CC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1	ZINC000000000211	61/61/86/406616186	AWOGXJOBNAWQSF-CQSZACIVSA-N	1	308.378	DD	1.585	0	Anodyne	ref	DDAARO	CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	in-man
O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1	ZINC000001541892	67/18/57/406671857	BCCREUFCSIMJFS-UHFFFAOYSA-N	0	306.406	DD	1.55	3	Anodyne	high	DDAAHN	O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1	in-man
O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1	ZINC000001541892	67/18/47/406671847	BCCREUFCSIMJFS-UHFFFAOYSA-N	1	306.406	DD	1.55	0	Anodyne	ref	DDAARO	O=C(CO)NCCCOc1cccc(C[NH+]2CCCCC2)c1	in-man
CC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1	ZINC000001573408	67/12/33/406671233	AWOGXJOBNAWQSF-AWEZNQCLSA-N	1	308.378	DD	1.585	0	Anodyne	ref	DDAARO	CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	in-man
NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1	ZINC000001849545	89/83/18/180898318	ZYLULTURYPAERI-UHFFFAOYSA-N	0	305.309	DD	1.544	0	Anodyne	ref	DDAARN	[NH3+]CCNc1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1	in-vitro
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O	ZINC000003617733	71/88/10/406718810	IWQJEAWVHIBCDP-UHFFFAOYSA-N	-1	313.357	DD	1.444	3	Anodyne	high	DDABHM	O=C([O-])c1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O	in-vitro
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O	ZINC000003617733	71/87/98/406718798	IWQJEAWVHIBCDP-UHFFFAOYSA-N	1	313.357	DD	1.444	2	Anodyne	low	DDABLO	O=C(O)c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)ccc2c1=O	in-vitro
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O	ZINC000003617733	71/87/82/406718782	IWQJEAWVHIBCDP-UHFFFAOYSA-N	0	313.357	DD	1.444	0	Anodyne	ref	DDABRN	O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)ccc2c1=O	in-vitro
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23	ZINC000048523202	86/18/78/278861878	XTLCAWXSWVQNHK-LLVKDONJSA-N	1	317.364	DD	1.846	2	Anodyne	low	DDAALO	C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)ccn1c23	in-vitro
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23	ZINC000048523202	86/18/72/278861872	XTLCAWXSWVQNHK-LLVKDONJSA-N	0	317.364	DD	1.846	0	Anodyne	ref	DDAARN	C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23	in-vitro
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23	ZINC000048523204	92/54/89/279925489	XTLCAWXSWVQNHK-NSHDSACASA-N	1	317.364	DD	1.846	2	Anodyne	low	DDAALO	C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)ccn1c23	in-vitro
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23	ZINC000048523204	92/54/85/279925485	XTLCAWXSWVQNHK-NSHDSACASA-N	0	317.364	DD	1.846	0	Anodyne	ref	DDAARN	C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)ccn1c23	in-vitro
CN1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1	ZINC000065748374	37/84/06/184378406	HAEFSUMMZPPOJC-JSGCOSHPSA-N	0	301.383	DD	1.837	3	Mild	high	DDEAHN	CN1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1	in-vitro
CN1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1	ZINC000065748374	37/84/05/184378405	HAEFSUMMZPPOJC-JSGCOSHPSA-N	1	301.383	DD	1.837	1	Mild	mid	DDEAMO	C[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1	in-vitro
CN1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1	ZINC000065748374	37/84/04/184378404	HAEFSUMMZPPOJC-JSGCOSHPSA-N	1	301.383	DD	1.837	0	Mild	ref	DDEARO	C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COS(C)(=O)=O)C1	in-vitro
CCOCCOCc1ccc(OC[C@H](O)CNC(C)C)cc1	ZINC000067664943	47/72/62/184477262	OPVJAGJYMLRLHP-MRXNPFEDSA-N	1	311.422	DD	1.977	0	Anodyne	ref	DDAARO	CCOCCOCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	in-vitro
CCOCCOCc1ccc(OC[C@@H](O)CNC(C)C)cc1	ZINC000067664945	27/94/58/407279458	OPVJAGJYMLRLHP-INIZCTEOSA-N	1	311.422	DD	1.977	0	Anodyne	ref	DDAARO	CCOCCOCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	in-vitro
CCC[C@@H](C(=O)O)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	ZINC000067665303	47/75/26/283477526	GBVXUKWRYVJUFG-PEDHHIEDSA-N	-1	322.405	DD	1.63	0	Anodyne	ref	DDAARM	CCC[C@@H](C(=O)[O-])N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	in-vitro
CCC[C@@H](C(=O)O)N1C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	ZINC000067665305	27/95/63/407279563	GBVXUKWRYVJUFG-HTVCTNPSSA-N	-1	322.405	DD	1.63	0	Anodyne	ref	DDAARM	CCC[C@@H](C(=O)[O-])N1C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	in-vitro