COc1ccccc1OC(=O)c1ccccc1	ZINC000000000349	34/06/17/175340617	IZYQCDNLUPLXOO-UHFFFAOYSA-N	0	228.247	BF	2.914	0	Anodyne	ref	BFAARN	COc1ccccc1OC(=O)c1ccccc1	 
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1	ZINC000000000500	06/60/77/175066077	MJVGBKJNTFCUJM-UHFFFAOYSA-N	0	242.274	BF	2.94	1	Anodyne	mid	BFAAMN	COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1	world
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1	ZINC000000000500	06/60/76/175066076	MJVGBKJNTFCUJM-UHFFFAOYSA-N	-1	242.274	BF	2.94	0	Anodyne	ref	BFAARM	COc1ccc(C(=O)c2ccc(C)cc2)c([O-])c1	world
COC1=CC(=O)O[C@H](/C=C/c2ccccc2)C1	ZINC000000001102	01/28/93/174012893	XEAQIWGXBXCYFX-ABZNLYFFSA-N	0	230.263	BF	2.546	0	Anodyne	ref	BFAARN	COC1=CC(=O)O[C@H](/C=C/c2ccccc2)C1	aggregator in-vitro biogenic
Oc1ccc(OCc2ccccc2)cc1	ZINC000000001748	27/74/92/183277492	VYQNWZOUAUKGHI-UHFFFAOYSA-N	0	200.237	BF	2.971	0	Anodyne	ref	BFAARN	Oc1ccc(OCc2ccccc2)cc1	world
O=C(O)Cc1ccc(-c2ccccc2)cc1	ZINC000000002318	81/80/22/383818022	QRZAKQDHEVVFRX-UHFFFAOYSA-N	-1	212.248	BF	2.981	0	Anodyne	ref	BFAARM	O=C([O-])Cc1ccc(-c2ccccc2)cc1	world
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	ZINC000000006787	26/54/60/183265460	LUKBXSAWLPMMSZ-OWOJBTEDSA-N	0	228.247	BF	2.974	0	Anodyne	ref	BFAARN	Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	world endogenous
Nc1nc(-c2ccc(F)cc2F)cs1	ZINC000000035785	77/62/14/181776214	HKUPOLYVZQLXKP-UHFFFAOYSA-N	0	212.224	BF	2.671	0	Anodyne	ref	BFAARN	Nc1nc(-c2ccc(F)cc2F)cs1	 
COC(=O)c1ccccc1C(=O)c1ccccc1	ZINC000000036688	81/86/35/383818635	NQSMEZJWJJVYOI-UHFFFAOYSA-N	0	240.258	BF	2.704	0	Anodyne	ref	BFAARN	COC(=O)c1ccccc1C(=O)c1ccccc1	 
O=C(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000000038464	61/06/00/182610600	LUSSRKMAXZEBEC-UHFFFAOYSA-N	0	243.218	BF	2.814	0	Bother	ref	BFBARN	O=C(Oc1ccccc1)c1ccc([N+](=O)[O-])cc1	 
COc1ccc(C(=O)c2ccc(OC)cc2)cc1	ZINC000000056447	58/30/76/187583076	RFVHVYKVRGKLNK-UHFFFAOYSA-N	0	242.274	BF	2.935	0	Anodyne	ref	BFAARN	COc1ccc(C(=O)c2ccc(OC)cc2)cc1	 
O=C(O)c1cc(F)c(Cl)cc1Cl	ZINC000000056742	67/19/53/342671953	KZCWJHUTTSVCRO-UHFFFAOYSA-N	-1	209.003	BF	2.831	0	Anodyne	ref	BFAARM	O=C([O-])c1cc(F)c(Cl)cc1Cl	in-vitro
CC(=O)Nc1ccc(Br)cc1F	ZINC000000056819	80/91/19/322809119	BCYGKMDWQBWUSC-UHFFFAOYSA-N	0	232.052	BF	2.547	0	Anodyne	ref	BFAARN	CC(=O)Nc1ccc(Br)cc1F	 
CC(=O)Nc1ccc(F)cc1Br	ZINC000000056843	82/21/19/383822119	JAVSBNOXENOHEI-UHFFFAOYSA-N	0	232.052	BF	2.547	0	Anodyne	ref	BFAARN	CC(=O)Nc1ccc(F)cc1Br	 
O=[N+]([O-])/C=C/c1c(F)cccc1Cl	ZINC000000056945	67/18/89/342671889	JCIAIKBVPVMTBD-SNAWJCMRSA-N	0	201.584	BF	2.727	0	Anodyne	ref	BFAARN	O=[N+]([O-])/C=C/c1c(F)cccc1Cl	 
O=C(O)/C=C/c1ccc(F)c(Br)c1	ZINC000000057073	82/15/44/383821544	ZNIGVADAKXOMQH-DUXPYHPUSA-N	-1	245.047	BF	2.686	0	Anodyne	ref	BFAARM	O=C([O-])/C=C/c1ccc(F)c(Br)c1	in-vitro biogenic
O=C(O)/C=C/c1ccc(Br)cc1F	ZINC000000057075	82/20/69/383822069	SVJGKQYKYNDYMU-DUXPYHPUSA-N	-1	245.047	BF	2.686	0	Anodyne	ref	BFAARM	O=C([O-])/C=C/c1ccc(Br)cc1F	 
O=C(O)/C=C/c1cc(Br)ccc1F	ZINC000000057077	82/21/81/383822181	ROTBALNVXDGIQY-DAFODLJHSA-N	-1	245.047	BF	2.686	0	Anodyne	ref	BFAARM	O=C([O-])/C=C/c1cc(Br)ccc1F	 
O=C(O)CCCc1c[nH]c2ccccc12	ZINC000000057378	44/14/78/182441478	JTEDVYBZBROSJT-UHFFFAOYSA-N	-1	203.241	BF	2.575	0	Anodyne	ref	BFAARM	O=C([O-])CCCc1c[nH]c2ccccc12	in-man endogenous
CCOc1ccc2c(C)cc(=O)oc2c1	ZINC000000057722	49/97/40/346499740	NKRISXMDKXBVRJ-UHFFFAOYSA-N	0	204.225	BF	2.5	0	Anodyne	ref	BFAARN	CCOc1ccc2c(C)cc(=O)oc2c1	in-man endogenous
COc1c2ccoc2cc2oc(=O)ccc12	ZINC000000057731	04/46/03/363044603	BGEBZHIAGXMEMV-UHFFFAOYSA-N	0	216.192	BF	2.548	0	Anodyne	ref	BFAARN	COc1c2ccoc2cc2oc(=O)ccc12	world endogenous
O=Cc1coc2c(Cl)cc(Cl)cc2c1=O	ZINC000000057739	82/22/06/383822206	IHCCHRKNCOFDAJ-UHFFFAOYSA-N	0	243.045	BF	2.912	0	Anodyne	ref	BFAARN	O=Cc1coc2c(Cl)cc(Cl)cc2c1=O	 
CC(C)c1ccc2occ(C=O)c(=O)c2c1	ZINC000000057745	67/21/78/342672178	FRRYMYQANNFABF-UHFFFAOYSA-N	0	216.236	BF	2.729	0	Anodyne	ref	BFAARN	CC(C)c1ccc2occ(C=O)c(=O)c2c1	 
CCc1c(C#N)c(=O)oc2ccc(C)cc12	ZINC000000057776	76/12/06/345761206	IERFIFFZNPLCNQ-UHFFFAOYSA-N	0	213.236	BF	2.536	0	Mild	ref	BFEARN	CCc1c(C#N)c(=O)oc2ccc(C)cc12	 
O=c1c(Br)coc2ccc(F)cc12	ZINC000000057793	98/25/97/182982597	KASZNDJKYQAXNZ-UHFFFAOYSA-N	0	243.031	BF	2.695	0	Anodyne	ref	BFAARN	O=c1c(Br)coc2ccc(F)cc12	in-vitro biogenic
CCOc1cc(=O)oc2ccc(Cl)cc12	ZINC000000057801	99/78/24/343997824	ZZAJTJPBNSSWHI-UHFFFAOYSA-N	0	224.643	BF	2.845	0	Anodyne	ref	BFAARN	CCOc1cc(=O)oc2ccc(Cl)cc12	 
CCOc1cc(=O)oc2ccc(C)cc12	ZINC000000057839	99/76/24/343997624	UWYBUCACTOISFA-UHFFFAOYSA-N	0	204.225	BF	2.5	0	Anodyne	ref	BFAARN	CCOc1cc(=O)oc2ccc(C)cc12	 
Cc1ccc2oc(=O)c([N+](=O)[O-])c(Cl)c2c1	ZINC000000057897	09/77/51/344097751	CXEUQTVZPWYAKP-UHFFFAOYSA-N	0	239.614	BF	2.663	0	Bother	ref	BFBARN	Cc1ccc2oc(=O)c([N+](=O)[O-])c(Cl)c2c1	 
Cc1ccc2c(Cl)c([N+](=O)[O-])c(=O)oc2c1	ZINC000000057899	09/75/46/344097546	ZLEPGHSDFWBORW-UHFFFAOYSA-N	0	239.614	BF	2.663	0	Bother	ref	BFBARN	Cc1ccc2c(Cl)c([N+](=O)[O-])c(=O)oc2c1	 
O=c1cc(C(F)(F)F)c2ccc(O)cc2o1	ZINC000000057916	67/21/51/342672151	CCKWMCUOHJAVOL-UHFFFAOYSA-N	-1	230.141	BF	2.517	1	Anodyne	mid	BFAAMM	O=c1cc(C(F)(F)F)c2ccc([O-])cc2o1	 
O=c1cc(C(F)(F)F)c2ccc(O)cc2o1	ZINC000000057916	67/21/50/342672150	CCKWMCUOHJAVOL-UHFFFAOYSA-N	0	230.141	BF	2.517	0	Anodyne	ref	BFAARN	O=c1cc(C(F)(F)F)c2ccc(O)cc2o1	 
Cc1cc2occ(C#N)c(=O)c2cc1Cl	ZINC000000057929	30/73/20/178307320	QJYOVWJKXADAIP-UHFFFAOYSA-N	0	219.627	BF	2.627	0	Mild	ref	BFEARN	Cc1cc2occ(C#N)c(=O)c2cc1Cl	in-vitro biogenic
O=c1c(Br)coc2ccccc12	ZINC000000057933	67/20/90/342672090	IQIGYNPOESZBDJ-UHFFFAOYSA-N	0	225.041	BF	2.556	0	Anodyne	ref	BFAARN	O=c1c(Br)coc2ccccc12	 
O=c1ccoc2ccc(Br)cc12	ZINC000000057934	00/72/37/183007237	XVNBWGGBXOJIDR-UHFFFAOYSA-N	0	225.041	BF	2.556	0	Anodyne	ref	BFAARN	O=c1ccoc2ccc(Br)cc12	 
Cc1cc2occ(C=O)c(=O)c2cc1Cl	ZINC000000057968	30/78/55/178307855	NULJNFUEBPQUNB-UHFFFAOYSA-N	0	222.627	BF	2.567	0	Anodyne	ref	BFAARN	Cc1cc2occ(C=O)c(=O)c2cc1Cl	 
O=c1cc(O)c2cc(Cl)cc(Cl)c2o1	ZINC000000057988	67/21/02/342672102	PCBFNVWYTUVIOL-UHFFFAOYSA-N	-1	231.034	BF	2.805	0	Anodyne	ref	BFAARM	O=c1cc([O-])c2cc(Cl)cc(Cl)c2o1	in-vitro biogenic
CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1	ZINC000000058015	60/40/12/388604012	LOUYEVRVQGFIFB-UHFFFAOYSA-N	0	242.278	BF	2.511	0	Mild	ref	BFEARN	CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1	 
CCOc1cc(=O)oc2cc(C)ccc12	ZINC000000058024	99/77/40/343997740	UQNGBKYOCBSSOA-UHFFFAOYSA-N	0	204.225	BF	2.5	0	Anodyne	ref	BFAARN	CCOc1cc(=O)oc2cc(C)ccc12	 
CCOc1ccc2oc(=O)cc(C)c2c1	ZINC000000058025	67/21/43/342672143	CAJUPFPBROFVEL-UHFFFAOYSA-N	0	204.225	BF	2.5	0	Anodyne	ref	BFAARN	CCOc1ccc2oc(=O)cc(C)c2c1	 
CCN(CC)c1ccc2ccc(=O)oc2c1	ZINC000000058059	82/10/13/383821013	QXAMGWKESXGGNV-UHFFFAOYSA-N	0	217.268	BF	2.639	0	Anodyne	ref	BFAARN	CCN(CC)c1ccc2ccc(=O)oc2c1	 
CCOc1cc2oc(=O)cc(C)c2cc1OCC	ZINC000000058068	67/20/41/342672041	BVALWPRSDDHKIU-UHFFFAOYSA-N	0	248.278	BF	2.899	0	Anodyne	ref	BFAARN	CCOc1cc2oc(=O)cc(C)c2cc1OCC	 
Cc1cc2oc(=O)c(C#N)c(C)c2cc1Cl	ZINC000000058082	30/78/88/178307888	NUWIWGKMNPHRAI-UHFFFAOYSA-N	0	233.654	BF	2.935	0	Mild	ref	BFEARN	Cc1cc2oc(=O)c(C#N)c(C)c2cc1Cl	 
Cc1c(C#N)c(=O)oc2ccc(Cl)cc12	ZINC000000058083	55/62/28/177556228	JYTVXFGXASPMRG-UHFFFAOYSA-N	0	219.627	BF	2.627	0	Mild	ref	BFEARN	Cc1c(C#N)c(=O)oc2ccc(Cl)cc12	 
COc1ccc2nc(Cl)c(C=O)cc2c1	ZINC000000058230	22/89/23/175228923	TZQOMBXDCIPJKW-UHFFFAOYSA-N	0	221.643	BF	2.709	0	Anodyne	ref	BFAARN	COc1ccc2nc(Cl)c(C=O)cc2c1	 
O=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1	ZINC000000058245	09/76/83/344097683	SFJCUOAQTGDBPO-UHFFFAOYSA-N	0	244.037	BF	2.845	0	Bother	ref	BFBARN	O=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1	 
CCOC(=O)c1cc(Cl)c(O)c(Cl)c1	ZINC000000058255	29/21/67/170292167	WMKNGSJJEMFQOT-UHFFFAOYSA-N	-1	235.066	BF	2.876	0	Anodyne	ref	BFAARM	CCOC(=O)c1cc(Cl)c([O-])c(Cl)c1	 
CCOC(=O)c1ccc(N(CC)CC)cc1	ZINC000000058256	29/62/92/170296292	XPKFLEVLLPKCIW-UHFFFAOYSA-N	0	221.3	BF	2.71	0	Anodyne	ref	BFAARN	CCOC(=O)c1ccc(N(CC)CC)cc1	 
COc1ccccc1C(=O)c1ccccc1	ZINC000000071486	32/02/27/175320227	CSUUDNFYSFENAE-UHFFFAOYSA-N	0	212.248	BF	2.926	0	Anodyne	ref	BFAARN	COc1ccccc1C(=O)c1ccccc1	 
Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000000092387	67/41/81/342674181	NDCSJUJQMRFHEX-UHFFFAOYSA-N	0	212.224	BF	2.671	0	Anodyne	ref	BFAARN	Nc1nc(-c2ccc(F)c(F)c2)cs1	 
O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1	ZINC000000093334	95/35/67/182953567	CCUGBHTWDHSEOA-UHFFFAOYSA-N	0	234.186	BF	2.921	0	Bother	ref	BFBARN	O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1	 
Nc1cccnc1Oc1ccc(F)cc1F	ZINC000000093337	67/39/77/342673977	LCPVQAHEFVXVKT-UHFFFAOYSA-N	0	222.194	BF	2.734	0	Anodyne	ref	BFAARN	Nc1cccnc1Oc1ccc(F)cc1F	 
O=[N+]([O-])c1cccnc1Oc1ccccc1F	ZINC000000093360	32/78/16/344327816	BWWQVVFSTXRVGB-UHFFFAOYSA-N	0	234.186	BF	2.921	0	Bother	ref	BFBARN	O=[N+]([O-])c1cccnc1Oc1ccccc1F	 
Nc1cccnc1Oc1ccccc1F	ZINC000000093362	67/41/72/342674172	IGBWSEKNQXELDI-UHFFFAOYSA-N	0	204.204	BF	2.595	0	Anodyne	ref	BFAARN	Nc1cccnc1Oc1ccccc1F	 
O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000000103330	37/83/61/182378361	VWIRWLAPFZXYSL-UHFFFAOYSA-N	0	242.234	BF	2.847	0	Bother	ref	BFBARN	O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1	 
COc1c2ccoc2cc2oc(C)cc(=O)c12	ZINC000000120179	93/66/82/174936682	NZVQLVGOZRELTG-UHFFFAOYSA-N	0	230.219	BF	2.856	0	Anodyne	ref	BFAARN	COc1c2ccoc2cc2oc(C)cc(=O)c12	in-vitro biogenic
O=C(Nc1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000000121139	37/85/59/182378559	RNFCQIOHQPIUOI-UHFFFAOYSA-N	0	242.234	BF	2.847	0	Bother	ref	BFBARN	O=C(Nc1ccccc1)c1ccccc1[N+](=O)[O-]	in-vitro
O=Cc1cc(Cl)cc(Br)c1O	ZINC000000122906	83/09/61/383830961	KNOYZLVIXXBBIB-UHFFFAOYSA-N	0	235.464	BF	2.621	2	Anodyne	low	BFAALN	O=Cc1cc(Cl)cc(Br)c1O	 
O=Cc1cc(Cl)cc(Br)c1O	ZINC000000122906	83/09/55/383830955	KNOYZLVIXXBBIB-UHFFFAOYSA-N	-1	235.464	BF	2.621	0	Anodyne	ref	BFAARM	O=Cc1cc(Cl)cc(Br)c1[O-]	 
CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	ZINC000000125199	82/94/98/383829498	OBEXUAPBTUTPDV-UHFFFAOYSA-N	0	239.274	BF	2.876	0	Anodyne	ref	BFAARN	CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	 
COc1c(Cl)ccc(Cl)c1C(=O)O	ZINC000000126322	67/60/53/342676053	IWEDIXLBFLAXBO-UHFFFAOYSA-N	-1	221.039	BF	2.7	0	Anodyne	ref	BFAARM	COc1c(Cl)ccc(Cl)c1C(=O)[O-]	in-vitro
O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000000132340	67/82/21/182678221	MFYLRNKOXORIPK-UHFFFAOYSA-N	0	227.219	BF	2.826	0	Bother	ref	BFBARN	O=C(c1ccccc1)c1cccc([N+](=O)[O-])c1	 
O=C(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000132767	55/88/74/344558874	ICDAYOOBGHYICW-UHFFFAOYSA-N	0	245.209	BF	2.965	0	Bother	ref	BFBARN	O=C(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	 
Nc1ccccc1C(=O)Nc1ccccc1	ZINC000000150129	75/29/47/181752947	FDPVTENMNDHFNK-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Anodyne	ref	BFAARN	Nc1ccccc1C(=O)Nc1ccccc1	 
O=C(O)/C=C/c1c(F)cccc1Cl	ZINC000000152630	41/22/64/182412264	NDWALECYVLNBQG-SNAWJCMRSA-N	-1	200.596	BF	2.577	0	Anodyne	ref	BFAARM	O=C([O-])/C=C/c1c(F)cccc1Cl	 
CCOC(CNc1ccc(F)cc1)OCC	ZINC000000153130	31/55/44/170315544	RSSWNXUJKRPPQC-UHFFFAOYSA-N	0	227.279	BF	2.637	0	Anodyne	ref	BFAARN	CCOC(CNc1ccc(F)cc1)OCC	 
CC(=O)c1sccc1Br	ZINC000000153408	49/28/08/166492808	ZUXPELAHJQSZTE-UHFFFAOYSA-N	0	205.076	BF	2.713	0	Anodyne	ref	BFAARN	CC(=O)c1sccc1Br	 
Nc1cccc(OC(F)(F)C(F)F)c1	ZINC000000153616	67/74/11/342677411	MWDPEBMCVXNSPL-UHFFFAOYSA-N	0	209.142	BF	2.506	0	Anodyne	ref	BFAARN	Nc1cccc(OC(F)(F)C(F)F)c1	 
O=Cc1c[nH]c2c(F)c(F)c(F)c(F)c12	ZINC000000154005	83/51/98/383835198	BHGCCJJOMNIVOA-UHFFFAOYSA-N	0	217.121	BF	2.537	0	Anodyne	ref	BFAARN	O=Cc1c[nH]c2c(F)c(F)c(F)c(F)c12	 
N#Cc1ccc(C(F)(F)F)nc1Cl	ZINC000000154427	09/83/95/188098395	CDSFASYGONAHHN-UHFFFAOYSA-N	0	206.554	BF	2.625	0	Mild	ref	BFEARN	N#Cc1ccc(C(F)(F)F)nc1Cl	 
O=C(c1ccc(O)cc1)c1ccc(F)cc1	ZINC000000154654	67/76/36/342677636	HLRVUOFDBXRZBI-UHFFFAOYSA-N	-1	216.211	BF	2.762	1	Anodyne	mid	BFAAMM	O=C(c1ccc([O-])cc1)c1ccc(F)cc1	 
O=C(c1ccc(O)cc1)c1ccc(F)cc1	ZINC000000154654	67/76/34/342677634	HLRVUOFDBXRZBI-UHFFFAOYSA-N	0	216.211	BF	2.762	0	Anodyne	ref	BFAARN	O=C(c1ccc(O)cc1)c1ccc(F)cc1	 
O=C(O)Cc1ccccc1OCc1ccccc1	ZINC000000156109	83/69/19/383836919	VFYKRBZHJFJOGQ-UHFFFAOYSA-N	-1	242.274	BF	2.893	0	Anodyne	ref	BFAARM	O=C([O-])Cc1ccccc1OCc1ccccc1	 
COc1ccc([C@H](O)c2ccccc2)cc1	ZINC000000156185	19/38/88/175193888	BEGZWXVLBIZFKQ-CQSZACIVSA-N	0	214.264	BF	2.777	0	Anodyne	ref	BFAARN	COc1ccc([C@H](O)c2ccccc2)cc1	 
COc1ccc([C@@H](O)c2ccccc2)cc1	ZINC000000156186	83/68/45/383836845	BEGZWXVLBIZFKQ-AWEZNQCLSA-N	0	214.264	BF	2.777	0	Anodyne	ref	BFAARN	COc1ccc([C@@H](O)c2ccccc2)cc1	 
CCOC(=O)c1ccccc1C(F)(F)F	ZINC000000156326	45/36/54/188453654	BQLMZZVRHPZRBQ-UHFFFAOYSA-N	0	218.174	BF	2.882	0	Anodyne	ref	BFAARN	CCOC(=O)c1ccccc1C(F)(F)F	 
N#Cc1ccc(C(=O)c2ccccc2)cc1	ZINC000000157115	29/41/34/385294134	YSZWJJANSNFQMM-UHFFFAOYSA-N	0	207.232	BF	2.789	0	Mild	ref	BFEARN	N#Cc1ccc(C(=O)c2ccccc2)cc1	 
COc1ccc(C(=O)Nc2ccccc2)cc1N	ZINC000000157178	06/38/75/175063875	LHMQDVIHBXWNII-UHFFFAOYSA-N	0	242.278	BF	2.53	0	Anodyne	ref	BFAARN	COc1ccc(C(=O)Nc2ccccc2)cc1N	 
O=C(O)c1ccccc1C(=O)c1ccccc1	ZINC000000157193	58/11/42/182581142	FGTYTUFKXYPTML-UHFFFAOYSA-N	-1	226.231	BF	2.616	0	Anodyne	ref	BFAARM	O=C([O-])c1ccccc1C(=O)c1ccccc1	 
COc1ncc(C(F)(F)F)cc1Cl	ZINC000000157719	58/25/09/187582509	ZRRBUQUZQJTWRO-UHFFFAOYSA-N	0	211.57	BF	2.762	0	Anodyne	ref	BFAARN	COc1ncc(C(F)(F)F)cc1Cl	 
CCC(=O)c1cc(Br)ccc1O	ZINC000000158044	25/47/88/168254788	NDXLYRKTHTZXRC-UHFFFAOYSA-N	-1	229.073	BF	2.747	3	Anodyne	high	BFAAHM	CCC(=O)c1cc(Br)ccc1[O-]	 
CCC(=O)c1cc(Br)ccc1O	ZINC000000158044	25/47/87/168254787	NDXLYRKTHTZXRC-UHFFFAOYSA-N	0	229.073	BF	2.747	0	Anodyne	ref	BFAARN	CCC(=O)c1cc(Br)ccc1O	 
O=[N+]([O-])c1cc(F)c(Br)cc1F	ZINC000000160132	57/88/70/344578870	GJFYMYJYPARISZ-UHFFFAOYSA-N	0	237.987	BF	2.636	0	Bother	ref	BFBARN	O=[N+]([O-])c1cc(F)c(Br)cc1F	 
CCOc1cccc(OCC(F)(F)F)c1C#N	ZINC000000162072	36/83/18/369368318	YZBRNALJPGILPM-UHFFFAOYSA-N	0	245.2	BF	2.898	0	Mild	ref	BFEARN	CCOc1cccc(OCC(F)(F)F)c1C#N	 
CCOC(=O)c1ccc(C(F)(F)F)cc1	ZINC000000162661	29/55/58/170295558	ZQDADDSPMCHZPX-UHFFFAOYSA-N	0	218.174	BF	2.882	0	Anodyne	ref	BFAARN	CCOC(=O)c1ccc(C(F)(F)F)cc1	 
COc1ccc(F)cc1Br	ZINC000000164569	27/20/37/188272037	JIQXVIJARQLCOY-UHFFFAOYSA-N	0	205.026	BF	2.597	0	Anodyne	ref	BFAARN	COc1ccc(F)cc1Br	 
Fc1ccc(I)cc1F	ZINC000000164594	67/87/67/342678767	KSASJELKLBIMSG-UHFFFAOYSA-N	0	239.99	BF	2.569	0	Anodyne	ref	BFAARN	Fc1ccc(I)cc1F	 
Cc1nc(C(F)(F)F)nc(Cl)c1C	ZINC000000166498	89/70/72/179897072	QKXBEKRDGUZIFQ-UHFFFAOYSA-N	0	210.586	BF	2.766	0	Anodyne	ref	BFAARN	Cc1nc(C(F)(F)F)nc(Cl)c1C	 
FC(F)(F)c1ccc(Br)nc1	ZINC000000166552	83/85/05/383838505	GSKMWMFOQQBVMI-UHFFFAOYSA-N	0	225.995	BF	2.863	0	Anodyne	ref	BFAARN	FC(F)(F)c1ccc(Br)nc1	 
Cn1cccc1[C@@H](C#N)c1cccc(F)c1C#N	ZINC000000167319	67/87/39/342678739	WNKVQLPPLKLOOG-LBPRGKRZSA-N	0	239.253	BF	2.691	0	Mild	ref	BFEARN	Cn1cccc1[C@@H](C#N)c1cccc(F)c1C#N	 
Cn1cccc1[C@H](C#N)c1cccc(F)c1C#N	ZINC000000167321	67/86/58/342678658	WNKVQLPPLKLOOG-GFCCVEGCSA-N	0	239.253	BF	2.691	0	Mild	ref	BFEARN	Cn1cccc1[C@H](C#N)c1cccc(F)c1C#N	 
N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1F	ZINC000000167795	05/72/43/181057243	VIUNVHHXBJJUMQ-SECBINFHSA-N	0	247.66	BF	2.925	3	Mild	high	BFEAHN	N#CC(c1ccc(Cl)nn1)c1ccccc1F	 
N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1F	ZINC000000167795	05/72/42/181057242	VIUNVHHXBJJUMQ-SECBINFHSA-N	0	247.66	BF	2.925	0	Mild	ref	BFEARN	N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1F	 
N#C[C@H](c1ccc(Cl)nn1)c1ccccc1F	ZINC000000167797	06/67/11/181066711	VIUNVHHXBJJUMQ-VIFPVBQESA-N	0	247.66	BF	2.925	3	Mild	high	BFEAHN	N#CC(c1ccc(Cl)nn1)c1ccccc1F	 
N#C[C@H](c1ccc(Cl)nn1)c1ccccc1F	ZINC000000167797	06/67/09/181066709	VIUNVHHXBJJUMQ-VIFPVBQESA-N	0	247.66	BF	2.925	0	Mild	ref	BFEARN	N#C[C@H](c1ccc(Cl)nn1)c1ccccc1F	 
Fc1ccc(-c2nnsc2Cl)cc1	ZINC000000168601	67/89/39/342678939	FCNANLLBSCATLF-UHFFFAOYSA-N	0	214.652	BF	2.998	0	Anodyne	ref	BFAARN	Fc1ccc(-c2nnsc2Cl)cc1	 
N#CC(C#N)c1ncc(C(F)(F)F)cc1Cl	ZINC000000169459	02/76/31/181027631	VTOFPCYTNQCBJU-UHFFFAOYSA-N	0	245.591	BF	2.885	0	Mild	ref	BFEARN	N#CC(C#N)c1ncc(C(F)(F)F)cc1Cl	 
O=C(O)c1ccc(OCc2ccccc2)cc1	ZINC000000169677	89/24/59/355892459	AQSCHALQLXXKKC-UHFFFAOYSA-N	-1	228.247	BF	2.964	0	Anodyne	ref	BFAARM	O=C([O-])c1ccc(OCc2ccccc2)cc1	in-vitro
Oc1cc(-n2cccc2)c(F)cc1Cl	ZINC000000170097	25/75/69/183257569	DTSJUZKIJJZXCD-UHFFFAOYSA-N	-1	211.623	BF	2.975	1	Anodyne	mid	BFAAMM	[O-]c1cc(-n2cccc2)c(F)cc1Cl	 
Oc1cc(-n2cccc2)c(F)cc1Cl	ZINC000000170097	25/75/63/183257563	DTSJUZKIJJZXCD-UHFFFAOYSA-N	0	211.623	BF	2.975	0	Anodyne	ref	BFAARN	Oc1cc(-n2cccc2)c(F)cc1Cl	 
O=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1	ZINC000000170627	67/93/03/342679303	BVEFCNSLJKPSEA-OKILXGFUSA-N	1	229.323	BF	2.773	1	Anodyne	mid	BFAAMO	O=C1C[C@@H]2CCC[C@H](C1)[N@H+]2Cc1ccccc1