CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000000057125	39/30/46/209393046	USVMJSALORZVDV-SDBHATRESA-N	0	335.364	EB	-0.184	0	Anodyne	ref	EBAARN	CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	investigational
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1	ZINC000001713574	87/76/17/375877617	KHWCHTKSEGGWEX-RRKCRQDMSA-N	-1	331.225	EB	-0.834	2	Anodyne	low	EBAALM	Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	in-man endogenous
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1	ZINC000001713574	87/76/11/375877611	KHWCHTKSEGGWEX-RRKCRQDMSA-N	-1	331.225	EB	-0.834	2	Anodyne	low	EBAALM	Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	in-man endogenous
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1	ZINC000001713574	87/75/91/375877591	KHWCHTKSEGGWEX-RRKCRQDMSA-N	-2	331.225	EB	-0.834	0	Anodyne	ref	EBAARL	Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	in-man endogenous
O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O	ZINC000002526327	88/61/73/375886173	LNQHREYHFRFJAU-UHFFFAOYSA-N	0	326.261	EB	-0.629	0	Mild	ref	EBEARN	O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O	in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	ZINC000003873977	08/22/35/210082235	IVOMOUWHDPKRLL-KQYNXXCUSA-N	-1	329.209	EB	-0.817	0	Anodyne	ref	EBAARM	Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	in-man endogenous
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3	ZINC000003875454	19/12/13/560191213	FIVPIPIDMRVLAY-RBJBARPLSA-N	0	326.399	EB	-0.304	0	Reactive	ref	EBGARN	CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3	in-vitro biogenic
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000004073899	11/36/34/210113634	YUDPTGPSBJVHCN-YMILTQATSA-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-vivo
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12	ZINC000004282235	16/10/88/210161088	YUDPTGPSBJVHCN-CHUNWDLHSA-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
O=C(O)[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000006092577	24/12/00/381241200	PRYLPCLGPXGILY-DKBOKBLXSA-N	-1	338.268	EB	-0.936	0	Anodyne	ref	EBAARM	O=C([O-])[C@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O	in-vitro
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
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]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO	ZINC000031160108	22/11/28/278221128	ADFIQZBYNGPCGY-HTJQZXIKSA-N	0	338.356	EB	-0.267	0	Mild	ref	EBEARN	CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1CC(C)C(=O)C(=O)[C@@]12CO	in-vitro
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1	ZINC000034301483	27/20/91/202272091	PJCVBKZRKNFZOD-ZIQFBCGOSA-N	0	335.696	EB	-0.573	0	Bother	ref	EBBARN	O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1	in-vitro
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000053195720	16/89/62/214168962	QVCMHGGNRFRMAD-XFGHUUIASA-N	0	325.361	EB	-0.393	3	Anodyne	high	EBAAHN	C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	in-vitro biogenic
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000053195720	16/89/58/214168958	QVCMHGGNRFRMAD-XFGHUUIASA-N	1	325.361	EB	-0.393	1	Anodyne	mid	EBAAMO	C[C@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	in-vitro biogenic
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	ZINC000053195720	16/89/56/214168956	QVCMHGGNRFRMAD-XFGHUUIASA-N	1	325.361	EB	-0.393	0	Anodyne	ref	EBAARO	C[C@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	in-vitro biogenic
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
CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3(COS(N)(=O)=O)OC[C@H]2O1	ZINC000096085732	49/05/02/376490502	KJADKKWYZYXHBB-ARHDFHRDSA-N	0	339.366	EB	-0.395	0	Anodyne	ref	EBAARN	CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3(COS(N)(=O)=O)OC[C@H]2O1	in-vitro