Nc1ccc(I)cc1	ZINC000000013615	17/68/27/560176827	VLVCDUSVTXIWGW-UHFFFAOYSA-N	0	219.025	BD	1.873	0	Anodyne	ref	BDAARN	Nc1ccc(I)cc1	in-vitro
COC(=O)CCC(=O)Nc1nccs1	ZINC000000027608	66/99/69/342669969	JDWOYXXSBRCZBU-UHFFFAOYSA-N	0	214.246	BD	1.035	0	Anodyne	ref	BDAARN	COC(=O)CCC(=O)Nc1nccs1	 
COC(=O)CCC(=O)N1CCc2ccccc21	ZINC000000027609	09/85/19/188098519	AYMVNVWATJUROX-UHFFFAOYSA-N	0	233.267	BD	1.529	0	Anodyne	ref	BDAARN	COC(=O)CCC(=O)N1CCc2ccccc21	 
CC(=O)c1ccc(NC(=O)CCC(=O)O)cc1	ZINC000000028116	66/99/19/342669919	HLGOIZJQTLJRAO-UHFFFAOYSA-N	-1	235.239	BD	1.693	0	Anodyne	ref	BDAARM	CC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	 
CCOc1ccc(NC(=O)CCC(=O)O)cc1	ZINC000000031533	55/09/26/170550926	YXCPMPAALKOYQA-UHFFFAOYSA-N	-1	237.255	BD	1.889	0	Anodyne	ref	BDAARM	CCOc1ccc(NC(=O)CCC(=O)[O-])cc1	 
O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000032337	67/02/58/342670258	DFXQXFGFOLXAPO-UHFFFAOYSA-N	-1	201.565	BD	1.946	0	Bother	ref	BDBARM	O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	 
CCOC(=O)c1c(N)sc2c1CCC2	ZINC000000035797	28/91/33/170289133	BOJXCJDYZJSPMZ-UHFFFAOYSA-N	0	211.286	BD	1.996	0	Anodyne	ref	BDAARN	CCOC(=O)c1c(N)sc2c1CCC2	 
CCOC(=O)c1sc(N)c(C(=O)OC)c1C	ZINC000000037375	31/10/65/170311065	NWMDHEXWYNCAME-UHFFFAOYSA-N	0	243.284	BD	1.602	0	Anodyne	ref	BDAARN	CCOC(=O)c1sc(N)c(C(=O)OC)c1C	 
Cc1ccc(NC(=O)CCC(=O)O)cc1	ZINC000000038387	67/06/58/342670658	OHHAQFFMXQEGMP-UHFFFAOYSA-N	-1	207.229	BD	1.798	0	Anodyne	ref	BDAARM	Cc1ccc(NC(=O)CCC(=O)[O-])cc1	in-vitro biogenic
NC(=O)c1ccccc1NC(=O)C1CC1	ZINC000000038515	30/64/78/181306478	FKWIFUXOIWLKPX-UHFFFAOYSA-N	0	204.229	BD	1.134	0	Anodyne	ref	BDAARN	NC(=O)c1ccccc1NC(=O)C1CC1	 
Cc1sc(NC(=O)C2CC2)c(C(N)=O)c1C	ZINC000000038526	67/07/58/342670758	ISICCIYKHRUIMG-UHFFFAOYSA-N	0	238.312	BD	1.812	0	Anodyne	ref	BDAARN	Cc1sc(NC(=O)C2CC2)c(C(N)=O)c1C	 
Cc1ccn(C(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000000038584	33/64/49/384336449	AMXVKVKDUFKZDZ-UHFFFAOYSA-N	0	231.211	BD	1.788	0	Bother	ref	BDBARN	Cc1ccn(C(=O)c2cccc([N+](=O)[O-])c2)n1	 
Cc1ccc(NC(=O)CCC(=O)O)cc1F	ZINC000000038656	67/07/54/342670754	ORPQDVBNPDILBZ-UHFFFAOYSA-N	-1	225.219	BD	1.937	0	Anodyne	ref	BDAARM	Cc1ccc(NC(=O)CCC(=O)[O-])cc1F	 
CCC(=O)Nc1sc(C)c(C)c1C(N)=O	ZINC000000038751	24/77/85/168247785	BGHBEYDLRXTBNW-UHFFFAOYSA-N	0	226.301	BD	1.812	0	Anodyne	ref	BDAARN	CCC(=O)Nc1sc(C)c(C)c1C(N)=O	 
Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1	ZINC000000038948	41/37/49/178413749	BCCAVMYIIFGHBH-GFCCVEGCSA-N	0	219.284	BD	1.904	0	Anodyne	ref	BDAARN	Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1	 
Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	ZINC000000038949	41/31/20/178413120	BCCAVMYIIFGHBH-LBPRGKRZSA-N	0	219.284	BD	1.904	0	Anodyne	ref	BDAARN	Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	 
Cc1cc(C(=O)n2nc(C)cc2C)[nH]n1	ZINC000000039342	81/94/89/383819489	WWTFEUHLMJUTAN-UHFFFAOYSA-N	0	204.233	BD	1.22	0	Anodyne	ref	BDAARN	Cc1cc(C)n(C(=O)c2cc(C)[nH]n2)n1	 
Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000000045801	69/98/51/181699851	FQEGZNLIOFLYNI-UHFFFAOYSA-N	0	204.273	BD	1.895	0	Anodyne	ref	BDAARN	Nc1ccc(C(=O)N2CCCCC2)cc1	 
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC1	ZINC000000045873	20/12/59/175201259	RSNWWQOTIPNZRR-UHFFFAOYSA-N	0	236.227	BD	1.952	0	Bother	ref	BDBARN	COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC1	 
Cc1ccc(C(N)=O)cc1Br	ZINC000000045937	45/76/42/178457642	HAUIONXDUJDQSK-UHFFFAOYSA-N	0	214.062	BD	1.856	0	Anodyne	ref	BDAARN	Cc1ccc(C(N)=O)cc1Br	 
CCOc1ccc(N/N=C(\C#N)C(N)=S)cc1	ZINC000000045960	03/14/39/521031439	CSOXAZJJGGLOJK-XNTDXEJSSA-N	0	248.311	BD	1.663	0	Mild	ref	BDEARN	CCOc1ccc(NN=C(C#N)C(N)=S)cc1	 
Fc1ccc(NC(=S)N2CCOCC2)cc1	ZINC000000046177	67/12/78/342671278	ZXRLPXAHXOCANL-UHFFFAOYSA-N	0	240.303	BD	1.855	0	Anodyne	ref	BDAARN	Fc1ccc(NC(=S)N2CCOCC2)cc1	 
Cc1ccccc1N/N=C(/C#N)C(N)=S	ZINC000000046208	29/65/58/179296558	YILSEDNYFOYLLU-ZROIWOOFSA-N	0	218.285	BD	1.573	0	Mild	ref	BDEARN	Cc1ccccc1NN=C(C#N)C(N)=S	 
Cc1c(Cl)cccc1N/N=C(/C#N)C(N)=O	ZINC000000046379	67/12/88/342671288	OAKJCVXAFNXWSE-DHDCSXOGSA-N	0	236.662	BD	1.425	0	Mild	ref	BDEARN	Cc1c(Cl)cccc1NN=C(C#N)C(N)=O	 
CC(=O)C(=NNc1ccc(C(C)=O)cc1)C(C)=O	ZINC000000046382	81/89/26/383818926	BZOOGTUIHCFELT-UHFFFAOYSA-N	0	246.266	BD	1.835	0	Mild	ref	BDEARN	CC(=O)C(=NNc1ccc(C(C)=O)cc1)C(C)=O	 
CCOc1ccc(N/N=C(/C#N)C(=O)OC)cc1	ZINC000000046462	67/12/99/342671299	VNTKIIWFXMYTDM-PTNGSMBKSA-N	0	247.254	BD	1.55	0	Mild	ref	BDEARN	CCOc1ccc(NN=C(C#N)C(=O)OC)cc1	 
CCOc1ccc(NN=C(C#N)C#N)cc1	ZINC000000046463	55/22/75/170552275	SXBKRRIBFWTPPO-UHFFFAOYSA-N	0	214.228	BD	1.9	0	Mild	ref	BDEARN	CCOc1ccc(NN=C(C#N)C#N)cc1	 
COc1ccc([N+](=O)[O-])cc1NN=C(C#N)C#N	ZINC000000046484	20/12/20/175201220	MQXCHFGIODALHC-UHFFFAOYSA-N	-1	245.198	BD	1.418	1	Mild	mid	BDEAMM	COc1ccc([N+](=O)[O-])cc1[N-]N=C(C#N)C#N	 
COc1ccc([N+](=O)[O-])cc1NN=C(C#N)C#N	ZINC000000046484	20/12/19/175201219	MQXCHFGIODALHC-UHFFFAOYSA-N	0	245.198	BD	1.418	0	Mild	ref	BDEARN	COc1ccc([N+](=O)[O-])cc1NN=C(C#N)C#N	 
O=C(NC[C@H]1CCCO1)NC1CCCCC1	ZINC000000046867	23/97/58/182239758	RYUZWZOTJULRNS-LLVKDONJSA-N	0	226.32	BD	1.797	0	Anodyne	ref	BDAARN	O=C(NC[C@H]1CCCO1)NC1CCCCC1	in-vitro
O=C(NC[C@@H]1CCCO1)NC1CCCCC1	ZINC000000046868	27/24/89/188272489	RYUZWZOTJULRNS-NSHDSACASA-N	0	226.32	BD	1.797	0	Anodyne	ref	BDAARN	O=C(NC[C@@H]1CCCO1)NC1CCCCC1	 
NC(=O)c1cccc(/N=C/c2ccc[nH]2)c1	ZINC000000047175	30/26/02/181302602	QRXHEYDNJMWUJP-OVCLIPMQSA-N	0	213.24	BD	1.864	0	Mild	ref	BDEARN	NC(=O)c1cccc(/N=C/c2ccc[nH]2)c1	 
COc1ccc(C=C(C(=O)O)C(=O)O)cc1	ZINC000000054736	08/63/39/175086339	QYXHQRJWUMDWGJ-UHFFFAOYSA-N	-2	222.196	BD	1.248	0	Anodyne	ref	BDAARL	COc1ccc(C=C(C(=O)[O-])C(=O)[O-])cc1	 
CCCC(=O)Nc1ccccc1C(N)=O	ZINC000000055156	56/61/33/168566133	QJFWQGGTNDNSPI-UHFFFAOYSA-N	0	206.245	BD	1.524	0	Anodyne	ref	BDAARN	CCCC(=O)Nc1ccccc1C(N)=O	 
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O	ZINC000000056436	64/86/06/166648606	ZQEBQGAAWMOMAI-ZETCQYMHSA-N	-1	215.249	BD	1.471	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[O-]	 
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O	ZINC000000056437	24/44/68/187244468	ZQEBQGAAWMOMAI-SSDOTTSWSA-N	-1	215.249	BD	1.471	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)[O-]	 
COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	ZINC000000056579	44/47/43/384444743	GGTSJKFPGKFLCZ-UHFFFAOYSA-N	0	239.183	BD	1.168	0	Bother	ref	BDBARN	COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	 
CC(C)(C)OC(=O)N1CCC[C@H]1CO	ZINC000000057018	64/90/25/166649025	BFFLLBPMZCIGRM-QMMMGPOBSA-N	0	201.266	BD	1.378	0	Anodyne	ref	BDAARN	CC(C)(C)OC(=O)N1CCC[C@H]1CO	 
CC(C)(C)OC(=O)N1CCC[C@@H]1CO	ZINC000000057019	24/44/85/187244485	BFFLLBPMZCIGRM-MRVPVSSYSA-N	0	201.266	BD	1.378	0	Anodyne	ref	BDAARN	CC(C)(C)OC(=O)N1CCC[C@@H]1CO	 
O=S(=O)(NCc1ccccc1)C(F)(F)F	ZINC000000057550	82/08/64/383820864	IJHVVEQTOXFGCL-UHFFFAOYSA-N	0	239.218	BD	1.626	2	Anodyne	low	BDAALN	O=S(=O)(NCc1ccccc1)C(F)(F)F	 
O=S(=O)(NCc1ccccc1)C(F)(F)F	ZINC000000057550	82/08/55/383820855	IJHVVEQTOXFGCL-UHFFFAOYSA-N	-1	239.218	BD	1.626	0	Anodyne	ref	BDAARM	O=S(=O)([N-]Cc1ccccc1)C(F)(F)F	 
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1	ZINC000000057562	67/21/59/342672159	JWOHBPPVVDQMKB-UHFFFAOYSA-N	-1	229.276	BD	1.718	0	Anodyne	ref	BDAARM	CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC1	 
O=C(N/N=C/c1ccc(O)cc1)c1ccncc1	ZINC000000061587	17/71/97/560177197	MXEBNXXQDJLMTC-OQLLNIDSSA-N	0	241.25	BD	1.551	0	Reactive	ref	BDGARN	O=C(N/N=C/c1ccc(O)cc1)c1ccncc1	in-vitro
O=C1c2ccccc2C(=O)N1/N=C/c1ccc[nH]1	ZINC000000062488	82/21/46/383822146	XXMGXKFAIDRWQE-OVCLIPMQSA-N	0	239.234	BD	1.645	0	Mild	ref	BDEARN	O=C1c2ccccc2C(=O)N1/N=C/c1ccc[nH]1	 
CC(C)(C)OC(=O)N1CCC(O)CC1	ZINC000000066271	67/23/68/342672368	PWQLFIKTGRINFF-UHFFFAOYSA-N	0	201.266	BD	1.378	0	Anodyne	ref	BDAARN	CC(C)(C)OC(=O)N1CCC(O)CC1	 
Cc1ccc(N/N=C(/C#N)C(N)=O)cc1C	ZINC000000068725	67/26/84/342672684	PSZROJYHJCDBLA-GDNBJRDFSA-N	0	216.244	BD	1.08	0	Mild	ref	BDEARN	Cc1ccc(NN=C(C#N)C(N)=O)cc1C	 
Cc1cc(C)n(/N=C/c2ccc[nH]2)c(=O)c1C#N	ZINC000000069025	67/27/69/342672769	JVEMFOKQZLBMQE-LZYBPNLTSA-N	0	240.266	BD	1.547	0	Mild	ref	BDEARN	Cc1cc(C)n(/N=C/c2ccc[nH]2)c(=O)c1C#N	 
Cc1ccc(NC(=O)/C=C/C(=O)O)cc1C	ZINC000000072321	82/09/97/383820997	BKCZXPVWUVICKC-AATRIKPKSA-N	-1	219.24	BD	1.883	0	Anodyne	ref	BDAARM	Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1C	 
Cc1cc(C(=O)O)nn1-c1ccccc1	ZINC000000075561	67/30/78/342673078	JAUNWUAOFPNAKK-UHFFFAOYSA-N	-1	202.213	BD	1.879	0	Anodyne	ref	BDAARM	Cc1cc(C(=O)[O-])nn1-c1ccccc1	 
S=C(Cc1cccnc1)N1CCOCC1	ZINC000000075641	24/40/79/187244079	GTBVCLWBSABWPA-UHFFFAOYSA-N	0	222.313	BD	1.284	0	Anodyne	ref	BDAARN	S=C(Cc1cccnc1)N1CCOCC1	 
CCOC(=O)c1sc(N)c(C#N)c1C	ZINC000000075910	31/08/93/170310893	NCCMCRFYSZRBBG-UHFFFAOYSA-N	0	210.258	BD	1.687	0	Mild	ref	BDEARN	CCOC(=O)c1sc(N)c(C#N)c1C	 
COC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000000080505	61/48/94/173614894	ZZVXTAUUUUCLAG-UHFFFAOYSA-N	0	211.173	BD	1.147	0	Bother	ref	BDBARN	COC(=O)COc1ccc([N+](=O)[O-])cc1	 
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000000080814	41/09/13/574410913	DZTHIGRZJZPRDV-GFCCVEGCSA-N	-1	246.266	BD	1.3	0	Anodyne	ref	BDAARM	CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	in-vitro endogenous
COc1ccccc1/C=C/C(=O)NC(N)=S	ZINC000000082324	31/40/32/175314032	XNZQGECIJYRRRU-VOTSOKGWSA-N	0	236.296	BD	1.068	0	Anodyne	ref	BDAARN	COc1ccccc1C=CC(=O)NC(N)=S	 
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000000083315	55/32/48/181553248	QIVBCDIJIAJPQS-VIFPVBQESA-N	0	204.229	BD	1.122	0	Anodyne	ref	BDAARN	[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	fda endogenous
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000000083317	67/32/52/342673252	QIVBCDIJIAJPQS-SECBINFHSA-N	0	204.229	BD	1.122	0	Anodyne	ref	BDAARN	[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	in-man endogenous
N#Cc1cc2c(nc1SCC(=O)O)CCC2	ZINC000000086906	09/36/98/181093698	OQWUGRYMRCDWMR-UHFFFAOYSA-N	-1	234.28	BD	1.619	0	Mild	ref	BDEARM	N#Cc1cc2c(nc1SCC(=O)[O-])CCC2	 
O=C(O)c1ccccc1I	ZINC000000090931	67/40/90/342674090	CJNZAXGUTKBIHP-UHFFFAOYSA-N	-1	248.019	BD	1.989	0	Anodyne	ref	BDAARM	O=C([O-])c1ccccc1I	in-vitro
CC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1	ZINC000000092461	48/43/90/166484390	HTMLKRFQINMFRA-UHFFFAOYSA-N	0	249.291	BD	1.928	0	Anodyne	ref	BDAARN	CC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1	 
COC(=O)/C(C#N)=N/Nc1ccc(C#N)cc1	ZINC000000096443	82/78/01/383827801	SJOBDAHQCFKAFQ-XNTDXEJSSA-N	0	228.211	BD	1.023	0	Mild	ref	BDEARN	COC(=O)C(C#N)=NNc1ccc(C#N)cc1	 
O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000000103314	40/50/51/344405051	ODNSILCPLROTCN-UHFFFAOYSA-N	0	236.227	BD	1.067	0	Bother	ref	BDBARN	O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1	 
O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1	ZINC000000103316	67/46/31/342674631	KAORXJOPNPLLFN-UHFFFAOYSA-N	0	220.228	BD	1.831	0	Bother	ref	BDBARN	O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1	 
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1	ZINC000000105333	04/63/31/363046331	JXGVXCZADZNAMJ-NSHDSACASA-N	-1	249.266	BD	1.872	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CCCN1C(=O)OCc1ccccc1	in-vitro biogenic
Cc1ccc(/C=C/C(=O)NC[C@H]2CCCO2)o1	ZINC000000106454	82/82/41/383828241	UONAMPXZOYHUDY-NNNHXZLVSA-N	0	235.283	BD	1.896	0	Anodyne	ref	BDAARN	Cc1ccc(/C=C/C(=O)NC[C@H]2CCCO2)o1	 
Cc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)o1	ZINC000000106460	82/73/50/383827350	UONAMPXZOYHUDY-SYTKJHMZSA-N	0	235.283	BD	1.896	0	Anodyne	ref	BDAARN	Cc1ccc(/C=C/C(=O)NC[C@@H]2CCCO2)o1	 
COc1ccc(CCC(=O)O)cc1OC	ZINC000000106688	08/86/39/175088639	LHHKQWQTBCTDQM-UHFFFAOYSA-N	-1	210.229	BD	1.721	0	Anodyne	ref	BDAARM	COc1ccc(CCC(=O)[O-])cc1OC	in-vivo
O=C(O)CCC(=O)Nc1ccc(F)cc1	ZINC000000113263	82/67/88/383826788	NAPJELQHRKGMDD-UHFFFAOYSA-N	-1	211.192	BD	1.629	0	Anodyne	ref	BDAARM	O=C([O-])CCC(=O)Nc1ccc(F)cc1	 
Cc1cc(C)n(/N=C/c2ccco2)c(=O)c1C#N	ZINC000000116424	67/53/28/342675328	DWVOZJJPKRMKDG-OVCLIPMQSA-N	0	241.25	BD	1.812	0	Mild	ref	BDEARN	Cc1cc(C)n(/N=C/c2ccco2)c(=O)c1C#N	 
N#Cc1ccc(NC(=O)/C=C/C(=O)O)cc1	ZINC000000116586	11/76/15/181117615	RPHFOECPERWGCT-AATRIKPKSA-N	-1	216.196	BD	1.138	0	Mild	ref	BDEARM	N#Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1	 
N#Cc1cc2c(nc1SCC(N)=O)CCC2	ZINC000000116657	09/40/71/181094071	ZFPPLOJIYNVXMV-UHFFFAOYSA-N	0	233.296	BD	1.019	0	Mild	ref	BDEARN	N#Cc1cc2c(nc1SCC(N)=O)CCC2	 
CCOC(=O)c1nn(C)c(C)c1Br	ZINC000000120081	30/88/81/170308881	ISCGRIWEGHGXSD-UHFFFAOYSA-N	0	247.092	BD	1.668	0	Anodyne	ref	BDAARN	CCOC(=O)c1nn(C)c(C)c1Br	 
COC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000000120463	55/45/10/344554510	DCTZWJFKYORNHV-UHFFFAOYSA-N	0	211.173	BD	1.147	0	Bother	ref	BDBARN	COC(=O)COc1ccccc1[N+](=O)[O-]	 
O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1	ZINC000000124903	66/49/90/182664990	VGGZQWDRWOXJTA-UHFFFAOYSA-N	0	236.227	BD	1.067	0	Bother	ref	BDBARN	O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1	 
COC(=O)CCC(=O)Nc1ccc(C#N)cc1	ZINC000000125252	51/02/73/346510273	YDYONKMINMVIMJ-UHFFFAOYSA-N	0	232.239	BD	1.45	0	Mild	ref	BDEARN	COC(=O)CCC(=O)Nc1ccc(C#N)cc1	 
COC(=O)CCC(=O)Nc1cccc(C(C)=O)c1	ZINC000000125384	67/57/71/342675771	AAHACDZDADVTNP-UHFFFAOYSA-N	0	249.266	BD	1.781	0	Anodyne	ref	BDAARN	COC(=O)CCC(=O)Nc1cccc(C(C)=O)c1	 
CC(=O)c1cccc(NC(=O)CCC(=O)O)c1	ZINC000000125413	47/51/23/166475123	NORCWPAHFOSSOP-UHFFFAOYSA-N	-1	235.239	BD	1.692	0	Anodyne	ref	BDAARM	CC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1	 
Nn1c(-c2ccccc2)nc2ccccc2c1=O	ZINC000000127356	83/00/71/383830071	YKBACEIGOHYXAC-UHFFFAOYSA-N	0	237.262	BD	1.777	0	Anodyne	ref	BDAARN	Nn1c(-c2ccccc2)nc2ccccc2c1=O	 
Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000128944	67/61/07/342676107	ZTTBIWZAAMPNBE-UHFFFAOYSA-N	0	240.328	BD	1.443	0	Anodyne	ref	BDAARN	Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	 
Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000128956	67/61/47/342676147	JTIWXDLCUZTDFM-UHFFFAOYSA-N	0	226.301	BD	1.053	0	Anodyne	ref	BDAARN	Nc1ccc(S(=O)(=O)N2CCCC2)cc1	 
CC(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)O	ZINC000000129835	08/43/90/167084390	LKHIMICNMRXHFN-DTWKUNHWSA-N	-1	213.277	BD	1.402	0	Anodyne	ref	BDAARM	CC(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	 
CC(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)O	ZINC000000129837	08/16/25/167081625	LKHIMICNMRXHFN-RKDXNWHRSA-N	-1	213.277	BD	1.402	0	Anodyne	ref	BDAARM	CC(C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	 
CC(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O	ZINC000000129838	08/39/31/167083931	LKHIMICNMRXHFN-IUCAKERBSA-N	-1	213.277	BD	1.402	0	Anodyne	ref	BDAARM	CC(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	 
CC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O	ZINC000000129840	08/11/30/167081130	LKHIMICNMRXHFN-BDAKNGLRSA-N	-1	213.277	BD	1.402	0	Anodyne	ref	BDAARM	CC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	 
O=C(O)[C@H]1CCCN1C(=O)OCc1ccccc1	ZINC000000130672	04/80/57/363048057	JXGVXCZADZNAMJ-LLVKDONJSA-N	-1	249.266	BD	1.872	0	Anodyne	ref	BDAARM	O=C([O-])[C@H]1CCCN1C(=O)OCc1ccccc1	in-vitro biogenic
COC(=O)CCC(=O)Nc1ccc(OC)cc1	ZINC000000134018	52/59/39/173525939	STGKRNDWPSTZMI-UHFFFAOYSA-N	0	237.255	BD	1.587	0	Anodyne	ref	BDAARN	COC(=O)CCC(=O)Nc1ccc(OC)cc1	 
O=C(O)/C=C/C(=O)N1CCc2ccccc21	ZINC000000134076	40/93/83/182409383	XCYGCNJVPDEBPR-AATRIKPKSA-N	-1	217.224	BD	1.216	0	Anodyne	ref	BDAARM	O=C([O-])/C=C/C(=O)N1CCc2ccccc21	 
CC(=O)Nc1sc(C)c(C)c1C(N)=O	ZINC000000134156	83/32/61/383833261	BQCQFJPPMAWWDE-UHFFFAOYSA-N	0	212.274	BD	1.422	0	Anodyne	ref	BDAARN	CC(=O)Nc1sc(C)c(C)c1C(N)=O	 
Nc1ccccc1C(=O)N1CCCCC1	ZINC000000134245	67/63/40/342676340	YJTQPHOSNYIGPC-UHFFFAOYSA-N	0	204.273	BD	1.895	0	Anodyne	ref	BDAARN	Nc1ccccc1C(=O)N1CCCCC1	 
COC(=O)CCC(=O)Nc1ccccc1	ZINC000000142072	52/60/46/173526046	YYOHIHLNZZZABC-UHFFFAOYSA-N	0	207.229	BD	1.578	0	Anodyne	ref	BDAARN	COC(=O)CCC(=O)Nc1ccccc1	 
O=C(O)COc1ccc(Br)cc1	ZINC000000142076	83/40/39/383834039	SZEBGAQWWSUOHT-UHFFFAOYSA-N	-1	231.045	BD	1.913	0	Anodyne	ref	BDAARM	O=C([O-])COc1ccc(Br)cc1	 
O=C(O)c1ccccc1C(=O)N1CCCC1	ZINC000000142147	67/65/69/342676569	QCEUWPGTKKABMR-UHFFFAOYSA-N	-1	219.24	BD	1.621	0	Anodyne	ref	BDAARM	O=C([O-])c1ccccc1C(=O)N1CCCC1	 
Cc1ccccc1OCC(=O)N1CCOCC1	ZINC000000142232	30/99/07/179309907	IMTWSVMXBUMEQP-UHFFFAOYSA-N	0	235.283	BD	1.233	0	Anodyne	ref	BDAARN	Cc1ccccc1OCC(=O)N1CCOCC1	 
O=C(Cc1ccccc1)N1CCOCC1	ZINC000000142423	04/31/20/182043120	UOEAKFDLEWRHEY-UHFFFAOYSA-N	0	205.257	BD	1.088	0	Anodyne	ref	BDAARN	O=C(Cc1ccccc1)N1CCOCC1	 
CC(=O)Nc1ccc(NC(=O)C2CC2)cc1	ZINC000000142521	83/40/53/383834053	XJFJFROTOPBZCO-UHFFFAOYSA-N	0	218.256	BD	1.993	0	Anodyne	ref	BDAARN	CC(=O)Nc1ccc(NC(=O)C2CC2)cc1	in-vitro
COC(=O)c1ccc(NC(=O)C2CC2)cc1	ZINC000000142526	83/41/42/383834142	ZVRPUVZOKHRBOE-UHFFFAOYSA-N	0	219.24	BD	1.822	0	Anodyne	ref	BDAARN	COC(=O)c1ccc(NC(=O)C2CC2)cc1	 
Cc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000000142724	25/15/66/179251566	NRSKFBXGJXDGQD-LLVKDONJSA-N	0	219.284	BD	1.904	0	Anodyne	ref	BDAARN	Cc1ccccc1C(=O)NC[C@H]1CCCO1	 
Cc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000000142727	24/92/18/179249218	NRSKFBXGJXDGQD-NSHDSACASA-N	0	219.284	BD	1.904	0	Anodyne	ref	BDAARN	Cc1ccccc1C(=O)NC[C@@H]1CCCO1	 
O=C(NC[C@H]1CCCO1)c1ccccc1	ZINC000000142915	23/89/34/182238934	PUWUDJOAVMKLBK-LLVKDONJSA-N	0	205.257	BD	1.595	0	Anodyne	ref	BDAARN	O=C(NC[C@H]1CCCO1)c1ccccc1	 
O=C(NC[C@@H]1CCCO1)c1ccccc1	ZINC000000142918	67/70/05/342677005	PUWUDJOAVMKLBK-NSHDSACASA-N	0	205.257	BD	1.595	0	Anodyne	ref	BDAARN	O=C(NC[C@@H]1CCCO1)c1ccccc1	 
O=C(COc1ccccc1)NC[C@H]1CCCO1	ZINC000000142922	00/27/86/182002786	TZSZZYGHGXEJTC-GFCCVEGCSA-N	0	235.283	BD	1.361	0	Anodyne	ref	BDAARN	O=C(COc1ccccc1)NC[C@H]1CCCO1