CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000003861047	49/47/63/206494763	LPTITAGPBXDDGR-LYYZXLFJSA-N	0	390.341	GB	-0.367	0	Anodyne	ref	GBAARN	CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	in-vitro
C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	ZINC000003882229	35/29/60/570352960	AUFVJZSDSXXFOI-UHFFFAOYSA-N	2	376.494	GB	-0.283	2	Anodyne	low	GBAALP	C1COCC[NH+]2CCOCCOCC[NH+](CCO1)CCOCCOCC2	 
C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	ZINC000003882229	35/29/56/570352956	AUFVJZSDSXXFOI-UHFFFAOYSA-N	0	376.494	GB	-0.283	0	Anodyne	ref	GBAARN	C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	 
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@H]2SC1	ZINC000013119676	26/16/09/221261609	RTXOFQZKPXMALH-RWFJUVPESA-N	-2	395.422	GB	-0.172	1	Mild	mid	GBEAML	C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@H]2SC1	in-vitro
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@H]2SC1	ZINC000013119676	26/16/06/221261606	RTXOFQZKPXMALH-RWFJUVPESA-N	-1	395.422	GB	-0.172	0	Mild	ref	GBEARM	C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@H]2SC1	in-vitro
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000014806687	12/84/63/210128463	WHSIXKUPQCKWBY-LEIICMHDSA-N	1	392.153	GB	-0.77	2	Anodyne	low	GBAALO	Nc1[nH+]cnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	in-vitro
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000014806687	12/84/57/210128457	WHSIXKUPQCKWBY-LEIICMHDSA-N	0	392.153	GB	-0.77	0	Anodyne	ref	GBAARN	Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	in-vitro
C[C@@H]1C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)O)[C@H]12	ZINC000021984184	30/07/89/570300789	DMJNNHOOLUXYBV-XFVKVHEMSA-N	0	383.47	GB	-0.308	0	Anodyne	ref	GBABRN	C[C@@H]1C(S[C@@H]2C[NH2+][C@H](C(=O)N(C)C)C2)=C(C(=O)[O-])N2C(=O)[C@@H]([C@@H](C)O)[C@H]12	 
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000026737828	08/34/71/530083471	WHSIXKUPQCKWBY-GZCUOZMLSA-N	1	392.153	GB	-0.77	2	Anodyne	low	GBAALO	Nc1[nH+]cnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	 
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000026737828	08/34/70/530083470	WHSIXKUPQCKWBY-GZCUOZMLSA-N	0	392.153	GB	-0.77	0	Anodyne	ref	GBAARN	Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O