Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	ZINC000000000641	61/40/59/359614059	IWVRVEIKCBFZNF-ZDUSSCGKSA-N	0	226.323	BF	2.93	3	Anodyne	high	BFAAHN	Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	world
Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	ZINC000000000641	61/40/55/359614055	IWVRVEIKCBFZNF-ZDUSSCGKSA-N	1	226.323	BF	2.93	0	Anodyne	ref	BFAARO	Cc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1	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
CCN(CC)CC(=O)Nc1c(C)cccc1C	ZINC000000020237	08/37/31/491083731	NNJVILVZKWQKPM-UHFFFAOYSA-N	0	234.343	BF	2.584	1	Anodyne	mid	BFAAMN	CCN(CC)CC(=O)Nc1c(C)cccc1C	fda
CCN(CC)CC(=O)Nc1c(C)cccc1C	ZINC000000020237	08/37/29/491083729	NNJVILVZKWQKPM-UHFFFAOYSA-N	1	234.343	BF	2.584	0	Anodyne	ref	BFAARO	CC[NH+](CC)CC(=O)Nc1c(C)cccc1C	fda
COc1cc(C=O)ccc1OCCC(C)C	ZINC000000035877	67/06/38/342670638	QMAVUZPWNRBYAO-UHFFFAOYSA-N	0	222.284	BF	2.933	0	Anodyne	ref	BFAARN	COc1cc(C=O)ccc1OCCC(C)C	 
Cc1ccc(C(C)C)c(OCC(=O)O)c1	ZINC000000038390	45/18/96/178451896	MURZAHIYMVFXCF-UHFFFAOYSA-N	-1	208.257	BF	2.582	0	Anodyne	ref	BFAARM	Cc1ccc(C(C)C)c(OCC(=O)[O-])c1	 
C[C@H](NC(=O)c1cccc(N)c1)c1ccccc1	ZINC000000041953	18/31/81/518183181	ZNBFXLWERBRCIT-NSHDSACASA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@H](NC(=O)c1cccc(N)c1)c1ccccc1	 
C[C@@H](NC(=O)c1cccc(N)c1)c1ccccc1	ZINC000000041954	84/95/30/175849530	ZNBFXLWERBRCIT-LLVKDONJSA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@@H](NC(=O)c1cccc(N)c1)c1ccccc1	 
O=C(O)CCC(=O)Nc1cccc2ccccc12	ZINC000000050811	81/92/18/383819218	FXJMMPAVUBUMAD-UHFFFAOYSA-N	-1	243.262	BF	2.643	0	Anodyne	ref	BFAARM	O=C([O-])CCC(=O)Nc1cccc2ccccc12	 
OCc1ccccc1CNc1ccc(F)cc1	ZINC000000054712	67/15/04/342671504	OXUUYYCYGDOZCD-UHFFFAOYSA-N	0	231.27	BF	2.93	0	Anodyne	ref	BFAARN	OCc1ccccc1CNc1ccc(F)cc1	 
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O	ZINC000000056613	02/23/13/177022313	MZHCENGPTKEIGP-YFKPBYRVSA-N	-1	235.066	BF	2.845	0	Anodyne	ref	BFAARM	C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	in-vitro
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O	ZINC000000056614	00/38/36/176003836	MZHCENGPTKEIGP-RXMQYKEDSA-N	-1	235.066	BF	2.845	0	Anodyne	ref	BFAARM	C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	in-vitro
OCc1ccccc1CNC1CCCCC1	ZINC000000064936	67/23/61/342672361	GECMHKWBEHHGMQ-UHFFFAOYSA-N	1	219.328	BF	2.601	0	Anodyne	ref	BFAARO	OCc1ccccc1C[NH2+]C1CCCCC1	 
Oc1ccc(Br)cc1Cl	ZINC000000064966	26/69/94/183266994	VIBJPUXLAKVICD-UHFFFAOYSA-N	-1	207.454	BF	2.808	1	Anodyne	mid	BFAAMM	[O-]c1ccc(Br)cc1Cl	in-vitro
Oc1ccc(Br)cc1Cl	ZINC000000064966	26/69/91/183266991	VIBJPUXLAKVICD-UHFFFAOYSA-N	0	207.454	BF	2.808	0	Anodyne	ref	BFAARN	Oc1ccc(Br)cc1Cl	in-vitro
COc1ccc([C@H](C#N)C(C)C)cc1OC	ZINC000000082538	24/46/55/187244655	NFXAXMOAVPLEBH-LLVKDONJSA-N	0	219.284	BF	2.967	0	Mild	ref	BFEARN	COc1ccc([C@H](C#N)C(C)C)cc1OC	 
COc1ccc([C@@H](C#N)C(C)C)cc1OC	ZINC000000082541	27/24/91/188272491	NFXAXMOAVPLEBH-NSHDSACASA-N	0	219.284	BF	2.967	0	Mild	ref	BFEARN	COc1ccc([C@@H](C#N)C(C)C)cc1OC	 
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	 
Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000000105284	82/69/87/383826987	NZRHOWNFGASHMN-UHFFFAOYSA-N	0	248.289	BF	2.788	0	Anodyne	ref	BFAARN	Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	 
O=C(O)COc1ccc(-c2ccccc2)cc1	ZINC000000116651	82/94/53/383829453	UEXMWDXKHUIBSJ-UHFFFAOYSA-N	-1	228.247	BF	2.817	0	Anodyne	ref	BFAARM	O=C([O-])COc1ccc(-c2ccccc2)cc1	 
Nc1cccc(NC(=O)c2ccccc2)c1	ZINC000000123066	67/57/32/342675732	IRFCTHNJIWUUJZ-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Anodyne	ref	BFAARN	Nc1cccc(NC(=O)c2ccccc2)c1	 
Nc1ccc(NC(=O)c2ccccc2)cc1	ZINC000000123070	67/56/74/342675674	GTTFJYUWPUKXJH-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Clean	ref	BFCARN	Nc1ccc(NC(=O)c2ccccc2)cc1	in-vitro
C[C@H](NC(=O)c1ccccc1N)c1ccccc1	ZINC000000150133	83/31/71/383833171	KBRHMOXICLSVTL-NSHDSACASA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@H](NC(=O)c1ccccc1N)c1ccccc1	 
C[C@@H](NC(=O)c1ccccc1N)c1ccccc1	ZINC000000150134	85/06/70/175850670	KBRHMOXICLSVTL-LLVKDONJSA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@@H](NC(=O)c1ccccc1N)c1ccccc1	 
Cc1cccc(C(=O)Nc2ccc(N)cc2)c1	ZINC000000156716	67/80/56/342678056	HZZTVMGUTMBMPG-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Clean	ref	BFCARN	Cc1cccc(C(=O)Nc2ccc(N)cc2)c1	 
O=C(CBr)c1ccc(Cl)cc1	ZINC000000159769	17/75/07/560177507	FLAYZKKEOIAALB-UHFFFAOYSA-N	0	233.492	BF	2.918	0	Reactive	ref	BFGARN	O=C(CBr)c1ccc(Cl)cc1	in-vitro
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
O=C(O)c1cc(C2CC2)nc2ccccc12	ZINC000000195179	67/97/20/342679720	HYOFXKNWXLKLSH-UHFFFAOYSA-N	-1	213.236	BF	2.81	0	Anodyne	ref	BFAARM	O=C([O-])c1cc(C2CC2)nc2ccccc12	 
CN(C(=O)c1cccc(N)c1)c1ccccc1	ZINC000000225994	34/25/32/172342532	PKOVFFWYXWEFSN-UHFFFAOYSA-N	0	226.279	BF	2.545	0	Anodyne	ref	BFAARN	CN(C(=O)c1cccc(N)c1)c1ccccc1	 
CN(C(=O)c1ccc(N)cc1)c1ccccc1	ZINC000000225995	34/03/64/172340364	CRHKLAPXNLGNBS-UHFFFAOYSA-N	0	226.279	BF	2.545	0	Anodyne	ref	BFAARN	CN(C(=O)c1ccc(N)cc1)c1ccccc1	 
Cc1cccc(NC(=O)c2cccc(N)c2)c1	ZINC000000236122	27/21/29/188272129	WWPARZLQFZGMBB-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Anodyne	ref	BFAARN	Cc1cccc(NC(=O)c2cccc(N)c2)c1	 
O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl	ZINC000000240941	68/11/22/342681122	UGNWTBMOAKPKBL-UHFFFAOYSA-N	0	245.876	BF	2.517	0	Mild	ref	BFEARN	O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl	in-vivo
Cc1cc(N)ccc1NC(=O)c1ccccc1	ZINC000000259730	10/49/78/178104978	NBDOSEUNJLCDLN-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Anodyne	ref	BFAARN	Cc1cc(N)ccc1NC(=O)c1ccccc1	 
Nc1cccc(C(=O)Nc2ccccc2)c1	ZINC000000291001	74/26/12/181742612	KPSPULPPMWHXGE-UHFFFAOYSA-N	0	212.252	BF	2.521	0	Anodyne	ref	BFAARN	Nc1cccc(C(=O)Nc2ccccc2)c1	 
CC(C)CCOc1ccc(C(=O)O)cc1	ZINC000000292088	85/20/32/383852032	YNYYRDUFMDDJMV-UHFFFAOYSA-N	-1	208.257	BF	2.81	0	Anodyne	ref	BFAARM	CC(C)CCOc1ccc(C(=O)[O-])cc1	 
O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000000300832	68/21/22/344682122	TXZVRLLCMSPNOH-UHFFFAOYSA-N	-1	236.01	BF	2.6	0	Bother	ref	BFBARM	O=C([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl	 
Cc1ccccc1C(=O)Nc1ccc(N)cc1	ZINC000000306525	25/26/02/179252602	FIIPAURDZWJJIB-UHFFFAOYSA-N	0	226.279	BF	2.83	0	Clean	ref	BFCARN	Cc1ccccc1C(=O)Nc1ccc(N)cc1	 
CN(C(=O)c1ccc(N)cc1)C1CCCCC1	ZINC000000335307	34/03/55/172340355	VBQURISEJZGIJF-UHFFFAOYSA-N	0	232.327	BF	2.674	0	Anodyne	ref	BFAARN	CN(C(=O)c1ccc(N)cc1)C1CCCCC1	 
Cc1cc(O)cc(C)c1Br	ZINC000000339095	27/31/41/188273141	WMUWDPLTTLJNPE-UHFFFAOYSA-N	0	201.063	BF	2.772	0	Anodyne	ref	BFAARN	Cc1cc(O)cc(C)c1Br	 
Cc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1	ZINC000000347886	62/08/45/359620845	IWVRVEIKCBFZNF-CYBMUJFWSA-N	0	226.323	BF	2.93	3	Anodyne	high	BFAAHN	Cc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1	world
Cc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1	ZINC000000347886	62/08/40/359620840	IWVRVEIKCBFZNF-CYBMUJFWSA-N	1	226.323	BF	2.93	0	Anodyne	ref	BFAARO	Cc1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1	world
OCc1ccccc1CN1CCCCCC1	ZINC000000357504	68/47/00/342684700	JWNZOERCZGLXGZ-UHFFFAOYSA-N	1	219.328	BF	2.555	0	Anodyne	ref	BFAARO	OCc1ccccc1C[NH+]1CCCCCC1	 
CC[C@@H](C)c1ccccc1OCC(=O)O	ZINC000000359096	86/03/80/383860380	JHXIYIRARDDHJU-SECBINFHSA-N	-1	208.257	BF	2.663	0	Anodyne	ref	BFAARM	CC[C@@H](C)c1ccccc1OCC(=O)[O-]	 
CC[C@H](C)c1ccccc1OCC(=O)O	ZINC000000359098	85/93/13/383859313	JHXIYIRARDDHJU-VIFPVBQESA-N	-1	208.257	BF	2.663	0	Anodyne	ref	BFAARM	CC[C@H](C)c1ccccc1OCC(=O)[O-]	 
Nc1cc(Cl)ccc1N1CCCCC1	ZINC000000359419	31/35/66/132313566	BFOQYOCNAFPILH-UHFFFAOYSA-N	0	210.708	BF	2.913	0	Anodyne	ref	BFAARN	Nc1cc(Cl)ccc1N1CCCCC1	 
CN(C(=O)c1ccccc1N)C1CCCCC1	ZINC000000377017	34/29/21/172342921	HRHAAZQULBGFAE-UHFFFAOYSA-N	0	232.327	BF	2.674	0	Anodyne	ref	BFAARN	CN(C(=O)c1ccccc1N)C1CCCCC1	 
Cc1cc(Br)cc(C)c1O	ZINC000000389687	68/58/68/342685868	ZLVFYUORUHNMBO-UHFFFAOYSA-N	0	201.063	BF	2.772	0	Anodyne	ref	BFAARN	Cc1cc(Br)cc(C)c1O	 
CC(C)(C)OC(=O)Nc1ccc(O)cc1	ZINC000000392725	68/61/18/342686118	YRQMBQUMJFVZLF-UHFFFAOYSA-N	0	209.245	BF	2.739	0	Anodyne	ref	BFAARN	CC(C)(C)OC(=O)Nc1ccc(O)cc1	 
O=C(OCCc1ccccc1)c1ccccc1O	ZINC000000397608	68/64/37/342686437	YNMSDIQQNIRGDP-UHFFFAOYSA-N	0	242.274	BF	2.792	0	Anodyne	ref	BFAARN	O=C(OCCc1ccccc1)c1ccccc1O	in-man endogenous
CCOC(=O)c1c(C)[nH]c2ccccc12	ZINC000000403323	28/74/04/170287404	ICXKIKDXKRONLF-UHFFFAOYSA-N	0	203.241	BF	2.653	0	Anodyne	ref	BFAARN	CCOC(=O)c1c(C)[nH]c2ccccc12	 
Oc1ccc(Cl)cc1Br	ZINC000000404310	27/39/64/183273964	ZIYRDJLAJYTELF-UHFFFAOYSA-N	-1	207.454	BF	2.808	1	Anodyne	mid	BFAAMM	[O-]c1ccc(Cl)cc1Br	in-vitro
Oc1ccc(Cl)cc1Br	ZINC000000404310	27/39/62/183273962	ZIYRDJLAJYTELF-UHFFFAOYSA-N	0	207.454	BF	2.808	0	Anodyne	ref	BFAARN	Oc1ccc(Cl)cc1Br	in-vitro
COc1c(Cl)cc(C=O)cc1Cl	ZINC000000454532	68/78/76/342687876	LEEKELDJRCUBEM-UHFFFAOYSA-N	0	205.04	BF	2.815	0	Anodyne	ref	BFAARN	COc1c(Cl)cc(C=O)cc1Cl	 
CCCC(=O)Nc1ccc(Cl)c(N)c1	ZINC000000467288	68/82/58/342688258	JKCHAPLJTLRQCQ-UHFFFAOYSA-N	0	212.68	BF	2.661	0	Anodyne	ref	BFAARN	CCCC(=O)Nc1ccc(Cl)c(N)c1	 
CNc1ccccc1C(=O)NCc1ccccc1	ZINC000000556149	87/46/97/383874697	ZZBQSMGHRZEZIB-UHFFFAOYSA-N	0	240.306	BF	2.658	0	Anodyne	ref	BFAARN	CNc1ccccc1C(=O)NCc1ccccc1	 
CC[C@@H](C)c1ccc(OCC(=O)O)cc1	ZINC000000568657	87/51/71/383875171	AMFQZVLREQJRQU-SECBINFHSA-N	-1	208.257	BF	2.663	0	Anodyne	ref	BFAARM	CC[C@@H](C)c1ccc(OCC(=O)[O-])cc1	 
CC[C@H](C)c1ccc(OCC(=O)O)cc1	ZINC000000568658	87/54/16/383875416	AMFQZVLREQJRQU-VIFPVBQESA-N	-1	208.257	BF	2.663	0	Anodyne	ref	BFAARM	CC[C@H](C)c1ccc(OCC(=O)[O-])cc1	 
O=C(O)c1cc(-c2ccc(Cl)cc2)on1	ZINC000000874633	54/96/31/182549631	CRTZVRLESCICCT-UHFFFAOYSA-N	-1	223.615	BF	2.693	0	Anodyne	ref	BFAARM	O=C([O-])c1cc(-c2ccc(Cl)cc2)on1	 
OC1=NC2(CCCC2)Nc2ccccc21	ZINC000001004789	02/40/90/183024090	BGYVTOPASJGSEB-UHFFFAOYSA-N	0	202.257	BF	2.687	0	Anodyne	ref	BFAARN	O=C1NC2(CCCC2)Nc2ccccc21	 
Cc1ccc([N+](=O)[O-])cc1Br	ZINC000001081254	93/22/99/178932299	XFZFJQHXWJIBQV-UHFFFAOYSA-N	0	216.034	BF	2.666	0	Bother	ref	BFBARN	Cc1ccc([N+](=O)[O-])cc1Br	 
C[C@H](NC(=O)c1ccc(N)cc1)c1ccccc1	ZINC000001438788	90/01/05/383900105	LRMURALCBANCSV-NSHDSACASA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@H](NC(=O)c1ccc(N)cc1)c1ccccc1	 
C[C@@H](NC(=O)c1ccc(N)cc1)c1ccccc1	ZINC000001438789	84/87/13/175848713	LRMURALCBANCSV-LLVKDONJSA-N	0	240.306	BF	2.76	0	Anodyne	ref	BFAARN	C[C@@H](NC(=O)c1ccc(N)cc1)c1ccccc1	 
O=C(O)COc1ccccc1-c1ccccc1	ZINC000001448462	89/92/56/383899256	MAKUMOXHJKKTDP-UHFFFAOYSA-N	-1	228.247	BF	2.817	0	Anodyne	ref	BFAARM	O=C([O-])COc1ccccc1-c1ccccc1	 
CC(C)c1ccc(O[C@@H](C)C(=O)O)cc1	ZINC000001459490	70/14/08/342701408	JQGMFMWLOKZVBQ-VIFPVBQESA-N	-1	208.257	BF	2.662	0	Anodyne	ref	BFAARM	CC(C)c1ccc(O[C@@H](C)C(=O)[O-])cc1	 
CC(C)c1ccc(O[C@H](C)C(=O)O)cc1	ZINC000001459491	61/15/21/167611521	JQGMFMWLOKZVBQ-SECBINFHSA-N	-1	208.257	BF	2.662	0	Anodyne	ref	BFAARM	CC(C)c1ccc(O[C@H](C)C(=O)[O-])cc1	 
COc1c(Cl)cc(Cl)cc1C=O	ZINC000001512522	70/21/43/342702143	OYKSTJSVNQYCRE-UHFFFAOYSA-N	0	205.04	BF	2.815	0	Anodyne	ref	BFAARN	COc1c(Cl)cc(Cl)cc1C=O	 
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O	ZINC000001690231	00/38/62/176003862	DMJZZNRMJJGRNF-SECBINFHSA-N	-1	222.284	BF	2.836	0	Anodyne	ref	BFAARM	C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	 
CCCCCOc1ccc(C(=O)O)cc1	ZINC000001696794	70/96/94/342709694	OZPPUPJQRJYTNY-UHFFFAOYSA-N	-1	208.257	BF	2.954	0	Anodyne	ref	BFAARM	CCCCCOc1ccc(C(=O)[O-])cc1	 
O=C(O)c1cccc(OCc2ccccc2)c1	ZINC000001748751	71/21/10/342712110	CISXCTKEQYOZAM-UHFFFAOYSA-N	-1	228.247	BF	2.964	0	Anodyne	ref	BFAARM	O=C([O-])c1cccc(OCc2ccccc2)c1	 
Nc1cccc(OCCc2ccccc2)c1	ZINC000001749516	71/20/94/342712094	ATANNAJKSFDCGR-UHFFFAOYSA-N	0	213.28	BF	2.89	0	Anodyne	ref	BFAARN	Nc1cccc(OCCc2ccccc2)c1	 
CC(C)(C)OC(=O)Nc1cccc(O)c1	ZINC000001756387	71/22/76/342712276	HJQNVUQTARSZDK-UHFFFAOYSA-N	0	209.245	BF	2.739	0	Anodyne	ref	BFAARN	CC(C)(C)OC(=O)Nc1cccc(O)c1	 
COP(=O)(OC)OC=C(Cl)Cl	ZINC000001853865	71/31/52/342713152	OEBRKCOSUFCWJD-UHFFFAOYSA-N	0	220.976	BF	2.68	0	Anodyne	ref	BFAARN	COP(=O)(OC)OC=C(Cl)Cl	in-man endogenous
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O	ZINC000002044160	02/26/86/177022686	DMJZZNRMJJGRNF-VIFPVBQESA-N	-1	222.284	BF	2.836	0	Anodyne	ref	BFAARM	C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-]	 
Nc1cccc(OCCOc2ccccc2)c1	ZINC000002165097	71/65/59/342716559	CNHROMZTZVDFGK-UHFFFAOYSA-N	0	229.279	BF	2.727	0	Anodyne	ref	BFAARN	Nc1cccc(OCCOc2ccccc2)c1	 
Nc1ccc(OCCOc2ccccc2)cc1	ZINC000002165121	71/64/78/342716478	AEUZGHQIEXOKBD-UHFFFAOYSA-N	0	229.279	BF	2.727	0	Clean	ref	BFCARN	Nc1ccc(OCCOc2ccccc2)cc1	 
O=C(O)c1ccccc1OCc1ccccc1	ZINC000002169206	58/23/60/182582360	GMOYUTKNPLBTMT-UHFFFAOYSA-N	-1	228.247	BF	2.964	0	Anodyne	ref	BFAARM	O=C([O-])c1ccccc1OCc1ccccc1	 
CCCCCCCCOC(=O)CC(C)=O	ZINC000002169595	71/65/53/342716553	IKYDDBGYKFPTGF-UHFFFAOYSA-N	0	214.305	BF	2.869	1	Mild	mid	BFEAMN	CCCCCCCCOC(=O)C=C(C)O	 
CCCCCCCCOC(=O)CC(C)=O	ZINC000002169595	71/65/52/342716552	IKYDDBGYKFPTGF-UHFFFAOYSA-N	0	214.305	BF	2.869	0	Mild	ref	BFEARN	CCCCCCCCOC(=O)CC(C)=O	 
CCCCOc1ccc(C=O)cc1OC	ZINC000002573374	72/49/91/342724991	VDQRSBASPLRAOM-UHFFFAOYSA-N	0	208.257	BF	2.687	0	Anodyne	ref	BFAARN	CCCCOc1ccc(C=O)cc1OC	 
CCOc1ccc(Br)cc1C(=O)O	ZINC000002584131	53/63/79/170536379	ZCFIATVCNUJMDP-UHFFFAOYSA-N	-1	245.072	BF	2.546	0	Anodyne	ref	BFAARM	CCOc1ccc(Br)cc1C(=O)[O-]	 
CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	ZINC000003399190	28/67/65/170286765	NSZWVSKVSFAGFP-UHFFFAOYSA-N	0	249.31	BF	2.655	0	Anodyne	ref	BFAARN	CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2	 
CCOC(=O)c1c(N)sc2c1CCCCC2	ZINC000003866064	28/91/35/170289135	XTUHIGALMIGZST-UHFFFAOYSA-N	0	239.34	BF	2.776	0	Anodyne	ref	BFAARN	CCOC(=O)c1c(N)sc2c1CCCCC2	 
Oc1ccccc1[C@@H]1CC(c2ccccc2)=NN1	ZINC000003866158	73/84/55/342738455	GXXCWDUSIIIOAY-AWEZNQCLSA-N	-1	238.29	BF	2.831	3	Clean	high	BFCAHM	[O-]c1ccccc1[C@@H]1CC(c2ccccc2)=NN1	 
Oc1ccccc1[C@@H]1CC(c2ccccc2)=NN1	ZINC000003866158	73/84/54/342738454	GXXCWDUSIIIOAY-AWEZNQCLSA-N	0	238.29	BF	2.831	0	Clean	ref	BFCARN	Oc1ccccc1[C@@H]1CC(c2ccccc2)=NN1	 
Oc1ccccc1[C@H]1CC(c2ccccc2)=NN1	ZINC000003866159	24/65/79/187246579	GXXCWDUSIIIOAY-CQSZACIVSA-N	-1	238.29	BF	2.831	3	Clean	high	BFCAHM	[O-]c1ccccc1[C@H]1CC(c2ccccc2)=NN1	 
Oc1ccccc1[C@H]1CC(c2ccccc2)=NN1	ZINC000003866159	24/65/77/187246577	GXXCWDUSIIIOAY-CQSZACIVSA-N	0	238.29	BF	2.831	0	Clean	ref	BFCARN	Oc1ccccc1[C@H]1CC(c2ccccc2)=NN1	 
O=[N+]([O-])c1ccc(N2CCCCC2)cc1	ZINC000003877772	31/56/99/132315699	SGPLAXFUDTWHRS-UHFFFAOYSA-N	0	206.245	BF	2.585	0	Bother	ref	BFBARN	O=[N+]([O-])c1ccc(N2CCCCC2)cc1	 
CNc1ccccc1C(=O)NC1CCCCC1	ZINC000004306902	05/38/12/384053812	GCAHJISFCQBDSB-UHFFFAOYSA-N	0	232.327	BF	2.791	0	Anodyne	ref	BFAARN	CNc1ccccc1C(=O)NC1CCCCC1	 
Nc1ccc(OCCc2ccccc2)cc1	ZINC000004599378	74/96/31/342749631	MMYXLHQQIXXGRR-UHFFFAOYSA-N	0	213.28	BF	2.89	0	Clean	ref	BFCARN	Nc1ccc(OCCc2ccccc2)cc1	 
CCN(C(=O)c1ccc(N)cc1)c1ccccc1	ZINC000004820772	75/25/63/342752563	CQVXDHAQPYPAEU-UHFFFAOYSA-N	0	240.306	BF	2.936	0	Anodyne	ref	BFAARN	CCN(C(=O)c1ccc(N)cc1)c1ccccc1	 
CCOc1ccc(C(=O)O)cc1Br	ZINC000004837916	53/85/82/170538582	XCKMWULLKHQZIP-UHFFFAOYSA-N	-1	245.072	BF	2.546	0	Anodyne	ref	BFAARM	CCOc1ccc(C(=O)[O-])cc1Br	 
CC(C)CCOc1cccc(C(=O)O)c1	ZINC000006883413	17/05/08/384170508	HOCWIVDRDZHCRS-UHFFFAOYSA-N	-1	208.257	BF	2.81	0	Anodyne	ref	BFAARM	CC(C)CCOc1cccc(C(=O)[O-])c1	 
CCCCCOc1ccccc1C(=O)O	ZINC000007261547	79/07/04/342790704	CNCMJNMYQXOHNN-UHFFFAOYSA-N	-1	208.257	BF	2.954	0	Anodyne	ref	BFAARM	CCCCCOc1ccccc1C(=O)[O-]	 
Nc1cccc(NC(=O)CCc2ccccc2)c1	ZINC000007468517	74/62/60/181746260	HVIXXESZUFTZMD-UHFFFAOYSA-N	0	240.306	BF	2.84	0	Anodyne	ref	BFAARN	Nc1cccc(NC(=O)CCc2ccccc2)c1	 
Nc1ccc(NC(=O)CCc2ccccc2)cc1	ZINC000007468519	79/15/19/342791519	JRYZMXKUHRMTJL-UHFFFAOYSA-N	0	240.306	BF	2.84	0	Clean	ref	BFCARN	Nc1ccc(NC(=O)CCc2ccccc2)cc1	 
Nc1cccc(C(=O)Nc2ccc(F)cc2)c1	ZINC000007468648	79/14/79/342791479	UQDXYYVYLAFUPG-UHFFFAOYSA-N	0	230.242	BF	2.66	0	Anodyne	ref	BFAARN	Nc1cccc(C(=O)Nc2ccc(F)cc2)c1	 
CCCCCC(=O)Nc1cccc(N)c1	ZINC000008703407	80/27/62/342802762	XPCCFWSCQQDMIB-UHFFFAOYSA-N	0	206.289	BF	2.788	0	Anodyne	ref	BFAARN	CCCCCC(=O)Nc1cccc(N)c1	 
Nc1cccc(NC(=O)C2CCCCC2)c1	ZINC000008703416	80/28/00/342802800	LUBKHQVZKMSXIE-UHFFFAOYSA-N	0	218.3	BF	2.788	0	Anodyne	ref	BFAARN	Nc1cccc(NC(=O)C2CCCCC2)c1	 
Cc1c(N)cccc1NC(=O)C(C)(C)C	ZINC000008703433	80/28/94/342802894	DZHGAIOKFWUKRV-UHFFFAOYSA-N	0	206.289	BF	2.562	0	Anodyne	ref	BFAARN	Cc1c(N)cccc1NC(=O)C(C)(C)C