O=C(O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1I	ZINC000000658601	17/11/16/212171116	ALXJLCAFBGOZNO-XBXARRHUSA-N	-1	388.117	GC	0.935	1	Anodyne	mid	GCAAMM	O=C([O-])COc1ccc(/C=C2/NC(=O)NC2=O)cc1I	 
O=C(O)COc1ccc(/C=C2/NC(=O)NC2=O)cc1I	ZINC000000658601	17/11/11/212171111	ALXJLCAFBGOZNO-XBXARRHUSA-N	-2	388.117	GC	0.935	0	Anodyne	ref	GCAARL	O=C([O-])COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1I	 
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000000979834	33/84/08/206338408	HHTQMLUKQWDRDY-YRNVUSSQSA-N	-1	378.406	GC	0.894	1	Clean	mid	GCCAMM	CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	 
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000000979834	33/84/05/206338405	HHTQMLUKQWDRDY-YRNVUSSQSA-N	0	378.406	GC	0.894	0	Clean	ref	GCCARN	CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C(=O)NC1=S	ZINC000001139705	10/17/43/212101743	FJHGZAQOJNUOGH-XYOKQWHBSA-N	-1	389.433	GC	0.762	1	Mild	mid	GCEAMM	C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C(=O)NC1=S	ZINC000001139705	10/17/39/212101739	FJHGZAQOJNUOGH-XYOKQWHBSA-N	0	389.433	GC	0.762	0	Mild	ref	GCEARN	C=CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C(=O)NC1=S	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCC	ZINC000001172751	31/00/23/209310023	VBIGJNBCRWVBRC-UHFFFAOYSA-N	-1	378.406	GC	0.941	1	Clean	mid	GCCAMM	CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCC	ZINC000001172751	31/00/16/209310016	VBIGJNBCRWVBRC-UHFFFAOYSA-N	0	378.406	GC	0.941	0	Clean	ref	GCCARN	CCOC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCC	 
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198652	11/44/99/530114499	FDVBWUMJARASPQ-UHFFFAOYSA-N	-1	383.154	GC	0.75	1	Clean	mid	GCCAMM	COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	 
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198652	11/44/97/530114497	FDVBWUMJARASPQ-UHFFFAOYSA-N	-1	383.154	GC	0.75	1	Clean	mid	GCCAMM	COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	 
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198652	11/44/95/530114495	FDVBWUMJARASPQ-UHFFFAOYSA-N	0	383.154	GC	0.75	1	Clean	mid	GCCAMN	COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	 
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198652	11/44/90/530114490	FDVBWUMJARASPQ-UHFFFAOYSA-N	-1	383.154	GC	0.75	0	Clean	ref	GCCARM	COC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	 
C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OCC(=O)O	ZINC000002313779	24/98/16/206249816	KJXBVPVAFADUSR-UHFFFAOYSA-N	-2	376.39	GC	0.801	1	Mild	mid	GCEAML	C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OC)c1OCC(=O)[O-]	 
C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OCC(=O)O	ZINC000002313779	24/98/12/206249812	KJXBVPVAFADUSR-UHFFFAOYSA-N	-1	376.39	GC	0.801	0	Mild	ref	GCEARM	C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OCC(=O)[O-]	 
O=C1NC(=S)NC(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12	ZINC000004711430	39/66/84/570396684	KBTGAPZDEKBCQW-UHFFFAOYSA-N	-1	398.444	GC	0.414	1	Clean	mid	GCCAMM	O=C1[N-]C(=S)NC(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12	 
O=C1NC(=S)NC(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12	ZINC000004711430	39/66/80/570396680	KBTGAPZDEKBCQW-UHFFFAOYSA-N	0	398.444	GC	0.414	0	Clean	ref	GCCARN	O=C1NC(=S)NC(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12	 
O=C1NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)N1	ZINC000009111540	54/99/97/570549997	ABPFTXFSLCMJCH-UHFFFAOYSA-N	0	382.376	GC	0.249	1	Clean	mid	GCCAMN	O=C1NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)N1	 
O=C1NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)N1	ZINC000009111540	54/99/95/570549995	ABPFTXFSLCMJCH-UHFFFAOYSA-N	-1	382.376	GC	0.249	0	Clean	ref	GCCARM	O=C1[N-]C(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)N1	 
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ncn[nH]2)CC1	ZINC000013724961	78/12/94/570781294	MJGZXYXQRKPETJ-UHFFFAOYSA-N	0	396.498	GC	0.617	0	Anodyne	ref	GCAARN	CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2nc[nH]n2)CC1	 
CCc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)s1	ZINC000019799708	14/66/53/530146653	TWHFNABZFHEBAR-UHFFFAOYSA-N	0	383.503	GC	0.792	0	Anodyne	ref	GCAARN	CCc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)s1	 
COC(=O)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1	ZINC000588225028	74/40/14/570744014	IMDKGCGAEGLACH-INIZCTEOSA-N	0	380.429	GC	0.979	0	Anodyne	ref	GCABRN	COC(=O)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1	 
COC(=O)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1	ZINC000588225029	74/40/45/570744045	IMDKGCGAEGLACH-MRXNPFEDSA-N	0	380.429	GC	0.979	0	Anodyne	ref	GCABRN	COC(=O)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1	 
COc1ccccc1C(=O)[C@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21	ZINC000588225909	74/48/80/570744880	ADUUXFYQOOOOKY-KRWDZBQOSA-N	0	380.429	GC	0.711	2	Anodyne	low	GCABLN	COc1ccccc1C(O)=C1N=c2ccccc2=C2C(=O)N=C(SC)NN12	 
COc1ccccc1C(=O)[C@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21	ZINC000588225909	74/48/79/570744879	ADUUXFYQOOOOKY-KRWDZBQOSA-N	-1	380.429	GC	0.711	0	Anodyne	ref	GCABRM	COc1ccccc1C([O-])=C1N=c2ccccc2=C2C(=O)N=C(SC)NN12	 
COc1ccccc1C(=O)[C@@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21	ZINC000588225910	74/48/67/570744867	ADUUXFYQOOOOKY-QGZVFWFLSA-N	0	380.429	GC	0.711	2	Anodyne	low	GCABLN	COc1ccccc1C(O)=C1N=c2ccccc2=C2C(=O)N=C(SC)NN12	 
COc1ccccc1C(=O)[C@@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21	ZINC000588225910	74/48/65/570744865	ADUUXFYQOOOOKY-QGZVFWFLSA-N	-1	380.429	GC	0.711	0	Anodyne	ref	GCABRM	COc1ccccc1C([O-])=C1N=c2ccccc2=C2C(=O)N=C(SC)NN12