C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12	ZINC000003808779	66/50/40/220665040	DMJNNHOOLUXYBV-PQTSNVLCSA-N	0	383.47	GB	-0.308	0	Anodyne	ref	GBAARN	C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12	fda
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1	ZINC000003927198	35/34/09/570353409	RTXOFQZKPXMALH-GHXIOONMSA-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	fda
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1	ZINC000003927198	35/34/03/570353403	RTXOFQZKPXMALH-GHXIOONMSA-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	fda
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12	ZINC000005736072	12/50/77/209125077	DMJNNHOOLUXYBV-CNOCOONNSA-N	0	383.47	GB	-0.308	0	Anodyne	ref	GBAARN	C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12	 
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@@H]12	ZINC000005736130	14/89/68/204148968	DMJNNHOOLUXYBV-VXXUGFECSA-N	0	383.47	GB	-0.308	0	Anodyne	ref	GBAARN	C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@@H]12	 
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
C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@@H]2SC1	ZINC000014768518	57/41/37/570574137	RTXOFQZKPXMALH-GZPQMAAYSA-N	-2	395.422	GB	-0.172	1	Mild	mid	GBEBML	C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@@H]2SC1	 
C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@@H]2SC1	ZINC000014768518	57/41/29/570574129	RTXOFQZKPXMALH-GZPQMAAYSA-N	-1	395.422	GB	-0.172	0	Mild	ref	GBEBRM	C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@@H]2SC1	 
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@@H]2SC1	ZINC000014768522	57/42/09/570574209	RTXOFQZKPXMALH-HBNYPJHTSA-N	-2	395.422	GB	-0.172	1	Mild	mid	GBEBML	C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@@H]2SC1	 
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@@H]2SC1	ZINC000014768522	57/42/04/570574204	RTXOFQZKPXMALH-HBNYPJHTSA-N	-1	395.422	GB	-0.172	0	Mild	ref	GBEBRM	C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@@H]2SC1	 
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
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	 
C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@H]2SC1	ZINC000033940339	57/43/03/570574303	RTXOFQZKPXMALH-ZPDFADLTSA-N	-2	395.422	GB	-0.172	1	Mild	mid	GBEBML	C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@H]2SC1	 
C=CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@H]2SC1	ZINC000033940339	57/42/99/570574299	RTXOFQZKPXMALH-ZPDFADLTSA-N	-1	395.422	GB	-0.172	0	Mild	ref	GBEBRM	C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@H]2SC1	 
CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	ZINC000066074200	16/42/72/136164272	JEGHXKRHKHPBJD-UHFFFAOYSA-N	0	377.43	GB	-0.325	0	Anodyne	ref	GBAARN	CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	investigational
O=C(NC1=CNN/C1=C1\N=c2ccc(CN3CCOCC3)cc2=N1)NC1CC1	ZINC000136047369	46/18/41/570461841	VRXXZJLHPWWXIX-ISLYRVAYSA-N	1	381.44	GB	-0.648	1	Anodyne	mid	GBAAMO	O=C(NC1=CNN/C1=C1\N=c2ccc(C[NH+]3CCOCC3)cc2=N1)NC1CC1	in-vitro
O=C(NC1=CNN/C1=C1\N=c2ccc(CN3CCOCC3)cc2=N1)NC1CC1	ZINC000136047369	46/18/37/570461837	VRXXZJLHPWWXIX-ISLYRVAYSA-N	0	381.44	GB	-0.648	0	Anodyne	ref	GBAARN	O=C(NC1=CNN/C1=C1\N=c2ccc(CN3CCOCC3)cc2=N1)NC1CC1	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	ZINC000245204572	45/88/94/570458894	DMJNNHOOLUXYBV-SDONNHMOSA-N	0	383.47	GB	-0.308	0	Anodyne	ref	GBAARN	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	 
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@@H](C)[C@@H]12	ZINC000245204573	68/85/60/205688560	DMJNNHOOLUXYBV-ZNSCXOEOSA-N	0	383.47	GB	-0.308	0	Anodyne	ref	GBAARN	C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@@H](C)[C@@H]12