Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1	ZINC000000035741	27/17/16/178271716	FBOFZGVRTYRGSR-UHFFFAOYSA-N	0	231.207	BF	2.976	0	Bother	ref	BFBARN	Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1	 
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000035742	33/58/98/384335898	RTSOJVJDKNKNFU-UHFFFAOYSA-N	0	217.18	BF	2.667	0	Bother	ref	BFBARN	O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	in-vitro
O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000000035743	86/56/66/182865666	DXUACWQWQDJZMY-UHFFFAOYSA-N	0	217.18	BF	2.667	0	Bother	ref	BFBARN	O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	 
CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1	ZINC000000035746	29/45/30/170294530	UWLKFGFYBKJASW-UHFFFAOYSA-N	0	244.246	BF	2.936	0	Anodyne	ref	BFAARN	CCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1	 
CCOC(=O)c1c(C)n(CC)c2ccc(O)cc12	ZINC000000054901	28/81/92/170288192	FXMYTLXTYCIQED-UHFFFAOYSA-N	0	247.294	BF	2.852	0	Anodyne	ref	BFAARN	CCOC(=O)c1c(C)n(CC)c2ccc(O)cc12	 
CCOC(=O)c1c(C)oc2ccc(O)cc12	ZINC000000095509	28/82/07/170288207	KSNVFCJUBJUTPF-UHFFFAOYSA-N	0	220.224	BF	2.624	0	Anodyne	ref	BFAARN	CCOC(=O)c1c(C)oc2ccc(O)cc12	 
Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1	ZINC000000136158	67/65/77/342676577	ZHXBPRJAAQLLMC-UHFFFAOYSA-N	0	239.2	BF	2.745	0	Anodyne	ref	BFAARN	Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1	 
O=C(O)c1csc(-c2cccs2)n1	ZINC000000158692	67/80/54/342678054	FGKCNTGJZXHKFJ-UHFFFAOYSA-N	-1	211.267	BF	2.57	0	Anodyne	ref	BFAARM	O=C([O-])c1csc(-c2cccs2)n1	 
Cc1ccc(C(=O)CBr)cc1	ZINC000000159088	17/75/09/560177509	KRVGXFREOJHJAX-UHFFFAOYSA-N	0	213.074	BF	2.573	0	Reactive	ref	BFGARN	Cc1ccc(C(=O)CBr)cc1	in-vitro
O=Cc1c(-c2ccccc2)nc2sccn12	ZINC000000168229	85/86/42/182858642	RRHHDLZBYCPJAW-UHFFFAOYSA-N	0	228.276	BF	2.875	0	Anodyne	ref	BFAARN	O=Cc1c(-c2ccccc2)nc2sccn12	 
Cc1cc(SCC(=O)O)nc2ccccc12	ZINC000000206802	21/84/20/178218420	LYRXFOXCAABCMR-UHFFFAOYSA-N	-1	233.292	BF	2.72	0	Anodyne	ref	BFAARM	Cc1cc(SCC(=O)[O-])nc2ccccc12	 
N#CCC(=O)c1ccc(Br)cc1	ZINC000000251883	03/41/56/181034156	HSNWUXWZCSDJPL-UHFFFAOYSA-N	-1	224.057	BF	2.545	3	Mild	high	BFEAHM	N#CC=C([O-])c1ccc(Br)cc1	 
N#CCC(=O)c1ccc(Br)cc1	ZINC000000251883	03/41/55/181034155	HSNWUXWZCSDJPL-UHFFFAOYSA-N	0	224.057	BF	2.545	0	Mild	ref	BFEARN	N#CCC(=O)c1ccc(Br)cc1	 
COc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1	ZINC000000276287	03/28/85/175032885	KJPUSAJELIKPIW-UHFFFAOYSA-N	0	247.206	BF	2.676	0	Bother	ref	BFBARN	COc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1	 
O=Cc1c(-c2ccccc2)nc2ccccn12	ZINC000000337535	85/67/64/383856764	GDQWGRMPXASNTI-UHFFFAOYSA-N	0	222.247	BF	2.814	0	Anodyne	ref	BFAARN	O=Cc1c(-c2ccccc2)nc2ccccn12	 
Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1	ZINC000000388660	41/09/95/574410995	ADFCQWZHKCXPAJ-LBPRGKRZSA-N	0	242.274	BF	2.817	0	Anodyne	ref	BFAARN	Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1	in-vitro endogenous
Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1	ZINC000000388661	27/78/29/183277829	ADFCQWZHKCXPAJ-GFCCVEGCSA-N	0	242.274	BF	2.817	0	Anodyne	ref	BFAARN	Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1	investigational endogenous
Cc1cc(C)n(CCc2nc3ccccc3[nH]2)n1	ZINC000000405759	68/70/18/342687018	HQLLOOUJIPKQTD-UHFFFAOYSA-N	1	240.31	BF	2.619	2	Anodyne	low	BFAALO	Cc1cc(C)n(CCc2[nH]c3ccccc3[nH+]2)n1	 
Cc1cc(C)n(CCc2nc3ccccc3[nH]2)n1	ZINC000000405759	68/70/15/342687015	HQLLOOUJIPKQTD-UHFFFAOYSA-N	0	240.31	BF	2.619	0	Anodyne	ref	BFAARN	Cc1cc(C)n(CCc2nc3ccccc3[nH]2)n1	 
Cc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1	ZINC000000459585	32/42/64/178324264	UAAULAKHYRANRB-UHFFFAOYSA-N	0	231.207	BF	2.976	0	Bother	ref	BFBARN	Cc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1	 
CCn1cc(CCCN)c2ccccc21	ZINC000003698510	15/78/84/172157884	GFVJNTLPYZWLHO-UHFFFAOYSA-N	1	202.301	BF	2.553	0	Anodyne	ref	BFABRO	CCn1cc(CCC[NH3+])c2ccccc21	 
O=C(O)c1csc(-c2ccsc2)n1	ZINC000004218334	59/37/13/182593713	JZSRMMAFRQYIHP-UHFFFAOYSA-N	-1	211.267	BF	2.57	0	Anodyne	ref	BFAARM	O=C([O-])c1csc(-c2ccsc2)n1	 
NCCc1nc(-c2ccc(Cl)cc2)cs1	ZINC000004226976	04/75/38/384047538	BWKAGQFZLFDPOW-UHFFFAOYSA-N	1	238.743	BF	2.965	0	Anodyne	ref	BFAARO	[NH3+]CCc1nc(-c2ccc(Cl)cc2)cs1	 
Cc1ccc(-c2csc(CCN)n2)cc1	ZINC000004475550	33/04/89/178330489	HXFLMFIMGWTIIU-UHFFFAOYSA-N	1	218.325	BF	2.62	0	Anodyne	ref	BFAARO	Cc1ccc(-c2csc(CC[NH3+])n2)cc1	 
Cn1nc(C(F)(F)F)cc1-c1ccccc1O	ZINC000004786712	91/46/86/383914686	BUIDTGUFPHMVPP-UHFFFAOYSA-N	0	242.2	BF	2.812	0	Anodyne	ref	BFAARN	Cn1nc(C(F)(F)F)cc1-c1ccccc1O	 
COC(=O)CCNc1ccc2ccccc2c1	ZINC000004840054	75/31/06/342753106	IYJRJGVMXNFKHL-UHFFFAOYSA-N	0	229.279	BF	2.815	0	Anodyne	ref	BFAARN	COC(=O)CCNc1ccc2ccccc2c1	 
Cc1[nH]c2ccc(C(F)(F)F)cc2c1CCN	ZINC000005697091	76/84/56/342768456	UQLAEPAZMQPMMC-UHFFFAOYSA-N	1	242.244	BF	2.996	0	Anodyne	ref	BFABRO	Cc1[nH]c2ccc(C(F)(F)F)cc2c1CC[NH3+]	 
COC(=O)CCNc1cccc2ccccc12	ZINC000007499992	79/17/67/342791767	CXNYTJOBIQYVJJ-UHFFFAOYSA-N	0	229.279	BF	2.815	0	Anodyne	ref	BFAARN	COC(=O)CCNc1cccc2ccccc12	 
CC(=O)/C(Cl)=N\Nc1ccc(Cl)cc1	ZINC000008385654	20/26/17/384202617	RJHCGGWBOWGPJS-UKTHLTGXSA-N	0	231.082	BF	2.893	0	Mild	ref	BFEARN	CC(=O)C(Cl)=NNc1ccc(Cl)cc1	 
CC(=O)/C(Cl)=N\Nc1ccc(C)cc1	ZINC000008385656	29/69/22/346296922	SZUGRZADBSQNJK-JLHYYAGUSA-N	0	210.664	BF	2.548	0	Mild	ref	BFEBRN	CC(=O)C(Cl)=NNc1ccc(C)cc1	 
CCn1c(-c2ccc(Cl)cc2)cnc1N	ZINC000022130282	13/08/85/172130885	GKEVITJVOSSUBH-UHFFFAOYSA-N	0	221.691	BF	2.806	3	Anodyne	high	BFABHN	CCn1c(-c2ccc(Cl)cc2)cnc1N	 
CCn1c(-c2ccc(Cl)cc2)cnc1N	ZINC000022130282	13/08/82/172130882	GKEVITJVOSSUBH-UHFFFAOYSA-N	1	221.691	BF	2.806	0	Anodyne	ref	BFABRO	CCn1c(-c2ccc(Cl)cc2)c[nH+]c1N	 
Cc1cc(C)c2c3ccccc3n(CCN)c2n1	ZINC000022130372	73/62/84/384736284	FZSNCGMUVMMCDG-UHFFFAOYSA-N	1	239.322	BF	2.765	0	Anodyne	ref	BFABRO	Cc1cc(C)c2c3ccccc3n(CC[NH3+])c2n1	 
CCn1cc(CC[C@@H](C)N)c2ccccc21	ZINC000024542482	15/96/36/172159636	WBIAWGCLWLVGPT-LLVKDONJSA-N	1	216.328	BF	2.941	0	Anodyne	ref	BFAARO	CCn1cc(CC[C@@H](C)[NH3+])c2ccccc21	 
CCn1cc(CC[C@H](C)N)c2ccccc21	ZINC000024542485	15/96/85/172159685	WBIAWGCLWLVGPT-NSHDSACASA-N	1	216.328	BF	2.941	0	Anodyne	ref	BFAARO	CCn1cc(CC[C@H](C)[NH3+])c2ccccc21	 
O=C1CC[C@@H]2Cc3ccccc3C[C@@H]2C1	ZINC000033373298	25/25/77/343252577	JVCBMLACFZUPKJ-CHWSQXEVSA-N	0	200.281	BF	2.771	0	Anodyne	ref	BFABRN	O=C1CC[C@@H]2Cc3ccccc3C[C@@H]2C1	 
O=C1CC[C@H]2Cc3ccccc3C[C@@H]2C1	ZINC000033373299	25/25/06/343252506	JVCBMLACFZUPKJ-QWHCGFSZSA-N	0	200.281	BF	2.771	0	Anodyne	ref	BFABRN	O=C1CC[C@H]2Cc3ccccc3C[C@@H]2C1	 
O=C1CC[C@@H]2Cc3ccccc3C[C@H]2C1	ZINC000033373300	25/26/88/343252688	JVCBMLACFZUPKJ-OLZOCXBDSA-N	0	200.281	BF	2.771	0	Anodyne	ref	BFABRN	O=C1CC[C@@H]2Cc3ccccc3C[C@H]2C1	 
O=C1CC[C@H]2Cc3ccccc3C[C@H]2C1	ZINC000033373301	25/25/47/343252547	JVCBMLACFZUPKJ-STQMWFEESA-N	0	200.281	BF	2.771	0	Anodyne	ref	BFABRN	O=C1CC[C@H]2Cc3ccccc3C[C@H]2C1	 
CCC1(CC)C(=O)N=C(Cl)N=C1Cl	ZINC000033413846	23/04/41/385230441	HFTVUEQLLKNPSA-UHFFFAOYSA-N	0	221.087	BF	2.565	0	Anodyne	ref	BFABRN	CCC1(CC)C(=O)N=C(Cl)N=C1Cl	 
FC1(F)Oc2cc3nc(Cl)[nH]c3cc2O1	ZINC000034566883	95/08/56/346950856	KWEWTSREBGKLDA-UHFFFAOYSA-N	0	232.573	BF	2.538	0	Anodyne	ref	BFAARN	FC1(F)Oc2cc3nc(Cl)[nH]c3cc2O1	 
CC(=O)/C(Cl)=N\Nc1cccc(Cl)c1	ZINC000095686607	38/79/85/384387985	DRQRXNVIADUUCG-UKTHLTGXSA-N	0	231.082	BF	2.893	0	Mild	ref	BFEBRN	CC(=O)C(Cl)=NNc1cccc(Cl)c1	 
CCOC(=O)/C(Cl)=N\Nc1ccc(C)cc1	ZINC000095696955	18/27/35/170182735	IZJHYJDZIJLTOD-GXDHUFHOSA-N	0	240.69	BF	2.522	0	Mild	ref	BFEARN	CCOC(=O)C(Cl)=NNc1ccc(C)cc1	 
Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1	ZINC000100003183	37/16/59/178371659	WRZMHTIRFOFFPY-UHFFFAOYSA-N	-1	230.185	BF	2.699	0	Anodyne	ref	BFAARM	Cc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1	in-vitro
O=C(CC(=O)C(F)(F)F)c1ccc(F)cc1	ZINC000100013982	60/88/27/384608827	KEZLARPKXOHKJS-UHFFFAOYSA-N	-1	234.148	BF	2.53	0	Anodyne	ref	BFAARM	O=C(C=C([O-])c1ccc(F)cc1)C(F)(F)F	 
O=C(/C=C/c1cccs1)CC(=O)C(F)(F)F	ZINC000100054909	61/28/20/384612820	PTSWPTBHUGSXSK-ONEGZZNKSA-N	-1	248.225	BF	2.852	3	Mild	high	BFEAHM	O=C(C=C([O-])C=Cc1cccs1)C(F)(F)F	 
O=C(/C=C/c1cccs1)CC(=O)C(F)(F)F	ZINC000100054909	61/28/11/384612811	PTSWPTBHUGSXSK-ONEGZZNKSA-N	0	248.225	BF	2.852	0	Mild	ref	BFEARN	O=C(C=C(O)C=Cc1cccs1)C(F)(F)F	 
O=C(/C=C/c1cccs1)CC(=O)C(F)F	ZINC000100316302	63/40/51/384634051	TWKGUONFUKNOOM-ONEGZZNKSA-N	-1	230.235	BF	2.555	3	Mild	high	BFEBHM	O=C(C=C([O-])C=Cc1cccs1)C(F)F	 
O=C(/C=C/c1cccs1)CC(=O)C(F)F	ZINC000100316302	63/40/44/384634044	TWKGUONFUKNOOM-ONEGZZNKSA-N	0	230.235	BF	2.555	0	Mild	ref	BFEBRN	O=C(C=C(O)C=Cc1cccs1)C(F)F	 
O=C(CC(=O)C(F)(F)C(F)F)c1ccccc1	ZINC000100316388	63/40/57/384634057	OEYWESDBUIZFEW-UHFFFAOYSA-N	-1	248.175	BF	2.729	0	Anodyne	ref	BFABRM	O=C(C=C([O-])c1ccccc1)C(F)(F)C(F)F	 
O=C1c2ccccc2CC[C@@H]1C(=O)C(F)(F)F	ZINC000100404398	84/53/90/182845390	GGDMEHMCEGBLBB-VIFPVBQESA-N	-1	242.196	BF	2.563	0	Anodyne	ref	BFABRM	O=C(C1=C([O-])c2ccccc2CC1)C(F)(F)F	 
O=C1c2ccccc2CC[C@H]1C(=O)C(F)(F)F	ZINC000100404402	63/97/76/384639776	GGDMEHMCEGBLBB-SECBINFHSA-N	-1	242.196	BF	2.563	0	Anodyne	ref	BFABRM	O=C(C1=C([O-])c2ccccc2CC1)C(F)(F)F	 
CCc1ccc(C(=O)CC(=O)C(F)(F)F)cc1	ZINC000100404417	78/29/40/171782940	KDDQMNMAUZHOMD-UHFFFAOYSA-N	-1	244.212	BF	2.953	0	Anodyne	ref	BFAARM	CCc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1	 
CC1=S=C(N2CCCCC2)SC1=S	ZINC000408715110	44/71/17/133447117	KOLGLIRKOIDCDG-UHFFFAOYSA-N	0	231.411	BF	2.559	0	Clean	ref	BFCBRN	CC1=S=C(N2CCCCC2)SC1=S