O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O	ZINC000002526328	43/16/67/526431667	LCZVQHWMSQLWSC-ZETCQYMHSA-N	-1	360.3	FA	-1.835	0	Mild	ref	FAEARM	O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	in-vitro
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	ZINC000004097981	12/11/96/204121196	CRSFLLTWRCYNNX-YJDQBUFVSA-N	-1	370.31	FA	-1.314	1	Anodyne	mid	FAABMM	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1[O-]	in-vitro
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	ZINC000004097981	12/11/92/204121192	CRSFLLTWRCYNNX-YJDQBUFVSA-N	0	370.31	FA	-1.314	0	Anodyne	ref	FAABRN	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	in-vitro
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	ZINC000004348410	17/71/76/206177176	CRSFLLTWRCYNNX-PHVBXJGCSA-N	-1	370.31	FA	-1.314	1	Anodyne	mid	FAABMM	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1[O-]	in-vitro biogenic
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	ZINC000004348410	17/71/71/206177171	CRSFLLTWRCYNNX-PHVBXJGCSA-N	0	370.31	FA	-1.314	0	Anodyne	ref	FAABRN	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	in-vitro biogenic
C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	ZINC000004521935	17/91/08/210179108	GOSWTRUMMSCNCW-HNNGNKQASA-N	0	351.363	FA	-1.212	0	Anodyne	ref	FAAARN	C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	in-man endogenous
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	ZINC000004544768	23/03/20/206230320	CRSFLLTWRCYNNX-ONLLLNKHSA-N	-1	370.31	FA	-1.314	1	Anodyne	mid	FAABMM	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1[O-]	in-vitro biogenic
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	ZINC000004544768	23/03/16/206230316	CRSFLLTWRCYNNX-ONLLLNKHSA-N	0	370.31	FA	-1.314	0	Anodyne	ref	FAABRN	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	in-vitro biogenic
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	ZINC000013424699	71/33/65/483713365	CRSFLLTWRCYNNX-GDFYCBJMSA-N	-1	370.31	FA	-1.314	1	Anodyne	mid	FAABMM	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1[O-]	in-vitro
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	ZINC000013424699	71/33/61/483713361	CRSFLLTWRCYNNX-GDFYCBJMSA-N	0	370.31	FA	-1.314	0	Anodyne	ref	FAABRN	COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	in-vitro
C=CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013527691	03/70/98/211037098	PHZOWSSBXJXFOR-PTGZALFTSA-N	-1	359.378	FA	-1.771	0	Mild	ref	FAEARM	C=CC/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	in-man endogenous
CS(=O)(=O)C[C@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)O)CC1	ZINC000071404957	58/04/32/482580432	BATRHFPEJHETTP-MNOVXSKESA-N	-1	360.454	FA	-2.742	0	Anodyne	ref	FAABRM	CS(=O)(=O)C[C@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)[O-])CC1	 
CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)O)CC1	ZINC000071404958	57/98/28/482579828	BATRHFPEJHETTP-QWRGUYRKSA-N	-1	360.454	FA	-2.742	0	Anodyne	ref	FAABRM	CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)[O-])CC1	 
CS(=O)(=O)C[C@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)O)CC1	ZINC000071404961	34/58/57/221345857	BATRHFPEJHETTP-GHMZBOCLSA-N	-1	360.454	FA	-2.742	0	Anodyne	ref	FAABRM	CS(=O)(=O)C[C@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)[O-])CC1	 
CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)O)CC1	ZINC000071404963	34/63/84/221346384	BATRHFPEJHETTP-WDEREUQCSA-N	-1	360.454	FA	-2.742	0	Anodyne	ref	FAABRM	CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)[O-])CC1	 
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	ZINC000071404971	34/69/17/221346917	GOSWTRUMMSCNCW-PANGGGJFSA-N	0	351.363	FA	-1.212	0	Anodyne	ref	FAABRN	C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	 
O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O	ZINC000076945287	43/20/70/526432070	LCZVQHWMSQLWSC-SSDOTTSWSA-N	-1	360.3	FA	-1.835	0	Mild	ref	FAEARM	O=C(CCCN1C(=O)C=CC1=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	in-vitro
O=C(COCCO)NCCCC[C@@H](NC(=O)COCCO)C(=O)O	ZINC000247380851	95/29/60/482952960	JETMSGOBDXKGRH-LLVKDONJSA-N	-1	350.368	FA	-2.14	0	Anodyne	ref	FAABRM	O=C(COCCO)NCCCC[C@@H](NC(=O)COCCO)C(=O)[O-]	 
O=C(COCCO)NCCCC[C@H](NC(=O)COCCO)C(=O)O	ZINC000247380867	95/26/08/482952608	JETMSGOBDXKGRH-NSHDSACASA-N	-1	350.368	FA	-2.14	0	Anodyne	ref	FAABRM	O=C(COCCO)NCCCC[C@H](NC(=O)COCCO)C(=O)[O-]