CC1(C)O[C@H]2O[C@H](CN3CCN[C@@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	ZINC000022115789	27/78/90/212277890	BSMLOGYQCJGNEB-NQNKBUKLSA-N	0	334.416	EC	0.87	3	Anodyne	high	ECAAHN	CC1(C)O[C@H]2O[C@H](CN3CCN[C@@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	 
CC1(C)O[C@H]2O[C@H](CN3CCN[C@@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	ZINC000022115789	27/78/88/212277888	BSMLOGYQCJGNEB-NQNKBUKLSA-N	1	334.416	EC	0.87	0	Anodyne	ref	ECAARO	CC1(C)O[C@H]2O[C@H](CN3CC[NH2+][C@@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	 
CC1(C)O[C@H]2O[C@H](CN3CCN[C@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	ZINC000022115793	27/80/29/212278029	BSMLOGYQCJGNEB-DMRKSPOLSA-N	0	334.416	EC	0.87	3	Anodyne	high	ECAAHN	CC1(C)O[C@H]2O[C@H](CN3CCN[C@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	 
CC1(C)O[C@H]2O[C@H](CN3CCN[C@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	ZINC000022115793	27/80/27/212278027	BSMLOGYQCJGNEB-DMRKSPOLSA-N	1	334.416	EC	0.87	0	Anodyne	ref	ECAARO	CC1(C)O[C@H]2O[C@H](CN3CC[NH2+][C@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	 
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1	ZINC000022115858	27/81/39/212278139	RMWKMMUSFZVFMX-XJFOESAGSA-N	0	344.385	EC	0.938	0	Mild	ref	ECEARN	Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1	 
CCOC(=O)[C@@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781521	27/64/83/202276483	OUCUGSVEWPYBKR-ZHZXCYKASA-N	0	329.393	EC	0.499	3	Anodyne	high	ECAAHN	CCOC(=O)[C@@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	 
CCOC(=O)[C@@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781521	27/64/79/202276479	OUCUGSVEWPYBKR-ZHZXCYKASA-N	1	329.393	EC	0.499	1	Anodyne	mid	ECAAMO	CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	 
CCOC(=O)[C@@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781521	27/64/75/202276475	OUCUGSVEWPYBKR-ZHZXCYKASA-N	1	329.393	EC	0.499	0	Anodyne	ref	ECAARO	CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	 
CCOC(=O)[C@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781522	25/55/40/436255540	OUCUGSVEWPYBKR-GGAZOKNXSA-N	0	329.393	EC	0.499	3	Anodyne	high	ECAAHN	CCOC(=O)[C@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	 
CCOC(=O)[C@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781522	25/55/31/436255531	OUCUGSVEWPYBKR-GGAZOKNXSA-N	1	329.393	EC	0.499	1	Anodyne	mid	ECAAMO	CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	 
CCOC(=O)[C@H]1CCCN(C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781522	25/55/16/436255516	OUCUGSVEWPYBKR-GGAZOKNXSA-N	1	329.393	EC	0.499	0	Anodyne	ref	ECAARO	CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	 
CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071979978	03/40/18/436034018	WPZFIRRILZRFIF-ZDUSSCGKSA-N	-1	349.343	EC	0.942	3	Bother	high	ECBAHM	CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	 
CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071979978	03/40/08/436034008	WPZFIRRILZRFIF-ZDUSSCGKSA-N	0	349.343	EC	0.942	0	Bother	ref	ECBARN	C[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	 
CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071979979	89/95/42/289899542	WPZFIRRILZRFIF-CYBMUJFWSA-N	-1	349.343	EC	0.942	3	Bother	high	ECBAHM	CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	 
CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071979979	89/95/39/289899539	WPZFIRRILZRFIF-CYBMUJFWSA-N	0	349.343	EC	0.942	0	Bother	ref	ECBARN	C[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	 
CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071979980	03/22/31/436032231	RGENFHBRMRTVOO-ZDUSSCGKSA-N	-1	349.343	EC	0.942	3	Bother	high	ECBAHM	CN1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	 
CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071979980	03/22/24/436032224	RGENFHBRMRTVOO-ZDUSSCGKSA-N	0	349.343	EC	0.942	0	Bother	ref	ECBARN	C[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	 
CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071979981	03/47/50/436034750	RGENFHBRMRTVOO-CYBMUJFWSA-N	-1	349.343	EC	0.942	3	Bother	high	ECBAHM	CN1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	 
CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071979981	03/47/43/436034743	RGENFHBRMRTVOO-CYBMUJFWSA-N	0	349.343	EC	0.942	0	Bother	ref	ECBARN	C[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	 
COc1ccc(CC(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)cc1	ZINC000071980011	03/19/07/436031907	XMAGBFFBDUGQHP-HNNXBMFYSA-N	-1	348.399	EC	0.972	3	Anodyne	high	ECAAHM	COc1ccc(CC(=O)N2[C@H](C(=O)[O-])COC23CCN(C)CC3)cc1	 
COc1ccc(CC(=O)N2[C@H](C(=O)O)COC23CCN(C)CC3)cc1	ZINC000071980011	03/19/00/436031900	XMAGBFFBDUGQHP-HNNXBMFYSA-N	0	348.399	EC	0.972	0	Anodyne	ref	ECAARN	COc1ccc(CC(=O)N2[C@H](C(=O)[O-])COC23CC[NH+](C)CC3)cc1	 
COc1ccc(CC(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)cc1	ZINC000071980012	03/48/50/436034850	XMAGBFFBDUGQHP-OAHLLOKOSA-N	-1	348.399	EC	0.972	3	Anodyne	high	ECAAHM	COc1ccc(CC(=O)N2[C@@H](C(=O)[O-])COC23CCN(C)CC3)cc1	 
COc1ccc(CC(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)cc1	ZINC000071980012	03/48/44/436034844	XMAGBFFBDUGQHP-OAHLLOKOSA-N	0	348.399	EC	0.972	0	Anodyne	ref	ECAARN	COc1ccc(CC(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](C)CC3)cc1	 
COCC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2	ZINC000071980660	03/26/27/436032627	GOEQZJNSDIPWKU-HNNXBMFYSA-N	-1	348.399	EC	0.937	3	Anodyne	high	ECAAHM	COCC(=O)N1[C@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2	 
COCC(=O)N1[C@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2	ZINC000071980660	03/26/20/436032620	GOEQZJNSDIPWKU-HNNXBMFYSA-N	0	348.399	EC	0.937	0	Anodyne	ref	ECAARN	COCC(=O)N1[C@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2	 
COCC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2	ZINC000071980661	03/24/70/436032470	GOEQZJNSDIPWKU-OAHLLOKOSA-N	-1	348.399	EC	0.937	3	Anodyne	high	ECAAHM	COCC(=O)N1[C@@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2	 
COCC(=O)N1[C@@H](C(=O)O)COC12CCN(Cc1ccccc1)CC2	ZINC000071980661	03/24/59/436032459	GOEQZJNSDIPWKU-OAHLLOKOSA-N	0	348.399	EC	0.937	0	Anodyne	ref	ECAARN	COCC(=O)N1[C@@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2