CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968328	33/61/94/539336194	YASAKCUCGLMORW-HNNXBMFYSA-N	1	357.435	FE	2.491	2	Anodyne	low	FEAALO	CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1	fda
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968328	33/61/90/539336190	YASAKCUCGLMORW-HNNXBMFYSA-N	-1	357.435	FE	2.491	0	Anodyne	ref	FEAARM	CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1	fda
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968330	34/80/94/219348094	YASAKCUCGLMORW-OAHLLOKOSA-N	1	357.435	FE	2.491	2	Anodyne	low	FEAALO	CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1	fda
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968330	34/80/89/219348089	YASAKCUCGLMORW-OAHLLOKOSA-N	-1	357.435	FE	2.491	0	Anodyne	ref	FEAARM	CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1	fda
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O	ZINC000003812842	37/34/74/539373474	TYNLGDBUJLVSMA-UHFFFAOYSA-N	-1	368.297	FE	2.011	0	Clean	ref	FECARM	CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)[O-])cc1C2=O	world biogenic
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1	ZINC000021981361	69/04/33/539690433	AGQGGZNSVNKGDU-HNNXBMFYSA-N	0	373.434	FE	2.196	2	Anodyne	low	FEAALN	CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1	world
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1	ZINC000021981361	69/04/31/539690431	AGQGGZNSVNKGDU-HNNXBMFYSA-N	-1	373.434	FE	2.196	0	Anodyne	ref	FEAARM	CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccc(O)cn1	world
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1	ZINC000021981363	69/04/85/539690485	AGQGGZNSVNKGDU-OAHLLOKOSA-N	0	373.434	FE	2.196	2	Anodyne	low	FEAALN	CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1	world
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1	ZINC000021981363	69/04/84/539690484	AGQGGZNSVNKGDU-OAHLLOKOSA-N	-1	373.434	FE	2.196	0	Anodyne	ref	FEAARM	CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccc(O)cn1	world
C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCO)cc23)c1	ZINC000022057163	37/53/53/220375353	YWSAEKIQJPQSDJ-UHFFFAOYSA-N	0	365.389	FE	2.097	0	Mild	ref	FEEARN	C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCO)cc23)c1	in-vitro
CCc1ccc(CCOc2ccc(C[C@@]3(O)SC(=O)NC3=O)cc2)nc1	ZINC000022061089	69/15/57/539691557	HDKWBDGQTUQSTO-LJQANCHMSA-N	0	372.446	FE	2.48	2	Anodyne	low	FEAALN	CCc1ccc(CCOc2ccc(C[C@@]3(O)SC(=O)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@@]3(O)SC(=O)NC3=O)cc2)nc1	ZINC000022061089	69/15/54/539691554	HDKWBDGQTUQSTO-LJQANCHMSA-N	-1	372.446	FE	2.48	0	Anodyne	ref	FEAARM	CCc1ccc(CCOc2ccc(C[C@@]3(O)SC(=O)[N-]C3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@]3(O)SC(=O)NC3=O)cc2)nc1	ZINC000022061092	69/12/08/539691208	HDKWBDGQTUQSTO-IBGZPJMESA-N	0	372.446	FE	2.48	2	Anodyne	low	FEAALN	CCc1ccc(CCOc2ccc(C[C@]3(O)SC(=O)NC3=O)cc2)nc1	in-vitro
CCc1ccc(CCOc2ccc(C[C@]3(O)SC(=O)NC3=O)cc2)nc1	ZINC000022061092	69/12/05/539691205	HDKWBDGQTUQSTO-IBGZPJMESA-N	-1	372.446	FE	2.48	0	Anodyne	ref	FEAARM	CCc1ccc(CCOc2ccc(C[C@]3(O)SC(=O)[N-]C3=O)cc2)nc1	in-vitro
CC(C)NC[C@H](O)COc1ccc(COCOCCOC(C)C)cc1	ZINC000044699424	11/00/22/205110022	NGCBVUSSEGADND-SFHVURJKSA-N	1	355.475	FE	2.34	0	Anodyne	ref	FEAARO	CC(C)[NH2+]C[C@H](O)COc1ccc(COCOCCOC(C)C)cc1	in-vitro
CC(C)NC[C@@H](O)COc1ccc(COCOCCOC(C)C)cc1	ZINC000044699425	13/70/47/540137047	NGCBVUSSEGADND-GOSISDBHSA-N	1	355.475	FE	2.34	0	Anodyne	ref	FEAARO	CC(C)[NH2+]C[C@@H](O)COc1ccc(COCOCCOC(C)C)cc1	in-vitro
CCC[C@@H](C(=O)OCC)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	ZINC000065748393	23/74/26/221237426	BSZZSBSELAVBAG-QXKUPLGCSA-N	0	350.459	FE	2.109	0	Anodyne	ref	FEAARN	CCC[C@@H](C(=O)OCC)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	in-vitro
CCC[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	ZINC000067665302	38/01/36/205380136	QNZXYNZACHNVLH-WOYTXXSLSA-N	0	364.486	FE	2.497	0	Anodyne	ref	FEABRN	CCC[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C	in-vitro