O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1F	ZINC000000001457	66/94/85/342669485	ODKNJVUHOIMIIZ-VQVTYTSYSA-N	-1	246.194	BA	-1.684	3	Anodyne	high	BAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1F	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1F	ZINC000000001457	66/94/83/342669483	ODKNJVUHOIMIIZ-VQVTYTSYSA-N	0	246.194	BA	-1.684	0	Anodyne	ref	BAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1F	investigational
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000000002159	84/64/78/355846478	IQFYYKKMVGJFEH-CSMHCCOUSA-N	0	242.231	BA	-1.514	0	Anodyne	ref	BAAARN	Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	fda
Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1	ZINC000000004253	77/51/25/345775125	CKTSBUTUHBMZGZ-CHKWXVPMSA-N	0	227.22	BA	-1.534	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1	in-man
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000000025672	41/09/41/574410941	IQFYYKKMVGJFEH-XLPZGREQSA-N	0	242.231	BA	-1.514	0	Anodyne	ref	BAAARN	Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	investigational endogenous
Nc1ccn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)n1	ZINC000000057290	77/51/18/345775118	CKTSBUTUHBMZGZ-HAFWLYHUSA-N	0	227.22	BA	-1.534	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)n1	 
C1C[N+]2(CCN1)CC[N+]1(CCNCC1)CC2	ZINC000000254821	58/24/83/187582483	RAWPYHHZGFGCCM-UHFFFAOYSA-N	2	226.368	BA	-1.16	0	Bother	ref	BABARP	C1C[N+]2(CCN1)CC[N+]1(CCNCC1)CC2	 
O=C(O)CCC(=O)N1CCNC(=O)C1	ZINC000000359169	86/03/31/383860331	MGEFIOXTZYMZPX-UHFFFAOYSA-N	-1	200.194	BA	-1.19	0	Anodyne	ref	BAAARM	O=C([O-])CCC(=O)N1CCNC(=O)C1	 
O=C(O)CNC(=O)c1nc2ncccn2n1	ZINC000000373243	46/59/33/182465933	OPVKAJXZPPRJFN-UHFFFAOYSA-N	-1	221.176	BA	-1.061	0	Anodyne	ref	BAAARM	O=C([O-])CNC(=O)c1nc2ncccn2n1	 
Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000001842580	71/28/80/342712880	IQFYYKKMVGJFEH-FXQIFTODSA-N	0	242.231	BA	-1.514	0	Anodyne	ref	BAAARN	Cc1cn([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O	in-vitro
NCCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000002537895	39/42/01/181394201	BTHGLZZLEALEDO-UHFFFAOYSA-N	1	213.197	BA	-1.134	0	Bother	ref	BABARO	[NH3+]CCNC(=O)Cn1cc([N+](=O)[O-])cn1	 
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000002572653	02/52/18/346025218	IQFYYKKMVGJFEH-PRJMDXOYSA-N	0	242.231	BA	-1.514	0	Anodyne	ref	BAAARN	Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	in-vitro
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000002583632	07/82/99/363078299	UHDGCWIWMRVCDJ-XVFCMESISA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1	investigational endogenous
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003795098	76/08/74/181760874	UHDGCWIWMRVCDJ-CCXZUQQUSA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	fda endogenous
NCCCC(O)(P(=O)(O)O)P(=O)(O)O	ZINC000003801919	41/20/10/574412010	OGSPWJRAVKPPFI-UHFFFAOYSA-N	-3	249.096	BA	-1.273	3	Anodyne	high	BAAAHL	[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	fda endogenous
NCCCC(O)(P(=O)(O)O)P(=O)(O)O	ZINC000003801919	41/20/07/574412007	OGSPWJRAVKPPFI-UHFFFAOYSA-N	-1	249.096	BA	-1.273	2	Anodyne	low	BAAALM	[NH3+]CCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	fda endogenous
NCCCC(O)(P(=O)(O)O)P(=O)(O)O	ZINC000003801919	41/20/06/574412006	OGSPWJRAVKPPFI-UHFFFAOYSA-N	-1	249.096	BA	-1.273	2	Anodyne	low	BAAALM	[NH3+]CCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	fda endogenous
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F	ZINC000003813010	64/95/31/359649531	ODKNJVUHOIMIIZ-RRKCRQDMSA-N	-1	246.194	BA	-1.684	3	Anodyne	high	BAAAHM	O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F	fda
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F	ZINC000003813010	64/95/14/359649514	ODKNJVUHOIMIIZ-RRKCRQDMSA-N	0	246.194	BA	-1.684	0	Anodyne	ref	BAAARN	O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F	fda
Nc1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003830625	73/78/39/342737839	UHDGCWIWMRVCDJ-UCVXFZOQSA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	investigational
Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003830626	76/11/48/181761148	UHDGCWIWMRVCDJ-VXUIKNBNSA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1F	ZINC000003830846	96/96/64/182969664	ODKNJVUHOIMIIZ-ACZMJKKPSA-N	-1	246.194	BA	-1.684	3	Anodyne	high	BAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1F	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1F	ZINC000003830846	96/96/62/182969662	ODKNJVUHOIMIIZ-ACZMJKKPSA-N	0	246.194	BA	-1.684	0	Anodyne	ref	BAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1F	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	ZINC000003977743	74/02/34/342740234	ODKNJVUHOIMIIZ-QYNIQEEDSA-N	-1	246.194	BA	-1.684	3	Anodyne	high	BAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	ZINC000003977743	74/02/33/342740233	ODKNJVUHOIMIIZ-QYNIQEEDSA-N	0	246.194	BA	-1.684	0	Anodyne	ref	BAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	investigational
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	ZINC000003977744	74/02/69/342740269	ODKNJVUHOIMIIZ-FSDSQADBSA-N	-1	246.194	BA	-1.684	3	Anodyne	high	BAAAHM	O=c1[n-]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	in-man
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	ZINC000003977744	74/02/68/342740268	ODKNJVUHOIMIIZ-FSDSQADBSA-N	0	246.194	BA	-1.684	0	Anodyne	ref	BAAARN	O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1F	in-man
Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000003978018	74/01/76/342740176	UHDGCWIWMRVCDJ-GVYWOMJSSA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1F	ZINC000004045293	74/12/60/342741260	ODKNJVUHOIMIIZ-XVMARJQXSA-N	-1	246.194	BA	-1.684	3	Anodyne	high	BAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1F	investigational
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1F	ZINC000004045293	74/12/57/342741257	ODKNJVUHOIMIIZ-XVMARJQXSA-N	0	246.194	BA	-1.684	0	Anodyne	ref	BAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1F	investigational
O=C(O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004261830	18/60/82/372186082	OPGJGRWULGFTOS-UHFFFAOYSA-N	-1	201.094	BA	-1.33	2	Bother	low	BABALM	O=C([O-])c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	in-vitro
O=C(O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004261830	18/60/77/372186077	OPGJGRWULGFTOS-UHFFFAOYSA-N	-2	201.094	BA	-1.33	0	Bother	ref	BABARL	O=C([O-])c1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	in-vitro
Nc1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1	ZINC000005239365	76/09/02/342760902	CKTSBUTUHBMZGZ-ATRFCDNQSA-N	0	227.22	BA	-1.534	0	Anodyne	ref	BAAARN	Nc1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1	in-vitro
Cc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000005765078	76/97/61/342769761	IQFYYKKMVGJFEH-BWZBUEFSSA-N	0	242.231	BA	-1.514	0	Anodyne	ref	BAAARN	Cc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	in-vitro
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000006072455	77/33/45/342773345	IQFYYKKMVGJFEH-RNJXMRFFSA-N	0	242.231	BA	-1.514	0	Anodyne	ref	BAAARN	Cc1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	in-vitro
Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1	ZINC000006091575	02/97/96/363029796	UHDGCWIWMRVCDJ-PXBUCIJWSA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1	investigational biogenic
Nc1ccn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1	ZINC000011612315	84/20/99/342842099	CKTSBUTUHBMZGZ-JKMUOGBPSA-N	0	227.22	BA	-1.534	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1	 
Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000012336757	76/09/79/181760979	UHDGCWIWMRVCDJ-YDKYIBAVSA-N	0	243.219	BA	-2.563	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1	investigational biogenic
O=C(O)CCn1nnnc1CN1CCOCC1	ZINC000012363420	31/25/71/384312571	PGYQZWRRWBGWSU-UHFFFAOYSA-N	-1	241.251	BA	-1.02	0	Anodyne	ref	BAAARM	O=C([O-])CCn1nnnc1CN1CCOCC1	 
Nc1cc(=O)[nH]c(=O)n1CCN1CCOCC1	ZINC000013639034	86/91/79/342869179	QDQSMKLZQUKEDL-UHFFFAOYSA-N	1	240.263	BA	-1.549	2	Anodyne	low	BAAALO	Nc1cc(=O)[nH]c(=O)n1CC[NH+]1CCOCC1	 
Nc1cc(=O)[nH]c(=O)n1CCN1CCOCC1	ZINC000013639034	86/91/78/342869178	QDQSMKLZQUKEDL-UHFFFAOYSA-N	0	240.263	BA	-1.549	0	Anodyne	ref	BAAARN	Nc1cc(=O)[nH]c(=O)n1CCN1CCOCC1	 
Nc1ccn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	ZINC000018286010	93/59/98/342935998	CKTSBUTUHBMZGZ-BBVRLYRLSA-N	0	227.22	BA	-1.534	0	Anodyne	ref	BAAARN	Nc1ccn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	 
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	ZINC000018286013	76/16/64/181761664	CKTSBUTUHBMZGZ-SHYZEUOFSA-N	0	227.22	BA	-1.534	0	Anodyne	ref	BAAARN	Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	in-man endogenous
O=C(CN1CCNCC1)N1CCOCC1	ZINC000019702177	95/40/32/342954032	LISKJKUMLVQGKE-UHFFFAOYSA-N	0	213.281	BA	-1.25	3	Anodyne	high	BAAAHN	O=C(CN1CCNCC1)N1CCOCC1	 
O=C(CN1CCNCC1)N1CCOCC1	ZINC000019702177	95/40/30/342954030	LISKJKUMLVQGKE-UHFFFAOYSA-N	1	213.281	BA	-1.25	0	Anodyne	ref	BAAARO	O=C(CN1CC[NH2+]CC1)N1CCOCC1	 
COCCNC(=O)CN1CCNCC1	ZINC000019702179	32/07/63/174320763	VJFDFRNQDABKII-UHFFFAOYSA-N	0	201.27	BA	-1.346	3	Anodyne	high	BAAAHN	COCCNC(=O)CN1CCNCC1	 
COCCNC(=O)CN1CCNCC1	ZINC000019702179	32/07/60/174320760	VJFDFRNQDABKII-UHFFFAOYSA-N	1	201.27	BA	-1.346	0	Anodyne	ref	BAAARO	COCCNC(=O)CN1CC[NH2+]CC1	 
CN(C)CCNC(=O)CN1CCNCC1	ZINC000019702185	53/41/92/384534192	CCNQJRWGVWUMCY-UHFFFAOYSA-N	1	214.313	BA	-1.431	3	Anodyne	high	BAAAHO	CN(C)CCNC(=O)CN1CC[NH2+]CC1	 
CN(C)CCNC(=O)CN1CCNCC1	ZINC000019702185	53/41/83/384534183	CCNQJRWGVWUMCY-UHFFFAOYSA-N	2	214.313	BA	-1.431	0	Anodyne	ref	BAAARP	C[NH+](C)CCNC(=O)CN1CC[NH2+]CC1	 
N/C(=N\[N+](=O)[O-])NCCC[C@H](N)C(=O)O	ZINC000019796052	18/25/53/181182553	MRAUNPAHJZDYCK-BYPYZUCNSA-N	0	219.201	BA	-1.725	0	Mild	ref	BAEARN	NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)[O-]	in-vivo
CN1CCN(C(=O)CN2CCNCC2)CC1	ZINC000022933404	06/73/46/173067346	YKBNLKDKAFTDRN-UHFFFAOYSA-N	0	226.324	BA	-1.334	3	Anodyne	high	BAAAHN	CN1CCN(C(=O)CN2CCNCC2)CC1	 
CN1CCN(C(=O)CN2CCNCC2)CC1	ZINC000022933404	06/73/44/173067344	YKBNLKDKAFTDRN-UHFFFAOYSA-N	2	226.324	BA	-1.334	1	Anodyne	mid	BAAAMP	C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1	 
CN1CCN(C(=O)CN2CCNCC2)CC1	ZINC000022933404	06/73/41/173067341	YKBNLKDKAFTDRN-UHFFFAOYSA-N	1	226.324	BA	-1.334	0	Anodyne	ref	BAAARO	CN1CCN(C(=O)CN2CC[NH2+]CC2)CC1	 
NC(=O)[C@@H](NC(=O)c1ccncc1)C(N)=S	ZINC000032918974	26/43/38/181264338	ZCGGNTBIIBRGNE-ZCFIWIBFSA-N	0	238.272	BA	-1.049	0	Anodyne	ref	BAAARN	NC(=O)[C@@H](NC(=O)c1ccncc1)C(N)=S	 
NC(=O)[C@H](NC(=O)c1ccncc1)C(N)=S	ZINC000032918976	27/70/57/181277057	ZCGGNTBIIBRGNE-LURJTMIESA-N	0	238.272	BA	-1.049	0	Anodyne	ref	BAAARN	NC(=O)[C@H](NC(=O)c1ccncc1)C(N)=S	 
COCCNC(=O)c1nc(CN)no1	ZINC000034924895	32/95/30/174329530	KLUWTZRYXXTHTK-UHFFFAOYSA-N	1	200.198	BA	-1.095	1	Anodyne	mid	BAAAMO	COCCNC(=O)c1nc(C[NH3+])no1	 
COCCNC(=O)c1nc(CN)no1	ZINC000034924895	32/95/27/174329527	KLUWTZRYXXTHTK-UHFFFAOYSA-N	0	200.198	BA	-1.095	0	Anodyne	ref	BAAARN	COCCNC(=O)c1nc(CN)no1	 
NCc1noc(C(=O)N2CC[C@H](O)C2)n1	ZINC000034924897	28/03/73/343280373	WYRDQLSPXCATMA-YFKPBYRVSA-N	1	212.209	BA	-1.265	1	Anodyne	mid	BAAAMO	[NH3+]Cc1noc(C(=O)N2CC[C@H](O)C2)n1	 
NCc1noc(C(=O)N2CC[C@H](O)C2)n1	ZINC000034924897	28/03/71/343280371	WYRDQLSPXCATMA-YFKPBYRVSA-N	0	212.209	BA	-1.265	0	Anodyne	ref	BAAARN	NCc1noc(C(=O)N2CC[C@H](O)C2)n1	 
CS(=O)(=O)NC1=NCN(C2CC2)CN1	ZINC000040387200	15/06/90/384150690	QJHWCWPFBMGXAV-UHFFFAOYSA-N	0	218.282	BA	-1.126	0	Anodyne	ref	BAAARN	CS(=O)(=O)NC1=NCN(C2CC2)CN1	 
C[C@H](O)Nc1nnc(N[C@@H](C)O)nn1	ZINC000040457307	00/32/38/177003238	ZKOHQEBJJVPHKB-ZXZARUISSA-N	-1	200.202	BA	-1.233	3	Anodyne	high	BAAAHM	C[C@H](O)Nc1nnc([N-][C@@H](C)O)nn1	 
C[C@H](O)Nc1nnc(N[C@@H](C)O)nn1	ZINC000040457307	00/32/36/177003236	ZKOHQEBJJVPHKB-ZXZARUISSA-N	-1	200.202	BA	-1.233	3	Anodyne	high	BAAAHM	C[C@H](O)[N-]c1nnc(N[C@@H](C)O)nn1	 
C[C@H](O)Nc1nnc(N[C@@H](C)O)nn1	ZINC000040457307	00/32/35/177003235	ZKOHQEBJJVPHKB-ZXZARUISSA-N	0	200.202	BA	-1.233	0	Anodyne	ref	BAAARN	C[C@H](O)Nc1nnc(N[C@@H](C)O)nn1	 
C[C@@H](O)Nc1nnc(N[C@@H](C)O)nn1	ZINC000040457308	15/50/18/384155018	ZKOHQEBJJVPHKB-QWWZWVQMSA-N	-1	200.202	BA	-1.233	3	Anodyne	high	BAAAHM	C[C@@H](O)[N-]c1nnc(N[C@@H](C)O)nn1	 
C[C@@H](O)Nc1nnc(N[C@@H](C)O)nn1	ZINC000040457308	15/50/12/384155012	ZKOHQEBJJVPHKB-QWWZWVQMSA-N	0	200.202	BA	-1.233	0	Anodyne	ref	BAAARN	C[C@@H](O)Nc1nnc(N[C@@H](C)O)nn1	 
C[C@H](O)Nc1nnc(N[C@H](C)O)nn1	ZINC000040457309	00/31/98/177003198	ZKOHQEBJJVPHKB-IMJSIDKUSA-N	-1	200.202	BA	-1.233	3	Anodyne	high	BAAAHM	C[C@H](O)[N-]c1nnc(N[C@H](C)O)nn1	 
C[C@H](O)Nc1nnc(N[C@H](C)O)nn1	ZINC000040457309	00/31/97/177003197	ZKOHQEBJJVPHKB-IMJSIDKUSA-N	0	200.202	BA	-1.233	0	Anodyne	ref	BAAARN	C[C@H](O)Nc1nnc(N[C@H](C)O)nn1	 
CN1C(O)N(C)C2C1N(C)C(O)N2C	ZINC000063772494	97/34/98/172973498	HRMOIQMEBIVIDG-UHFFFAOYSA-N	0	202.258	BA	-2.055	0	Anodyne	ref	BAAARN	CN1C(O)N(C)C2C1N(C)C(O)N2C	 
COCCNC(=O)C[C@H]1NCCNC1=O	ZINC000066152731	32/20/51/174322051	KZAFXCPQPXOEHW-SSDOTTSWSA-N	1	215.253	BA	-1.773	2	Anodyne	low	BAAALO	COCCNC(=O)C[C@H]1[NH2+]CCNC1=O	 
COCCNC(=O)C[C@H]1NCCNC1=O	ZINC000066152731	32/20/49/174322049	KZAFXCPQPXOEHW-SSDOTTSWSA-N	0	215.253	BA	-1.773	0	Anodyne	ref	BAAARN	COCCNC(=O)C[C@H]1NCCNC1=O	 
COCCNC(=O)C[C@@H]1NCCNC1=O	ZINC000066152732	32/12/99/174321299	KZAFXCPQPXOEHW-ZETCQYMHSA-N	1	215.253	BA	-1.773	2	Anodyne	low	BAAALO	COCCNC(=O)C[C@@H]1[NH2+]CCNC1=O	 
COCCNC(=O)C[C@@H]1NCCNC1=O	ZINC000066152732	32/12/97/174321297	KZAFXCPQPXOEHW-ZETCQYMHSA-N	0	215.253	BA	-1.773	0	Anodyne	ref	BAAARN	COCCNC(=O)C[C@@H]1NCCNC1=O	 
Cc1nn(CC(=O)O)c(C)[n+]1CC(=O)O	ZINC000066324323	38/64/65/180386465	YVNHSBGUKWKREJ-UHFFFAOYSA-O	-1	214.201	BA	-1.043	0	Mild	ref	BAEARM	Cc1nn(CC(=O)[O-])c(C)[n+]1CC(=O)[O-]	 
COCC(=O)N1CCOC[C@@H]1C(=O)O	ZINC000077010553	04/32/01/174043201	GFWUGSLJIQKWDU-ZCFIWIBFSA-N	-1	203.194	BA	-1.055	0	Anodyne	ref	BAAARM	COCC(=O)N1CCOC[C@@H]1C(=O)[O-]	 
COCC(=O)N1CCOC[C@H]1C(=O)O	ZINC000077010557	04/30/64/174043064	GFWUGSLJIQKWDU-LURJTMIESA-N	-1	203.194	BA	-1.055	0	Anodyne	ref	BAAARM	COCC(=O)N1CCOC[C@H]1C(=O)[O-]	 
COCCNC(=O)C[C@@H]1C(=O)Nc2ncnn21	ZINC000095117664	32/15/80/174321580	HHJGTUCSIJRLRM-ZCFIWIBFSA-N	0	239.235	BA	-1.076	3	Anodyne	high	BAAAHN	COCCNC(=O)CC1C(=O)Nc2ncnn21	 
COCCNC(=O)C[C@@H]1C(=O)Nc2ncnn21	ZINC000095117664	32/15/79/174321579	HHJGTUCSIJRLRM-ZCFIWIBFSA-N	0	239.235	BA	-1.076	0	Anodyne	ref	BAAARN	COCCNC(=O)C[C@@H]1C(=O)Nc2ncnn21	 
COCCNC(=O)C[C@H]1C(=O)Nc2ncnn21	ZINC000095117665	32/24/28/174322428	HHJGTUCSIJRLRM-LURJTMIESA-N	0	239.235	BA	-1.076	3	Anodyne	high	BAAAHN	COCCNC(=O)CC1C(=O)Nc2ncnn21	 
COCCNC(=O)C[C@H]1C(=O)Nc2ncnn21	ZINC000095117665	32/24/26/174322426	HHJGTUCSIJRLRM-LURJTMIESA-N	0	239.235	BA	-1.076	0	Anodyne	ref	BAAARN	COCCNC(=O)C[C@H]1C(=O)Nc2ncnn21	 
O=C1C=C(NCCO)C(=O)C=C1NCCO	ZINC000100165141	62/13/59/384621359	TYYGENMUJKVMPL-UHFFFAOYSA-N	0	226.232	BA	-1.93	0	Mild	ref	BAEARN	O=C1C=C(NCCO)C(=O)C=C1NCCO	 
CCC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253375608	22/17/17/168221717	QJSPHXUCSUALES-JGVFFNPUSA-N	1	232.305	BA	-1.006	2	Anodyne	low	BAAALO	CCC(=O)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
CCC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253375608	22/17/16/168221716	QJSPHXUCSUALES-JGVFFNPUSA-N	0	232.305	BA	-1.006	0	Anodyne	ref	BAAARN	CCC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COCCN1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495432	31/15/91/174311591	DIMULMQZFMNJLO-DTWKUNHWSA-N	0	234.321	BA	-1.296	1	Anodyne	mid	BAAAMN	COCCN1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COCCN1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495432	31/15/90/174311590	DIMULMQZFMNJLO-DTWKUNHWSA-N	1	234.321	BA	-1.296	0	Anodyne	ref	BAAARO	COCCN1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
O=C(C1CC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495437	29/14/45/387291445	DPUSWVJANWFRIG-DTWKUNHWSA-N	1	244.316	BA	-1.006	2	Anodyne	low	BAAALO	O=C(C1CC1)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
O=C(C1CC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495437	29/14/38/387291438	DPUSWVJANWFRIG-DTWKUNHWSA-N	0	244.316	BA	-1.006	0	Anodyne	ref	BAAARN	O=C(C1CC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COCC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495598	04/25/61/174042561	JXJUPQCGWOYODI-JGVFFNPUSA-N	1	248.304	BA	-1.77	2	Anodyne	low	BAAALO	COCC(=O)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
COCC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495598	04/25/56/174042556	JXJUPQCGWOYODI-JGVFFNPUSA-N	0	248.304	BA	-1.77	0	Anodyne	ref	BAAARN	COCC(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COC(=O)CN1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495695	29/15/06/387291506	NXHKIXULYVITAJ-JGVFFNPUSA-N	0	248.304	BA	-1.77	1	Anodyne	mid	BAAAMN	COC(=O)CN1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COC(=O)CN1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495695	29/15/00/387291500	NXHKIXULYVITAJ-JGVFFNPUSA-N	1	248.304	BA	-1.77	0	Anodyne	ref	BAAARO	COC(=O)CN1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
CN(C)C(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495933	37/76/62/172377662	WQVSGFWIEGUVRB-JGVFFNPUSA-N	1	247.32	BA	-1.261	2	Anodyne	low	BAAALO	CN(C)C(=O)N1CC[NH2+][C@H]2CS(=O)(=O)C[C@H]21	 
CN(C)C(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	ZINC000253495933	37/76/60/172377660	WQVSGFWIEGUVRB-JGVFFNPUSA-N	0	247.32	BA	-1.261	0	Anodyne	ref	BAAARN	CN(C)C(=O)N1CCN[C@H]2CS(=O)(=O)C[C@H]21	 
COC(=O)Cn1nc(N)nc1C(=O)OC	ZINC000503600485	90/96/83/411909683	ZTFVCYCXKAKQEV-UHFFFAOYSA-N	0	214.181	BA	-1.18	0	Anodyne	ref	BAAARN	COC(=O)Cn1nc(N)nc1C(=O)OC