CCOC(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21	ZINC000000631985	25/30/11/209253011	SQADMAFOWSYTKU-UHFFFAOYSA-N	0	385.445	GD	1.803	0	Clean	ref	GDCARN	CCOC(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21	 
COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C	ZINC000000660036	17/08/57/212170857	AWNGCQBAONPSEY-UHFFFAOYSA-N	-1	383.429	GD	1.795	1	Clean	mid	GDCAMM	COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C	 
COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C	ZINC000000660036	17/08/52/212170852	AWNGCQBAONPSEY-UHFFFAOYSA-N	0	383.429	GD	1.795	0	Clean	ref	GDCARN	COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C	 
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000000661415	53/14/72/530531472	LGVBEPUXYVSUNB-RUDMXATFSA-N	0	385.17	GD	1.19	1	Anodyne	mid	GDAAMN	COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC	 
COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000000661415	53/14/65/530531465	LGVBEPUXYVSUNB-RUDMXATFSA-N	-1	385.17	GD	1.19	0	Anodyne	ref	GDAARM	COC(=O)COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	 
C=CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)NC1=S	ZINC000000670028	24/84/89/206248489	HNAUBMBVHGGRJT-RUDMXATFSA-N	-1	395.234	GD	1.99	1	Mild	mid	GDEAMM	C=CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)NC1=S	ZINC000000670028	24/84/85/206248485	HNAUBMBVHGGRJT-RUDMXATFSA-N	0	395.234	GD	1.99	0	Mild	ref	GDEARN	C=CCN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)C(=O)NC1=S	 
O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1	ZINC000000680456	21/67/78/570216778	ZENKRDIIWCATMM-UHFFFAOYSA-N	-2	382.397	GD	1.878	1	Clean	mid	GDCAML	O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1	 
O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1	ZINC000000680456	21/67/72/570216772	ZENKRDIIWCATMM-UHFFFAOYSA-N	-1	382.397	GD	1.878	0	Clean	ref	GDCARM	O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1	 
COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(=O)O	ZINC000000832976	32/68/31/206326831	AGSBUWUSFSMNCG-CXUHLZMHSA-N	-1	382.397	GD	1.929	0	Anodyne	ref	GDAARM	COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(=O)[O-]	 
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1O	ZINC000000886199	27/61/33/209276133	QWXATHMXKXZNGG-SDQBBNPISA-N	0	382.328	GD	1.796	2	Clean	low	GDCALN	COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1O	 
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1O	ZINC000000886199	27/61/27/209276127	QWXATHMXKXZNGG-SDQBBNPISA-N	-1	382.328	GD	1.796	0	Clean	ref	GDCARM	COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1O	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC	ZINC000000936937	28/03/75/209280375	YJUMVFBGOZRECE-GFCCVEGCSA-N	0	380.202	GD	1.906	0	Anodyne	ref	GDAARN	COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OC	ZINC000000936938	53/10/27/530531027	YJUMVFBGOZRECE-LBPRGKRZSA-N	0	380.202	GD	1.906	0	Anodyne	ref	GDAARN	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC	 
COC(=O)COc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000000979814	33/85/18/206338518	JHYYUWCIDUYHGT-YCRREMRBSA-N	0	385.17	GD	1.19	1	Anodyne	mid	GDAAMN	COC(=O)COc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC	 
COC(=O)COc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000000979814	33/85/15/206338515	JHYYUWCIDUYHGT-YCRREMRBSA-N	-1	385.17	GD	1.19	0	Anodyne	ref	GDAARM	COC(=O)COc1cc(Br)c(/C=C2/NC(=O)[N-]C2=O)cc1OC	 
CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)NC1=S	ZINC000000979987	20/16/72/212201672	WMQFGZTYKMSHRU-LFIBNONCSA-N	-1	395.44	GD	1.961	1	Clean	mid	GDCAMM	CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)NC1=S	ZINC000000979987	20/16/65/212201665	WMQFGZTYKMSHRU-LFIBNONCSA-N	0	395.44	GD	1.961	0	Clean	ref	GDCARN	CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)NC1=S	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OC(C)=O	ZINC000000996113	33/98/26/206339826	GIHTZYZMVKLWKF-UHFFFAOYSA-N	-1	383.154	GD	1.132	1	Clean	mid	GDCAMM	COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Br)cc1OC(C)=O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OC(C)=O	ZINC000000996113	33/98/22/206339822	GIHTZYZMVKLWKF-UHFFFAOYSA-N	-1	383.154	GD	1.132	1	Clean	mid	GDCAMM	COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Br)cc1OC(C)=O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OC(C)=O	ZINC000000996113	33/98/20/206339820	GIHTZYZMVKLWKF-UHFFFAOYSA-N	0	383.154	GD	1.132	1	Clean	mid	GDCAMN	COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OC(C)=O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)cc1OC(C)=O	ZINC000000996113	33/98/16/206339816	GIHTZYZMVKLWKF-UHFFFAOYSA-N	-1	383.154	GD	1.132	0	Clean	ref	GDCARM	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1OC(C)=O	 
O=C(O)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1	ZINC000001012914	28/85/67/209288567	NFYPHYBINGOEMN-UKTHLTGXSA-N	-1	376.39	GD	1.28	0	Anodyne	ref	GDAARM	O=C([O-])c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1	 
CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000001098502	29/94/47/209299447	XCAYZXOATVJYPC-BJMVGYQFSA-N	0	399.197	GD	1.58	1	Anodyne	mid	GDAAMN	CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC	 
CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC	ZINC000001098502	29/94/40/209299440	XCAYZXOATVJYPC-BJMVGYQFSA-N	-1	399.197	GD	1.58	0	Anodyne	ref	GDAARM	CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	 
COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c(C)c1	ZINC000001111877	30/08/18/209300818	DQCUDCLTGUSYMT-UHFFFAOYSA-N	0	381.388	GD	1.939	1	Clean	mid	GDCAMN	COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c(C)c1	 
COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c(C)c1	ZINC000001111877	30/08/14/209300814	DQCUDCLTGUSYMT-UHFFFAOYSA-N	-1	381.388	GD	1.939	0	Clean	ref	GDCARM	COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c(C)c1	 
COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c1	ZINC000001114854	30/28/02/209302802	OKESEPBHBCPSCN-UHFFFAOYSA-N	0	381.388	GD	1.939	1	Clean	mid	GDCAMN	COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c1	 
COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c1	ZINC000001114854	30/27/96/209302796	OKESEPBHBCPSCN-UHFFFAOYSA-N	-1	381.388	GD	1.939	0	Clean	ref	GDCARM	COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c1	 
COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OC(C)=O	ZINC000001121304	35/49/35/206354935	ZUBCSENLCPNQKC-UHFFFAOYSA-N	-1	399.222	GD	1.297	1	Clean	mid	GDCAMM	COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(Br)cc1OC(C)=O	 
COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OC(C)=O	ZINC000001121304	35/49/30/206354930	ZUBCSENLCPNQKC-UHFFFAOYSA-N	0	399.222	GD	1.297	0	Clean	ref	GDCARN	COc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OC(C)=O	 
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC(C)=O)c(OC)c1	ZINC000001124601	30/38/02/209303802	LERQHGCYNYDQNE-HNNXBMFYSA-N	0	378.381	GD	1.82	0	Anodyne	ref	GDAARN	CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC(C)=O)c(OC)c1	 
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC(C)=O)c(OC)c1	ZINC000001124603	30/39/48/209303948	LERQHGCYNYDQNE-OAHLLOKOSA-N	0	378.381	GD	1.82	0	Anodyne	ref	GDAARN	CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC(C)=O)c(OC)c1	 
CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)OC)C1=O	ZINC000001147469	22/31/60/212223160	OCIJIWQKPBNODC-MDWZMJQESA-N	0	379.39	GD	1.838	0	Anodyne	ref	GDAARN	CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)OC)C1=O	 
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC	ZINC000001160202	53/13/34/530531334	NNQDIPWAXHSPDY-UHFFFAOYSA-N	0	383.198	GD	1.9	0	Clean	ref	GDCARN	COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC	 
COc1cc(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC	ZINC000001160546	30/86/30/209308630	NNCARVKMPHIIKJ-UHFFFAOYSA-N	0	383.198	GD	1.9	0	Clean	ref	GDCARN	COc1cc(Br)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OC	 
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1O	ZINC000001172692	30/96/37/209309637	HPRQGGUMFKIUQI-UHFFFAOYSA-N	0	385.239	GD	1.762	0	Clean	ref	GDCARN	COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1O	 
CN1C(=O)C(=Cc2cc3c(cc2Br)OCO3)C(=O)N(C)C1=S	ZINC000001172797	31/06/20/209310620	NYHOPLFOZXUSCE-UHFFFAOYSA-N	0	383.223	GD	1.776	0	Clean	ref	GDCARN	CN1C(=O)C(=Cc2cc3c(cc2Br)OCO3)C(=O)N(C)C1=S	 
CCOC(=O)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC	ZINC000001184085	89/46/61/203894661	CDDQEBIMRKJCRX-UHFFFAOYSA-N	0	390.392	GD	1.461	0	Clean	ref	GDCARN	CCOC(=O)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC	 
CN1C(=O)C(=Cc2ccc(I)o2)C(=O)N(C)C1=S	ZINC000001184256	36/52/85/206365285	VDOVFDQBSHGMTI-UHFFFAOYSA-N	0	376.175	GD	1.483	0	Clean	ref	GDCARN	CN1C(=O)C(=Cc2ccc(I)o2)C(=O)N(C)C1=S	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198861	53/13/96/530531396	BAXNKGVYKNYGJE-UHFFFAOYSA-N	-1	397.181	GD	1.14	1	Clean	mid	GDCAMM	CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198861	53/13/92/530531392	BAXNKGVYKNYGJE-UHFFFAOYSA-N	-1	397.181	GD	1.14	1	Clean	mid	GDCAMM	CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198861	53/13/89/530531389	BAXNKGVYKNYGJE-UHFFFAOYSA-N	0	397.181	GD	1.14	1	Clean	mid	GDCAMN	CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	 
CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000001198861	53/13/82/530531382	BAXNKGVYKNYGJE-UHFFFAOYSA-N	-1	397.181	GD	1.14	0	Clean	ref	GDCARM	CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	 
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	ZINC000001202053	36/66/63/206366663	FBIBFAGGVFOZPS-UHFFFAOYSA-N	-1	387.175	GD	1.685	1	Clean	mid	GDCAMM	CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl	 
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	ZINC000001202053	36/66/61/206366661	FBIBFAGGVFOZPS-UHFFFAOYSA-N	-1	387.175	GD	1.685	1	Clean	mid	GDCAMM	CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl	 
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	ZINC000001202053	36/66/57/206366657	FBIBFAGGVFOZPS-UHFFFAOYSA-N	0	387.175	GD	1.685	1	Clean	mid	GDCAMN	CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	 
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	ZINC000001202053	36/66/53/206366653	FBIBFAGGVFOZPS-UHFFFAOYSA-N	-1	387.175	GD	1.685	0	Clean	ref	GDCARM	CCOC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	 
COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC	ZINC000002812972	38/88/76/209388876	ATFMKFJAUHEQBB-NTUHNPAUSA-N	0	395.389	GD	1.456	0	Anodyne	ref	GDAARN	COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C(=O)NC1=S	ZINC000002817715	39/08/65/570390865	LEEDAAQGAMPLNL-MJWAUXSNSA-N	-2	390.417	GD	1.36	1	Mild	mid	GDEAML	C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C(=O)NC1=S	ZINC000002817715	39/08/55/570390855	LEEDAAQGAMPLNL-MJWAUXSNSA-N	-1	390.417	GD	1.36	0	Mild	ref	GDEARM	C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C(=O)NC1=S	ZINC000002817717	39/56/60/570395660	LEEDAAQGAMPLNL-ZDIKFAODSA-N	-2	390.417	GD	1.36	1	Mild	mid	GDEAML	C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C(=O)NC1=S	ZINC000002817717	39/56/58/570395658	LEEDAAQGAMPLNL-ZDIKFAODSA-N	-1	390.417	GD	1.36	0	Mild	ref	GDEARM	C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	 
CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Br)c2)C1=O	ZINC000002883880	39/52/04/209395204	OHPHCCDAEWCJFX-XBXARRHUSA-N	-1	383.154	GD	1.004	1	Clean	mid	GDCAMM	CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Br)c2)C1=O	 
CN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Br)c2)C1=O	ZINC000002883880	39/51/98/209395198	OHPHCCDAEWCJFX-XBXARRHUSA-N	-2	383.154	GD	1.004	0	Clean	ref	GDCARL	CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Br)c2)C1=O	 
C=CCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000002903863	39/69/08/570396908	YZTZINYAJIAFNH-POHAHGRESA-N	-2	377.378	GD	1.512	3	Mild	high	GDEAHL	C=CCN1C(=O)/C(=C\c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000002903863	39/69/07/570396907	YZTZINYAJIAFNH-POHAHGRESA-N	0	377.378	GD	1.512	2	Mild	low	GDEALN	C=CCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C(=O)NC1=S	 
C=CCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C(=O)NC1=S	ZINC000002903863	39/69/03/570396903	YZTZINYAJIAFNH-POHAHGRESA-N	-1	377.378	GD	1.512	0	Mild	ref	GDEARM	C=CCN1C(=O)/C(=C\c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C(=O)NC1=S	 
C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000002916178	53/31/15/530533115	CRNOCXMZPVJOJB-UHFFFAOYSA-N	-1	381.182	GD	1.772	1	Mild	mid	GDEAMM	C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC	 
C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000002916178	53/31/13/530533113	CRNOCXMZPVJOJB-UHFFFAOYSA-N	-1	381.182	GD	1.772	1	Mild	mid	GDEAMM	C=CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC	 
C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000002916178	53/31/12/530533112	CRNOCXMZPVJOJB-UHFFFAOYSA-N	0	381.182	GD	1.772	1	Mild	mid	GDEAMN	C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	 
C=CCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000002916178	53/31/08/530533108	CRNOCXMZPVJOJB-UHFFFAOYSA-N	-1	381.182	GD	1.772	0	Mild	ref	GDEARM	C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	 
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000002991530	32/40/10/570324010	MTDSXAWDPFISDF-OQLLNIDSSA-N	0	399.79	GD	1.871	2	Clean	low	GDCALN	NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	 
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000002991530	32/40/09/570324009	MTDSXAWDPFISDF-OQLLNIDSSA-N	-1	399.79	GD	1.871	0	Clean	ref	GDCARM	NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	 
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)O	ZINC000003388155	47/65/48/206476548	LIZYWYRZVSABGC-UHFFFAOYSA-N	-1	398.824	GD	1.411	0	Clean	ref	GDCARM	COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)[O-]	 
CCOC(=O)c1cnc(SCC(=O)Nc2cccc(C(=O)O)c2)nc1N	ZINC000004384493	72/55/49/570725549	QKKOFVXCOZDTIM-UHFFFAOYSA-N	-1	376.394	GD	1.664	0	Anodyne	ref	GDAARM	CCOC(=O)c1cnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)nc1N	 
CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ncc(C#N)c(N)n3)ccc21	ZINC000004414008	74/93/39/570749339	PQMMDTTUBBDFNL-UHFFFAOYSA-N	0	397.464	GD	1.817	0	Mild	ref	GDEARN	CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ncc(C#N)c(N)n3)ccc21	 
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O	ZINC000004472088	37/63/28/570376328	SARNVXBXZWABOW-NTUHNPAUSA-N	-1	395.389	GD	1.758	0	Anodyne	ref	GDAARM	CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	 
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004473879	37/66/55/570376655	LCMQUNGDEIUEDO-PTNGSMBKSA-N	0	385.351	GD	1.922	2	Clean	low	GDCALN	O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	 
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000004473879	37/66/53/570376653	LCMQUNGDEIUEDO-PTNGSMBKSA-N	-1	385.351	GD	1.922	0	Clean	ref	GDCARM	O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	 
NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000004544600	38/29/92/570382992	QMMFNABITJJWAP-LCYFTJDESA-N	0	399.403	GD	1.521	1	Clean	mid	GDCAMN	NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	 
NC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000004544600	38/29/89/570382989	QMMFNABITJJWAP-LCYFTJDESA-N	-1	399.403	GD	1.521	0	Clean	ref	GDCARM	NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	 
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000004591820	38/59/84/570385984	LRBGEDKZQSYPPH-RUDMXATFSA-N	-1	398.824	GD	1.157	1	Clean	mid	GDCAMM	COC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OC	 
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC	ZINC000004591820	38/59/69/570385969	LRBGEDKZQSYPPH-RUDMXATFSA-N	0	398.824	GD	1.157	0	Clean	ref	GDCARN	COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC	 
CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000004672604	53/65/42/530536542	OTRJQKKUMPFLIK-UHFFFAOYSA-N	-1	386.145	GD	1.439	1	Clean	mid	GDCAMM	CCOc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1I	 
CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000004672604	53/65/40/530536540	OTRJQKKUMPFLIK-UHFFFAOYSA-N	-1	386.145	GD	1.439	1	Clean	mid	GDCAMM	CCOc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1I	 
CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000004672604	53/65/39/530536539	OTRJQKKUMPFLIK-UHFFFAOYSA-N	0	386.145	GD	1.439	1	Clean	mid	GDCAMN	CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	 
CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1I	ZINC000004672604	53/65/33/530536533	OTRJQKKUMPFLIK-UHFFFAOYSA-N	-1	386.145	GD	1.439	0	Clean	ref	GDCARM	CCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1I	 
CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O	ZINC000004682168	54/16/88/206541688	QCMMNMJUCITRLP-RIYZIHGNSA-N	0	389.433	GD	1.865	0	Anodyne	ref	GDAARN	CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O	 
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(N)=O	ZINC000004699378	39/45/39/570394539	IVQANKUFXHSQPA-OVCLIPMQSA-N	0	399.378	GD	1.791	0	Anodyne	ref	GDAARN	COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(N)=O	 
NC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000004702391	84/28/10/570842810	RSIZGMFCJHGTLL-CXUHLZMHSA-N	0	396.359	GD	1.552	0	Bother	ref	GDBARN	NC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	 
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(C(=O)O)cc1	ZINC000004703311	39/54/63/570395463	ZWWDNLQRGWJMTF-NTUHNPAUSA-N	-1	380.312	GD	1.78	2	Clean	low	GDCALM	O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1	 
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(C(=O)O)cc1	ZINC000004703311	39/54/61/570395461	ZWWDNLQRGWJMTF-NTUHNPAUSA-N	-2	380.312	GD	1.78	0	Clean	ref	GDCARL	O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1	 
CN1C(=O)C(=Cc2ccc(OCC(=O)O)c(Br)c2)C(=O)N(C)C1=O	ZINC000004704527	53/65/53/530536553	FZTJTACKUKWIHV-UHFFFAOYSA-N	-1	397.181	GD	1.346	0	Clean	ref	GDCARM	CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)C(=O)N(C)C1=O	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C(=O)O)cc1	ZINC000004704577	39/58/31/570395831	MWADCCMOYPULHW-UHFFFAOYSA-N	-1	396.355	GD	1.722	1	Clean	mid	GDCAMM	COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	 
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C(=O)O)cc1	ZINC000004704577	39/58/26/570395826	MWADCCMOYPULHW-UHFFFAOYSA-N	-2	396.355	GD	1.722	0	Clean	ref	GDCARL	COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1	ZINC000004723722	39/77/79/570397779	IFSWCPOKWFOQQZ-UHFFFAOYSA-N	-2	382.397	GD	1.878	1	Clean	mid	GDCAML	O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1	 
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1	ZINC000004723722	39/77/73/570397773	IFSWCPOKWFOQQZ-UHFFFAOYSA-N	-1	382.397	GD	1.878	0	Clean	ref	GDCARM	O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C(=O)NC1=S	ZINC000004723740	04/24/57/571042457	XDQADBGATKFYSK-XYOKQWHBSA-N	-1	390.417	GD	1.06	1	Mild	mid	GDEAMM	C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C(=O)NC1=S	ZINC000004723740	04/24/49/571042449	XDQADBGATKFYSK-XYOKQWHBSA-N	0	390.417	GD	1.06	0	Mild	ref	GDEARN	C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C(=O)NC1=S	 
COc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc(Br)c1OC	ZINC000004723781	53/64/32/530536432	SNYHNFQERBKCPA-YWEYNIOJSA-N	-1	385.239	GD	1.723	1	Clean	mid	GDCAMM	COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OC	 
COc1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc(Br)c1OC	ZINC000004723781	53/64/30/530536430	SNYHNFQERBKCPA-YWEYNIOJSA-N	0	385.239	GD	1.723	0	Clean	ref	GDCARN	COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OC	 
CN1C(=O)C(=Cc2ccc(I)cc2)C(=O)N(C)C1=S	ZINC000004723948	53/67/78/530536778	PPJFULRYFNOVRS-UHFFFAOYSA-N	0	386.214	GD	1.89	0	Clean	ref	GDCARN	CN1C(=O)C(=Cc2ccc(I)cc2)C(=O)N(C)C1=S	 
CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C(=O)NC1=S	ZINC000004724057	54/67/72/206546772	PQHUFNCZURVCSI-XBXARRHUSA-N	-2	399.222	GD	1.169	1	Clean	mid	GDCAML	CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S	 
CN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C(=O)NC1=S	ZINC000004724057	54/67/70/206546770	PQHUFNCZURVCSI-XBXARRHUSA-N	-1	399.222	GD	1.169	0	Clean	ref	GDCARM	CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C(=O)NC1=S	 
CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(OC)c2)C(=O)N(CC)C1=S	ZINC000004724065	39/77/53/570397753	FARMANIUJUKNBU-UHFFFAOYSA-N	-1	392.433	GD	1.537	0	Clean	ref	GDCARM	CCN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(OC)c2)C(=O)N(CC)C1=S	 
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)O	ZINC000004725175	39/81/20/570398120	MODSKCSNMNTWOF-JTQLQIEISA-N	-1	392.433	GD	1.536	0	Clean	ref	GDCARM	CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	 
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)O	ZINC000004725177	39/82/70/570398270	MODSKCSNMNTWOF-SNVBAGLBSA-N	-1	392.433	GD	1.536	0	Clean	ref	GDCARM	CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	 
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])cc(Br)c1O	ZINC000004755214	52/28/04/209522804	XLHWGYXMPGPKGY-JTQLQIEISA-N	-1	386.158	GD	1.864	0	Clean	ref	GDCARM	COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc([N+](=O)[O-])cc(Br)c1[O-]	 
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1O	ZINC000004755215	53/68/22/530536822	XLHWGYXMPGPKGY-SNVBAGLBSA-N	-1	386.158	GD	1.864	0	Clean	ref	GDCARM	COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1[O-]