Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000000519405	64/34/63/209643463	YUDPTGPSBJVHCN-SLZITWOASA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBAARN	Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	in-vitro biogenic
N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1	ZINC000001530636	87/69/34/375876934	XUFQPHANEAPEMJ-UHFFFAOYSA-N	0	337.456	EB	-0.158	1	Anodyne	mid	EBAAMN	N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1	fda aggregator
N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1	ZINC000001530636	87/69/24/375876924	XUFQPHANEAPEMJ-UHFFFAOYSA-N	1	337.456	EB	-0.158	0	Anodyne	ref	EBAARO	N=C(CCSCc1csc(NC(N)=[NH2+])n1)NS(N)(=O)=O	fda aggregator
Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	ZINC000002047175	04/41/74/377044174	YUDPTGPSBJVHCN-HVQZGBDUSA-N	0	338.312	EB	-0.72	0	Anodyne	ref	EBAARN	Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	in-vitro biogenic
N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O	ZINC000003924950	09/39/13/210093913	DJSXNILVACEBLP-UHFFFAOYSA-N	-4	342.285	EB	-0.079	0	Mild	ref	EBEARL	N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-]	world
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1	ZINC000006569119	91/13/51/375911351	BNXBRFDWSPXODM-BPGGGUHBSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1	 
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12	ZINC000008585017	94/99/02/418949902	UQNAFPHGVPVTAL-UHFFFAOYSA-N	0	336.285	EB	-0.075	0	Bother	ref	EBBARN	NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12	in-vitro
CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@@]231	ZINC000008679998	97/95/24/210979524	MOLPUWBMSBJXER-YDGSQGCISA-N	0	326.301	EB	-0.744	0	Anodyne	ref	EBAARN	CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@@]231	in-vitro
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	ZINC000012958889	49/31/82/211493182	BNXBRFDWSPXODM-IKVITTDRSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	 
CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@]231	ZINC000013815747	67/67/40/380676740	MOLPUWBMSBJXER-CGKMHMKQSA-N	0	326.301	EB	-0.744	0	Anodyne	ref	EBAARN	CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@]231	in-vitro biogenic
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cc(F)c(N)nc2=O)O[C@@H]1C	ZINC000022016665	26/96/08/212269608	NWJBWNIUGNXJGO-ZKDHKLRESA-N	0	329.284	EB	-0.255	0	Anodyne	ref	EBAARN	CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2cc(F)c(N)nc2=O)O[C@@H]1C	 
CC(=O)O[C@H]1[C@@H](C)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H]1OC(C)=O	ZINC000022016670	26/99/15/212269915	NWJBWNIUGNXJGO-NXTWSYBLSA-N	0	329.284	EB	-0.255	0	Anodyne	ref	EBAARN	CC(=O)O[C@H]1[C@@H](C)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H]1OC(C)=O	 
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	ZINC000022049845	07/75/80/202077580	BNXBRFDWSPXODM-GVUJHPQVSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1)c1ccccc1	in-vitro
O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1	ZINC000022049850	27/33/74/212273374	BNXBRFDWSPXODM-CQROYNQRSA-N	0	347.327	EB	-0.893	0	Anodyne	ref	EBAARN	O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1	in-vitro
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1	ZINC000095616603	88/89/10/381888910	KJADKKWYZYXHBB-XBWDGYHZSA-N	0	339.366	EB	-0.395	0	Anodyne	ref	EBAARN	CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1	fda