Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000000622215	21/06/09/570210609	QATHNKNPUVVKHK-UHFFFAOYSA-N	0	388.471	GF	2.873	0	Anodyne	ref	GFAARN	Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C	 
COc1cc(C(N)=O)cc(I)c1OCc1ccccc1	ZINC000000622374	24/99/72/209249972	VDPBKRQRVKTMNJ-UHFFFAOYSA-N	0	383.185	GF	2.978	0	Anodyne	ref	GFAARN	COc1cc(C(N)=O)cc(I)c1OCc1ccccc1	 
COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC	ZINC000000638844	21/32/55/570213255	XYIHGRKFGGFWPL-OVCLIPMQSA-N	0	386.379	GF	2.944	0	Anodyne	ref	GFAARN	COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC	 
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)o1	ZINC000000658645	25/66/05/209256605	SCVKJZGAQVVCSF-XYOKQWHBSA-N	-1	387.373	GF	2.96	1	Clean	mid	GFCAMM	COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)o1	 
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(C)C(=S)N=C2O)o1	ZINC000000658645	25/66/02/209256602	SCVKJZGAQVVCSF-XYOKQWHBSA-N	0	387.373	GF	2.96	0	Clean	ref	GFCARN	COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)o1	 
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O	ZINC000000661053	21/50/54/570215054	LRNLOVHPQMGSQV-OQLLNIDSSA-N	0	382.441	GF	2.849	1	Clean	mid	GFCAMN	COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O	 
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O	ZINC000000661053	21/50/51/570215051	LRNLOVHPQMGSQV-OQLLNIDSSA-N	-1	382.441	GF	2.849	0	Clean	ref	GFCARM	COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O	 
CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br	ZINC000000681329	31/67/00/206316700	SFPWHIZIDYPRBB-WEVVVXLNSA-N	-1	390.031	GF	2.791	1	Anodyne	mid	GFAAMM	CCOc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1Br	 
CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br	ZINC000000681329	31/66/98/206316698	SFPWHIZIDYPRBB-WEVVVXLNSA-N	0	390.031	GF	2.791	0	Anodyne	ref	GFAARN	CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br	 
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(Br)o1	ZINC000000683305	25/90/42/209259042	QNCISGIHSJVIRJ-MRVPVSSYSA-N	0	394.019	GF	2.606	0	Anodyne	ref	GFAARN	COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(Br)o1	 
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(Br)o1	ZINC000000683306	31/64/06/206316406	QNCISGIHSJVIRJ-QMMMGPOBSA-N	0	394.019	GF	2.606	0	Anodyne	ref	GFAARN	COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(Br)o1	 
CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O	ZINC000000684062	21/74/90/570217490	DHSQYFUMGHBRNV-ZDUSSCGKSA-N	-1	399.241	GF	2.697	3	Anodyne	high	GFAAHM	CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1[O-]	 
CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O	ZINC000000684062	21/74/89/570217489	DHSQYFUMGHBRNV-ZDUSSCGKSA-N	0	399.241	GF	2.697	0	Anodyne	ref	GFAARN	CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O	 
CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O	ZINC000000684063	31/67/75/206316775	DHSQYFUMGHBRNV-CYBMUJFWSA-N	-1	399.241	GF	2.697	3	Anodyne	high	GFAAHM	CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1[O-]	 
CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O	ZINC000000684063	31/67/73/206316773	DHSQYFUMGHBRNV-CYBMUJFWSA-N	0	399.241	GF	2.697	0	Anodyne	ref	GFAARN	CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O	 
CCOc1ccc(Br)cc1[C@@H]1NC(=O)N(C)C(C)=C1C(=O)OC	ZINC000000684068	21/75/09/570217509	GHCXWIBKDBGUOP-AWEZNQCLSA-N	0	383.242	GF	2.991	0	Anodyne	ref	GFAARN	CCOc1ccc(Br)cc1[C@@H]1NC(=O)N(C)C(C)=C1C(=O)OC	 
CCOc1ccc(Br)cc1[C@H]1NC(=O)N(C)C(C)=C1C(=O)OC	ZINC000000684069	21/74/97/570217497	GHCXWIBKDBGUOP-CQSZACIVSA-N	0	383.242	GF	2.991	0	Anodyne	ref	GFAARN	CCOc1ccc(Br)cc1[C@H]1NC(=O)N(C)C(C)=C1C(=O)OC	 
COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(Br)cc21	ZINC000000684549	31/63/93/206316393	JXIUVXZVYBQZAB-QGZVFWFLSA-N	0	376.206	GF	2.87	0	Anodyne	ref	GFAARN	COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(Br)cc21	 
COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21	ZINC000000684550	21/79/78/570217978	JXIUVXZVYBQZAB-KRWDZBQOSA-N	0	376.206	GF	2.87	0	Anodyne	ref	GFAARN	COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21	 
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)cc1	ZINC000000759579	39/28/77/524392877	NXHAJRXISFUMEU-XYOKQWHBSA-N	0	391.177	GF	2.717	2	Clean	low	GFCALN	COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)o3)C2=O)cc1	 
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)cc1	ZINC000000759579	39/28/62/524392862	NXHAJRXISFUMEU-XYOKQWHBSA-N	-1	391.177	GF	2.717	0	Clean	ref	GFCARM	COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1	 
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	ZINC000000843148	18/84/72/212188472	AHXCATBYGKOQHP-LICLKQGHSA-N	0	380.4	GF	2.987	2	Clean	low	GFCALN	COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	 
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	ZINC000000843148	18/84/69/212188469	AHXCATBYGKOQHP-LICLKQGHSA-N	-1	380.4	GF	2.987	0	Clean	ref	GFCARM	COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	 
CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1	ZINC000000876140	19/22/61/212192261	RLDLIZZXZODLLL-VBKFSLOCSA-N	0	383.404	GF	2.801	2	Clean	low	GFCALN	CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1	 
CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)o1	ZINC000000876140	19/22/55/212192255	RLDLIZZXZODLLL-VBKFSLOCSA-N	-1	383.404	GF	2.801	0	Clean	ref	GFCARM	CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)o1	 
CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000000980919	23/29/64/570232964	QYKYHUJHQPKSIS-GZTJUZNOSA-N	0	398.39	GF	2.861	0	Anodyne	ref	GFAARN	CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O	 
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O	ZINC000000981286	23/30/51/570233051	KMXYCFJFTPKVEW-XVBMGZJVSA-N	0	393.417	GF	2.802	0	Anodyne	ref	GFAARN	CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O	 
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O	ZINC000000981288	33/83/46/206338346	KMXYCFJFTPKVEW-MIJYTDESSA-N	0	393.417	GF	2.802	0	Anodyne	ref	GFAARN	CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O	 
CCOC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O	ZINC000000981422	28/53/37/209285337	NNXBFCBTBGOLQD-MLPAPPSSSA-N	0	385.825	GF	2.957	0	Anodyne	ref	GFAARN	CCOC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O	 
COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000991578	34/02/04/206340204	BZCVHAKUQVVSCE-GOSISDBHSA-N	0	377.404	GF	2.714	0	Anodyne	ref	GFAARN	COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)cc1	 
COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000991579	20/33/92/212203392	BZCVHAKUQVVSCE-SFHVURJKSA-N	0	377.404	GF	2.714	0	Anodyne	ref	GFAARN	COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)cc1	 
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OCC)c1	ZINC000000997474	34/09/84/206340984	GRWHXHHRHFIITA-ZDUSSCGKSA-N	-1	399.241	GF	2.744	3	Anodyne	high	GFAAHM	CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c([O-])c(OCC)c1	 
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OCC)c1	ZINC000000997474	34/09/80/206340980	GRWHXHHRHFIITA-ZDUSSCGKSA-N	0	399.241	GF	2.744	0	Anodyne	ref	GFAARN	CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(O)c(OCC)c1	 
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OCC)c1	ZINC000000997475	28/70/73/209287073	GRWHXHHRHFIITA-CYBMUJFWSA-N	-1	399.241	GF	2.744	3	Anodyne	high	GFAAHM	CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c([O-])c(OCC)c1	 
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OCC)c1	ZINC000000997475	28/70/68/209287068	GRWHXHHRHFIITA-CYBMUJFWSA-N	0	399.241	GF	2.744	0	Anodyne	ref	GFAARN	CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(O)c(OCC)c1	 
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1Br	ZINC000000997852	20/40/74/212204074	FGNOISQTHYASFS-ZDUSSCGKSA-N	0	385.283	GF	2.814	1	Anodyne	mid	GFAAMN	CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)ccc1Br	 
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1Br	ZINC000000997852	20/40/70/212204070	FGNOISQTHYASFS-ZDUSSCGKSA-N	0	385.283	GF	2.814	0	Anodyne	ref	GFAARN	CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1Br	 
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1Br	ZINC000000997853	09/16/82/551091682	FGNOISQTHYASFS-CYBMUJFWSA-N	0	385.283	GF	2.814	1	Anodyne	mid	GFAAMN	CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)ccc1Br	 
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1Br	ZINC000000997853	09/16/80/551091680	FGNOISQTHYASFS-CYBMUJFWSA-N	0	385.283	GF	2.814	0	Anodyne	ref	GFAARN	CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1Br	 
CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21	ZINC000001007339	20/43/41/212204341	KTQXHMCTPUMOBD-KRWDZBQOSA-N	0	375.222	GF	2.671	0	Anodyne	ref	GFAARN	CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21	 
CCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21	ZINC000001007340	09/17/92/551091792	KTQXHMCTPUMOBD-QGZVFWFLSA-N	0	375.222	GF	2.671	0	Anodyne	ref	GFAARN	CCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2cc(Br)ccc21	 
Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(C(=O)O)cc3C)C(=O)NC2=S)cc1	ZINC000001095340	30/02/48/209300248	KUFFTQZDPCPLJI-LKKXKRCMSA-N	-1	395.44	GF	2.768	1	Mild	mid	GFEAMM	Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3C)C(=O)NC2=S)cc1	 
Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(C(=O)O)cc3C)C(=O)NC2=S)cc1	ZINC000001095340	30/02/44/209300244	KUFFTQZDPCPLJI-LKKXKRCMSA-N	-2	395.44	GF	2.768	0	Mild	ref	GFEARL	Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3C)C(=O)[N-]C2=S)cc1	 
N#Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001097161	35/19/04/206351904	MNNVFKUBDWSGNN-DHDCSXOGSA-N	0	396.2	GF	2.987	2	Mild	low	GFEALN	N#Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	 
N#Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001097161	35/18/99/206351899	MNNVFKUBDWSGNN-DHDCSXOGSA-N	-1	396.2	GF	2.987	0	Mild	ref	GFEARM	N#Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	 
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br	ZINC000001124193	30/37/30/209303730	JXKPELVSQRSHES-AWEZNQCLSA-N	0	399.241	GF	2.744	0	Anodyne	ref	GFAARN	CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(O)cc1Br	 
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(O)cc1Br	ZINC000001124195	09/17/33/551091733	JXKPELVSQRSHES-CQSZACIVSA-N	0	399.241	GF	2.744	0	Anodyne	ref	GFAARN	CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(O)cc1Br	 
COC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000001125748	21/99/16/212219916	CWRYPUUBTQOMSH-CXUHLZMHSA-N	0	386.791	GF	2.989	0	Anodyne	ref	GFAARN	COC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	 
COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2	ZINC000001126366	35/64/52/206356452	PJNTXURRBATSRY-VIZOYTHASA-N	0	394.383	GF	2.707	2	Clean	low	GFCALN	COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2	 
COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2	ZINC000001126366	35/64/47/206356447	PJNTXURRBATSRY-VIZOYTHASA-N	-1	394.383	GF	2.707	0	Clean	ref	GFCARM	COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2	 
COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c(OC)c1	ZINC000001127286	24/44/95/570244495	IXPUKALQKMCALF-VWQNNZLTSA-N	0	384.413	GF	2.684	1	Clean	mid	GFCAMN	COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c(OC)c1	 
COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c(OC)c1	ZINC000001127286	24/44/90/570244490	IXPUKALQKMCALF-VWQNNZLTSA-N	-1	384.413	GF	2.684	0	Clean	ref	GFCARM	COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c(OC)c1	 
Cc1cc(N2CCOCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O	ZINC000001132519	35/69/98/206356998	DLZKKYVZRBNMCA-XSFVSMFZSA-N	0	377.444	GF	2.925	0	Clean	ref	GFCARN	Cc1cc(N2CCOCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O	 
COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3)C1=O)OCO2	ZINC000001134953	24/69/99/570246999	AJVXTWCIANLWRV-VGOFMYFVSA-N	0	396.424	GF	2.564	1	Clean	mid	GFCAMN	COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3)C1=O)OCO2	 
COc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3)C1=O)OCO2	ZINC000001134953	24/69/95/570246995	AJVXTWCIANLWRV-VGOFMYFVSA-N	-1	396.424	GF	2.564	0	Clean	ref	GFCARM	COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(C)c3)C1=O)OCO2	 
COc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O	ZINC000001135615	35/73/55/206357355	YKVPXVLWBWJLED-UHFFFAOYSA-N	0	375.171	GF	2.508	0	Anodyne	ref	GFAARN	COc1cc(C(OC(C)=O)OC(C)=O)c(Br)cc1OC(C)=O	 
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)cc(OC)c1OC	ZINC000001136717	22/21/03/212222103	BZGFFOHPYLPPOL-CYBMUJFWSA-N	0	399.241	GF	2.609	0	Anodyne	ref	GFAARN	COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)cc(OC)c1OC	 
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)cc(OC)c1OC	ZINC000001136718	35/89/12/206358912	BZGFFOHPYLPPOL-ZDUSSCGKSA-N	0	399.241	GF	2.609	0	Anodyne	ref	GFAARN	COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)cc(OC)c1OC	 
CCN1C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C(=O)N(CC)C1=S	ZINC000001139842	24/73/96/570247396	IGZAESNCJOBZCI-UHFFFAOYSA-N	0	383.473	GF	2.865	0	Clean	ref	GFCARN	CCN1C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C(=O)N(CC)C1=S	 
O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccc1	ZINC000001140856	24/78/36/570247836	ROHVCHJIMUFWTF-MRXNPFEDSA-N	0	393.18	GF	2.704	0	Anodyne	ref	GFAARN	O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccc1	 
O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccc1	ZINC000001140857	22/17/52/212221752	ROHVCHJIMUFWTF-INIZCTEOSA-N	0	393.18	GF	2.704	0	Anodyne	ref	GFAARN	O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1ccccc1	 
COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N=C3O)c2C)c([N+](=O)[O-])c1	ZINC000001147488	35/96/37/206359637	BHGDRFFVRZHFEM-UHFFFAOYSA-N	0	384.348	GF	2.601	1	Clean	mid	GFCAMN	COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c([N+](=O)[O-])c1	 
COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N=C3O)c2C)c([N+](=O)[O-])c1	ZINC000001147488	35/96/34/206359634	BHGDRFFVRZHFEM-UHFFFAOYSA-N	-1	384.348	GF	2.601	0	Clean	ref	GFCARM	COc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c([N+](=O)[O-])c1	 
CCN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(CC)C1=S	ZINC000001149212	22/31/80/212223180	TZHLPYFJEAGVGP-UHFFFAOYSA-N	1	396.516	GF	2.922	2	Clean	low	GFCALO	CCN1C(=O)C(=Cc2cccn2-c2ccc([NH+](C)C)cc2)C(=O)N(CC)C1=S	 
CCN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(CC)C1=S	ZINC000001149212	22/31/76/212223176	TZHLPYFJEAGVGP-UHFFFAOYSA-N	0	396.516	GF	2.922	0	Clean	ref	GFCARN	CCN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(CC)C1=S	 
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1C	ZINC000001151419	24/92/19/570249219	QIPDVKDOCFYJSD-XNTDXEJSSA-N	0	384.363	GF	2.818	2	Clean	low	GFCALN	COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1C	 
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1C	ZINC000001151419	24/92/17/570249217	QIPDVKDOCFYJSD-XNTDXEJSSA-N	-1	384.363	GF	2.818	0	Clean	ref	GFCARM	COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1C	 
C=CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)NC1=S	ZINC000001153176	24/85/01/206248501	NAEDSDFAVRFGMP-LFIBNONCSA-N	-1	382.441	GF	2.67	1	Mild	mid	GFEAMM	C=CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)NC1=S	ZINC000001153176	24/84/96/206248496	NAEDSDFAVRFGMP-LFIBNONCSA-N	-1	382.441	GF	2.67	0	Mild	ref	GFEARM	C=CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(=O)NC1=S	 
COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCc1ccccc1	ZINC000001155239	30/78/06/209307806	UZSPGHMERMOIAN-UHFFFAOYSA-N	0	396.468	GF	2.873	0	Clean	ref	GFCARN	COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCc1ccccc1	 
C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1O	ZINC000001157295	25/11/75/570251175	OMMDRMQCKBXGQQ-NTEUORMPSA-N	0	377.418	GF	2.729	0	Mild	ref	GFEARN	C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(OCC)c1O	 
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(Br)c1OC	ZINC000001158917	48/05/93/220480593	UZSJJHGMEFRFDH-LLVKDONJSA-N	0	389.633	GF	2.912	0	Anodyne	ref	GFAARN	COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(Br)c1OC	 
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(Br)c1OC	ZINC000001158918	25/13/44/570251344	UZSJJHGMEFRFDH-NSHDSACASA-N	0	389.633	GF	2.912	0	Anodyne	ref	GFAARN	COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(Br)c1OC	 
O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1cccs1	ZINC000001159826	25/13/61/570251361	DIUYCMRYPRTQIP-CQSZACIVSA-N	0	399.209	GF	2.765	0	Anodyne	ref	GFAARN	O=C(C[C@]1(O)C(=O)Nc2ccc(I)cc21)c1cccs1	 
O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1cccs1	ZINC000001159827	36/24/63/206362463	DIUYCMRYPRTQIP-AWEZNQCLSA-N	0	399.209	GF	2.765	0	Anodyne	ref	GFAARN	O=C(C[C@@]1(O)C(=O)Nc2ccc(I)cc21)c1cccs1	 
CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1	ZINC000001160882	36/16/20/206361620	UMQAKZYVUCWFFU-UHFFFAOYSA-N	-1	380.448	GF	2.69	3	Clean	high	GFCAHM	CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)cc1	 
CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1	ZINC000001160882	36/16/18/206361618	UMQAKZYVUCWFFU-UHFFFAOYSA-N	1	380.448	GF	2.69	2	Clean	low	GFCALO	CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1	 
COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1	ZINC000001160902	25/18/33/570251833	QZXSWCBHNBRGHJ-OQLLNIDSSA-N	0	386.404	GF	2.674	1	Clean	mid	GFCAMN	COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1	 
COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1	ZINC000001160902	25/18/31/570251831	QZXSWCBHNBRGHJ-OQLLNIDSSA-N	-1	386.404	GF	2.674	0	Clean	ref	GFCARM	COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c1	 
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N=C2O)c1C	ZINC000001161790	25/20/01/570252001	WJQUOHYYSXGEBI-UHFFFAOYSA-N	0	384.348	GF	2.601	1	Clean	mid	GFCAMN	COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C	 
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N=C2O)c1C	ZINC000001161790	25/19/99/570251999	WJQUOHYYSXGEBI-UHFFFAOYSA-N	-1	384.348	GF	2.601	0	Clean	ref	GFCARM	COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C	 
COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C	ZINC000001163074	25/19/92/570251992	XPYFGVQCMCSPHJ-UHFFFAOYSA-N	-1	389.864	GF	2.67	1	Clean	mid	GFCAMM	COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C	 
COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C	ZINC000001163074	25/19/90/570251990	XPYFGVQCMCSPHJ-UHFFFAOYSA-N	0	389.864	GF	2.67	0	Clean	ref	GFCARN	COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C	 
COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccccc1	ZINC000001169110	25/30/57/570253057	AHZGHGOOCGWVJD-UHFFFAOYSA-N	0	380.4	GF	2.708	0	Clean	ref	GFCARN	COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccccc1	 
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000001172838	31/04/26/209310426	XHNNPVFZCIQPCG-UHFFFAOYSA-N	0	398.444	GF	2.601	0	Clean	ref	GFCARN	Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	 
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)NC1=S	ZINC000001175789	24/90/55/206249055	VWGYTNSEJWKGOV-LDADJPATSA-N	-1	395.484	GF	2.915	1	Mild	mid	GFEAMM	C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)NC1=S	ZINC000001175789	24/90/50/206249050	VWGYTNSEJWKGOV-LDADJPATSA-N	-1	395.484	GF	2.915	0	Mild	ref	GFEARM	C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)NC1=S	 
Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1[N+](=O)[O-]	ZINC000001175992	22/60/92/212226092	NIYCRONCNOBURM-UHFFFAOYSA-N	0	396.403	GF	2.745	0	Clean	ref	GFCARN	Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1[N+](=O)[O-]	 
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C	ZINC000001176078	25/40/58/570254058	MTXFVPDHAQSPFU-UHFFFAOYSA-N	0	396.403	GF	2.745	0	Clean	ref	GFCARN	Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C	 
COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000001176143	25/44/42/570254442	WZAZEHVLGZXNHP-GZTJUZNOSA-N	0	378.384	GF	2.756	2	Clean	low	GFCALN	COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	 
COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000001176143	25/44/39/570254439	WZAZEHVLGZXNHP-GZTJUZNOSA-N	-1	378.384	GF	2.756	0	Clean	ref	GFCARM	COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	 
COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)c(C)c1	ZINC000001176752	31/09/18/209310918	LRFNJUGMMBWMJO-UHFFFAOYSA-N	0	398.44	GF	2.64	0	Clean	ref	GFCARN	COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)c(C)c1	 
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S	ZINC000001178248	10/12/07/212101207	BVMZLQNCQAYDJP-GZTJUZNOSA-N	-1	381.457	GF	2.612	1	Mild	mid	GFEAMM	C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)[N-]C1=S	 
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S	ZINC000001178248	10/12/02/212101202	BVMZLQNCQAYDJP-GZTJUZNOSA-N	0	381.457	GF	2.612	0	Mild	ref	GFEARN	C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C(=O)NC1=S	 
CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1	ZINC000001180526	25/51/86/570255186	PVSCQFLWHYTJNR-UHFFFAOYSA-N	0	398.44	GF	2.722	0	Clean	ref	GFCARN	CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1	 
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1	ZINC000001184264	25/62/19/570256219	TWHCWMTXAYMQOL-UHFFFAOYSA-N	0	385.401	GF	2.762	0	Clean	ref	GFCARN	Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1	 
Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000001185803	22/74/36/212227436	HXMHKVXQEWQIRD-UHFFFAOYSA-N	0	377.322	GF	2.862	1	Clean	mid	GFCAMN	Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	 
Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000001185803	22/74/34/212227434	HXMHKVXQEWQIRD-UHFFFAOYSA-N	-1	377.322	GF	2.862	0	Clean	ref	GFCARM	Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	 
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000001186548	36/56/77/206365677	AGIMKCSWOGGFKY-UHFFFAOYSA-N	0	398.444	GF	2.601	0	Clean	ref	GFCARN	Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	 
Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1[N+](=O)[O-]	ZINC000001186843	22/69/72/212226972	WUFOMZVBKCPLQB-UHFFFAOYSA-N	0	385.401	GF	2.762	0	Clean	ref	GFCARN	Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1[N+](=O)[O-]