CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O	ZINC000000002086	66/95/54/342669554	FKENQMMABCRJMK-PHDIDXHHSA-N	-1	233.245	BB	-0.795	0	Anodyne	ref	BBAARM	CC1(C)[C@@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O	in-man
COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=CC[C@H]12	ZINC000000004358	41/09/34/574410934	AZKVWQKMDGGDSV-ZOFUNIGCSA-N	0	226.228	BB	-0.053	0	Anodyne	ref	BBAARN	COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=CC[C@H]12	in-man endogenous
Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1F	ZINC000000005472	66/94/50/342669450	XQSPYNMVSIKCOC-RITPCOANSA-N	0	247.251	BB	-0.455	0	Anodyne	ref	BBAARN	Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1F	in-vitro
Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1	ZINC000000012346	66/97/68/342669768	JTEGQNOMFQHVDC-NKWVEPMBSA-N	0	229.261	BB	-0.594	0	Anodyne	ref	BBAARN	Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1	fda
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1	ZINC000000039906	76/03/10/181760310	WREGKURFCTUGRC-POYBYMJQSA-N	0	211.221	BB	-0.505	0	Anodyne	ref	BBAARN	Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1	world
Nc1ccn([C@H]2CC[C@H](CO)O2)c(=O)n1	ZINC000000039908	05/77/63/344057763	WREGKURFCTUGRC-HTRCEHHLSA-N	0	211.221	BB	-0.505	0	Anodyne	ref	BBAARN	Nc1ccn([C@H]2CC[C@H](CO)O2)c(=O)n1	in-vitro
N/C(O)=N/S(=O)(=O)c1ccc(N)cc1	ZINC000000053961	18/44/21/181184421	WVAKABMNNSMCDK-UHFFFAOYSA-N	0	215.234	BB	-0.17	2	Mild	low	BBEALN	NC(O)=NS(=O)(=O)c1ccc(N)cc1	world
N/C(O)=N/S(=O)(=O)c1ccc(N)cc1	ZINC000000053961	18/44/19/181184419	WVAKABMNNSMCDK-UHFFFAOYSA-N	-1	215.234	BB	-0.17	1	Mild	mid	BBEAMM	NC([O-])=NS(=O)(=O)c1ccc(N)cc1	world
N/C(O)=N/S(=O)(=O)c1ccc(N)cc1	ZINC000000053961	18/44/15/181184415	WVAKABMNNSMCDK-UHFFFAOYSA-N	-1	215.234	BB	-0.17	1	Mild	mid	BBEAMM	NC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	world
N/C(O)=N/S(=O)(=O)c1ccc(N)cc1	ZINC000000053961	18/44/11/181184411	WVAKABMNNSMCDK-UHFFFAOYSA-N	-1	215.234	BB	-0.17	0	Mild	ref	BBEARM	NC(=O)N=S(=O)([O-])c1ccc(N)cc1	world
O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F	ZINC000000119895	67/53/52/342675352	WFWLQNSHRPWKFK-ZCFIWIBFSA-N	-1	200.169	BB	-0.015	3	Anodyne	high	BBAAHM	O=c1[n-]c(=O)n([C@H]2CCCO2)cc1F	world
O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F	ZINC000000119895	67/53/51/342675351	WFWLQNSHRPWKFK-ZCFIWIBFSA-N	0	200.169	BB	-0.015	0	Anodyne	ref	BBAARN	O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F	world
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000000137884	56/02/54/179560254	XNKLLVCARDGLGL-JGVFFNPUSA-N	0	224.216	BB	-0.709	0	Anodyne	ref	BBAARN	Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O	fda
Cc1cn([C@@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000000137887	61/73/81/359617381	XNKLLVCARDGLGL-YUMQZZPRSA-N	0	224.216	BB	-0.709	0	Anodyne	ref	BBAARN	Cc1cn([C@@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O	in-vitro
Cc1cn([C@H]2C=C[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000000137890	61/74/96/359617496	XNKLLVCARDGLGL-HTQZYQBOSA-N	0	224.216	BB	-0.709	0	Anodyne	ref	BBAARN	Cc1cn([C@H]2C=C[C@H](CO)O2)c(=O)[nH]c1=O	in-vitro
CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O	ZINC000000336994	96/96/51/190969651	FKENQMMABCRJMK-NTSWFWBYSA-N	-1	233.245	BB	-0.795	0	Anodyne	ref	BBAARM	CC1(C)[C@@H](C(=O)[O-])N2C(=O)C[C@@H]2S1(=O)=O	 
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O	ZINC000000897244	00/49/16/168004916	FKENQMMABCRJMK-RITPCOANSA-N	-1	233.245	BB	-0.795	0	Anodyne	ref	BBAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O	fda
N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1	ZINC000001482049	06/46/65/363064665	QXWYKJLNLSIPIN-JGVFFNPUSA-N	-1	213.189	BB	-0.457	3	Clean	high	BBCAHM	N[C@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1	fda
N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1	ZINC000001482049	06/46/56/363064656	QXWYKJLNLSIPIN-JGVFFNPUSA-N	0	213.189	BB	-0.457	0	Clean	ref	BBCARN	[NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1	fda
Cn1c([N+](=O)[O-])cnc1COC(N)=O	ZINC000001482167	85/92/89/355859289	PQFRTXSWDXZRRS-UHFFFAOYSA-N	0	200.154	BB	-0.076	0	Bother	ref	BBBARN	Cn1c([N+](=O)[O-])cnc1COC(N)=O	in-man
CS(=O)(=O)OCCCCOS(C)(=O)=O	ZINC000001530572	43/40/16/175434016	COVZYZSDYWQREU-UHFFFAOYSA-N	0	246.306	BB	-0.281	0	Mild	ref	BBEARN	CS(=O)(=O)OCCCCOS(C)(=O)=O	fda
NCCCNCCCCNCCCN	ZINC000001532734	38/25/33/181382533	PFNFFQXMRSDOHW-UHFFFAOYSA-N	4	202.346	BB	-0.357	0	Anodyne	ref	BBAARP	[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]	world endogenous
O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)O)N1	ZINC000001536869	70/24/86/342702486	UUTKICFRNVKFRG-PHDIDXHHSA-N	-1	244.272	BB	-0.749	0	Anodyne	ref	BBAARM	O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)[O-])N1	 
O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O	ZINC000001542148	90/61/28/383906128	ISEYJGQFXSTPMQ-BYPYZUCNSA-N	-4	226.121	BB	-0.27	3	Anodyne	high	BBAAHL	O=C([O-])CC[C@@H](CP(=O)([O-])[O-])C(=O)[O-]	in-vivo
O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O	ZINC000001542148	90/61/22/383906122	ISEYJGQFXSTPMQ-BYPYZUCNSA-N	-3	226.121	BB	-0.27	1	Anodyne	mid	BBAAML	O=C([O-])CC[C@@H](C[P@@](=O)([O-])O)C(=O)[O-]	in-vivo
O=C(O)CC[C@@H](CP(=O)(O)O)C(=O)O	ZINC000001542148	90/61/11/383906111	ISEYJGQFXSTPMQ-BYPYZUCNSA-N	-3	226.121	BB	-0.27	0	Anodyne	ref	BBAARL	O=C([O-])CC[C@@H](C[P@](=O)([O-])O)C(=O)[O-]	in-vivo
Nc1ccn([C@H]2CS[C@H](CO)O2)c(=O)n1	ZINC000001616230	70/60/49/342706049	JTEGQNOMFQHVDC-RNFRBKRXSA-N	0	229.261	BB	-0.594	0	Anodyne	ref	BBAARN	Nc1ccn([C@H]2CS[C@H](CO)O2)c(=O)n1	in-man
COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12	ZINC000001681500	51/75/50/173517550	AZKVWQKMDGGDSV-BCMRRPTOSA-N	0	226.228	BB	-0.053	0	Anodyne	ref	BBAARN	COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12	in-man endogenous
CC1=C(C(=O)O)N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000002012927	08/06/03/168080603	NVIAYEIXYQCDAN-FFWSUHOLSA-N	0	214.246	BB	-0.413	1	Anodyne	mid	BBAAMN	CC1=C(C(=O)[O-])N2C(=O)[C@H]([NH3+])[C@@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000002012927	08/06/01/168080601	NVIAYEIXYQCDAN-FFWSUHOLSA-N	-1	214.246	BB	-0.413	0	Anodyne	ref	BBAARM	CC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	 
N[C@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1	ZINC000002015034	71/44/09/342714409	QXWYKJLNLSIPIN-YUMQZZPRSA-N	-1	213.189	BB	-0.457	3	Clean	high	BBCAHM	N[C@H](C(=O)[O-])[C@@H](O)c1ccc(O)c(O)c1	 
N[C@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1	ZINC000002015034	71/44/08/342714408	QXWYKJLNLSIPIN-YUMQZZPRSA-N	-1	213.189	BB	-0.457	0	Clean	ref	BBCARM	[NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccc(O)c(O)c1	 
N[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1	ZINC000002015035	71/44/86/342714486	QXWYKJLNLSIPIN-SFYZADRCSA-N	-1	213.189	BB	-0.457	3	Clean	high	BBCAHM	N[C@@H](C(=O)[O-])[C@@H](O)c1ccc(O)c(O)c1	fda
N[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1	ZINC000002015035	71/44/85/342714485	QXWYKJLNLSIPIN-SFYZADRCSA-N	-1	213.189	BB	-0.457	0	Clean	ref	BBCARM	[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccc(O)c(O)c1	fda
N[C@@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1	ZINC000002015036	71/44/83/342714483	QXWYKJLNLSIPIN-HTQZYQBOSA-N	-1	213.189	BB	-0.457	3	Clean	high	BBCAHM	N[C@@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1	 
N[C@@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1	ZINC000002015036	71/44/82/342714482	QXWYKJLNLSIPIN-HTQZYQBOSA-N	-1	213.189	BB	-0.457	0	Clean	ref	BBCARM	[NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccc(O)c(O)c1	 
CC1=C(C(=O)O)N2C(=O)[C@H](N)[C@H]2SC1	ZINC000002169124	08/03/44/168080344	NVIAYEIXYQCDAN-MHTLYPKNSA-N	0	214.246	BB	-0.413	1	Anodyne	mid	BBAAMN	CC1=C(C(=O)[O-])N2C(=O)[C@H]([NH3+])[C@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@H](N)[C@H]2SC1	ZINC000002169124	08/03/43/168080343	NVIAYEIXYQCDAN-MHTLYPKNSA-N	-1	214.246	BB	-0.413	0	Anodyne	ref	BBAARM	CC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000002169125	08/04/71/168080471	NVIAYEIXYQCDAN-FBCQKBJTSA-N	0	214.246	BB	-0.413	1	Anodyne	mid	BBAAMN	CC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH3+])[C@@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000002169125	08/04/69/168080469	NVIAYEIXYQCDAN-FBCQKBJTSA-N	-1	214.246	BB	-0.413	0	Anodyne	ref	BBAARM	CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	 
CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1	ZINC000002169127	08/02/07/168080207	NVIAYEIXYQCDAN-CLZZGJSISA-N	0	214.246	BB	-0.413	1	Anodyne	mid	BBAAMN	CC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH3+])[C@H]2SC1	in-vitro
CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1	ZINC000002169127	08/02/04/168080204	NVIAYEIXYQCDAN-CLZZGJSISA-N	-1	214.246	BB	-0.413	0	Anodyne	ref	BBAARM	CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1	in-vitro
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O	ZINC000002548423	00/49/84/168004984	FKENQMMABCRJMK-WDSKDSINSA-N	-1	233.245	BB	-0.795	0	Anodyne	ref	BBAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@@H]2S1(=O)=O	 
Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F	ZINC000003629271	73/52/39/342735239	XQSPYNMVSIKCOC-NTSWFWBYSA-N	0	247.251	BB	-0.455	0	Anodyne	ref	BBAARN	Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F	fda
O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1	ZINC000003781245	73/76/46/342737646	UUTKICFRNVKFRG-WDSKDSINSA-N	-1	244.272	BB	-0.749	0	Anodyne	ref	BBAARM	O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)[O-])N1	world
CC(=O)Nc1nnc(S(N)(=O)=O)s1	ZINC000003813042	10/21/28/188102128	BZKPWHYZMXOIDC-UHFFFAOYSA-N	0	222.251	BB	-0.856	0	Anodyne	ref	BBAARN	CC(=O)Nc1nnc(S(N)(=O)=O)s1	fda
O=C(O)CSCC(=O)N[C@H]1CCSC1=O	ZINC000003824065	02/87/01/384028701	QGFORSXNKQLDNO-YFKPBYRVSA-N	-1	249.313	BB	-0.047	0	Anodyne	ref	BBAARM	O=C([O-])CSCC(=O)N[C@H]1CCSC1=O	world
CC(O)(P(=O)(O)O)P(=O)(O)O	ZINC000003830813	02/76/60/384027660	DBVJJBKOTRCVKF-UHFFFAOYSA-N	-4	206.027	BB	-0.992	3	Anodyne	high	BBAAHL	CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	fda
CC(O)(P(=O)(O)O)P(=O)(O)O	ZINC000003830813	02/76/50/384027650	DBVJJBKOTRCVKF-UHFFFAOYSA-N	-4	206.027	BB	-0.992	2	Anodyne	low	BBAALL	CC(O)(P(=O)([O-])O)[P@](=O)([O-])O	fda
CC(O)(P(=O)(O)O)P(=O)(O)O	ZINC000003830813	02/76/37/384027637	DBVJJBKOTRCVKF-UHFFFAOYSA-N	-2	206.027	BB	-0.992	2	Anodyne	low	BBAALL	CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	fda
NC(N)=NS(=O)(=O)c1ccc(N)cc1	ZINC000003873927	32/31/19/181323119	BRBKOPJOKNSWSG-UHFFFAOYSA-N	1	214.25	BB	-0.769	2	Mild	low	BBEALO	NC(=[NH2+])NS(=O)(=O)c1ccc(N)cc1	world
NC(N)=NS(=O)(=O)c1ccc(N)cc1	ZINC000003873927	32/31/16/181323116	BRBKOPJOKNSWSG-UHFFFAOYSA-N	0	214.25	BB	-0.769	0	Mild	ref	BBEARN	NC(N)=NS(=O)(=O)c1ccc(N)cc1	world
COC(=O)C1=CO[C@H](O)[C@H]2C(CO)=CC[C@H]12	ZINC000004720696	41/23/51/574412351	AZKVWQKMDGGDSV-HDBBIHSSSA-N	0	226.228	BB	-0.053	0	Anodyne	ref	BBAARN	COC(=O)C1=CO[C@H](O)[C@H]2C(CO)=CC[C@H]12	in-man endogenous
O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)O)N1	ZINC000005133409	75/87/64/342758764	UUTKICFRNVKFRG-NTSWFWBYSA-N	-1	244.272	BB	-0.749	0	Anodyne	ref	BBAARM	O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)[O-])N1	in-vitro
O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)O)N1	ZINC000005133422	75/88/85/342758885	UUTKICFRNVKFRG-RITPCOANSA-N	-1	244.272	BB	-0.749	0	Anodyne	ref	BBAARM	O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)[O-])N1	 
O=C(O)CSCC(=O)N[C@@H]1CCSC1=O	ZINC000005191096	10/66/58/384106658	QGFORSXNKQLDNO-RXMQYKEDSA-N	-1	249.313	BB	-0.047	0	Anodyne	ref	BBAARM	O=C([O-])CSCC(=O)N[C@@H]1CCSC1=O	world
O=S(=O)(O)CCCS(=O)(=O)O	ZINC000005225211	76/05/38/342760538	MGNVWUDMMXZUDI-UHFFFAOYSA-N	-2	204.225	BB	-0.848	0	Anodyne	ref	BBAARL	O=S(=O)([O-])CCCS(=O)(=O)[O-]	in-man
NC(N)=N/C(N)=N\CCc1ccccc1	ZINC000005851063	32/28/13/181322813	ICFJFFQQTFMIBG-UHFFFAOYSA-N	2	205.265	BB	-0.183	0	Mild	ref	BBEARP	NC(=[NH2+])NC(=[NH2+])NCCc1ccccc1	world
CC[C@@H](CO)NCCN[C@H](CC)CO	ZINC000006411960	15/26/95/384152695	AEUTYOVWOVBAKS-AOOOYVTPSA-N	2	204.314	BB	-0.293	2	Anodyne	low	BBAALP	CC[C@@H](CO)[NH2+]CC[NH2+][C@H](CC)CO	investigational
CC[C@@H](CO)NCCN[C@H](CC)CO	ZINC000006411960	15/26/86/384152686	AEUTYOVWOVBAKS-AOOOYVTPSA-N	1	204.314	BB	-0.293	1	Anodyne	mid	BBAAMO	CC[C@@H](CO)NCC[NH2+][C@H](CC)CO	investigational
CC[C@@H](CO)NCCN[C@H](CC)CO	ZINC000006411960	15/26/69/384152669	AEUTYOVWOVBAKS-AOOOYVTPSA-N	2	204.314	BB	-0.293	0	Anodyne	ref	BBAARP	CC[C@@H](CO)[NH2+]CCN[C@H](CC)CO	investigational
Nc1nc(=O)n([C@H]2CS[C@H](CO)O2)cc1F	ZINC000006524226	77/88/64/342778864	XQSPYNMVSIKCOC-PHDIDXHHSA-N	0	247.251	BB	-0.455	0	Anodyne	ref	BBAARN	Nc1nc(=O)n([C@H]2CS[C@H](CO)O2)cc1F	 
Nc1nc(=O)n([C@@H]2CS[C@@H](CO)O2)cc1F	ZINC000011616147	84/20/44/342842044	XQSPYNMVSIKCOC-WDSKDSINSA-N	0	247.251	BB	-0.455	0	Anodyne	ref	BBAARN	Nc1nc(=O)n([C@@H]2CS[C@@H](CO)O2)cc1F	in-vitro
O=C(O)CC[C@H](CP(=O)(O)O)C(=O)O	ZINC000013470225	36/13/85/384361385	ISEYJGQFXSTPMQ-SCSAIBSYSA-N	-4	226.121	BB	-0.27	3	Anodyne	high	BBAAHL	O=C([O-])CC[C@H](CP(=O)([O-])[O-])C(=O)[O-]	in-vivo
O=C(O)CC[C@H](CP(=O)(O)O)C(=O)O	ZINC000013470225	36/13/79/384361379	ISEYJGQFXSTPMQ-SCSAIBSYSA-N	-3	226.121	BB	-0.27	1	Anodyne	mid	BBAAML	O=C([O-])CC[C@H](C[P@@](=O)([O-])O)C(=O)[O-]	in-vivo
O=C(O)CC[C@H](CP(=O)(O)O)C(=O)O	ZINC000013470225	36/13/68/384361368	ISEYJGQFXSTPMQ-SCSAIBSYSA-N	-3	226.121	BB	-0.27	0	Anodyne	ref	BBAARL	O=C([O-])CC[C@H](C[P@](=O)([O-])O)C(=O)[O-]	in-vivo
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1	ZINC000013597823	86/81/60/342868160	BXZVVICBKDXVGW-NKWVEPMBSA-N	-1	236.231	BB	-0.211	3	Anodyne	high	BBAAHM	O=c1[n-]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1	fda
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1	ZINC000013597823	86/81/59/342868159	BXZVVICBKDXVGW-NKWVEPMBSA-N	0	236.231	BB	-0.211	0	Anodyne	ref	BBAARN	O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1	fda
O=c1[nH]cnc2c1ncn2[C@@H]1CC[C@@H](CO)O1	ZINC000013827997	87/27/41/342872741	BXZVVICBKDXVGW-BQBZGAKWSA-N	-1	236.231	BB	-0.211	3	Anodyne	high	BBAAHM	O=c1[n-]cnc2c1ncn2[C@@H]1CC[C@@H](CO)O1	 
O=c1[nH]cnc2c1ncn2[C@@H]1CC[C@@H](CO)O1	ZINC000013827997	87/27/39/342872739	BXZVVICBKDXVGW-BQBZGAKWSA-N	0	236.231	BB	-0.211	0	Anodyne	ref	BBAARN	O=c1[nH]cnc2c1ncn2[C@@H]1CC[C@@H](CO)O1	 
O=c1[nH]cnc2c1ncn2[C@@H]1CC[C@H](CO)O1	ZINC000016025885	90/51/22/342905122	BXZVVICBKDXVGW-RQJHMYQMSA-N	-1	236.231	BB	-0.211	3	Anodyne	high	BBAAHM	O=c1[n-]cnc2c1ncn2[C@@H]1CC[C@H](CO)O1	 
O=c1[nH]cnc2c1ncn2[C@@H]1CC[C@H](CO)O1	ZINC000016025885	90/51/19/342905119	BXZVVICBKDXVGW-RQJHMYQMSA-N	0	236.231	BB	-0.211	0	Anodyne	ref	BBAARN	O=c1[nH]cnc2c1ncn2[C@@H]1CC[C@H](CO)O1	 
Nc1ccn([C@@H]2CS[C@@H](CO)O2)c(=O)n1	ZINC000016952920	91/78/21/342917821	JTEGQNOMFQHVDC-BQBZGAKWSA-N	0	229.261	BB	-0.594	0	Anodyne	ref	BBAARN	Nc1ccn([C@@H]2CS[C@@H](CO)O2)c(=O)n1	in-man
Nc1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1	ZINC000017175067	04/13/58/363041358	WREGKURFCTUGRC-XPUUQOCRSA-N	0	211.221	BB	-0.505	0	Anodyne	ref	BBAARN	Nc1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1	in-vitro
Nc1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1	ZINC000017175068	04/17/02/363041702	WREGKURFCTUGRC-SVRRBLITSA-N	0	211.221	BB	-0.505	0	Anodyne	ref	BBAARN	Nc1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1	in-vitro
Nc1ccn([C@H]2CS[C@@H](CO)O2)c(=O)n1	ZINC000017187710	76/19/28/181761928	JTEGQNOMFQHVDC-RQJHMYQMSA-N	0	229.261	BB	-0.594	0	Anodyne	ref	BBAARN	Nc1ccn([C@H]2CS[C@@H](CO)O2)c(=O)n1	in-man
Cc1cn([C@@H]2C=C[C@H](CO)O2)c(=O)[nH]c1=O	ZINC000018037522	87/05/15/359870515	XNKLLVCARDGLGL-SFYZADRCSA-N	0	224.216	BB	-0.709	0	Anodyne	ref	BBAARN	Cc1cn([C@@H]2C=C[C@H](CO)O2)c(=O)[nH]c1=O	in-vitro
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@H](CO)O1	ZINC000018068892	93/13/43/342931343	BXZVVICBKDXVGW-RNFRBKRXSA-N	-1	236.231	BB	-0.211	3	Anodyne	high	BBAAHM	O=c1[n-]cnc2c1ncn2[C@H]1CC[C@H](CO)O1	 
O=c1[nH]cnc2c1ncn2[C@H]1CC[C@H](CO)O1	ZINC000018068892	93/13/42/342931342	BXZVVICBKDXVGW-RNFRBKRXSA-N	-1	236.231	BB	-0.211	0	Anodyne	ref	BBAARM	O=c1[nH]cnc2c1ncn2[C@H]1CC[C@H](CO)O1	 
CCO/C(O)=N\c1c[n+](N2CCOCC2)no1	ZINC000018117797	17/96/26/170179626	XLFWDASMENKTKL-UHFFFAOYSA-O	0	243.243	BB	-0.488	3	Mild	high	BBEAHN	CCOC(=O)[N-]c1cn(N2CCOCC2)n[o+]1	world
CCO/C(O)=N\c1c[n+](N2CCOCC2)no1	ZINC000018117797	17/96/23/170179623	XLFWDASMENKTKL-UHFFFAOYSA-O	1	243.243	BB	-0.488	0	Mild	ref	BBEARO	CCOC(=O)Nc1cn(N2CCOCC2)n[o+]1	world
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O	ZINC000019168887	94/30/00/342943000	TZFNLOMSOLWIDK-JTQLQIEISA-N	-1	226.232	BB	-0.053	0	Clean	ref	BBCARM	C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)[O-]	fda
C[C@](Cc1ccc(O)c(O)c1)(NN)C(=O)O	ZINC000019168901	44/27/60/177442760	TZFNLOMSOLWIDK-SNVBAGLBSA-N	-1	226.232	BB	-0.053	0	Clean	ref	BBCARM	C[C@](Cc1ccc(O)c(O)c1)(NN)C(=O)[O-]	investigational
CC[C@@H](CO)NCCN[C@@H](CC)CO	ZINC000019364219	51/88/83/387518883	AEUTYOVWOVBAKS-UWVGGRQHSA-N	2	204.314	BB	-0.293	2	Anodyne	low	BBAALP	CC[C@@H](CO)[NH2+]CC[NH2+][C@@H](CC)CO	fda
CC[C@@H](CO)NCCN[C@@H](CC)CO	ZINC000019364219	51/88/64/387518864	AEUTYOVWOVBAKS-UWVGGRQHSA-N	1	204.314	BB	-0.293	0	Anodyne	ref	BBAARO	CC[C@@H](CO)NCC[NH2+][C@@H](CC)CO	fda
CC[C@H](CO)NCCN[C@H](CC)CO	ZINC000019364221	51/60/08/384516008	AEUTYOVWOVBAKS-NXEZZACHSA-N	2	204.314	BB	-0.293	2	Anodyne	low	BBAALP	CC[C@H](CO)[NH2+]CC[NH2+][C@H](CC)CO	investigational
CC[C@H](CO)NCCN[C@H](CC)CO	ZINC000019364221	51/59/97/384515997	AEUTYOVWOVBAKS-NXEZZACHSA-N	1	204.314	BB	-0.293	0	Anodyne	ref	BBAARO	CC[C@H](CO)NCC[NH2+][C@H](CC)CO	investigational
COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=CC[C@@H]12	ZINC000105057710	51/85/43/173518543	AZKVWQKMDGGDSV-NMLBEHRDSA-N	0	226.228	BB	-0.053	0	Anodyne	ref	BBAARN	COC(=O)C1=CO[C@H](O)[C@@H]2C(CO)=CC[C@@H]12	in-man endogenous
CC(C)(C)OC(=O)NCC1(O)CNC1	ZINC000105643143	87/87/14/384878714	MVFWQSPXPWBTKA-UHFFFAOYSA-N	0	202.254	BB	-0.155	3	Anodyne	high	BBAAHN	CC(C)(C)OC(=O)NCC1(O)CNC1	 
CC(C)(C)OC(=O)NCC1(O)CNC1	ZINC000105643143	87/87/06/384878706	MVFWQSPXPWBTKA-UHFFFAOYSA-N	1	202.254	BB	-0.155	0	Anodyne	ref	BBAARO	CC(C)(C)OC(=O)NCC1(O)C[NH2+]C1	 
COC(=O)C1=CO[C@H](O)[C@H]2C(CO)=CC[C@@H]12	ZINC000409418451	22/22/32/136222232	AZKVWQKMDGGDSV-ARENWVFISA-N	0	226.228	BB	-0.053	0	Anodyne	ref	BBAARN	COC(=O)C1=CO[C@H](O)[C@H]2C(CO)=CC[C@@H]12	in-man endogenous