O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I	ZINC000000537850	52/84/75/482528475	XQFRJNBWHJMXHO-VQVTYTSYSA-N	-1	354.1	FA	-1.218	3	Anodyne	high	FAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I	in-vitro
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I	ZINC000000537850	52/84/63/482528463	XQFRJNBWHJMXHO-VQVTYTSYSA-N	0	354.1	FA	-1.218	0	Anodyne	ref	FAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I	in-vitro
CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001543916	35/96/38/210359638	WPVFJKSGQUFQAP-BDAKNGLRSA-N	1	354.367	FA	-1.437	0	Anodyne	ref	FAAARO	CC(C)[C@H]([NH3+])C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001543916	35/96/43/210359643	WPVFJKSGQUFQAP-BDAKNGLRSA-N	0	354.367	FA	-1.437	1	Anodyne	mid	FAAAMN	CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001995484	52/92/23/482529223	WPVFJKSGQUFQAP-IUCAKERBSA-N	0	354.367	FA	-1.437	1	Anodyne	mid	FAAAMN	CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001995484	52/92/09/482529209	WPVFJKSGQUFQAP-IUCAKERBSA-N	1	354.367	FA	-1.437	0	Anodyne	ref	FAAARO	CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	fda
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000002159505	52/93/37/482529337	RQFCJASXJCIDSX-UUOKFMHZSA-N	-1	363.223	FA	-2.57	2	Anodyne	low	FAAALM	Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	in-man endogenous
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000002159505	52/93/24/482529324	RQFCJASXJCIDSX-UUOKFMHZSA-N	-1	363.223	FA	-2.57	2	Anodyne	low	FAAALM	Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	in-man endogenous
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000002159505	52/93/01/482529301	RQFCJASXJCIDSX-UUOKFMHZSA-N	-2	363.223	FA	-2.57	0	Anodyne	ref	FAAARL	Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	in-man endogenous
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1I	ZINC000003586101	53/08/08/482530808	XQFRJNBWHJMXHO-ACZMJKKPSA-N	-1	354.1	FA	-1.218	3	Anodyne	high	FAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1I	in-vitro
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1I	ZINC000003586101	53/07/92/482530792	XQFRJNBWHJMXHO-ACZMJKKPSA-N	0	354.1	FA	-1.218	0	Anodyne	ref	FAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1I	in-vitro
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000003927870	53/25/06/482532506	GIUYCYHIANZCFB-FJFJXFQQSA-N	-1	365.214	FA	-1.724	2	Anodyne	low	FAAALM	Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	fda
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000003927870	53/25/01/482532501	GIUYCYHIANZCFB-FJFJXFQQSA-N	-1	365.214	FA	-1.724	2	Anodyne	low	FAAALM	Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	fda
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000003927870	53/24/89/482532489	GIUYCYHIANZCFB-FJFJXFQQSA-N	-2	365.214	FA	-1.724	0	Anodyne	ref	FAAARL	Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	fda
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O	ZINC000004098354	13/16/52/483131652	HEYZWPRKKUGDCR-QBXMEVCASA-N	0	374.342	FA	-2.477	0	Mild	ref	FAEARN	C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O	in-vitro biogenic
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	ZINC000005157983	65/72/91/219657291	VSJGJMKGNMDJCI-ZASXJUAOSA-N	0	358.343	FA	-1.592	0	Mild	ref	FAEARN	C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	in-vitro biogenic
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1I	ZINC000005223557	70/43/81/482704381	XQFRJNBWHJMXHO-XVMARJQXSA-N	-1	354.1	FA	-1.218	3	Anodyne	high	FAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1I	in-man biogenic
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1I	ZINC000005223557	70/43/71/482704371	XQFRJNBWHJMXHO-XVMARJQXSA-N	0	354.1	FA	-1.218	0	Anodyne	ref	FAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1I	in-man biogenic
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1I	ZINC000027654519	19/82/10/483198210	XQFRJNBWHJMXHO-QYNIQEEDSA-N	-1	354.1	FA	-1.218	3	Anodyne	high	FAAAHM	O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1I	in-vitro
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1I	ZINC000027654519	19/82/00/483198200	XQFRJNBWHJMXHO-QYNIQEEDSA-N	0	354.1	FA	-1.218	0	Anodyne	ref	FAAARN	O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1I	in-vitro