C/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O	ZINC000013759728	80/45/00/401804500	MHSRNZSBNXFMLF-FPYGCLRLSA-N	-2	306.314	DE	2.43	3	Anodyne	high	DEAAHL	C/C(=C\Cc1c([O-])c(C)c2c(c1O)C(=O)OC2)CCC(=O)[O-]	world
C/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O	ZINC000013759728	80/44/96/401804496	MHSRNZSBNXFMLF-FPYGCLRLSA-N	-1	306.314	DE	2.43	0	Anodyne	ref	DEAARM	C/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)[O-]	world
NCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl	ZINC000022048397	30/62/21/182306221	KFFLFXHSHZOQHH-UHFFFAOYSA-N	1	321.764	DE	2.059	2	Anodyne	low	DEAALO	[NH3+]CCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl	in-vitro
NCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl	ZINC000022048397	30/62/19/182306219	KFFLFXHSHZOQHH-UHFFFAOYSA-N	0	321.764	DE	2.059	0	Anodyne	ref	DEAARN	[NH3+]CCNc1cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2cc1Cl	in-vitro
COCCOc1cc2ncnc(Cl)c2cc1OCCOC	ZINC000039326127	01/75/42/183017542	ZPJLDMNVDPGZIU-UHFFFAOYSA-N	0	312.753	DE	2.334	0	Anodyne	ref	DEAARN	COCCOc1cc2ncnc(Cl)c2cc1OCCOC	in-vitro
COc1c(C)c2c(c(O)c1CC[C@@]1(C)CCC(=O)O1)C(=O)OC2	ZINC000044136507	39/64/10/183396410	GNWIDHOJWGSPTK-KRWDZBQOSA-N	0	320.341	DE	2.408	0	Anodyne	ref	DEAARN	COc1c(C)c2c(c(O)c1CC[C@@]1(C)CCC(=O)O1)C(=O)OC2	in-vitro
Cc1c2c(c(O)c3c1O[C@@](C)(CCC(=O)O)CC3)C(=O)OC2	ZINC000067665239	01/49/51/301014951	OFLAUAULXGFGII-MRXNPFEDSA-N	-1	306.314	DE	2.32	0	Anodyne	ref	DEABRM	Cc1c2c(c(O)c3c1O[C@@](C)(CCC(=O)[O-])CC3)C(=O)OC2	in-vitro
Cc1c2c(c(O)c3c1O[C@](C)(CCC(=O)O)CC3)C(=O)OC2	ZINC000067665241	01/48/44/301014844	OFLAUAULXGFGII-INIZCTEOSA-N	-1	306.314	DE	2.32	0	Anodyne	ref	DEABRM	Cc1c2c(c(O)c3c1O[C@](C)(CCC(=O)[O-])CC3)C(=O)OC2	in-vitro
COc1c(C)c2c(c3c1C[C@H]([C@]1(C)CCC(=O)O1)O3)C(=O)OC2	ZINC000067665242	79/20/96/277792096	NUOKDRKAQMMGFH-DIFFPNOSSA-N	0	318.325	DE	2.073	0	Anodyne	ref	DEABRN	COc1c(C)c2c(c3c1C[C@H]([C@]1(C)CCC(=O)O1)O3)C(=O)OC2	in-vitro
COc1c(C)c2c(c3c1C[C@@H]([C@]1(C)CCC(=O)O1)O3)C(=O)OC2	ZINC000067665244	18/87/06/286188706	NUOKDRKAQMMGFH-GTNSWQLSSA-N	0	318.325	DE	2.073	0	Anodyne	ref	DEABRN	COc1c(C)c2c(c3c1C[C@@H]([C@]1(C)CCC(=O)O1)O3)C(=O)OC2	in-vitro
COc1c(C)c2c(c3c1C[C@H]([C@@]1(C)CCC(=O)O1)O3)C(=O)OC2	ZINC000067665246	16/65/02/402166502	NUOKDRKAQMMGFH-PIGZYNQJSA-N	0	318.325	DE	2.073	0	Anodyne	ref	DEABRN	COc1c(C)c2c(c3c1C[C@H]([C@@]1(C)CCC(=O)O1)O3)C(=O)OC2	in-vitro
COc1c(C)c2c(c3c1C[C@@H]([C@@]1(C)CCC(=O)O1)O3)C(=O)OC2	ZINC000067665248	36/55/95/277365595	NUOKDRKAQMMGFH-APPDUMDISA-N	0	318.325	DE	2.073	0	Anodyne	ref	DEABRN	COc1c(C)c2c(c3c1C[C@@H]([C@@]1(C)CCC(=O)O1)O3)C(=O)OC2	in-vitro
COc1c(C)c2c(c(O)c1CC[C@]1(C)CCC(=O)O1)C(=O)OC2	ZINC000067665250	16/63/49/402166349	GNWIDHOJWGSPTK-QGZVFWFLSA-N	0	320.341	DE	2.408	0	Anodyne	ref	DEABRN	COc1c(C)c2c(c(O)c1CC[C@]1(C)CCC(=O)O1)C(=O)OC2	in-vitro
COc1ccc2nc(-n3cc(C)c(=O)c(C)c3C(=O)O)[nH]c2c1	ZINC000077294135	27/94/52/295279452	CDVIAIZPAAQCEE-UHFFFAOYSA-N	-1	313.313	DE	2.037	1	Anodyne	mid	DEAAMM	COc1ccc2nc(-n3cc(C)c(=O)c(C)c3C(=O)[O-])[nH]c2c1	in-vitro
COc1ccc2nc(-n3cc(C)c(=O)c(C)c3C(=O)O)[nH]c2c1	ZINC000077294135	27/94/49/295279449	CDVIAIZPAAQCEE-UHFFFAOYSA-N	-1	313.313	DE	2.037	0	Anodyne	ref	DEAARM	COc1ccc2[nH]c(-n3cc(C)c(=O)c(C)c3C(=O)[O-])nc2c1	in-vitro