARN	Clc1cnn(-c2ccccc2)c1	 
CC(=O)Nc1cc(Cl)ccc1C	ZINC000000331181	99/35/72/170993572	AQHVWJACZZWZPW-UHFFFAOYSA-N	0	183.638	AF	2.607	0	Anodyne	ref	AFAARN	CC(=O)Nc1cc(Cl)ccc1C	 
Clc1cc(-c2ccccc2)ncn1	ZINC000000331216	02/23/62/169022362	RHTJKTOWBBKGNJ-UHFFFAOYSA-N	0	190.633	AF	2.797	0	Anodyne	ref	AFAARN	Clc1cc(-c2ccccc2)ncn1	 
C/C(=N\O)c1ccc(C)cc1C	ZINC000000331276	05/46/24/166054624	RSSGOWVBFSISJN-PKNBQFBNSA-N	0	163.22	AF	2.502	0	Mild	ref	AFEARN	C/C(=N\O)c1ccc(C)cc1C	 
Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000000331675	84/50/55/168845055	LLYXJBROWQDVMI-UHFFFAOYSA-N	0	171.583	AF	2.557	0	Bother	ref	AFBARN	Cc1ccc([N+](=O)[O-])cc1Cl	in-vitro
Cc1nc2ccccc2nc1Cl	ZINC000000331724	93/36/61/342933661	PXDLUYLWPJMGJA-UHFFFAOYSA-N	0	178.622	AF	2.592	0	Anodyne	ref	AFAARN	Cc1nc2ccccc2nc1Cl	 
c1cnc2c(c1)ccc1ncccc12	ZINC000000331745	93/35/42/342933542	OZKOMUDCMCEDTM-UHFFFAOYSA-N	0	180.21	AF	2.783	0	Bother	ref	AFBARN	c1cnc2c(c1)ccc1ncccc12	in-vitro
CC(C)n1cccc(C=O)c1=S	ZINC000000332213	93/36/75/342933675	LNYFKUYQBQFYKS-UHFFFAOYSA-N	0	181.26	AF	2.611	0	Anodyne	ref	AFAARN	CC(C)n1cccc(C=O)c1=S	 
CC(C)(C)c1ccccc1NC=O	ZINC000000332326	38/72/51/166387251	BVCVZGWVTJXGEQ-UHFFFAOYSA-N	0	177.247	AF	2.552	0	Anodyne	ref	AFAARN	CC(C)(C)c1ccccc1NC=O	 
COc1ccccc1-c1ccccc1N	ZINC000000333788	27/65/70/168276570	ZSGCLJMSDWOQAM-UHFFFAOYSA-N	0	199.253	AF	2.944	0	Anodyne	ref	AFAARN	COc1ccccc1-c1ccccc1N	 
O=[N+]([O-])/C=C/c1ccc(Cl)s1	ZINC000000334106	19/67/15/171196715	IEFOBMWMGIWTAW-ONEGZZNKSA-N	0	189.623	AF	2.649	0	Anodyne	ref	AFAARN	O=[N+]([O-])/C=C/c1ccc(Cl)s1	 
CC(C)(O)Cc1ccc(Cl)s1	ZINC000000334306	27/54/86/351275486	UHDFIMZUODPLSL-UHFFFAOYSA-N	0	190.695	AF	2.715	0	Anodyne	ref	AFAARN	CC(C)(O)Cc1ccc(Cl)s1	 
c1cncc(-c2cccs2)c1	ZINC000000334312	48/35/41/169483541	ZHBLIWDUZHFSJW-UHFFFAOYSA-N	0	161.229	AF	2.81	0	Anodyne	ref	AFAARN	c1cncc(-c2cccs2)c1	 
c1cnc2c(c1)ncc1sccc12	ZINC000000334462	93/39/89/342933989	SGRUVITUAIIYGK-UHFFFAOYSA-N	0	186.239	AF	2.845	0	Anodyne	ref	AFAARN	c1cnc2c(c1)ncc1sccc12	 
CCc1nc(SC)c(C#N)cc1C	ZINC000000335571	93/40/92/342934092	PWWYHHOAFUZTAM-UHFFFAOYSA-N	0	192.287	AF	2.546	0	Mild	ref	AFEARN	CCc1nc(SC)c(C#N)cc1C	 
COc1csc2nc(C)cc(C)c12	ZINC000000335578	28/29/05/168282905	KOSDSPITNIVXIP-UHFFFAOYSA-N	0	193.271	AF	2.922	0	Anodyne	ref	AFAARN	COc1csc2nc(C)cc(C)c12	 
Cc1ccc(Nc2ccc(N)cn2)cc1	ZINC000000336024	93/40/84/342934084	AVWOQRZDRCPGMU-UHFFFAOYSA-N	1	199.257	AF	2.716	2	Clean	low	AFCALO	Cc1ccc(Nc2ccc(N)c[nH+]2)cc1	 
Cc1ccc(Nc2ccc(N)cn2)cc1	ZINC000000336024	93/40/81/342934081	AVWOQRZDRCPGMU-UHFFFAOYSA-N	0	199.257	AF	2.716	0	Clean	ref	AFCARN	Cc1ccc(Nc2ccc(N)cn2)cc1	 
CCOc1ccc2[nH]c(=S)[nH]c2c1	ZINC000000336190	27/62/49/351276249	WUSCBOFBIYZVCQ-UHFFFAOYSA-N	0	194.259	AF	2.624	0	Anodyne	ref	AFAARN	CCOc1ccc2[nH]c(=S)[nH]c2c1	 
CCC(=O)c1cccc(C(=O)CC)c1	ZINC000000336216	93/40/06/342934006	GOKWLWCXKNANNW-UHFFFAOYSA-N	0	190.242	AF	2.872	0	Anodyne	ref	AFAARN	CCC(=O)c1cccc(C(=O)CC)c1	 
O/N=C1\CCCC#CCCCC1	ZINC000000336514	31/39/89/169313989	IPNXBIUNRHVWMX-KHPPLWFESA-N	0	165.236	AF	2.564	0	Mild	ref	AFEARN	O/N=C1\CCCC#CCCCC1	 
Cn1ccc2ccccc2c1=S	ZINC000000337055	04/76/24/169047624	IEXYLQOPBXUDSK-UHFFFAOYSA-N	0	175.256	AF	2.908	0	Anodyne	ref	AFAARN	Cn1ccc2ccccc2c1=S	 
O=C(O)[C@@H]1Cc2cccc3cccc1c23	ZINC000000337250	34/96/20/169349620	OMLGHGJYBKVAAR-LLVKDONJSA-N	-1	198.221	AF	2.564	0	Anodyne	ref	AFAARM	O=C([O-])[C@@H]1Cc2cccc3cccc1c23	 
O=C(O)[C@H]1Cc2cccc3cccc1c23	ZINC000000337251	35/43/55/169354355	OMLGHGJYBKVAAR-NSHDSACASA-N	-1	198.221	AF	2.564	0	Anodyne	ref	AFAARM	O=C([O-])[C@H]1Cc2cccc3cccc1c23	 
Cc1c(O)ccc2c1OC(C)(C)CC2	ZINC000000337282	93/42/79/342934279	NJZXGYBSNRPLPU-UHFFFAOYSA-N	0	192.258	AF	2.804	0	Anodyne	ref	AFAARN	Cc1c(O)ccc2c1OC(C)(C)CC2	 
CC(C)=NNc1cccc(C)c1	ZINC000000337305	27/63/43/351276343	YCLSWQHUMNJYPQ-UHFFFAOYSA-N	0	162.236	AF	2.803	0	Mild	ref	AFEARN	Cc1cccc(N=NC(C)C)c1	 
Cc1ccc(C#N)c(Br)c1	ZINC000000337338	99/43/28/170994328	JWCMJJIZYDCGTE-UHFFFAOYSA-N	0	196.047	AF	2.629	0	Mild	ref	AFEARN	Cc1ccc(C#N)c(Br)c1	 
COc1cc(C)c(C)cc1C(C)=O	ZINC000000337774	22/91/64/168229164	OSBUMVWTNSHAAG-UHFFFAOYSA-N	0	178.231	AF	2.515	0	Anodyne	ref	AFAARN	COc1cc(C)c(C)cc1C(C)=O	 
Cc1c(C(=O)O)sc2ccccc12	ZINC000000338997	93/43/71/342934371	YVKLUKXESFJRCE-UHFFFAOYSA-N	-1	192.239	AF	2.908	0	Anodyne	ref	AFAARM	Cc1c(C(=O)[O-])sc2ccccc12	 
COc1cc(C)cc(C)c1C(C)=O	ZINC000000339316	23/12/58/168231258	LQNUZJNWPUSUMG-UHFFFAOYSA-N	0	178.231	AF	2.515	0	Anodyne	ref	AFAARN	COc1cc(C)cc(C)c1C(C)=O	 
COc1cc(C)c(C(C)=O)c(C)c1	ZINC000000339317	22/87/18/168228718	LOQOGGQUEVRUSS-UHFFFAOYSA-N	0	178.231	AF	2.515	0	Anodyne	ref	AFAARN	COc1cc(C)c(C(C)=O)c(C)c1	 
O=C(O)c1ccc(Cl)cc1Cl	ZINC000000340730	35/72/35/169357235	ATCRIUVQKHMXSH-UHFFFAOYSA-N	-1	191.013	AF	2.692	0	Anodyne	ref	AFAARM	O=C([O-])c1ccc(Cl)cc1Cl	in-vitro
CC(=O)Nc1cccc(C)c1Cl	ZINC000000345507	93/47/71/342934771	FDVJSCRXROMJQW-UHFFFAOYSA-N	0	183.638	AF	2.607	0	Anodyne	ref	AFAARN	CC(=O)Nc1cccc(C)c1Cl	 
O=C(c1ccccc1)c1ccccc1O	ZINC000000388047	36/34/90/169363490	HJIAMFHSAAEUKR-UHFFFAOYSA-N	0	198.221	AF	2.623	1	Anodyne	mid	AFAAMN	O=C(c1ccccc1)c1ccccc1O	 
O=C(c1ccccc1)c1ccccc1O	ZINC000000388047	36/34/89/169363489	HJIAMFHSAAEUKR-UHFFFAOYSA-N	-1	198.221	AF	2.623	0	Anodyne	ref	AFAARM	O=C(c1ccccc1)c1ccccc1[O-]	 
O=C(O)c1ccc(Cl)c(Cl)c1	ZINC000000388271	35/72/53/169357253	VPHHJAOJUJHJKD-UHFFFAOYSA-N	-1	191.013	AF	2.692	0	Anodyne	ref	AFAARM	O=C([O-])c1ccc(Cl)c(Cl)c1	in-vitro
O=C(O)c1ccc2ccccc2c1	ZINC000000391805	93/67/34/342936734	UOBYKYZJUGYBDK-UHFFFAOYSA-N	-1	172.183	AF	2.538	0	Anodyne	ref	AFAARM	O=C([O-])c1ccc2ccccc2c1	in-vitro
Cc1ccc([C@@H](C)CC(=O)O)cc1	ZINC000000393397	93/66/78/342936678	ZWWPDLKCTGONCK-VIFPVBQESA-N	-1	178.231	AF	2.573	0	Anodyne	ref	AFAARM	Cc1ccc([C@@H](C)CC(=O)[O-])cc1	in-vitro biogenic
Cc1ccc([C@H](C)CC(=O)O)cc1	ZINC000000393398	93/68/37/342936837	ZWWPDLKCTGONCK-SECBINFHSA-N	-1	178.231	AF	2.573	0	Anodyne	ref	AFAARM	Cc1ccc([C@H](C)CC(=O)[O-])cc1	in-vitro biogenic
Cc1ccc(C(C)C)cc1NC=O	ZINC000000398353	80/25/95/168802595	QISOIFZWVXZQOR-UHFFFAOYSA-N	0	177.247	AF	2.687	0	Anodyne	ref	AFAARN	Cc1ccc(C(C)C)cc1NC=O	 
CC(=O)Nc1ccc(Cl)c(C)c1	ZINC000000398791	28/46/49/166284649	GQDALRCTGVFMGP-UHFFFAOYSA-N	0	183.638	AF	2.607	0	Anodyne	ref	AFAARN	CC(=O)Nc1ccc(Cl)c(C)c1	 
CC(C)(C)c1ccc(CC(=O)O)cc1	ZINC000000487304	38/40/93/166384093	RUAYXHSDAMWEDR-UHFFFAOYSA-N	-1	192.258	AF	2.611	0	Anodyne	ref	AFAARM	CC(C)(C)c1ccc(CC(=O)[O-])cc1	 
Cc1ccc2ncccc2c1C	ZINC000000967167	85/70/09/168857009	LPBZCHAUVPUVRY-UHFFFAOYSA-N	0	157.216	AF	2.852	0	Anodyne	ref	AFAARN	Cc1ccc2ncccc2c1C	 
c1ccc(CCc2ccncc2)cc1	ZINC000000967170	99/62/23/170996223	UWLBLNRDXXHYGS-UHFFFAOYSA-N	0	183.254	AF	2.867	0	Anodyne	ref	AFAARN	c1ccc(CCc2ccncc2)cc1	 
O=C1CCCC=C1c1ccccc1	ZINC000000967225	37/06/57/169370657	QBKAQTWEICLWHV-UHFFFAOYSA-N	0	172.227	AF	2.823	0	Mild	ref	AFEARN	O=C1CCCC=C1c1ccccc1	 
c1ccc2c3c([nH]c2c1)CCC3	ZINC000000967262	28/33/92/351283392	HZDXFZHFEASSBM-UHFFFAOYSA-N	0	157.216	AF	2.657	0	Anodyne	ref	AFAARN	c1ccc2c3c([nH]c2c1)CCC3	 
N#CCc1ccc2ccccc2c1	ZINC000000967334	10/41/79/169104179	LPCWDVLDJVZIHA-UHFFFAOYSA-N	0	167.211	AF	2.906	0	Mild	ref	AFEARN	N#CCc1ccc2ccccc2c1	 
Nc1ccccc1-c1ccccc1	ZINC000000967337	29/80/63/169298063	TWBPWBPGNQWFSJ-UHFFFAOYSA-N	0	169.227	AF	2.936	0	Anodyne	ref	AFAARN	Nc1ccccc1-c1ccccc1	in-vitro
c1ccc(Cc2ccccn2)cc1	ZINC000000967345	47/56/01/169475601	PCFUWBOSXMKGIP-UHFFFAOYSA-N	0	169.227	AF	2.672	0	Anodyne	ref	AFAARN	c1ccc(Cc2ccccn2)cc1	in-vitro
O=Cc1ccc2c3c(cccc13)CC2	ZINC000000967400	28/33/27/351283327	VNEOTRCBGZQYJT-UHFFFAOYSA-N	0	182.222	AF	2.751	0	Anodyne	ref	AFAARN	O=Cc1ccc2c3c(cccc13)CC2	 
COc1ccc2ccccc2c1	ZINC000000967412	26/44/20/168264420	LUZDYPLAQQGJEA-UHFFFAOYSA-N	0	158.2	AF	2.848	0	Anodyne	ref	AFAARN	COc1ccc2ccccc2c1	in-man endogenous
c1ccc(-c2ccc[nH]2)cc1	ZINC000000967488	28/31/70/351283170	IRTLROCMFSDSNF-UHFFFAOYSA-N	0	143.189	AF	2.682	0	Anodyne	ref	AFAARN	c1ccc(-c2ccc[nH]2)cc1	 
C[C@H](N)c1ccc2ccccc2c1	ZINC000000967489	94/23/70/342942370	KHSYYLCXQKCYQX-VIFPVBQESA-N	1	171.243	AF	2.86	0	Anodyne	ref	AFAARO	C[C@H]([NH3+])c1ccc2ccccc2c1	 
Cc1ccc(C(C)C)c(O)c1	ZINC000000967597	94/23/76/342942376	MGSRCZKZVOBKFT-UHFFFAOYSA-N	0	150.221	AF	2.824	0	Anodyne	ref	AFAARN	Cc1ccc(C(C)C)c(O)c1	fda biogenic
Oc1ccc2ccccc2c1	ZINC000000967928	28/31/49/351283149	JWAZRIHNYRIHIV-UHFFFAOYSA-N	0	144.173	AF	2.545	0	Anodyne	ref	AFAARN	Oc1ccc2ccccc2c1	world endogenous
O=C1c2ccccc2-c2ccccc21	ZINC000000968253	39/34/02/169393402	YLQWCDOCJODRMT-UHFFFAOYSA-N	0	180.206	AF	2.898	0	Anodyne	ref	AFAARN	O=C1c2ccccc2-c2ccccc21	in-vitro
Clc1cnc(-c2ccccc2)cn1	ZINC000001020119	02/66/36/169026636	IKWXPYFPNVAWJY-UHFFFAOYSA-N	0	190.633	AF	2.797	0	Anodyne	ref	AFAARN	Clc1cnc(-c2ccccc2)cn1