OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000000899166	16/66/42/120166642	HSTZMXCBWJGKHG-FSONJKCJSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000000899166	16/66/39/120166639	HSTZMXCBWJGKHG-FSONJKCJSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O	in-vitro biogenic
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2[S@]1=O	ZINC000001322847	37/29/81/206372981	AYTKEKBIWRHMGU-RXRJHIGISA-N	-1	375.038	GC	0.635	0	Anodyne	ref	GCAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@@H]2[S@]1=O	 
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2[S@]1=O	ZINC000001322848	23/59/91/212235991	AYTKEKBIWRHMGU-DKTGONNZSA-N	-1	375.038	GC	0.635	0	Anodyne	ref	GCAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2[S@]1=O	 
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2S1(=O)=O	ZINC000001323254	37/35/46/206373546	DZYBRGUNKNPEKM-DZSWIPIPSA-N	-1	391.037	GC	0.301	0	Anodyne	ref	GCAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@@H]2S1(=O)=O	 
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O	ZINC000001323255	31/88/03/209318803	DZYBRGUNKNPEKM-BBIVZNJYSA-N	-1	391.037	GC	0.301	0	Anodyne	ref	GCAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O	 
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881959	12/35/10/560123510	HSTZMXCBWJGKHG-DPCQDSBSSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881959	12/35/08/560123508	HSTZMXCBWJGKHG-DPCQDSBSSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881960	12/34/57/560123457	HSTZMXCBWJGKHG-ZMSCKBSRSA-N	-1	390.388	GC	0.447	3	Anodyne	high	GCAAHM	[O-]c1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1	in-vitro biogenic
OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000003881960	12/34/55/560123455	HSTZMXCBWJGKHG-ZMSCKBSRSA-N	-1	390.388	GC	0.447	0	Anodyne	ref	GCAARM	OC[C@@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H](O)[C@@H]1O	in-vitro biogenic
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	ZINC000003882036	71/91/06/570719106	GFNANZIMVAIWHM-OBYCQNJPSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	fda
C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	ZINC000003882037	61/53/64/211615364	GFNANZIMVAIWHM-CCIMGODBSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	 
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2[S@@]1=O	ZINC000008733250	28/69/33/204286933	AYTKEKBIWRHMGU-WFBCCXSOSA-N	-1	375.038	GC	0.635	0	Anodyne	ref	GCAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@H]2[S@@]1=O	 
CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@@H]2[S@@]1=O	ZINC000015919768	06/80/88/207068088	AYTKEKBIWRHMGU-YLRPCSSXSA-N	-1	375.038	GC	0.635	0	Anodyne	ref	GCAARM	CC1(C)[C@H](C(=O)[O-])N2C(=O)C(Br)(Br)[C@@H]2[S@@]1=O	 
NC(=O)Cn1cnc(I)c1I	ZINC000036047663	17/13/78/530171378	SUYPTZUNGBWGNF-UHFFFAOYSA-N	0	376.923	GC	0.578	0	Anodyne	ref	GCAARN	NC(=O)Cn1cnc(I)c1I