Oc1ccc2ccccc2c1Br	ZINC000000001318	28/42/78/183284278	FQJZPYXGPYJJIH-UHFFFAOYSA-N	-1	223.069	BG	3.308	1	Anodyne	mid	BGAAMM	[O-]c1ccc2ccccc2c1Br	 
Oc1ccc2ccccc2c1Br	ZINC000000001318	28/42/75/183284275	FQJZPYXGPYJJIH-UHFFFAOYSA-N	0	223.069	BG	3.308	0	Anodyne	ref	BGAARN	Oc1ccc2ccccc2c1Br	 
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1	ZINC000000002647	24/43/15/187244315	HEFNNWSXXWATRW-JTQLQIEISA-N	-1	206.285	BG	3.073	0	Anodyne	ref	BGAARM	CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1	fda
COc1cc(C=O)ccc1OCc1ccccc1	ZINC000000035739	67/05/95/342670595	JSHLOPGSDZTEGQ-UHFFFAOYSA-N	0	242.274	BG	3.087	0	Anodyne	ref	BGAARN	COc1cc(C=O)ccc1OCc1ccccc1	in-vitro metabolite
Cc1ccc(C)c(NCc2ccccc2CO)c1	ZINC000000054757	82/19/37/383821937	YTXWAHSYKSUPAU-UHFFFAOYSA-N	0	241.334	BG	3.408	0	Anodyne	ref	BGAARN	Cc1ccc(C)c(NCc2ccccc2CO)c1	 
O=C(O)c1sc2ccccc2c1Cl	ZINC000000066959	59/85/90/182598590	HJTMIYKPPPYDRJ-UHFFFAOYSA-N	-1	212.657	BG	3.253	0	Anodyne	ref	BGAARM	O=C([O-])c1sc2ccccc2c1Cl	 
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1	ZINC000000105216	22/45/21/175224521	CMWTZPSULFXXJA-VIFPVBQESA-N	-1	230.263	BG	3.037	0	Anodyne	ref	BGAARM	COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1	fda
N#Cc1c(-n2cccc2)sc2c1CCCC2	ZINC000000110979	07/30/36/181073036	ILTJBWKQAIWNLU-UHFFFAOYSA-N	0	228.32	BG	3.289	0	Mild	ref	BGEARN	N#Cc1c(-n2cccc2)sc2c1CCCC2	 
c1ccc(Cc2nc3ccccc3[nH]2)cc1	ZINC000000113392	52/76/01/384527601	YTLQFZVCLXFFRK-UHFFFAOYSA-N	1	208.264	BG	3.154	2	Anodyne	low	BGAALO	c1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1	in-man
c1ccc(Cc2nc3ccccc3[nH]2)cc1	ZINC000000113392	52/75/88/384527588	YTLQFZVCLXFFRK-UHFFFAOYSA-N	0	208.264	BG	3.154	0	Anodyne	ref	BGAARN	c1ccc(Cc2nc3ccccc3[nH]2)cc1	in-man
CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1	ZINC000000113398	82/73/87/383827387	HEFNNWSXXWATRW-SNVBAGLBSA-N	-1	206.285	BG	3.073	0	Anodyne	ref	BGAARM	CC(C)Cc1ccc([C@@H](C)C(=O)[O-])cc1	fda
CCOC(=O)c1c(-c2ccccc2)csc1N	ZINC000000117489	28/73/69/170287369	WYTHTMKMOSPACP-UHFFFAOYSA-N	0	247.319	BG	3.174	0	Anodyne	ref	BGAARN	CCOC(=O)c1c(-c2ccccc2)csc1N	in-vitro
Nc1cccc(NC(=O)c2cccc(Cl)c2)c1	ZINC000000123078	74/60/78/181746078	KGAYYFPEUVSJQJ-UHFFFAOYSA-N	0	246.697	BG	3.175	0	Anodyne	ref	BGAARN	Nc1cccc(NC(=O)c2cccc(Cl)c2)c1	 
Cc1ccc2c(c1)c1c3c(nccn32)CCC1	ZINC000000131451	95/90/60/178959060	ZHTWYYQXWNZIMN-UHFFFAOYSA-N	0	222.291	BG	3.285	0	Anodyne	ref	BGAARN	Cc1ccc2c(c1)c1c3c(nccn32)CCC1	 
Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1	ZINC000000143001	67/69/93/342676993	PCTFHCZRFZZANY-UHFFFAOYSA-N	0	246.697	BG	3.175	0	Anodyne	ref	BGAARN	Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1	 
O=C(O)c1ccccc1Nc1ccccc1	ZINC000000154642	67/77/81/342677781	ZWJINEZUASEZBH-UHFFFAOYSA-N	-1	213.236	BG	3.128	0	Anodyne	ref	BGAARM	O=C([O-])c1ccccc1Nc1ccccc1	in-vitro
Nc1cccc(NC(=O)c2ccccc2Cl)c1	ZINC000000155549	67/75/87/342677587	WMERABJBWHLIKQ-UHFFFAOYSA-N	0	246.697	BG	3.175	0	Anodyne	ref	BGAARN	Nc1cccc(NC(=O)c2ccccc2Cl)c1	 
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O	ZINC000000241544	00/40/22/176004022	FUPGQEMJIGUBGO-LLVKDONJSA-N	-1	242.274	BG	3.206	0	Anodyne	ref	BGAARM	C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-]	 
O=C(c1ccc(Cl)cc1)c1ccco1	ZINC000000319089	68/32/85/342683285	QIYZYIJVBGPXKW-UHFFFAOYSA-N	0	206.628	BG	3.164	0	Anodyne	ref	BGAARN	O=C(c1ccc(Cl)cc1)c1ccco1	 
O=Cc1cccc(OCc2ccccc2)c1	ZINC000001081250	88/77/51/383887751	JAICGBJIBWDEIZ-UHFFFAOYSA-N	0	212.248	BG	3.078	0	Anodyne	ref	BGAARN	O=Cc1cccc(OCc2ccccc2)c1	 
O=C(O)c1ccc(OCCc2ccccc2)cc1	ZINC000001609672	57/11/63/182571163	FRQLEOHJRISXFC-UHFFFAOYSA-N	-1	242.274	BG	3.006	0	Anodyne	ref	BGAARM	O=C([O-])c1ccc(OCCc2ccccc2)cc1	 
CC(C)(C)c1ccc(O)c(Br)c1	ZINC000001640858	27/44/45/188274445	FFRLMQPMGIMHHQ-UHFFFAOYSA-N	-1	229.117	BG	3.452	3	Anodyne	high	BGAAHM	CC(C)(C)c1ccc([O-])c(Br)c1	 
CC(C)(C)c1ccc(O)c(Br)c1	ZINC000001640858	27/44/43/188274443	FFRLMQPMGIMHHQ-UHFFFAOYSA-N	0	229.117	BG	3.452	0	Anodyne	ref	BGAARN	CC(C)(C)c1ccc(O)c(Br)c1	 
CCCCCCOc1ccc(C(=O)O)cc1	ZINC000001646613	70/70/36/342707036	HBQUXMZZODHFMJ-UHFFFAOYSA-N	-1	222.284	BG	3.344	0	Anodyne	ref	BGAARM	CCCCCCOc1ccc(C(=O)[O-])cc1	 
Oc1c(Cl)cc(Cl)cc1Br	ZINC000001657278	91/72/20/383917220	FRPHJINKMDMSPH-UHFFFAOYSA-N	0	241.899	BG	3.462	2	Anodyne	low	BGAALN	Oc1c(Cl)cc(Cl)cc1Br	 
Oc1c(Cl)cc(Cl)cc1Br	ZINC000001657278	91/71/88/383917188	FRPHJINKMDMSPH-UHFFFAOYSA-N	-1	241.899	BG	3.462	0	Anodyne	ref	BGAARM	[O-]c1c(Cl)cc(Cl)cc1Br	 
O=C(O)c1ccc(OC2CCCCC2)cc1	ZINC000001690203	70/95/96/342709596	OTPHEAKUEAICPM-UHFFFAOYSA-N	-1	220.268	BG	3.096	0	Anodyne	ref	BGAARM	O=C([O-])c1ccc(OC2CCCCC2)cc1	 
C[C@H](N)C(c1ccccc1)c1ccccc1	ZINC000001748031	71/20/71/342712071	XNKICCFGYSXSAI-LBPRGKRZSA-N	1	211.308	BG	3.166	0	Anodyne	ref	BGAARO	C[C@H]([NH3+])C(c1ccccc1)c1ccccc1	 
Nc1cccc(OCCCc2ccccc2)c1	ZINC000001749382	74/72/65/181747265	NOHOYGXEORYNFY-UHFFFAOYSA-N	0	227.307	BG	3.28	0	Anodyne	ref	BGAARN	Nc1cccc(OCCCc2ccccc2)c1	 
CCCCCCOc1ccc(C=O)cc1OC	ZINC000001771479	67/20/61/168672061	DYJXODUYQQLNDC-UHFFFAOYSA-N	0	236.311	BG	3.467	0	Anodyne	ref	BGAARN	CCCCCCOc1ccc(C=O)cc1OC	 
Nc1ccc(OCCCc2ccccc2)cc1	ZINC000002002147	71/41/17/342714117	TWHJRINTKADTKB-UHFFFAOYSA-N	0	227.307	BG	3.28	0	Clean	ref	BGCARN	Nc1ccc(OCCCc2ccccc2)cc1	 
C[C@@H](N)C(c1ccccc1)c1ccccc1	ZINC000002042148	80/18/37/175801837	XNKICCFGYSXSAI-GFCCVEGCSA-N	1	211.308	BG	3.166	0	Anodyne	ref	BGAARO	C[C@@H]([NH3+])C(c1ccccc1)c1ccccc1	 
OCCCCNc1cccc2ccccc12	ZINC000002390520	05/24/56/183052456	ZHKPFNWNKYUXFV-UHFFFAOYSA-N	0	215.296	BG	3.024	0	Anodyne	ref	BGAARN	OCCCCNc1cccc2ccccc12	 
COc1ccc(CCNCc2ccccc2)cc1	ZINC000002738648	09/15/83/175091583	XHHDGXBYSDCBSY-UHFFFAOYSA-N	1	241.334	BG	3.028	0	Anodyne	ref	BGAARO	COc1ccc(CC[NH2+]Cc2ccccc2)cc1	 
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O	ZINC000003063328	02/21/83/177022183	FUPGQEMJIGUBGO-NSHDSACASA-N	-1	242.274	BG	3.206	0	Anodyne	ref	BGAARM	C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-]	 
C[C@H](N)c1ccc(OCc2ccccc2)cc1	ZINC000003705526	73/69/58/342736958	QMDCQFSPDUEVRF-LBPRGKRZSA-N	1	227.307	BG	3.285	0	Anodyne	ref	BGAARO	C[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1	 
C[C@@H](N)c1ccc(OCc2ccccc2)cc1	ZINC000003705527	02/33/38/384023338	QMDCQFSPDUEVRF-GFCCVEGCSA-N	1	227.307	BG	3.285	0	Anodyne	ref	BGAARO	C[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1	 
O=C1c2ccccc2C(=O)c2cc(Cl)ccc21	ZINC000003861197	84/56/34/182845634	FPKCTSIVDAWGFA-UHFFFAOYSA-N	0	242.661	BG	3.115	0	Clean	ref	BGCARN	O=C1c2ccccc2C(=O)c2cc(Cl)ccc21	 
C=CCC(N)(CC=C)c1ccc(C)cc1	ZINC000004111514	78/07/94/386780794	HEGIGPOCFFGRKR-UHFFFAOYSA-N	1	201.313	BG	3.301	0	Mild	ref	BGEARO	C=CCC([NH3+])(CC=C)c1ccc(C)cc1	 
Cc1cccc(CNCc2ccccc2)c1	ZINC000004167824	09/63/44/179096344	QBRIQEJWKAPIEE-UHFFFAOYSA-N	0	211.308	BG	3.285	3	Anodyne	high	BGAAHN	Cc1cccc(CNCc2ccccc2)c1	 
Cc1cccc(CNCc2ccccc2)c1	ZINC000004167824	09/63/37/179096337	QBRIQEJWKAPIEE-UHFFFAOYSA-N	1	211.308	BG	3.285	0	Anodyne	ref	BGAARO	Cc1cccc(C[NH2+]Cc2ccccc2)c1	 
CCCCOc1ccc2ccccc2c1CN	ZINC000004227559	74/49/62/342744962	AXRSADQDYUPECY-UHFFFAOYSA-N	0	229.323	BG	3.477	3	Anodyne	high	BGAAHN	CCCCOc1ccc2ccccc2c1CN	 
CCCCOc1ccc2ccccc2c1CN	ZINC000004227559	74/49/61/342744961	AXRSADQDYUPECY-UHFFFAOYSA-N	0	229.323	BG	3.477	0	Anodyne	ref	BGAARN	CCCCOc1ccc2ccccc2c1C[NH3+]	 
Cc1ccc(NC(=O)c2ccccc2N)cc1C	ZINC000004306887	74/65/91/342746591	FYCFCRRBRLVDGR-UHFFFAOYSA-N	0	240.306	BG	3.138	0	Anodyne	ref	BGAARN	Cc1ccc(NC(=O)c2ccccc2N)cc1C	 
Nc1ccccc1OCCCc1ccccc1	ZINC000008723046	80/33/83/342803383	GDYFGACDOWQOSZ-UHFFFAOYSA-N	0	227.307	BG	3.28	0	Anodyne	ref	BGAARN	Nc1ccccc1OCCCc1ccccc1	 
O=C(O)c1cccc(OCCc2ccccc2)c1	ZINC000008723047	80/33/93/342803393	CBKMKWATRHJMKA-UHFFFAOYSA-N	-1	242.274	BG	3.006	0	Anodyne	ref	BGAARM	O=C([O-])c1cccc(OCCc2ccccc2)c1	 
O=C(O)c1ccccc1OCCc1ccccc1	ZINC000008723048	80/35/21/342803521	FPFOIMVFHYUQTD-UHFFFAOYSA-N	-1	242.274	BG	3.006	0	Anodyne	ref	BGAARM	O=C([O-])c1ccccc1OCCc1ccccc1	 
Cc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1C	ZINC000008723234	97/80/55/190978055	BXGMGGJULATBNL-CYBMUJFWSA-N	0	242.322	BG	3.305	0	Anodyne	ref	BGAARN	Cc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1C	 
Cc1ccc(NC(=O)[C@H](C)n2cccc2)cc1C	ZINC000008904906	76/01/84/187760184	BXGMGGJULATBNL-ZDUSSCGKSA-N	0	242.322	BG	3.305	0	Anodyne	ref	BGAARN	Cc1ccc(NC(=O)[C@H](C)n2cccc2)cc1C	 
CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)O	ZINC000009877271	26/43/47/384264347	RVCUDPXOVJSAHP-ZJUUUORDSA-N	-1	222.284	BG	3.052	0	Anodyne	ref	BGAARM	CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)[O-]	 
CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)O	ZINC000009877275	26/64/19/384266419	RVCUDPXOVJSAHP-UWVGGRQHSA-N	-1	222.284	BG	3.052	0	Anodyne	ref	BGAARM	CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)[O-]	 
CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)O	ZINC000009877281	80/61/42/170806142	RVCUDPXOVJSAHP-NXEZZACHSA-N	-1	222.284	BG	3.052	0	Anodyne	ref	BGAARM	CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)[O-]	 
CC[C@H](C)c1ccccc1O[C@H](C)C(=O)O	ZINC000009877288	26/60/85/384266085	RVCUDPXOVJSAHP-VHSXEESVSA-N	-1	222.284	BG	3.052	0	Anodyne	ref	BGAARM	CC[C@H](C)c1ccccc1O[C@H](C)C(=O)[O-]	 
CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)O	ZINC000010473492	83/66/26/342836626	XAMHWZJEVYGSKH-PWSUYJOCSA-N	-1	236.311	BG	3.442	0	Anodyne	ref	BGAARM	CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)[O-]	 
CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)O	ZINC000010473493	83/65/66/342836566	XAMHWZJEVYGSKH-JQWIXIFHSA-N	-1	236.311	BG	3.442	0	Anodyne	ref	BGAARM	CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)[O-]	 
CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)O	ZINC000010473494	83/65/14/342836514	XAMHWZJEVYGSKH-ZYHUDNBSSA-N	-1	236.311	BG	3.442	0	Anodyne	ref	BGAARM	CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)[O-]	 
CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)O	ZINC000010473495	27/27/54/384272754	XAMHWZJEVYGSKH-CMPLNLGQSA-N	-1	236.311	BG	3.442	0	Anodyne	ref	BGAARM	CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)[O-]	 
CC(C)c1ccc(O)c(Br)c1	ZINC000011949639	84/47/96/342844796	BHZOYEUHMVUPJQ-UHFFFAOYSA-N	-1	215.09	BG	3.278	3	Anodyne	high	BGAAHM	CC(C)c1ccc([O-])c(Br)c1	 
CC(C)c1ccc(O)c(Br)c1	ZINC000011949639	84/47/95/342844795	BHZOYEUHMVUPJQ-UHFFFAOYSA-N	0	215.09	BG	3.278	0	Anodyne	ref	BGAARN	CC(C)c1ccc(O)c(Br)c1	 
CC(C)c1cc(Br)ccc1O	ZINC000011949644	30/53/81/384305381	IRIAFTMIYRJHNZ-UHFFFAOYSA-N	0	215.09	BG	3.278	0	Anodyne	ref	BGAARN	CC(C)c1cc(Br)ccc1O	 
CCCCCCOc1ccccc1C(=O)O	ZINC000011958423	84/51/51/342845151	BVLVGYXYGXOSOG-UHFFFAOYSA-N	-1	222.284	BG	3.344	0	Anodyne	ref	BGAARM	CCCCCCOc1ccccc1C(=O)[O-]	 
c1ccc(CNCC2CCCCC2)cc1	ZINC000012376481	31/75/71/384317571	CNKNITYCQODULW-UHFFFAOYSA-N	1	203.329	BG	3.357	0	Anodyne	ref	BGAARO	c1ccc(C[NH2+]CC2CCCCC2)cc1	 
CNc1cccc(OCc2ccccc2)c1	ZINC000019737659	53/81/88/384538188	SBFJOCBTUYEOOD-UHFFFAOYSA-N	0	213.28	BG	3.307	0	Anodyne	ref	BGAARN	CNc1cccc(OCc2ccccc2)c1	 
CCc1ccc(OCCNCc2ccco2)cc1	ZINC000019737993	53/86/33/384538633	JVTHOAYZOWMVIQ-UHFFFAOYSA-N	0	245.322	BG	3.011	3	Anodyne	high	BGAAHN	CCc1ccc(OCCNCc2ccco2)cc1	 
CCc1ccc(OCCNCc2ccco2)cc1	ZINC000019737993	53/86/29/384538629	JVTHOAYZOWMVIQ-UHFFFAOYSA-N	1	245.322	BG	3.011	0	Anodyne	ref	BGAARO	CCc1ccc(OCC[NH2+]Cc2ccco2)cc1	 
NCc1ccc(OCc2ccccc2Cl)cc1	ZINC000020469940	84/93/20/387849320	LZKNMFXFFHLNEE-UHFFFAOYSA-N	1	247.725	BG	3.378	0	Anodyne	ref	BGAARO	[NH3+]Cc1ccc(OCc2ccccc2Cl)cc1	 
C=CCOc1ccccc1N(CC=C)C(=O)CC	ZINC000066275282	68/55/02/386685502	WALJHXYXSNRKMN-UHFFFAOYSA-N	0	245.322	BG	3.18	0	Mild	ref	BGEARN	C=CCOc1ccccc1N(CC=C)C(=O)CC	 
O=[N+]([O-])c1cccc(/C=N/c2ccc(F)cc2)c1	ZINC000085205446	92/83/60/384928360	VEQIRTJULHMQCM-OQLLNIDSSA-N	0	244.225	BG	3.485	0	Mild	ref	BGEARN	O=[N+]([O-])c1cccc(/C=N/c2ccc(F)cc2)c1	 
O=C(/C=C/Nc1ccccc1)c1ccccc1	ZINC000100011869	83/60/02/181836002	KTJZOKJJOYMVPV-VAWYXSNFSA-N	0	223.275	BG	3.495	0	Mild	ref	BGEARN	O=C(C=CNc1ccccc1)c1ccccc1