O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	ZINC000000155651	41/09/63/574410963	XHCADAYNFIFUHF-XKNKYKOPSA-N	-1	340.284	EA	-1.323	3	Anodyne	high	EAAAHM	O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c([O-])cc2o1	in-man aggregator endogenous
O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	ZINC000000155651	41/09/62/574410962	XHCADAYNFIFUHF-XKNKYKOPSA-N	0	340.284	EA	-1.323	0	Anodyne	ref	EAAARN	O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	in-man aggregator endogenous
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000000155675	86/07/66/374860766	VJUPMOPLUQHMLE-UUOKFMHZSA-N	0	346.141	EA	-1.218	0	Anodyne	ref	EAAARN	Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000003860156	07/99/50/210079950	UDMBCSSLTHHNCD-KQYNXXCUSA-N	-2	347.224	EA	-1.863	0	Anodyne	ref	EAAARL	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	world endogenous
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000003882070	23/99/47/374239947	VIZPZFFVVXGXQO-MBMOQRBOSA-N	-5	326.087	EA	-3.028	3	Anodyne	high	EAAAHL	O=P([O-])([O-])OC[C@H]1O[C@]([O-])(OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	 
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	ZINC000003882070	23/99/38/374239938	VIZPZFFVVXGXQO-MBMOQRBOSA-N	-4	326.087	EA	-3.028	0	Anodyne	ref	EAAARL	O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	 
Nc1cc(C(=O)NC[C@H](O)CO)cc(C(=O)NC[C@H](O)CO)c1	ZINC000003882544	08/36/44/210083644	XOZGAPXHJKSZCU-RYUDHWBXSA-N	0	327.337	EA	-2.565	0	Anodyne	ref	EAAARN	Nc1cc(C(=O)NC[C@H](O)CO)cc(C(=O)NC[C@H](O)CO)c1	 
Nc1cc(C(=O)NC[C@@H](O)CO)cc(C(=O)NC[C@@H](O)CO)c1	ZINC000003882547	08/34/94/210083494	XOZGAPXHJKSZCU-VXGBXAGGSA-N	0	327.337	EA	-2.565	0	Anodyne	ref	EAAARN	Nc1cc(C(=O)NC[C@@H](O)CO)cc(C(=O)NC[C@@H](O)CO)c1	 
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000004046820	18/71/73/286187173	YWJXCIXBAKGUKZ-HJJNZUOJSA-N	-1	328.273	EA	-1.201	3	Anodyne	high	EAAAHM	COc1c(O)cc2c(c1[O-])[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	in-man biogenic
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000004046820	18/71/72/286187172	YWJXCIXBAKGUKZ-HJJNZUOJSA-N	0	328.273	EA	-1.201	0	Anodyne	ref	EAAARN	COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	in-man biogenic
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@H](O)[C@H]1O	ZINC000012890045	25/47/10/374254710	VIZPZFFVVXGXQO-LECHCGJUSA-N	-5	326.087	EA	-3.028	3	Anodyne	high	EAAAHL	O=P([O-])([O-])OC[C@H]1O[C@]([O-])(OP(=O)([O-])[O-])[C@H](O)[C@H]1O	 
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@H](O)[C@H]1O	ZINC000012890045	25/46/91/374254691	VIZPZFFVVXGXQO-LECHCGJUSA-N	-4	326.087	EA	-3.028	0	Anodyne	ref	EAAARL	O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@H](O)[C@H]1O	 
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@H](O)[C@@H]1O	ZINC000012890051	25/49/66/374254966	VIZPZFFVVXGXQO-AIHAYLRMSA-N	-5	326.087	EA	-3.028	3	Anodyne	high	EAAAHL	O=P([O-])([O-])OC[C@H]1O[C@]([O-])(OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	 
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@H](O)[C@@H]1O	ZINC000012890051	25/49/58/374254958	VIZPZFFVVXGXQO-AIHAYLRMSA-N	-4	326.087	EA	-3.028	0	Anodyne	ref	EAAARL	O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	 
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000012890057	25/52/38/374255238	VIZPZFFVVXGXQO-STGXQOJASA-N	-5	326.087	EA	-3.028	3	Anodyne	high	EAAAHL	O=P([O-])([O-])OC[C@H]1O[C@]([O-])(OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	 
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@@H](O)[C@H]1O	ZINC000012890057	25/52/32/374255232	VIZPZFFVVXGXQO-STGXQOJASA-N	-4	326.087	EA	-3.028	0	Anodyne	ref	EAAARL	O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	 
Nc1cc(C(=O)NC[C@H](O)CO)cc(C(=O)NC[C@@H](O)CO)c1	ZINC000013811040	25/57/67/374255767	XOZGAPXHJKSZCU-TXEJJXNPSA-N	0	327.337	EA	-2.565	0	Anodyne	ref	EAAARN	Nc1cc(C(=O)NC[C@H](O)CO)cc(C(=O)NC[C@@H](O)CO)c1