Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000000002105	66/93/79/342669379	GECHUMIMRBOMGK-UHFFFAOYSA-N	0	249.295	BD	1.465	2	Anodyne	low	BDAALN	Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	world
Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000000002105	66/93/76/342669376	GECHUMIMRBOMGK-UHFFFAOYSA-N	-1	249.295	BD	1.465	0	Anodyne	ref	BDAARM	Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	world
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1	ZINC000000006310	81/78/26/383817826	MQJKPEGWNLWLTK-UHFFFAOYSA-N	0	248.307	BD	1.684	0	Anodyne	ref	BDAARN	Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1	fda
COC(=O)c1cccc(N2CCCC2=O)c1	ZINC000000027620	47/07/22/487470722	JTVFAEPZESYNNJ-UHFFFAOYSA-N	0	219.24	BD	1.6	0	Anodyne	ref	BDAARN	COC(=O)c1cccc(N2CCCC2=O)c1	 
COC(=O)c1cc(OC)c(OC)c(OC)c1N	ZINC000000028446	86/12/35/173861235	UPVUQELOASQBMY-UHFFFAOYSA-N	0	241.243	BD	1.081	0	Anodyne	ref	BDAARN	COC(=O)c1cc(OC)c(OC)c(OC)c1N	 
COc1ccc([C@H](N)CC(=O)O)cc1OC	ZINC000000031179	19/11/16/175191116	FGCXSFRGPCUBPW-MRVPVSSYSA-N	0	225.244	BD	1.178	0	Anodyne	ref	BDAARN	COc1ccc([C@H]([NH3+])CC(=O)[O-])cc1OC	 
COc1ccc([C@@H](N)CC(=O)O)cc1OC	ZINC000000031180	17/94/78/175179478	FGCXSFRGPCUBPW-QMMMGPOBSA-N	0	225.244	BD	1.178	0	Anodyne	ref	BDAARN	COc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1OC	 
N#CCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000000032398	03/44/18/181034418	YCDLCHVIKUNVHM-UHFFFAOYSA-N	0	205.173	BD	1.447	0	Mild	ref	BDEARN	N#CCC(=O)Nc1cccc([N+](=O)[O-])c1	 
Cc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1C	ZINC000000034947	67/03/83/342670383	FVLRNFDPKXYNTR-JTQLQIEISA-N	-1	233.267	BD	1.741	0	Anodyne	ref	BDAARM	Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1C	 
Cc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1C	ZINC000000034948	67/03/28/342670328	FVLRNFDPKXYNTR-SNVBAGLBSA-N	-1	233.267	BD	1.741	0	Anodyne	ref	BDAARM	Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1C	 
Cc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1C	ZINC000000035034	12/42/16/179124216	OPPJYODZNFUYTP-JTQLQIEISA-N	-1	233.267	BD	1.741	0	Anodyne	ref	BDAARM	Cc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1C	 
Cc1cccc(N2C[C@H](C(=O)O)CC2=O)c1C	ZINC000000035035	12/36/62/179123662	OPPJYODZNFUYTP-SNVBAGLBSA-N	-1	233.267	BD	1.741	0	Anodyne	ref	BDAARM	Cc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1C	 
Nc1cnn(-c2ccccc2)c(=O)c1Cl	ZINC000000035807	77/09/40/181770940	WYKYKTKDBLFHCY-UHFFFAOYSA-N	0	221.647	BD	1.468	0	Anodyne	ref	BDAARN	Nc1cnn(-c2ccccc2)c(=O)c1Cl	in-vitro
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1	ZINC000000037835	52/22/68/182522268	FSNCEEGOMTYXKY-JTQLQIEISA-N	0	216.24	BD	1.267	0	Anodyne	ref	BDAARN	O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)C[NH2+]1	in-man endogenous
Nc1nnc(CCc2ccccc2)s1	ZINC000000040104	81/38/64/181813864	HSTFNSVDVOLQQH-UHFFFAOYSA-N	0	205.286	BD	1.905	0	Anodyne	ref	BDAARN	Nc1nnc(CCc2ccccc2)s1	 
O=C(O)[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000000040480	67/10/44/342671044	JXNDLFWQCQNSRP-MRVPVSSYSA-N	-1	211.261	BD	1.252	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CC(=O)N(C2CCCCC2)C1	 
CC(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000040938	34/48/54/167344854	UUIPGCXIZVZSEC-JTQLQIEISA-N	-1	247.25	BD	1.392	0	Anodyne	ref	BDAARM	CC(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	in-vitro
CC(C)[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000040939	81/94/28/383819428	UUIPGCXIZVZSEC-SNVBAGLBSA-N	-1	247.25	BD	1.392	0	Anodyne	ref	BDAARM	CC(C)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	in-vitro
CCN(CC)c1ccc2c(=O)[nH][nH]c(=O)c2c1	ZINC000000053635	82/08/88/383820888	WNYLSNZNCJLARI-UHFFFAOYSA-N	-1	233.271	BD	1.063	3	Anodyne	high	BDAAHM	CCN(CC)c1ccc2c(=O)[nH][n-]c(=O)c2c1	 
CCN(CC)c1ccc2c(=O)[nH][nH]c(=O)c2c1	ZINC000000053635	82/08/80/383820880	WNYLSNZNCJLARI-UHFFFAOYSA-N	0	233.271	BD	1.063	0	Anodyne	ref	BDAARN	CCN(CC)c1ccc2c(=O)[nH][nH]c(=O)c2c1	 
COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1	ZINC000000056406	20/32/24/175203224	KVNPSKDDJARYKK-JTQLQIEISA-N	0	234.255	BD	1.131	0	Anodyne	ref	BDAARN	COc1ccc2[nH]cc(C[C@H]([NH3+])C(=O)[O-])c2c1	in-man endogenous
COc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1	ZINC000000056407	20/30/09/175203009	KVNPSKDDJARYKK-SNVBAGLBSA-N	0	234.255	BD	1.131	0	Anodyne	ref	BDAARN	COc1ccc2[nH]cc(C[C@@H]([NH3+])C(=O)[O-])c2c1	 
COc1cc(C=O)cc(Br)c1O	ZINC000000056430	07/40/82/358074082	KLSHZDPXXKAHIJ-UHFFFAOYSA-N	0	231.045	BD	1.976	2	Anodyne	low	BDAALN	COc1cc(C=O)cc(Br)c1O	 
COc1cc(C=O)cc(Br)c1O	ZINC000000056430	07/40/68/358074068	KLSHZDPXXKAHIJ-UHFFFAOYSA-N	-1	231.045	BD	1.976	0	Anodyne	ref	BDAARM	COc1cc(C=O)cc(Br)c1[O-]	 
O=C(O)c1c(F)c(F)c(F)c(C(=O)O)c1F	ZINC000000056732	67/18/66/342671866	PGRIMKUYGUHAKH-UHFFFAOYSA-N	-2	238.092	BD	1.639	0	Anodyne	ref	BDAARL	O=C([O-])c1c(F)c(F)c(F)c(C(=O)[O-])c1F	 
COC(=O)c1cc2ccc(OC)cc2[nH]1	ZINC000000056809	82/07/94/383820794	OPUUCOLVBDQWEY-UHFFFAOYSA-N	0	205.213	BD	1.963	0	Anodyne	ref	BDAARN	COC(=O)c1cc2ccc(OC)cc2[nH]1	 
O=Cc1cc(Br)cc([N+](=O)[O-])c1O	ZINC000000056983	44/62/83/384446283	YEYPSUQQZNDKDE-UHFFFAOYSA-N	-1	246.016	BD	1.875	0	Bother	ref	BDBARM	O=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	 
CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000057449	67/21/29/342672129	URWCIQUEFSJOJG-VIFPVBQESA-N	-1	233.223	BD	1.146	0	Anodyne	ref	BDAARM	CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	 
CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000057450	23/61/59/171236159	URWCIQUEFSJOJG-SECBINFHSA-N	-1	233.223	BD	1.146	0	Anodyne	ref	BDAARM	CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	 
COC(=O)c1cc(OC)c(OC)cc1N	ZINC000000057545	82/10/42/383821042	QQFHCCQSCQBKBG-UHFFFAOYSA-N	0	211.217	BD	1.073	0	Anodyne	ref	BDAARN	COC(=O)c1cc(OC)c(OC)cc1N	 
COc1ccc2occ(C=O)c(=O)c2c1	ZINC000000057948	23/22/52/175232252	ILFXSWVYDSZVBC-UHFFFAOYSA-N	0	204.181	BD	1.614	0	Anodyne	ref	BDAARN	COc1ccc2occ(C=O)c(=O)c2c1	in-vitro biogenic
COc1ccc(-c2noc(CCC(=O)O)n2)cc1	ZINC000000058346	04/23/07/175042307	WRFNXLGYERRRTO-UHFFFAOYSA-N	-1	248.238	BD	1.762	0	Anodyne	ref	BDAARM	COc1ccc(-c2noc(CCC(=O)[O-])n2)cc1	 
Cc1cc(C(F)(F)F)n2nc(C(=O)O)cc2n1	ZINC000000058932	82/20/04/383822004	UWQIEJSYYZOGBU-UHFFFAOYSA-N	-1	245.16	BD	1.755	0	Anodyne	ref	BDAARM	Cc1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1	 
O=C(O)CSc1nc2ccccc2[nH]1	ZINC000000060423	82/14/36/383821436	UYNVBLJQBCTRKV-UHFFFAOYSA-N	-1	208.242	BD	1.74	0	Anodyne	ref	BDAARM	O=C([O-])CSc1nc2ccccc2[nH]1	in-vitro
COc1ccc(CNC(=O)CC#N)cc1	ZINC000000060967	10/41/05/175104105	CZEXVFFBZBDCNV-UHFFFAOYSA-N	0	204.229	BD	1.225	0	Mild	ref	BDEARN	COc1ccc(CNC(=O)CC#N)cc1	 
O=Cc1c(Cl)nc2ccccn2c1=O	ZINC000000061484	85/83/88/182858388	VHLHXLJSHPMFCL-UHFFFAOYSA-N	0	208.604	BD	1.16	0	Anodyne	ref	BDAARN	O=Cc1c(Cl)nc2ccccn2c1=O	 
CCc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1	ZINC000000061922	82/18/03/383821803	DFTUTKZCUVWXKB-JTQLQIEISA-N	-1	233.267	BD	1.686	0	Anodyne	ref	BDAARM	CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	 
CCc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1	ZINC000000061923	81/67/01/171816701	DFTUTKZCUVWXKB-SNVBAGLBSA-N	-1	233.267	BD	1.686	0	Anodyne	ref	BDAARM	CCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	 
CC(C)Oc1ccc([C@H](N)CC(=O)O)cc1	ZINC000000062808	30/08/78/167300878	GQJOHIGVBBGCRS-LLVKDONJSA-N	0	223.272	BD	1.948	0	Anodyne	ref	BDAARN	CC(C)Oc1ccc([C@H]([NH3+])CC(=O)[O-])cc1	 
CC(C)Oc1ccc([C@@H](N)CC(=O)O)cc1	ZINC000000062809	29/90/03/167299003	GQJOHIGVBBGCRS-NSHDSACASA-N	0	223.272	BD	1.948	0	Anodyne	ref	BDAARN	CC(C)Oc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1	 
O=C(O)Cn1nnc(-c2ccccc2Cl)n1	ZINC000000063891	49/89/17/182498917	XTEQROKRTGIKDV-UHFFFAOYSA-N	-1	238.634	BD	1.078	0	Anodyne	ref	BDAARM	O=C([O-])Cn1nnc(-c2ccccc2Cl)n1	 
CCOC(=O)c1c(N)sc2c1CCN(C)C2	ZINC000000066623	28/90/54/170289054	BLLSMPCWRPCBDL-UHFFFAOYSA-N	0	240.328	BD	1.495	1	Anodyne	mid	BDAAMN	CCOC(=O)c1c(N)sc2c1CCN(C)C2	 
CCOC(=O)c1c(N)sc2c1CCN(C)C2	ZINC000000066623	28/90/53/170289053	BLLSMPCWRPCBDL-UHFFFAOYSA-N	1	240.328	BD	1.495	1	Anodyne	mid	BDAAMO	CCOC(=O)c1c(N)sc2c1CC[N@@H+](C)C2	 
CCOC(=O)c1c(N)sc2c1CCN(C)C2	ZINC000000066623	28/90/52/170289052	BLLSMPCWRPCBDL-UHFFFAOYSA-N	1	240.328	BD	1.495	0	Anodyne	ref	BDAARO	CCOC(=O)c1c(N)sc2c1CC[N@H+](C)C2	 
CC(=O)CS(=O)(=O)c1ccc(C)cc1	ZINC000000067337	67/24/31/342672431	NDQXJNHOGLQSMB-UHFFFAOYSA-N	0	212.27	BD	1.358	0	Anodyne	ref	BDAARN	CC(=O)CS(=O)(=O)c1ccc(C)cc1	 
c1nc2sc3c(c2c2nnnn12)CCCC3	ZINC000000072455	67/27/01/342672701	YLSZEAJBPAOIRD-UHFFFAOYSA-N	0	231.284	BD	1.613	0	Anodyne	ref	BDAARN	c1nc2sc3c(c2c2nnnn12)CCCC3	 
COc1ccc(OC)c(/C=C/C(=O)O)c1	ZINC000000074092	16/36/30/175163630	JPQWWJZORKTMIZ-ZZXKWVIFSA-N	-1	208.213	BD	1.802	0	Anodyne	ref	BDAARM	COc1ccc(OC)c(/C=C/C(=O)[O-])c1	 
COc1ccc2[nH]c(C(=O)O)c(CCN)c2c1	ZINC000000075083	27/26/22/188272622	FBEQOUNJJYSFJU-UHFFFAOYSA-N	0	234.255	BD	1.376	0	Anodyne	ref	BDAARN	COc1ccc2[nH]c(C(=O)[O-])c(CC[NH3+])c2c1	 
CCOC(=O)c1sc2ncnc(N)c2c1C	ZINC000000075913	31/09/27/170310927	HWZSSWNTLPLHMF-UHFFFAOYSA-N	0	237.284	BD	1.759	0	Anodyne	ref	BDAARN	CCOC(=O)c1sc2ncnc(N)c2c1C	 
O=C(O)CCCN1C(=O)c2ccccc2C1=O	ZINC000000080458	82/46/85/383824685	HMKSXJBFBVGLJJ-UHFFFAOYSA-N	-1	233.223	BD	1.147	0	Anodyne	ref	BDAARM	O=C([O-])CCCN1C(=O)c2ccccc2C1=O	 
CCN(CC)CCn1c(N)nc2ccccc21	ZINC000000081439	67/34/85/342673485	LNQFKLQTSNFJIH-UHFFFAOYSA-N	1	232.331	BD	1.96	1	Anodyne	mid	BDAAMO	CC[NH+](CC)CCn1c(N)nc2ccccc21	 
CCN(CC)CCn1c(N)nc2ccccc21	ZINC000000081439	67/34/83/342673483	LNQFKLQTSNFJIH-UHFFFAOYSA-N	2	232.331	BD	1.96	0	Anodyne	ref	BDAARP	CC[NH+](CC)CCn1c(N)[nH+]c2ccccc21	 
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
O=C(O)Cn1c(=O)sc2ccccc21	ZINC000000088574	82/40/15/383824015	SXOCCTHWTPGZHT-UHFFFAOYSA-N	-1	209.226	BD	1.148	0	Anodyne	ref	BDAARM	O=C([O-])Cn1c(=O)sc2ccccc21	 
COc1ccc2[nH]c3c(c2c1)CCNC3=O	ZINC000000088576	20/20/76/175202076	PWARHDUWOJUADN-UHFFFAOYSA-N	0	216.24	BD	1.462	0	Anodyne	ref	BDAARN	COc1ccc2[nH]c3c(c2c1)CCNC3=O	 
Cc1nn(CC#N)c(C)c1Br	ZINC000000095277	38/48/06/180384806	QQTALTIGHKIMSM-UHFFFAOYSA-N	0	214.066	BD	1.786	0	Mild	ref	BDEARN	Cc1nn(CC#N)c(C)c1Br	 
O=C1C=CC(=O)N1c1ccc(Cl)cc1	ZINC000000096640	67/42/02/342674202	FPZQYYXSOJSITC-UHFFFAOYSA-N	0	207.616	BD	1.769	0	Anodyne	ref	BDAARN	O=C1C=CC(=O)N1c1ccc(Cl)cc1	 
O=C1C=CC(=O)N1c1ccccc1Cl	ZINC000000096687	67/39/58/342673958	KPQOXMCRYWDRSB-UHFFFAOYSA-N	0	207.616	BD	1.769	0	Anodyne	ref	BDAARN	O=C1C=CC(=O)N1c1ccccc1Cl	 
O=C1C=CC(=O)N1c1cccc(Cl)c1	ZINC000000096691	67/40/61/342674061	QDEQBRUNBFJJPW-UHFFFAOYSA-N	0	207.616	BD	1.769	0	Anodyne	ref	BDAARN	O=C1C=CC(=O)N1c1cccc(Cl)c1	 
COC(=O)c1cc(-n2cnnn2)ccc1Cl	ZINC000000099915	82/67/40/383826740	OXBZNEZECIIASU-UHFFFAOYSA-N	0	238.634	BD	1.102	0	Anodyne	ref	BDAARN	COC(=O)c1cc(-n2cnnn2)ccc1Cl	 
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	 
OCCN(CCO)c1cccc(Cl)c1	ZINC000000105298	06/86/89/183068689	MVQUJEUCFOGFJU-UHFFFAOYSA-N	0	215.68	BD	1.131	0	Anodyne	ref	BDAARN	OCCN(CCO)c1cccc(Cl)c1	 
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
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2	ZINC000000106370	82/81/16/383828116	XBMPXAYRLNNWET-ASZHBFLOSA-N	-1	237.299	BD	1.546	0	Anodyne	ref	BDAARM	CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2	 
O=C(O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000000106540	67/48/01/342674801	GHTSPNBSVDWGED-QMMMGPOBSA-N	-1	205.213	BD	1.124	0	Anodyne	ref	BDAARM	O=C([O-])[C@H]1CC(=O)N(c2ccccc2)C1	 
O=C(O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000000106544	67/45/54/342674554	GHTSPNBSVDWGED-MRVPVSSYSA-N	-1	205.213	BD	1.124	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CC(=O)N(c2ccccc2)C1	 
O=C(O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2	ZINC000000107471	82/82/14/383828214	JFMDWSCOQLUOCZ-LRSDLPTKSA-N	-1	210.273	BD	1.792	0	Anodyne	ref	BDAARM	O=C([O-])CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2	in-vitro
O=C(O)CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000000110680	82/79/16/383827916	ZEYRBFCQZXZIQU-UHFFFAOYSA-N	-1	248.687	BD	1.588	0	Anodyne	ref	BDAARM	O=C([O-])CCS(=O)(=O)c1ccc(Cl)cc1	 
Cc1cc(C)cc(N2C[C@@H](C(=O)O)CC2=O)c1	ZINC000000112610	67/50/28/342675028	ZVYUEYJQRCOJDI-JTQLQIEISA-N	-1	233.267	BD	1.741	0	Anodyne	ref	BDAARM	Cc1cc(C)cc(N2C[C@@H](C(=O)[O-])CC2=O)c1	 
Cc1cc(C)cc(N2C[C@H](C(=O)O)CC2=O)c1	ZINC000000112614	90/59/85/177905985	ZVYUEYJQRCOJDI-SNVBAGLBSA-N	-1	233.267	BD	1.741	0	Anodyne	ref	BDAARM	Cc1cc(C)cc(N2C[C@H](C(=O)[O-])CC2=O)c1	 
Cc1ccc(CN2C[C@@H](C(=O)O)CC2=O)cc1	ZINC000000113110	67/51/64/342675164	NBQXYAJLUDQSNV-NSHDSACASA-N	-1	233.267	BD	1.428	0	Anodyne	ref	BDAARM	Cc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1	 
Cc1ccc(CN2C[C@H](C(=O)O)CC2=O)cc1	ZINC000000113114	67/50/00/342675000	NBQXYAJLUDQSNV-LLVKDONJSA-N	-1	233.267	BD	1.428	0	Anodyne	ref	BDAARM	Cc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1	 
O=C(Cn1cncn1)c1ccc(Cl)cc1	ZINC000000114273	07/25/43/182072543	ZDGXDQYBMSMZLC-UHFFFAOYSA-N	0	221.647	BD	1.814	0	Anodyne	ref	BDAARN	O=C(Cn1cncn1)c1ccc(Cl)cc1	 
CC(C)(C)C(=O)CN1C(=O)c2ccccc2C1=O	ZINC000000114462	67/49/78/342674978	HAFOAXRAJBJRMB-UHFFFAOYSA-N	0	245.278	BD	1.898	0	Anodyne	ref	BDAARN	CC(C)(C)C(=O)CN1C(=O)c2ccccc2C1=O	 
COc1ccc(/C=C/C(=O)O)cc1OC	ZINC000000116202	04/75/59/175047559	HJBWJAPEBGSQPR-GQCTYLIASA-N	-1	208.213	BD	1.802	0	Anodyne	ref	BDAARM	COc1ccc(/C=C/C(=O)[O-])cc1OC	in-man endogenous
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	 
Cn1cc(C(=O)O)c(=O)c2ccccc21	ZINC000000121083	67/54/02/342675402	WBHKMAPRABNYBR-UHFFFAOYSA-N	0	203.197	BD	1.237	2	Anodyne	low	BDAALN	Cn1cc(C(=O)O)c(=O)c2ccccc21	 
Cn1cc(C(=O)O)c(=O)c2ccccc21	ZINC000000121083	67/54/01/342675401	WBHKMAPRABNYBR-UHFFFAOYSA-N	-1	203.197	BD	1.237	0	Anodyne	ref	BDAARM	Cn1cc(C(=O)[O-])c(=O)c2ccccc21	 
O=C(O)CCn1c(=O)oc2ccccc21	ZINC000000121380	83/11/53/383831153	BMLRDVCKJXMASM-UHFFFAOYSA-N	-1	207.185	BD	1.069	0	Anodyne	ref	BDAARM	O=C([O-])CCn1c(=O)oc2ccccc21	in-vitro
CNc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000000121456	82/97/71/383829771	JILCEWWZTBBOFS-UHFFFAOYSA-N	0	217.272	BD	1.526	0	Anodyne	ref	BDAARN	CNc1c(C)n(C)n(-c2ccccc2)c1=O	world endogenous
O=C(O)C1CCN(C(=O)c2ccccc2)CC1	ZINC000000128620	82/98/40/383829840	ZTGMNCCDDKBPML-UHFFFAOYSA-N	-1	233.267	BD	1.623	0	Anodyne	ref	BDAARM	O=C([O-])C1CCN(C(=O)c2ccccc2)CC1	 
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)O)CC1=O	ZINC000000128960	02/22/76/176022276	CFGKWSDAMXTRHE-ONGXEEELSA-N	-1	233.267	BD	1.681	0	Anodyne	ref	BDAARM	C[C@@H](c1ccccc1)N1C[C@@H](C(=O)[O-])CC1=O	 
C[C@H](c1ccccc1)N1C[C@@H](C(=O)O)CC1=O	ZINC000000128963	03/99/01/177039901	CFGKWSDAMXTRHE-KOLCDFICSA-N	-1	233.267	BD	1.681	0	Anodyne	ref	BDAARM	C[C@H](c1ccccc1)N1C[C@@H](C(=O)[O-])CC1=O	 
C[C@@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O	ZINC000000128967	02/15/40/176021540	CFGKWSDAMXTRHE-GXSJLCMTSA-N	-1	233.267	BD	1.681	0	Anodyne	ref	BDAARM	C[C@@H](c1ccccc1)N1C[C@H](C(=O)[O-])CC1=O	 
C[C@H](c1ccccc1)N1C[C@H](C(=O)O)CC1=O	ZINC000000128970	03/99/28/177039928	CFGKWSDAMXTRHE-MWLCHTKSSA-N	-1	233.267	BD	1.681	0	Anodyne	ref	BDAARM	C[C@H](c1ccccc1)N1C[C@H](C(=O)[O-])CC1=O	 
CCOc1ccc([C@H](N)CC(=O)O)cc1	ZINC000000129867	67/60/98/342676098	NKVGGOUCUNVPBF-SNVBAGLBSA-N	0	209.245	BD	1.56	0	Anodyne	ref	BDAARN	CCOc1ccc([C@H]([NH3+])CC(=O)[O-])cc1	 
CCOc1ccc([C@@H](N)CC(=O)O)cc1	ZINC000000129868	67/59/61/342675961	NKVGGOUCUNVPBF-JTQLQIEISA-N	0	209.245	BD	1.56	0	Anodyne	ref	BDAARN	CCOc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1	 
N[C@H](CC(=O)O)c1ccc(Br)cc1	ZINC000000129901	67/61/20/342676120	RBOUYDUXPMAYMJ-MRVPVSSYSA-N	0	244.088	BD	1.924	0	Anodyne	ref	BDAARN	[NH3+][C@H](CC(=O)[O-])c1ccc(Br)cc1	 
N[C@@H](CC(=O)O)c1ccc(Br)cc1	ZINC000000129903	67/61/42/342676142	RBOUYDUXPMAYMJ-QMMMGPOBSA-N	0	244.088	BD	1.924	0	Anodyne	ref	BDAARN	[NH3+][C@@H](CC(=O)[O-])c1ccc(Br)cc1	 
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
Clc1nsnc1N1CCOCC1	ZINC000000131479	67/63/42/342676342	LAUCCQWGVCJGFT-UHFFFAOYSA-N	0	205.67	BD	1.028	0	Anodyne	ref	BDAARN	Clc1nsnc1N1CCOCC1	in-vitro
OC1(c2ccc(Cl)cc2)CCNCC1	ZINC000000132448	02/31/61/183023161	LZAYOZUFUAMFLD-UHFFFAOYSA-N	1	211.692	BD	1.911	0	Anodyne	ref	BDAARO	OC1(c2ccc(Cl)cc2)CC[NH2+]CC1	world
CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000133329	19/73/93/170197393	NGRXSVFCLHVGKU-UHFFFAOYSA-N	-1	237.211	BD	1.731	0	Bother	ref	BDBARM	CCOC(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1	 
Nc1ccccc1C(=O)N1CCCCC1	ZINC000000134245	67/63/40/342676340	YJTQPHOSNYIGPC-UHFFFAOYSA-N	0	204.273	BD	1.895	0	Anodyne	ref	BDAARN	Nc1ccccc1C(=O)N1CCCCC1	 
O=C(O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC000000139277	67/66/24/342676624	PBIAEAYJEYOSMG-ZETCQYMHSA-N	-1	239.658	BD	1.778	0	Anodyne	ref	BDAARM	O=C([O-])[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	 
O=C(O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	ZINC000000139281	67/66/85/342676685	PBIAEAYJEYOSMG-SSDOTTSWSA-N	-1	239.658	BD	1.778	0	Anodyne	ref	BDAARM	O=C([O-])[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	 
Nc1ncnc2ccc(Br)cc12	ZINC000000140095	81/08/98/181810898	FHCKWLXHKAPOBN-UHFFFAOYSA-N	0	224.061	BD	1.974	0	Anodyne	ref	BDAARN	Nc1ncnc2ccc(Br)cc12	 
CCOC(=O)C[C@H](N)c1ccc(OC)cc1	ZINC000000140751	23/40/40/170234040	UFUNPGDQFVGWDX-NSHDSACASA-N	0	223.272	BD	1.648	3	Anodyne	high	BDAAHN	CCOC(=O)C[C@H](N)c1ccc(OC)cc1	 
CCOC(=O)C[C@H](N)c1ccc(OC)cc1	ZINC000000140751	23/40/39/170234039	UFUNPGDQFVGWDX-NSHDSACASA-N	1	223.272	BD	1.648	0	Anodyne	ref	BDAARO	CCOC(=O)C[C@H]([NH3+])c1ccc(OC)cc1