CC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C	ZINC000795018391	FE	On-Demand	Anodyne	PAPA1_CARPA	39	51
CC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C	ZINC000795018391	FE	On-Demand	Anodyne	CTSK	19	45
CC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C	ZINC000795018391	FE	On-Demand	Anodyne	PGA5	22	40
CC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C	ZINC000795018391	FE	On-Demand	Anodyne	POLG_HCV1	25	47
CC(C)(C)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C	ZINC000795018391	FE	On-Demand	Anodyne	FPR1	45	38
CCCCCCCCCNC(=O)[C@](C)(C#N)CC	ZINC000795035039	CH	On-Demand	Mild	ASAH1	76	33
CCCCCCCCCNC(=O)[C@@](C)(C#N)CC	ZINC000795035041	CH	On-Demand	Mild	ASAH1	76	33
CCCCCCCCCNC(=O)[C@H](O)C(C)C	ZINC000795035074	BF	On-Demand	Mild	S1PR3	15	45
CCCCCCCCCNC(=O)[C@H](O)C(C)C	ZINC000795035074	BF	On-Demand	Mild	S1PR2	25	45
CCCCCCCCCNC(=O)[C@H](O)C(C)C	ZINC000795035074	BF	On-Demand	Mild	EPHX2	18	45
CCCCCCCCCNC(=O)[C@H](O)C(C)C	ZINC000795035074	BF	On-Demand	Mild	ASAH1	98	36
CCCCCCCCCNC(=O)[C@H](O)C(C)C	ZINC000795035074	BF	On-Demand	Mild	NOD1	46	40
CCCCCCCCCNC(=O)[C@H](O)C(C)C	ZINC000795035074	BF	On-Demand	Mild	CQSS	65	44
COC(=O)[C@@H](CO)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795036237	DB	On-Demand	Anodyne	PAPA1_CARPA	40	41
COC(=O)[C@@H](CO)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795036237	DB	On-Demand	Anodyne	CTSK	17	47
COC(=O)[C@@H](CO)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795036237	DB	On-Demand	Anodyne	FPR1	44	36
COC(=O)[C@@H](CO)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795036239	DB	On-Demand	Anodyne	PAPA1_CARPA	40	41
COC(=O)[C@@H](CO)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795036239	DB	On-Demand	Anodyne	CTSK	17	47
COC(=O)[C@@H](CO)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795036239	DB	On-Demand	Anodyne	FPR1	44	36
CC[C@H](C)[C@H](NC(C)=O)C(=O)NOC	ZINC000795036943	BC	On-Demand	Anodyne	ENPEP	74	35
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCNS(C)(=O)=O	ZINC000795037020	FB	On-Demand	Anodyne	PAPA1_CARPA	40	45
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCNS(C)(=O)=O	ZINC000795037020	FB	On-Demand	Anodyne	CTSK	15	45
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCNS(C)(=O)=O	ZINC000795037021	FB	On-Demand	Anodyne	PAPA1_CARPA	40	45
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCNS(C)(=O)=O	ZINC000795037021	FB	On-Demand	Anodyne	CTSK	15	45
CCCCC[C@@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000795037028	CF	On-Demand	Anodyne	ENPEP	67	35
CCCCC[C@@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000795037028	CF	On-Demand	Anodyne	NOD1	45	33
CCCCC[C@@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000795037028	CF	On-Demand	Anodyne	CQSS	50	32
CCCCC[C@@H](C)NC(=O)CCCOC(C)(C)C	ZINC000795037032	CH	On-Demand	Anodyne	CTSK	17	48
CCCCC[C@@H](C)NC(=O)CCCOC(C)(C)C	ZINC000795037032	CH	On-Demand	Anodyne	CELA2A	15	47
CCCCC[C@@H](C)NC(=O)CCCOC(C)(C)C	ZINC000795037032	CH	On-Demand	Anodyne	NOD1	97	43
CCCCC[C@@H](C)NC(=O)[C@H](O)C(C)C	ZINC000795037043	BE	On-Demand	Anodyne	PDF	42	37
CCCCC[C@@H](C)NC(=O)[C@H](O)C(C)C	ZINC000795037043	BE	On-Demand	Anodyne	NOD1	52	37
CCCCC[C@@H](C)NC(=O)[C@H](O)C(C)C	ZINC000795037043	BE	On-Demand	Anodyne	CQSS	58	38
CCCCC[C@@H](C)NC(=O)COC(F)F	ZINC000795037096	BE	On-Demand	Anodyne	NOD1	80	37
CCCCC[C@@H](C)NC(=O)CCN(C)C(=O)OC(C)(C)C	ZINC000795037116	DG	On-Demand	Anodyne	PDF	41	36
CCCCC[C@@H](C)NC(=O)CCN(C)C(=O)OC(C)(C)C	ZINC000795037116	DG	On-Demand	Anodyne	PGA5	22	40
CCCCC[C@@H](C)NC(=O)CCN(C)C(=O)OC(C)(C)C	ZINC000795037116	DG	On-Demand	Anodyne	NOD1	81	36
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037286	DB	On-Demand	Anodyne	PAPA1_CARPA	39	44
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037286	DB	On-Demand	Anodyne	CTSK	16	44
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037286	DB	On-Demand	Anodyne	POLG_HCV1	24	41
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037286	DB	On-Demand	Anodyne	FPR1	47	41
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037294	DB	On-Demand	Anodyne	PAPA1_CARPA	39	44
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037294	DB	On-Demand	Anodyne	CTSK	16	44
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037294	DB	On-Demand	Anodyne	POLG_HCV1	24	41
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000795037294	DB	On-Demand	Anodyne	FPR1	47	41
CCCCC[C@@H](C)NC(=O)CC[C@H](C)CC	ZINC000795037741	BH	On-Demand	Anodyne	NOD1	101	46
CCCCC[C@@H](C)NC(=O)CC[C@H](C)CC	ZINC000795037741	BH	On-Demand	Anodyne	CQSS	60	37
CCCCC[C@@H](C)NC(=O)CC[C@@H](C)CC	ZINC000795037744	BH	On-Demand	Anodyne	NOD1	101	46
CCCCC[C@@H](C)NC(=O)CC[C@@H](C)CC	ZINC000795037744	BH	On-Demand	Anodyne	CQSS	60	37
CCCCC[C@@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795038400	DG	On-Demand	Anodyne	PAPA1_CARPA	38	46
CCCCC[C@@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795038400	DG	On-Demand	Anodyne	CTSK	32	52
CCCCC[C@@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795038400	DG	On-Demand	Anodyne	PGA5	27	47
CCCCC[C@@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795038400	DG	On-Demand	Anodyne	CTRB_BOVIN	21	42
CCCCC[C@@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795038400	DG	On-Demand	Anodyne	NOD1	55	33
CCCCC[C@@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795038405	DG	On-Demand	Anodyne	PAPA1_CARPA	38	46
CCCCC[C@@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795038405	DG	On-Demand	Anodyne	CTSK	32	52
CCCCC[C@@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795038405	DG	On-Demand	Anodyne	PGA5	27	47
CCCCC[C@@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795038405	DG	On-Demand	Anodyne	CTRB_BOVIN	21	42
CCCCC[C@@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795038405	DG	On-Demand	Anodyne	NOD1	55	33
COC(=O)[C@@H](CO)NC(=O)CCCOC(C)(C)C	ZINC000795038761	CC	On-Demand	Anodyne	NOD1	46	32
COC(=O)[C@H](CO)NC(=O)CCCOC(C)(C)C	ZINC000795038763	CC	On-Demand	Anodyne	NOD1	46	32
CC[C@@H](C)[C@@H](NC(=O)CCCOC(C)(C)C)C(=O)OC	ZINC000795044057	CE	On-Demand	Anodyne	NOD1	41	32
CC[C@@H](C)[C@H](NC(=O)CCCOC(C)(C)C)C(=O)OC	ZINC000795044059	CE	On-Demand	Anodyne	NOD1	41	32
COCCCON=C[C@H](C)NC(=O)OC(C)(C)C	ZINC000795049167	CD	On-Demand	Mild	CTSK	20	49
CCCCCCC(C)=NOCCCOC	ZINC000795053054	BG	On-Demand	Mild	CQSS	48	30
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCOC(C)C	ZINC000795069134	CD	On-Demand	Anodyne	CTSB	18	43
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCOC(C)C	ZINC000795069134	CD	On-Demand	Anodyne	CAPNS1	54	34
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCOC(C)C	ZINC000795069134	CD	On-Demand	Anodyne	HLA-DRB1	53	34
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCOC(C)C	ZINC000795069134	CD	On-Demand	Anodyne	CAPN1	55	48
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCOC(C)C	ZINC000795069134	CD	On-Demand	Anodyne	CAPN2	60	34
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCOC(C)C	ZINC000795069134	CD	On-Demand	Anodyne	Q9NAW4_PLAFA	24	42
CCCC[C@H](NC(N)=O)C(=O)NOCCOC(C)C	ZINC000795069576	CC	On-Demand	Anodyne	ENPEP	54	31
CCCC[C@H](NC(N)=O)C(=O)NOCCOC(C)C	ZINC000795069576	CC	On-Demand	Anodyne	NOD1	61	34
CCCC[C@@H](NC(N)=O)C(=O)NOCCOC(C)C	ZINC000795069580	CC	On-Demand	Anodyne	ENPEP	54	31
CCCC[C@@H](NC(N)=O)C(=O)NOCCOC(C)C	ZINC000795069580	CC	On-Demand	Anodyne	NOD1	61	34
CC[C@H](C)[C@H](NC(C)=O)C(=O)NOCCOC(C)C	ZINC000795089044	CD	On-Demand	Anodyne	ENPEP	58	33
CCCN(CC(C)C)C(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795103551	DG	On-Demand	Anodyne	CTSK	15	41
CCCN(CC(C)C)C(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795103552	DG	On-Demand	Anodyne	CTSK	15	41
CC(C)[C@H](CNC(=O)CC(C)(C)C(F)(F)F)NC(=O)OC(C)(C)C	ZINC000795105003	FH	On-Demand	Anodyne	CTSK	15	40
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCC(C)C	ZINC000795107438	DE	On-Demand	Anodyne	PAPA1_CARPA	37	44
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCC(C)C	ZINC000795107438	DE	On-Demand	Anodyne	CTSK	16	47
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCC(C)C	ZINC000795107438	DE	On-Demand	Anodyne	FPR1	44	38
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCC(C)C	ZINC000795107440	DE	On-Demand	Anodyne	PAPA1_CARPA	37	44
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCC(C)C	ZINC000795107440	DE	On-Demand	Anodyne	CTSK	16	47
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCC(C)C	ZINC000795107440	DE	On-Demand	Anodyne	FPR1	44	38
CC[C@@](C)(OC)C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000795160551	EG	On-Demand	Anodyne	CTSK	16	46
CC[C@@](C)(OC)C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000795160559	EG	On-Demand	Anodyne	CTSK	16	46
CCCCCC(C)(C)CNC(=O)CC(C)(C)C(F)(F)F	ZINC000795165088	CJ	On-Demand	Anodyne	CES2	46	38
CCCCCC(C)(C)CNC(=O)CC(C)(C)C(F)(F)F	ZINC000795165088	CJ	On-Demand	Anodyne	CES1	46	33
CCCCCC(C)(C)CNC(=O)CC(C)(C)C(F)(F)F	ZINC000795165088	CJ	On-Demand	Anodyne	EST1_PIG	63	38
CCCCCC(C)(C)CNC(=O)CC(C)(C)C(F)(F)F	ZINC000795165088	CJ	On-Demand	Anodyne	CES2C	55	38
C[C@H](CNC(=O)CCCOC(C)(C)C)N(C)C	ZINC000795168587	BD	On-Demand	Anodyne	CHRNA4	20	40
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC(C)(C)C	ZINC000795169111	GC	On-Demand	Anodyne	PAPA1_CARPA	40	45
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC(C)(C)C	ZINC000795169112	GC	On-Demand	Anodyne	PAPA1_CARPA	40	45
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)N(C)C	ZINC000795169999	DC	On-Demand	Anodyne	PAPA1_CARPA	42	50
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)N(C)C	ZINC000795169999	DC	On-Demand	Anodyne	CTSK	17	50
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)N(C)C	ZINC000795170000	DC	On-Demand	Anodyne	PAPA1_CARPA	42	50
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)N(C)C	ZINC000795170000	DC	On-Demand	Anodyne	CTSK	17	50
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)N(C)C	ZINC000795170920	CD	On-Demand	Anodyne	PAPA1_CARPA	35	40
CCCCCCCCNC(=O)CC(C)(C)C(F)(F)F	ZINC000795200658	CI	On-Demand	Mild	CES2	55	45
CCCCCCCCNC(=O)CC(C)(C)C(F)(F)F	ZINC000795200658	CI	On-Demand	Mild	CES1	58	39
CCCCCCCCNC(=O)CC(C)(C)C(F)(F)F	ZINC000795200658	CI	On-Demand	Mild	EST1_PIG	82	45
CCCCCCCCNC(=O)CC(C)(C)C(F)(F)F	ZINC000795200658	CI	On-Demand	Mild	CES2C	65	45
CCCCCCCCNC(=O)CC(C)(C)C(F)(F)F	ZINC000795200658	CI	On-Demand	Mild	ASAH1	90	37
CCCCCCCCNC(=O)[C@](C)(CC)OC	ZINC000795201623	BG	On-Demand	Mild	ASAH1	82	35
CCCCCCCCNC(=O)[C@@](C)(CC)OC	ZINC000795201624	BG	On-Demand	Mild	ASAH1	82	35
CCCN(C)S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795202461	DD	On-Demand	Anodyne	CTSK	17	45
CCCN(C)S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795202462	DD	On-Demand	Anodyne	CTSK	17	45
C[C@@H](CNS(=O)(=O)CCCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000795203211	FC	On-Demand	Anodyne	CTSK	15	40
C[C@H](CNS(=O)(=O)CCCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000795203214	FC	On-Demand	Anodyne	CTSK	15	40
C[C@H](CNS(=O)(=O)CCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000795203986	EB	On-Demand	Anodyne	CTSK	15	41
C[C@@H](CNS(=O)(=O)CCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000795203989	EB	On-Demand	Anodyne	CTSK	15	41
COCCCS(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795205618	DC	On-Demand	Anodyne	CTSK	15	45
COCCCS(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795205620	DC	On-Demand	Anodyne	CTSK	15	45
C[C@@H](CNS(=O)(=O)CCCC#N)NC(=O)OC(C)(C)C	ZINC000795205639	DD	On-Demand	Mild	PAPA1_CARPA	34	40
C[C@H](CNS(=O)(=O)CCCC#N)NC(=O)OC(C)(C)C	ZINC000795205642	DD	On-Demand	Mild	PAPA1_CARPA	34	40
CCN(CC)S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795205695	DD	On-Demand	Anodyne	CTSK	18	43
CCN(CC)S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795205696	DD	On-Demand	Anodyne	CTSK	18	43
COCC[C@@H](C)S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795205713	DD	On-Demand	Anodyne	CTSK	16	53
COCC[C@H](C)S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795205714	DD	On-Demand	Anodyne	CTSK	16	53
COCC[C@H](C)S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795205716	DD	On-Demand	Anodyne	CTSK	16	53
COCC[C@@H](C)S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795205718	DD	On-Demand	Anodyne	CTSK	16	53
COC[C@@H](C)S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795206253	DC	On-Demand	Anodyne	CTSK	15	43
COC[C@@H](C)S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795206257	DC	On-Demand	Anodyne	CTSK	15	43
CCCCN(C)S(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795206289	DD	On-Demand	Anodyne	CTSK	18	46
CCCCN(C)S(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795206290	DD	On-Demand	Anodyne	CTSK	18	46
CCNS(=O)(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795206315	CC	On-Demand	Anodyne	CTSK	18	44
CCNS(=O)(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795206316	CC	On-Demand	Anodyne	CTSK	18	44
C[C@H](CNS(=O)(=O)CCCCC#N)NC(=O)OC(C)(C)C	ZINC000795206317	DD	On-Demand	Mild	PAPA1_CARPA	33	40
C[C@@H](CNS(=O)(=O)CCCCC#N)NC(=O)OC(C)(C)C	ZINC000795206318	DD	On-Demand	Mild	PAPA1_CARPA	33	40
C[C@H](CNS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C	ZINC000795206459	CC	On-Demand	Anodyne	CTSK	15	47
C[C@@H](CNS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C	ZINC000795206461	CC	On-Demand	Anodyne	CTSK	15	47
C=C(C)CCONC(=N)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206521	DG	On-Demand	Mild	PAPA1_CARPA	28	44
C=C(C)CCONC(=N)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206521	DG	On-Demand	Mild	CTSK	19	47
C=C(C)CCONC(=N)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206521	DG	On-Demand	Mild	POLG_HCV1	23	41
C=C(C)CCONC(=N)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206521	DG	On-Demand	Mild	FPR1	50	39
C=C(C)CCONC(=N)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206527	DG	On-Demand	Mild	PAPA1_CARPA	28	44
C=C(C)CCONC(=N)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206527	DG	On-Demand	Mild	CTSK	19	47
C=C(C)CCONC(=N)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206527	DG	On-Demand	Mild	POLG_HCV1	23	41
C=C(C)CCONC(=N)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795206527	DG	On-Demand	Mild	FPR1	50	39
C[C@H](CNS(=O)(=O)CBr)NC(=O)OC(C)(C)C	ZINC000795210237	ED	On-Demand	Reactive	CTSK	15	43
C[C@@H](CNS(=O)(=O)CBr)NC(=O)OC(C)(C)C	ZINC000795210238	ED	On-Demand	Reactive	CTSK	15	43
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN(C)S(C)(=O)=O	ZINC000795210466	FB	On-Demand	Anodyne	PAPA1_CARPA	38	43
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN(C)S(C)(=O)=O	ZINC000795210469	FB	On-Demand	Anodyne	PAPA1_CARPA	38	43
CCC[C@](C)(CC)C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795219496	DG	On-Demand	Anodyne	CTSK	18	41
CCC[C@](C)(CC)C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795219793	DG	On-Demand	Anodyne	CTSK	18	41
CCCCCSCCS(=O)(=O)N(C)C	ZINC000795228689	BD	On-Demand	Anodyne	EST1_PIG	41	34
CCSCCSCC(=O)C(C)(C)C(=O)OC	ZINC000795231167	CE	On-Demand	Anodyne	EST1_PIG	44	38
COCCOC(=O)CSCCCCF	ZINC000795231691	BD	On-Demand	Anodyne	EST1_PIG	42	34
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCC(F)F	ZINC000795238410	DD	On-Demand	Reactive	CTSK	15	40
CC[C@H](C)[C@H](NC(C)=O)C(=O)NNC(=O)C(C)(C)C	ZINC000795258157	CC	On-Demand	Reactive	ENPEP	58	33
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(C)(=O)=O	ZINC000795302304	DB	On-Demand	Anodyne	PAPA1_CARPA	43	48
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(C)(=O)=O	ZINC000795302304	DB	On-Demand	Anodyne	CTSK	15	48
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(C)(=O)=O	ZINC000795302305	DB	On-Demand	Anodyne	PAPA1_CARPA	43	48
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(C)(=O)=O	ZINC000795302305	DB	On-Demand	Anodyne	CTSK	15	48
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCS(C)(=O)=O	ZINC000795303603	CB	On-Demand	Anodyne	ENPEP	74	37
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(F)(F)F	ZINC000795332708	FC	On-Demand	Anodyne	PAPA1_CARPA	40	45
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(F)(F)F	ZINC000795332711	FC	On-Demand	Anodyne	PAPA1_CARPA	40	45
CC(=O)N[C@@H](C(=O)OCCC[C@H](C)O)C(C)C	ZINC000795338640	BC	On-Demand	Anodyne	PAPA1_CARPA	21	44
CC(=O)N[C@@H](C(=O)OCCC[C@@H](C)O)C(C)C	ZINC000795338645	BC	On-Demand	Anodyne	PAPA1_CARPA	21	44
CC[C@@](C)(OC)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795341462	CD	On-Demand	Anodyne	CTSK	15	44
CCNC(=O)CN(C)C(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795360444	DC	On-Demand	Anodyne	PAPA1_CARPA	38	45
CCNC(=O)CN(C)C(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795360446	DC	On-Demand	Anodyne	PAPA1_CARPA	38	45
C=C(CBr)COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377038	FG	On-Demand	Reactive	PAPA1_CARPA	37	45
C=C(CBr)COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377038	FG	On-Demand	Reactive	CTSK	19	49
C=C(CBr)COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377038	FG	On-Demand	Reactive	POLG_HCV1	24	40
C=C(CBr)COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377038	FG	On-Demand	Reactive	FPR1	51	39
C=C(CBr)COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377039	FG	On-Demand	Reactive	PAPA1_CARPA	37	45
C=C(CBr)COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377039	FG	On-Demand	Reactive	CTSK	19	49
C=C(CBr)COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377039	FG	On-Demand	Reactive	POLG_HCV1	24	40
C=C(CBr)COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000795377039	FG	On-Demand	Reactive	FPR1	51	39
C[C@@H](O)CCCOC(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795378324	CD	On-Demand	Anodyne	CTSK	19	43
C[C@@H](O)CCCOC(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795378324	CD	On-Demand	Anodyne	PGA5	22	40
C=C(CBr)COC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000795378563	FG	On-Demand	Reactive	PGA5	22	40
C=C(CBr)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000795378564	FG	On-Demand	Reactive	PGA5	22	40
CC[C@@](C)(OC)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795384150	CD	On-Demand	Anodyne	PAPA1_CARPA	34	40
CC[C@@](C)(OC)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000795384150	CD	On-Demand	Anodyne	CTSK	17	44
CC[C@@](C)(OC)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795384152	CD	On-Demand	Anodyne	PAPA1_CARPA	34	40
CC[C@@](C)(OC)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000795384152	CD	On-Demand	Anodyne	CTSK	17	44
O=C(NCCCSCCCCF)C(F)(F)F	ZINC000795384272	CF	On-Demand	Anodyne	EST1_PIG	43	35
C[C@H](CNC(=O)CC(C)(C)C(F)(F)F)NC(=O)OC(C)(C)C	ZINC000795387585	EF	On-Demand	Anodyne	CTSK	15	41
COCCCCSCCCNC(=O)C(F)(F)F	ZINC000795389178	CE	On-Demand	Anodyne	EST1_PIG	42	35
C=C(C)CCSCC(=O)NCCCCCC	ZINC000795389854	BG	On-Demand	Mild	CES2	25	40
C=C(C)CCSCC(=O)NCCCCCC	ZINC000795389854	BG	On-Demand	Mild	CES1	26	40
C=C(C)CCSCC(=O)NCCCCCC	ZINC000795389854	BG	On-Demand	Mild	EST1_PIG	56	40
C=C(C)CCSCC(=O)NCCCCCC	ZINC000795389854	BG	On-Demand	Mild	CES2C	22	40
C=C(C)CCSCC(=O)NCCCCCC	ZINC000795389854	BG	On-Demand	Mild	ASAH1	88	37
C=C(C)CCSCC(=O)NCCCCCC	ZINC000795389854	BG	On-Demand	Mild	NOD1	41	40
C=C(C)CCSCCCNC(=O)C(F)(F)F	ZINC000795390163	CF	On-Demand	Mild	EST1_PIG	40	35
C=C(C)CCSCC(=O)N[C@H](C)CCCCC	ZINC000795390529	CH	On-Demand	Mild	EST1_PIG	43	36
C=C(C)CCSCC(=O)N[C@H](C)CCCCC	ZINC000795390529	CH	On-Demand	Mild	NOD1	88	38
C=C(C)CCSCC(=O)N[C@@H](C)CCCCC	ZINC000795390531	CH	On-Demand	Mild	EST1_PIG	43	36
C=C(C)CCSCC(=O)N[C@@H](C)CCCCC	ZINC000795390531	CH	On-Demand	Mild	NOD1	88	38
O=S(=O)(CCCCCO)CC(F)(F)C(F)F	ZINC000795397281	CD	On-Demand	Anodyne	CES1	34	46
O=S(=O)(CCCCCO)CC(F)(F)C(F)F	ZINC000795397281	CD	On-Demand	Anodyne	EST1_PIG	23	46
CCOC(=O)N[C@@H](C(=O)OCCC[C@@H](C)O)C(C)C	ZINC000795438622	CD	On-Demand	Anodyne	HLA-DRB1	44	33
CCOC(=O)N[C@H](C(=O)OCCC[C@@H](C)O)C(C)C	ZINC000795438624	CD	On-Demand	Anodyne	HLA-DRB1	44	33
CCOC(=O)N[C@H](C(=O)OCCC[C@H](C)O)C(C)C	ZINC000795438625	CD	On-Demand	Anodyne	HLA-DRB1	44	33
CCOC(=O)N[C@@H](C(=O)OCCC[C@H](C)O)C(C)C	ZINC000795438627	CD	On-Demand	Anodyne	HLA-DRB1	44	33
CCCC[C@H](CC)C(=O)OCCC[C@@H](C)O	ZINC000795445351	BF	On-Demand	Anodyne	CQSS	51	32
CCCC[C@@H](CC)C(=O)OCCC[C@H](C)O	ZINC000795445352	BF	On-Demand	Anodyne	CQSS	51	32
CCCC[C@H](CC)C(=O)OCCC[C@H](C)O	ZINC000795445353	BF	On-Demand	Anodyne	CQSS	51	32
CCCC[C@@H](CC)C(=O)OCCC[C@@H](C)O	ZINC000795445354	BF	On-Demand	Anodyne	CQSS	51	32
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	PLA2G4B	63	36
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	PRKCA	15	46
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	LPAR3	38	43
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	ENPP2	16	45
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	FBA1	23	40
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	NOD1	40	33
CCCCCCC(=O)OCC(=O)COC	ZINC000795445375	BD	On-Demand	Anodyne	CQSS	61	39
CCC(CC)C(=O)OCCC[C@@H](C)O	ZINC000795448128	BE	On-Demand	Anodyne	CHRNA4	18	41
CCC(CC)C(=O)OCCC[C@H](C)O	ZINC000795448129	BE	On-Demand	Anodyne	CHRNA4	18	41
C=C(CBr)COC(=O)CCCCCC	ZINC000795448710	CG	On-Demand	Reactive	PRKCA	22	44
C=C(CBr)COC(=O)CCCCCC	ZINC000795448710	CG	On-Demand	Reactive	LPAR3	34	41
C=C(CBr)COC(=O)CCCCCC	ZINC000795448710	CG	On-Demand	Reactive	ENPP2	15	41
C=C(CBr)COC(=O)CCCCCC	ZINC000795448710	CG	On-Demand	Reactive	CQSS	58	37
C=C(CBr)COC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000795453581	EF	On-Demand	Reactive	PGA	78	40
C=C(CBr)COC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000795453585	EF	On-Demand	Reactive	PGA	78	40
C=C(CBr)COC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000795464163	DE	On-Demand	Reactive	CAPN1	20	44
COC(=O)N[C@H](CC(C)C)C(=O)OCCC[C@@H](C)O	ZINC000795467236	CD	On-Demand	Anodyne	CAPNS1	42	31
COC(=O)N[C@H](CC(C)C)C(=O)OCCC[C@@H](C)O	ZINC000795467236	CD	On-Demand	Anodyne	CAPN1	37	45
COC(=O)N[C@H](CC(C)C)C(=O)OCCC[C@@H](C)O	ZINC000795467236	CD	On-Demand	Anodyne	CAPN2	51	33
COC(=O)N[C@@H](CC(C)C)C(=O)OCCC[C@@H](C)O	ZINC000795467238	CD	On-Demand	Anodyne	CAPNS1	42	31
COC(=O)N[C@@H](CC(C)C)C(=O)OCCC[C@@H](C)O	ZINC000795467238	CD	On-Demand	Anodyne	CAPN1	37	45
COC(=O)N[C@@H](CC(C)C)C(=O)OCCC[C@@H](C)O	ZINC000795467238	CD	On-Demand	Anodyne	CAPN2	51	33
COC(=O)N[C@@H](CC(C)C)C(=O)OCCC[C@H](C)O	ZINC000795467240	CD	On-Demand	Anodyne	CAPNS1	42	31
COC(=O)N[C@@H](CC(C)C)C(=O)OCCC[C@H](C)O	ZINC000795467240	CD	On-Demand	Anodyne	CAPN1	37	45
COC(=O)N[C@@H](CC(C)C)C(=O)OCCC[C@H](C)O	ZINC000795467240	CD	On-Demand	Anodyne	CAPN2	51	33
COC(=O)N[C@H](CC(C)C)C(=O)OCCC[C@H](C)O	ZINC000795467242	CD	On-Demand	Anodyne	CAPNS1	42	31
COC(=O)N[C@H](CC(C)C)C(=O)OCCC[C@H](C)O	ZINC000795467242	CD	On-Demand	Anodyne	CAPN1	37	45
COC(=O)N[C@H](CC(C)C)C(=O)OCCC[C@H](C)O	ZINC000795467242	CD	On-Demand	Anodyne	CAPN2	51	33
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	CTSD	22	43
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	PAPA1_CARPA	39	50
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	CTSK	22	50
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	ECE1	31	43
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	HLA-DRB1	62	41
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	REN	26	41
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	CAPN1	19	43
CCOC(=O)[C@H](C)NC(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000795480193	DC	On-Demand	Anodyne	FPR1	50	42
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	CTSD	22	43
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	PAPA1_CARPA	39	50
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	CTSK	22	50
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	ECE1	31	43
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	HLA-DRB1	62	41
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	REN	26	41
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	CAPN1	19	43
CCOC(=O)[C@H](C)NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C	ZINC000795480194	DC	On-Demand	Anodyne	FPR1	50	42
CCOC(=O)[C@H](C)NC(=O)CC[C@@H](C)CC	ZINC000795483481	BD	On-Demand	Anodyne	NOD1	86	38
CCOC(=O)[C@H](C)NC(=O)CC[C@H](C)CC	ZINC000795483487	BD	On-Demand	Anodyne	NOD1	86	38
CCOC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000795485474	CC	On-Demand	Anodyne	HLA-A	29	41
CCOC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000795485474	CC	On-Demand	Anodyne	ENPEP	72	38
CCOC(=O)[C@H](C)NC(=O)[C@H](O)C(C)C	ZINC000795488138	BC	On-Demand	Anodyne	HLA-DRB1	40	35
CCOC(=O)[C@H](C)NC(=O)CCCOC(C)(C)C	ZINC000795488792	CD	On-Demand	Anodyne	NOD1	71	37
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795489096	DD	On-Demand	Anodyne	PAPA1_CARPA	40	47
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795489096	DD	On-Demand	Anodyne	CTSK	24	47
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795489096	DD	On-Demand	Anodyne	HLA-DRB1	60	38
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795489096	DD	On-Demand	Anodyne	CAPN1	21	46
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795489096	DD	On-Demand	Anodyne	CAPN2	48	32
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000795489096	DD	On-Demand	Anodyne	FPR1	46	42
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795489100	DD	On-Demand	Anodyne	PAPA1_CARPA	40	47
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795489100	DD	On-Demand	Anodyne	CTSK	24	47
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795489100	DD	On-Demand	Anodyne	HLA-DRB1	60	38
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795489100	DD	On-Demand	Anodyne	CAPN1	21	46
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795489100	DD	On-Demand	Anodyne	CAPN2	48	32
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CNC(=O)OC(C)(C)C	ZINC000795489100	DD	On-Demand	Anodyne	FPR1	46	42
C=C(CBr)COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC	ZINC000795491606	FG	On-Demand	Reactive	CTSD	15	44
C=C(CBr)COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC	ZINC000795491606	FG	On-Demand	Reactive	ECE1	32	44
C=C(CBr)COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	ZINC000795491607	FG	On-Demand	Reactive	CTSD	15	44
C=C(CBr)COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	ZINC000795491607	FG	On-Demand	Reactive	ECE1	32	44
C=C(CBr)COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	ZINC000795491608	FG	On-Demand	Reactive	CTSD	15	44
C=C(CBr)COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC	ZINC000795491608	FG	On-Demand	Reactive	ECE1	32	44
C=C(CBr)COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC	ZINC000795491609	FG	On-Demand	Reactive	CTSD	15	44
C=C(CBr)COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC	ZINC000795491609	FG	On-Demand	Reactive	ECE1	32	44
C=C(CBr)COC(=O)CS(=O)(=O)CCCCC	ZINC000795493580	EE	On-Demand	Reactive	CES2	19	42
C=C(CBr)COC(=O)CS(=O)(=O)CCCCC	ZINC000795493580	EE	On-Demand	Reactive	EST1_PIG	28	42
C=C(CBr)COC(=O)CS(=O)(=O)CCCCC	ZINC000795493580	EE	On-Demand	Reactive	CES2C	21	42