C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000779016018	FE	On-Demand	Anodyne	CTSD	17	42
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000779016018	FE	On-Demand	Anodyne	PGA	36	42
COC[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C(N)=O	ZINC000779036674	CB	On-Demand	Anodyne	HLA-DRB1	60	33
COC[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C(N)=O	ZINC000779036675	CB	On-Demand	Anodyne	HLA-DRB1	60	33
COC[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C(N)=O	ZINC000779036676	CB	On-Demand	Anodyne	HLA-DRB1	60	33
COC[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C(N)=O	ZINC000779036677	CB	On-Demand	Anodyne	HLA-DRB1	60	33
C#CC(=O)NC(CCCCC)CCCCC	ZINC000779057073	BG	On-Demand	Mild	DPP7	15	41
C#CC(=O)NC(CCCCC)CCCCC	ZINC000779057073	BG	On-Demand	Mild	CQSS	51	32
CCCCCC(CCCCC)NC(=O)[C@H](C)C#N	ZINC000779057202	CH	On-Demand	Mild	NOD1	66	37
CCCCCC(CCCCC)NC(=O)[C@@H](C)C#N	ZINC000779057203	CH	On-Demand	Mild	NOD1	66	37
CCCCCC(CCCCC)NC(=O)[C@@H](C)O	ZINC000779057448	BG	On-Demand	Anodyne	NOD1	84	41
CCCCCC(CCCCC)NC(=O)[C@@H](C)O	ZINC000779057448	BG	On-Demand	Anodyne	CQSS	61	44
CCCCCC(CCCCC)NC(=O)[C@H](C)O	ZINC000779057449	BG	On-Demand	Anodyne	NOD1	84	41
CCCCCC(CCCCC)NC(=O)[C@H](C)O	ZINC000779057449	BG	On-Demand	Anodyne	CQSS	61	44
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000779057909	FE	On-Demand	Anodyne	CTSD	18	44
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000779057909	FE	On-Demand	Anodyne	PGA	41	44
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000779057911	FE	On-Demand	Anodyne	CTSD	18	44
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000779057911	FE	On-Demand	Anodyne	PGA	41	44
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)CC(C)(C)C	ZINC000779057912	FE	On-Demand	Anodyne	CTSD	18	44
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)CC(C)(C)C	ZINC000779057912	FE	On-Demand	Anodyne	PGA	41	44
CCCCCC(CCCCC)NC(=O)CO	ZINC000779058914	BF	On-Demand	Anodyne	NOD1	80	38
CCCCCC(CCCCC)NC(=O)CO	ZINC000779058914	BF	On-Demand	Anodyne	CQSS	54	34
C=CCN(C)C(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000779064184	CD	On-Demand	Mild	CTSK	17	43
C=CCN(C)C(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000779064187	CD	On-Demand	Mild	CTSK	17	43
C=C(C)CNC(=O)C[C@H](C)CCCCCC	ZINC000779068683	BH	On-Demand	Mild	NOD1	55	35
C=C(C)CNC(=O)C[C@H](C)CCCCCC	ZINC000779068683	BH	On-Demand	Mild	CQSS	40	33
C=C(C)CNC(=O)C[C@@H](C)CCCCCC	ZINC000779068684	BH	On-Demand	Mild	NOD1	55	35
C=C(C)CNC(=O)C[C@@H](C)CCCCCC	ZINC000779068684	BH	On-Demand	Mild	CQSS	40	33
C=C(C)CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000779069095	CD	On-Demand	Mild	CTSK	18	52
C=C(C)CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000779069096	CD	On-Demand	Mild	CTSK	18	52
CCCCNC(=O)COC(=O)CC[C@H](C)SC	ZINC000779106305	CD	On-Demand	Anodyne	NOD1	77	38
CCCCNC(=O)COC(=O)CC[C@@H](C)SC	ZINC000779106307	CD	On-Demand	Anodyne	NOD1	77	38
C=CCN(C)C(=O)CN(C)CCCCCC	ZINC000779124697	BE	On-Demand	Mild	LSS	40	35
C=C(C)CNC(=O)C[C@H](O)CCCCC	ZINC000779125868	BE	On-Demand	Mild	CQSS	40	32
C=C(C)CNC(=O)C[C@@H](O)CCCCC	ZINC000779125870	BE	On-Demand	Mild	CQSS	40	32
C=C(C)CNC(=O)[C@H](CC)CCCCCC	ZINC000779126191	BH	On-Demand	Mild	CQSS	54	35
C=C(C)CNC(=O)[C@@H](CC)CCCCCC	ZINC000779126192	BH	On-Demand	Mild	CQSS	54	35
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193103	FE	On-Demand	Anodyne	PAPA1_CARPA	28	46
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193103	FE	On-Demand	Anodyne	CTSK	18	46
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193105	FE	On-Demand	Anodyne	PAPA1_CARPA	28	46
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193105	FE	On-Demand	Anodyne	CTSK	18	46
CCCCCCCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193727	CG	On-Demand	Mild	CES2	51	43
CCCCCCCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193727	CG	On-Demand	Mild	CES1	50	43
CCCCCCCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193727	CG	On-Demand	Mild	EST1_PIG	74	43
CCCCCCCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193727	CG	On-Demand	Mild	CES2C	58	35
CCCCCCCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193727	CG	On-Demand	Mild	LPAR3	40	35
CCCCCCCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779193727	CG	On-Demand	Mild	CQSS	63	39
CCCCCCCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193730	CG	On-Demand	Mild	CES2	51	43
CCCCCCCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193730	CG	On-Demand	Mild	CES1	50	43
CCCCCCCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193730	CG	On-Demand	Mild	EST1_PIG	74	43
CCCCCCCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193730	CG	On-Demand	Mild	CES2C	58	35
CCCCCCCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193730	CG	On-Demand	Mild	LPAR3	40	35
CCCCCCCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779193730	CG	On-Demand	Mild	CQSS	63	39
CCCCSCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779194533	CE	On-Demand	Anodyne	CES2	15	45
CCCCSCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779194533	CE	On-Demand	Anodyne	CES1	20	49
CCCCSCC(=O)N(CC)C[C@@H](O)C(F)(F)F	ZINC000779194533	CE	On-Demand	Anodyne	EST1_PIG	56	49
CCCCSCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779194540	CE	On-Demand	Anodyne	CES2	15	45
CCCCSCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779194540	CE	On-Demand	Anodyne	CES1	20	49
CCCCSCC(=O)N(CC)C[C@H](O)C(F)(F)F	ZINC000779194540	CE	On-Demand	Anodyne	EST1_PIG	56	49
CC(C)[C@H](O)CC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779214677	DD	On-Demand	Anodyne	CTSD	16	40
CC(C)[C@H](O)CC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779214677	DD	On-Demand	Anodyne	PGA	19	40
CC(C)[C@H](O)CC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779214677	DD	On-Demand	Anodyne	ECE1	25	40
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216007	FD	On-Demand	Anodyne	PAPA1_CARPA	41	42
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216007	FD	On-Demand	Anodyne	CTSK	33	54
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216007	FD	On-Demand	Anodyne	CTSS	18	54
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216007	FD	On-Demand	Anodyne	CAPN1	33	55
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216007	FD	On-Demand	Anodyne	POLG_HCV1	26	43
CC(=O)N[C@@H](CC(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216007	FD	On-Demand	Anodyne	FPR1	50	40
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216308	GE	On-Demand	Anodyne	CTSD	18	41
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216308	GE	On-Demand	Anodyne	CTSK	16	43
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000779216308	GE	On-Demand	Anodyne	PGA	18	41
CCCCCCCCCC(=O)OC(C)(C)C#N	ZINC000779223447	BH	On-Demand	Mild	CES2	47	41
CCCCCCCCCC(=O)OC(C)(C)C#N	ZINC000779223447	BH	On-Demand	Mild	CES1	26	41
CCCCCCCCCC(=O)OC(C)(C)C#N	ZINC000779223447	BH	On-Demand	Mild	EST1_PIG	63	41
CCCCCCCCCC(=O)OC(C)(C)C#N	ZINC000779223447	BH	On-Demand	Mild	CES2C	54	33
CCCCCCCCCC(=O)OC(C)(C)C#N	ZINC000779223447	BH	On-Demand	Mild	CQSS	60	37
CCCCSCC(=O)OC(C)(C)C#N	ZINC000779225405	BE	On-Demand	Mild	CES1	19	47
CCCCSCC(=O)OC(C)(C)C#N	ZINC000779225405	BE	On-Demand	Mild	EST1_PIG	54	47
CCCCCCC(=O)OC(C)(C)C#N	ZINC000779226416	AF	On-Demand	Mild	CES2	47	41
CCCCCCC(=O)OC(C)(C)C#N	ZINC000779226416	AF	On-Demand	Mild	CES1	26	41
CCCCCCC(=O)OC(C)(C)C#N	ZINC000779226416	AF	On-Demand	Mild	EST1_PIG	63	41
CCCCCCC(=O)OC(C)(C)C#N	ZINC000779226416	AF	On-Demand	Mild	CES2C	54	33
CCCCCCC(=O)OC(C)(C)C#N	ZINC000779226416	AF	On-Demand	Mild	CQSS	60	37
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCC(F)(F)F	ZINC000779324542	CD	On-Demand	Anodyne	CTSB	16	42
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCC(F)(F)F	ZINC000779324542	CD	On-Demand	Anodyne	CTSL	15	40
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCC(F)(F)F	ZINC000779324542	CD	On-Demand	Anodyne	CAPNS1	53	33
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCC(F)(F)F	ZINC000779324542	CD	On-Demand	Anodyne	HLA-DRB1	40	33
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCC(F)(F)F	ZINC000779324542	CD	On-Demand	Anodyne	CAPN1	46	45
CC(=O)N[C@@H](CC(C)C)C(=O)NOCCC(F)(F)F	ZINC000779324542	CD	On-Demand	Anodyne	Q9NAW4_PLAFA	23	40
CCCC[C@@H](CC)C(=O)NOCCC(F)(F)F	ZINC000779325170	CG	On-Demand	Anodyne	PDF	43	35
CCCC[C@H](CC)C(=O)NOCCC(F)(F)F	ZINC000779325172	CG	On-Demand	Anodyne	PDF	43	35
CCNC(=O)CNC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779331184	DC	On-Demand	Anodyne	CTSK	15	40
CCNC(=O)CNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779331185	DC	On-Demand	Anodyne	CTSK	15	40
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NCCC(C)(C)C	ZINC000779333269	DG	On-Demand	Anodyne	CTSK	15	42
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCCC(C)(C)C	ZINC000779333271	DG	On-Demand	Anodyne	CTSK	15	42
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NOCCC(F)(F)F	ZINC000779333370	FF	On-Demand	Anodyne	PAPA1_CARPA	38	40
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NOCCC(F)(F)F	ZINC000779333370	FF	On-Demand	Anodyne	POLG_HCV1	33	50
CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NOCCC(F)(F)F	ZINC000779333370	FF	On-Demand	Anodyne	FPR1	47	38
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NOCCC(F)(F)F	ZINC000779333372	FF	On-Demand	Anodyne	PAPA1_CARPA	38	40
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NOCCC(F)(F)F	ZINC000779333372	FF	On-Demand	Anodyne	POLG_HCV1	33	50
CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NOCCC(F)(F)F	ZINC000779333372	FF	On-Demand	Anodyne	FPR1	47	38
C=C(C)CN(C)C(=O)NCCCCCCCN(C)C	ZINC000779333734	CF	On-Demand	Mild	PAOX	19	46
CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779334903	DG	On-Demand	Anodyne	CTSK	17	47
CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779334903	DG	On-Demand	Anodyne	ECE1	27	41
CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779334906	DG	On-Demand	Anodyne	CTSK	17	47
CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779334906	DG	On-Demand	Anodyne	ECE1	27	41
CC[C@@H](NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)C(C)C	ZINC000779335876	DG	On-Demand	Anodyne	CTSK	16	42
CC[C@@H](NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)C(C)C	ZINC000779335876	DG	On-Demand	Anodyne	ECE1	24	40
CC[C@@H](NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)C(C)C	ZINC000779335878	DG	On-Demand	Anodyne	CTSK	16	42
CC[C@@H](NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)C(C)C	ZINC000779335878	DG	On-Demand	Anodyne	ECE1	24	40
CCC[C@@H](CC)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779337583	DG	On-Demand	Anodyne	CTSK	17	44
CCC[C@H](CC)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779337585	DG	On-Demand	Anodyne	CTSK	17	44
CCC[C@@H](CC)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779337586	DG	On-Demand	Anodyne	CTSK	17	44
CCC[C@H](CC)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779337588	DG	On-Demand	Anodyne	CTSK	17	44
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NCCNC(=O)C(C)(C)C	ZINC000779341488	FD	On-Demand	Anodyne	CTSK	15	41
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCCNC(=O)C(C)(C)C	ZINC000779341490	FD	On-Demand	Anodyne	CTSK	15	41
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779351361	FD	On-Demand	Anodyne	CTSK	17	41
CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779351362	FD	On-Demand	Anodyne	CTSK	17	41
CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779351363	FD	On-Demand	Anodyne	CTSK	17	41
CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779351365	FD	On-Demand	Anodyne	CTSK	17	41
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)CS(C)(=O)=O	ZINC000779351752	FD	On-Demand	Anodyne	CTSK	15	40
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)CS(C)(=O)=O	ZINC000779351754	FD	On-Demand	Anodyne	CTSK	15	40
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)CS(C)(=O)=O	ZINC000779351755	FD	On-Demand	Anodyne	CTSK	15	40
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](C)C(C)(C)C	ZINC000779352155	EG	On-Demand	Anodyne	CTSK	15	41
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NC[C@H](C)C(C)(C)C	ZINC000779352156	EG	On-Demand	Anodyne	CTSK	15	41
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NC[C@H](C)C(C)(C)C	ZINC000779352157	EG	On-Demand	Anodyne	CTSK	15	41
C=C(C)CN(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000779352436	DF	On-Demand	Mild	CTSK	16	43
C=C(C)CN(C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000779352438	DF	On-Demand	Mild	CTSK	16	43
CSCC[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354897	EF	On-Demand	Anodyne	PAPA1_CARPA	18	50
CSCC[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354897	EF	On-Demand	Anodyne	CTSK	15	53
CSCC[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354902	EF	On-Demand	Anodyne	PAPA1_CARPA	18	50
CSCC[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354902	EF	On-Demand	Anodyne	CTSK	15	53
CSCC[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354905	EF	On-Demand	Anodyne	PAPA1_CARPA	18	50
CSCC[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354905	EF	On-Demand	Anodyne	CTSK	15	53
CSCC[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354908	EF	On-Demand	Anodyne	PAPA1_CARPA	18	50
CSCC[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779354908	EF	On-Demand	Anodyne	CTSK	15	53
CCC(CC)CNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779356836	DG	On-Demand	Anodyne	CTSK	16	42
CCC(CC)CNC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779356837	DG	On-Demand	Anodyne	CTSK	16	42
C[C@H](CCO)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779357562	DD	On-Demand	Anodyne	CTSK	17	43
C[C@@H](CCO)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779357624	DD	On-Demand	Anodyne	CTSK	17	43
C[C@@H](CCO)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779357625	DD	On-Demand	Anodyne	CTSK	17	43
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)CCO	ZINC000779357626	DD	On-Demand	Anodyne	CTSK	17	43
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NCCCC(C)(C)C	ZINC000779359269	EG	On-Demand	Anodyne	CTSK	17	46
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)NCCCC(C)(C)C	ZINC000779359270	EG	On-Demand	Anodyne	CTSK	17	46
CC[C@H](C)C[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779362895	EG	On-Demand	Anodyne	CTSK	19	44
CC[C@H](C)C[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779362895	EG	On-Demand	Anodyne	ECE1	22	40
CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779362900	EG	On-Demand	Anodyne	CTSK	19	44
CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779362900	EG	On-Demand	Anodyne	ECE1	22	40
C=CCS(=O)(=O)CC(=O)N[C@H](C)CCCCC	ZINC000779366133	CD	On-Demand	Mild	NOD1	53	36
C=CCS(=O)(=O)CC(=O)N[C@@H](C)CCCCC	ZINC000779366134	CD	On-Demand	Mild	NOD1	53	36
CCCCNC(=O)COC(=O)[C@H](NC(C)=O)C(C)C	ZINC000779374504	CC	On-Demand	Anodyne	PAPA1_CARPA	15	40
CCCCNC(=O)COC(=O)[C@H](NC(C)=O)C(C)C	ZINC000779374504	CC	On-Demand	Anodyne	NOD1	61	37
CCCCNC(=O)COC(=O)[C@@H](NC(C)=O)C(C)C	ZINC000779374505	CC	On-Demand	Anodyne	PAPA1_CARPA	15	40
CCCCNC(=O)COC(=O)[C@@H](NC(C)=O)C(C)C	ZINC000779374505	CC	On-Demand	Anodyne	NOD1	61	37
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	PAPA1_CARPA	44	36
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	CTSK	35	53
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	CTSL	29	45
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	CAPNS1	54	34
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	HLA-DRB1	46	33
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	CTSS	23	53
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	CAPN1	68	51
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	CAPN2	86	38
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	FPR1	41	33
CC#CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000779376336	CD	On-Demand	Mild	NPR	60	34
CC#CCCNC(=O)[C@H](NC(=O)OC)C(C)C	ZINC000779376494	BC	On-Demand	Mild	PGA	49	35
CC#CCCNC(=O)[C@@H](CC)CCCCCC	ZINC000779376502	BH	On-Demand	Mild	CQSS	52	33
CC#CCCNC(=O)[C@H](CC)CCCCCC	ZINC000779376503	BH	On-Demand	Mild	CQSS	52	33
C=C[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779383388	CE	On-Demand	Mild	CTSK	17	44
C=C[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779383389	CE	On-Demand	Mild	CTSK	17	44
C=C[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779383390	CE	On-Demand	Mild	CTSK	17	44
C=C[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779383391	CE	On-Demand	Mild	CTSK	17	44
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)CO	ZINC000779383954	CC	On-Demand	Anodyne	CTSK	17	43
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385465	FD	On-Demand	Anodyne	CTSD	17	41
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385465	FD	On-Demand	Anodyne	CTSK	15	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385465	FD	On-Demand	Anodyne	ECE1	29	41
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385467	FD	On-Demand	Anodyne	CTSD	17	41
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385467	FD	On-Demand	Anodyne	CTSK	15	40
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385467	FD	On-Demand	Anodyne	ECE1	29	41
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385468	FD	On-Demand	Anodyne	CTSD	17	41
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385468	FD	On-Demand	Anodyne	CTSK	15	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385468	FD	On-Demand	Anodyne	ECE1	29	41
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385469	FD	On-Demand	Anodyne	CTSD	17	41
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385469	FD	On-Demand	Anodyne	CTSK	15	40
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779385469	FD	On-Demand	Anodyne	ECE1	29	41
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)C(=O)NC(C)(C)C	ZINC000779385679	FD	On-Demand	Anodyne	PGA	26	42
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)C(=O)NC(C)(C)C	ZINC000779385681	FD	On-Demand	Anodyne	PGA	26	42
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)C(=O)NC(C)(C)C	ZINC000779385685	FD	On-Demand	Anodyne	PGA	26	42
CCC(C)(CC)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779387799	DG	On-Demand	Anodyne	CTSK	18	42
CCC(C)(CC)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779387800	DG	On-Demand	Anodyne	CTSK	18	42
CCC(CC)(CC)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779389035	EH	On-Demand	Anodyne	CTSK	18	44
CCC(CC)(CC)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779389037	EH	On-Demand	Anodyne	CTSK	18	44
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)C(C)(C)O	ZINC000779389216	DD	On-Demand	Anodyne	CTSK	17	42
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)C(C)(C)O	ZINC000779389229	DD	On-Demand	Anodyne	CTSK	17	42
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)C(C)(C)O	ZINC000779389231	DD	On-Demand	Anodyne	CTSK	17	42
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779391575	FF	On-Demand	Anodyne	CTSK	15	41
CC(C)[C@H](O)C(C)(C)CNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779391576	FF	On-Demand	Anodyne	CTSK	15	41
CCCN(CC(C)C)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392302	EG	On-Demand	Anodyne	CTSK	17	42
CCCN(CC(C)C)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392311	EG	On-Demand	Anodyne	CTSK	17	42
CC[C@H](C)CN(CC)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392386	EG	On-Demand	Anodyne	CTSK	17	41
CC[C@@H](C)CN(CC)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392388	EG	On-Demand	Anodyne	CTSK	17	41
CC[C@H](C)CN(CC)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392390	EG	On-Demand	Anodyne	CTSK	17	41
CC[C@@H](C)CN(CC)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392392	EG	On-Demand	Anodyne	CTSK	17	41
C[C@H](O)CN(C)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392574	DD	On-Demand	Anodyne	CTSK	15	41
C[C@H](O)CN(C)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000779392575	DD	On-Demand	Anodyne	CTSK	15	41
C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000779394031	FD	On-Demand	Anodyne	CTSK	15	40
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)CCS(C)(=O)=O	ZINC000779394032	FD	On-Demand	Anodyne	CTSK	15	40
C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)CCS(C)(=O)=O	ZINC000779394033	FD	On-Demand	Anodyne	CTSK	15	40
C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)CCS(C)(=O)=O	ZINC000779394034	FD	On-Demand	Anodyne	CTSK	15	40
C[C@H](CCO)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000779409147	CD	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CCN[C@H](C)CCO)NC(=O)OC(C)(C)C	ZINC000779409148	CD	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CCO)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000779409149	CD	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CCO)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000779409150	CD	On-Demand	Anodyne	CTSK	20	46
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000779410689	DC	On-Demand	Anodyne	KLK3	51	36
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000779410689	DC	On-Demand	Anodyne	PAPA1_CARPA	40	61
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000779410689	DC	On-Demand	Anodyne	CTSK	23	48
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000779410689	DC	On-Demand	Anodyne	PGA5	22	40
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000779410689	DC	On-Demand	Anodyne	POLG_HCV1	24	44
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000779410689	DC	On-Demand	Anodyne	FPR1	46	40
COC(=O)[C@@H](CO)NC(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000779410736	DB	On-Demand	Anodyne	CTSK	15	40
COC(=O)[C@@H](CO)NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000779410737	DB	On-Demand	Anodyne	CTSK	15	40
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	CASP3	18	46
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	PAPA1_CARPA	48	36
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	PGA	55	41
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	HLA-DRB1	81	45
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	CASP1	17	40
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	CASP6	19	40
CCOC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411204	CB	On-Demand	Anodyne	CASP9	35	40
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	CASP3	18	46
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	PAPA1_CARPA	48	36
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	PGA	55	41
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	HLA-DRB1	81	45
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	CASP1	17	40
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	CASP6	19	40
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)OC)C(C)C	ZINC000779411207	CB	On-Demand	Anodyne	CASP9	35	40
CCCCCCCC(=O)N[C@](C)(CO)CCC	ZINC000779446147	BG	On-Demand	Mild	NOD1	48	37
CCCCCCCC(=O)N[C@](C)(CO)CCC	ZINC000779446147	BG	On-Demand	Mild	CQSS	57	35
CCCCCCCC(=O)N[C@@](C)(CO)CCC	ZINC000779446148	BG	On-Demand	Mild	NOD1	48	37
CCCCCCCC(=O)N[C@@](C)(CO)CCC	ZINC000779446148	BG	On-Demand	Mild	CQSS	57	35
C#CCC(C)(C)COC(=O)CCCCC	ZINC000779454099	BG	On-Demand	Mild	CQSS	51	33
C#CCCCCCOC(=O)CCCCC	ZINC000779454211	BG	On-Demand	Mild	PLA2G4B	55	34
C#CCCCCCOC(=O)CCCCC	ZINC000779454211	BG	On-Demand	Mild	PRKCA	16	43
C#CCCCCCOC(=O)CCCCC	ZINC000779454211	BG	On-Demand	Mild	LPAR3	33	40
C#CCCCCCOC(=O)CCCCC	ZINC000779454211	BG	On-Demand	Mild	FBA1	26	46
C#CCCCCCOC(=O)CCCCC	ZINC000779454211	BG	On-Demand	Mild	NOD1	18	41
C#CCCCCCOC(=O)CCCCC	ZINC000779454211	BG	On-Demand	Mild	CQSS	57	36
C#CCCCCCOC(=O)CCCC	ZINC000779454562	AF	On-Demand	Mild	FBA1	23	41
C#CCCCCCOC(=O)CCCC	ZINC000779454562	AF	On-Demand	Mild	NOD1	18	42
CCCCCCCC(=O)N[C@@](C)(C#N)C(C)(C)C	ZINC000779464311	CH	On-Demand	Mild	NOD1	48	37
CCCCCCCC(=O)N[C@@](C)(C#N)C(C)(C)C	ZINC000779464311	CH	On-Demand	Mild	CQSS	57	35
CCCCCCCC(=O)N[C@](C)(C#N)C(C)(C)C	ZINC000779464314	CH	On-Demand	Mild	NOD1	48	37
CCCCCCCC(=O)N[C@](C)(C#N)C(C)(C)C	ZINC000779464314	CH	On-Demand	Mild	CQSS	57	35