CCCC[C@@H](CC)C(=O)O[C@H](C)C(=O)NNC(=O)CC	ZINC000772017048	CD	On-Demand	Reactive	ENPEP	55	32
CCCC[C@H](CC)C(=O)O[C@H](C)C(=O)NNC(=O)CC	ZINC000772017051	CD	On-Demand	Reactive	ENPEP	55	32
CCCC[C@H](CC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	ZINC000772017053	CD	On-Demand	Reactive	ENPEP	55	32
CCCC[C@@H](CC)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	ZINC000772017055	CD	On-Demand	Reactive	ENPEP	55	32
CCCCCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC	ZINC000772017777	CD	On-Demand	Reactive	NOD1	87	40
CCCCCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC	ZINC000772017777	CD	On-Demand	Reactive	CQSS	59	38
CCCCCCC(=O)O[C@H](C)C(=O)NNC(=O)CC	ZINC000772017780	CD	On-Demand	Reactive	NOD1	87	40
CCCCCCC(=O)O[C@H](C)C(=O)NNC(=O)CC	ZINC000772017780	CD	On-Demand	Reactive	CQSS	59	38
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	CTSD	27	44
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	PAPA1_CARPA	46	46
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	PGA	68	44
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	HLA-DRB1	24	40
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	PGA5	37	42
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	POLG_HCV1	23	45
CNC(=O)[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022579	FD	On-Demand	Anodyne	FPR1	43	37
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	CTSD	27	44
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	PAPA1_CARPA	46	46
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	PGA	68	44
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	HLA-DRB1	24	40
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	PGA5	37	42
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	POLG_HCV1	23	45
CNC(=O)[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C(C)C	ZINC000772022580	FD	On-Demand	Anodyne	FPR1	43	37
CNC(=O)[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025212	FD	On-Demand	Anodyne	CTSD	21	40
CNC(=O)[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025212	FD	On-Demand	Anodyne	PAPA1_CARPA	35	40
CNC(=O)[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025212	FD	On-Demand	Anodyne	CTSK	15	40
CNC(=O)[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025212	FD	On-Demand	Anodyne	PGA	15	41
CNC(=O)[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025212	FD	On-Demand	Anodyne	PGA5	33	44
CNC(=O)[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025214	FD	On-Demand	Anodyne	CTSD	21	40
CNC(=O)[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025214	FD	On-Demand	Anodyne	PAPA1_CARPA	35	40
CNC(=O)[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025214	FD	On-Demand	Anodyne	CTSK	15	40
CNC(=O)[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025214	FD	On-Demand	Anodyne	PGA	15	41
CNC(=O)[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772025214	FD	On-Demand	Anodyne	PGA5	33	44
CNC(=O)[C@@H](NC(=O)NCCCCCCC(C)C)C(C)C	ZINC000772026103	CF	On-Demand	Anodyne	PGA	61	36
CNC(=O)[C@@H](NC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772029001	GE	On-Demand	Anodyne	PGA5	24	43
CNC(=O)[C@@H](NC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000772029002	GE	On-Demand	Anodyne	PGA5	24	43
CCCCN(CC(F)(F)F)C(=O)/C(C)=C\C(C)(C)C	ZINC000772033223	CI	On-Demand	Anodyne	EST1_PIG	42	30
CCCCN(CC(F)(F)F)C(=O)/C(C)=C/C(C)(C)C	ZINC000772033226	CI	On-Demand	Anodyne	EST1_PIG	42	30
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000772035232	EC	On-Demand	Reactive	PGA	101	47
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000772035235	EC	On-Demand	Reactive	PGA	101	47
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000772035236	EC	On-Demand	Reactive	PGA	101	47
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000772035238	EC	On-Demand	Reactive	PGA	101	47
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053528	EC	On-Demand	Reactive	PAPA1_CARPA	45	36
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053528	EC	On-Demand	Reactive	CTSK	17	44
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053528	EC	On-Demand	Reactive	CAPNS1	56	34
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053528	EC	On-Demand	Reactive	CAPN1	63	46
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053528	EC	On-Demand	Reactive	CAPN2	88	38
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053528	EC	On-Demand	Reactive	NPR	47	38
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053530	EC	On-Demand	Reactive	PAPA1_CARPA	45	36
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053530	EC	On-Demand	Reactive	CTSK	17	44
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053530	EC	On-Demand	Reactive	CAPNS1	56	34
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053530	EC	On-Demand	Reactive	CAPN1	63	46
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053530	EC	On-Demand	Reactive	CAPN2	88	38
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053530	EC	On-Demand	Reactive	NPR	47	38
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053532	EC	On-Demand	Reactive	PAPA1_CARPA	45	36
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053532	EC	On-Demand	Reactive	CTSK	17	44
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053532	EC	On-Demand	Reactive	CAPNS1	56	34
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053532	EC	On-Demand	Reactive	CAPN1	63	46
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053532	EC	On-Demand	Reactive	CAPN2	88	38
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000772053532	EC	On-Demand	Reactive	NPR	47	38
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053534	EC	On-Demand	Reactive	PAPA1_CARPA	45	36
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053534	EC	On-Demand	Reactive	CTSK	17	44
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053534	EC	On-Demand	Reactive	CAPNS1	56	34
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053534	EC	On-Demand	Reactive	CAPN1	63	46
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053534	EC	On-Demand	Reactive	CAPN2	88	38
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000772053534	EC	On-Demand	Reactive	NPR	47	38
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)OC(C)(C)C	ZINC000772055140	DC	On-Demand	Reactive	PAPA1_CARPA	34	42
CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)OC(C)(C)C	ZINC000772055142	DC	On-Demand	Reactive	PAPA1_CARPA	34	42
C/C(=C\C(C)(C)C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000772071231	EH	On-Demand	Anodyne	CTSK	18	45
C/C(=C/C(C)(C)C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000772071235	EH	On-Demand	Anodyne	CTSK	18	45
C/C(=C\C(C)(C)C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000772071239	EH	On-Demand	Anodyne	CTSK	18	45
C/C(=C/C(C)(C)C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000772071243	EH	On-Demand	Anodyne	CTSK	18	45
CC(=O)CCCCCCC(=O)OCC#N	ZINC000772080170	BD	On-Demand	Mild	PAOX	41	39
CC(=O)CCCCCCC(=O)OCC(C)C	ZINC000772080176	BG	On-Demand	Anodyne	PAOX	42	40
CC(=O)CCCCCCC(=O)OCC(C)C	ZINC000772080176	BG	On-Demand	Anodyne	LPAR3	28	41
CC(=O)CCCCCCC(=O)OCC(C)C	ZINC000772080176	BG	On-Demand	Anodyne	ENPP2	15	40
CC(=O)CCCCCCC(=O)OC[Si](C)(C)C	ZINC000772080258	CG	On-Demand	Anodyne	PAOX	45	40
CNC(=O)COC(=O)CCCCCCC(C)=O	ZINC000772081011	BD	On-Demand	Anodyne	PAOX	43	42
C#CCOC(=O)CCCCCCC(C)=O	ZINC000772082158	BE	On-Demand	Mild	PAOX	41	39
C=C(Cl)COC(=O)CCCCCCC(C)=O	ZINC000772082186	BG	On-Demand	Mild	PAOX	41	39
C=CCOC(=O)CCCCCCC(C)=O	ZINC000772082202	BF	On-Demand	Mild	PAOX	42	40
CC(=O)CCCCCCC(=O)OCC(F)F	ZINC000772082343	BF	On-Demand	Anodyne	PAOX	41	39
CC(=O)CCCCCCC(=O)OCC(F)F	ZINC000772082343	BF	On-Demand	Anodyne	LPAR3	28	40
CC(=O)CCCCCCC(=O)OCCO	ZINC000772082950	BD	On-Demand	Anodyne	PAOX	45	41
CC(=O)CCCCCCC(=O)OCC(=O)NC(N)=O	ZINC000772083801	CC	On-Demand	Anodyne	PAOX	41	39
C=C(C)COC(=O)CCCCCCC(C)=O	ZINC000772083869	BG	On-Demand	Mild	PAOX	42	40
CC(=O)CCCCCCC(=O)OCC(F)(F)F	ZINC000772090189	CG	On-Demand	Anodyne	PAOX	41	39
COC(C)(C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772095342	CC	On-Demand	Reactive	PGA	41	34
COC(C)(C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772095345	CC	On-Demand	Reactive	PGA	41	34
COC(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132363	EC	On-Demand	Reactive	CTSD	16	40
COC(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132363	EC	On-Demand	Reactive	PGA	87	40
COC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132366	EC	On-Demand	Reactive	CTSD	16	40
COC(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132366	EC	On-Demand	Reactive	PGA	87	40
COC(=O)N[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132368	EC	On-Demand	Reactive	CTSD	16	40
COC(=O)N[C@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132368	EC	On-Demand	Reactive	PGA	87	40
COC(=O)N[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132370	EC	On-Demand	Reactive	CTSD	16	40
COC(=O)N[C@@H](C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)C(C)C	ZINC000772132370	EC	On-Demand	Reactive	PGA	87	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000772140651	FD	On-Demand	Reactive	PAPA1_CARPA	24	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000772140653	FD	On-Demand	Reactive	PAPA1_CARPA	24	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)CCNC(=O)CC(C)C	ZINC000772157734	DC	On-Demand	Reactive	PGA	46	35
CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCNC(=O)CC(C)C	ZINC000772157735	DC	On-Demand	Reactive	PGA	46	35
CCOC(=O)NCCC(=O)N[C@@H](C(=O)NC)C(C)C	ZINC000772158802	CC	On-Demand	Anodyne	PGA	58	40
CCOC(=O)NCCC(=O)N[C@@H](C(=O)NC)C(C)C	ZINC000772158802	CC	On-Demand	Anodyne	HLA-DRB1	44	36
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000772158882	EC	On-Demand	Reactive	PAPA1_CARPA	33	43
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000772158887	EC	On-Demand	Reactive	PAPA1_CARPA	33	43
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000772158890	EC	On-Demand	Reactive	PAPA1_CARPA	33	43
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000772158895	EC	On-Demand	Reactive	PAPA1_CARPA	33	43
CNC(=O)[C@@H](NC(=O)CCCCCC(C)C)C(C)C	ZINC000772159368	CE	On-Demand	Anodyne	PGA	84	43
CNC(=O)[C@@H](NC(=O)CCCCCC(C)C)C(C)C	ZINC000772159368	CE	On-Demand	Anodyne	NOD1	56	41
CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159481	DD	On-Demand	Anodyne	CTSD	26	45
CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159481	DD	On-Demand	Anodyne	PAPA1_CARPA	34	43
CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159481	DD	On-Demand	Anodyne	PGA	79	45
CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159481	DD	On-Demand	Anodyne	ECE1	29	40
CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159481	DD	On-Demand	Anodyne	PGA5	38	43
CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159481	DD	On-Demand	Anodyne	POLG_HCV1	21	41
CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159484	DD	On-Demand	Anodyne	CTSD	26	45
CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159484	DD	On-Demand	Anodyne	PAPA1_CARPA	34	43
CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159484	DD	On-Demand	Anodyne	PGA	79	45
CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159484	DD	On-Demand	Anodyne	ECE1	29	40
CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159484	DD	On-Demand	Anodyne	PGA5	38	43
CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C	ZINC000772159484	DD	On-Demand	Anodyne	POLG_HCV1	21	41
CCOC(=O)NCC(=O)N[C@@H](C(=O)NC)C(C)C	ZINC000772160804	CB	On-Demand	Anodyne	PGA	64	42
CCOC(=O)NCC(=O)N[C@@H](C(=O)NC)C(C)C	ZINC000772160804	CB	On-Demand	Anodyne	HLA-A	42	40
CCOC(=O)NCC(=O)N[C@@H](C(=O)NC)C(C)C	ZINC000772160804	CB	On-Demand	Anodyne	HLA-DRB1	45	37
CC[C@@H](C)[C@@H](O)C(=O)OCCN(CC)CC	ZINC000772168827	BD	On-Demand	Anodyne	AMY2	39	40
CC[C@@H](C)[C@H](O)C(=O)OCCN(CC)CC	ZINC000772168830	BD	On-Demand	Anodyne	AMY2	39	40
CC[C@H](C)[C@H](O)C(=O)OCCN(CC)CC	ZINC000772168831	BD	On-Demand	Anodyne	AMY2	39	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](O)[C@H](C)CC	ZINC000772169617	CB	On-Demand	Reactive	ENPEP	55	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](O)[C@@H](C)CC	ZINC000772169619	CB	On-Demand	Reactive	ENPEP	55	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](O)[C@@H](C)CC	ZINC000772169621	CB	On-Demand	Reactive	ENPEP	55	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](O)[C@H](C)CC	ZINC000772169623	CB	On-Demand	Reactive	ENPEP	55	32
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)[C@H](C)CC(C)(C)C	ZINC000772183684	DG	On-Demand	Anodyne	PAPA1_CARPA	35	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)OC	ZINC000772183729	CB	On-Demand	Reactive	ENPEP	49	32
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)OC	ZINC000772183732	CB	On-Demand	Reactive	ENPEP	49	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(=O)OC	ZINC000772183735	CB	On-Demand	Reactive	ENPEP	49	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)OC	ZINC000772183738	CB	On-Demand	Reactive	ENPEP	49	32
CCC(=CC(=O)OCCN(CC)CC)CC	ZINC000772187379	BF	On-Demand	Anodyne	AMY2	39	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)C(C)(C)CNC(=O)OC(C)(C)C	ZINC000772187907	FD	On-Demand	Reactive	PAPA1_CARPA	24	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C(C)(C)CNC(=O)OC(C)(C)C	ZINC000772187908	FD	On-Demand	Reactive	PAPA1_CARPA	24	40
CCC(CC)CC(=O)OCCN(CC)CC	ZINC000772188952	BF	On-Demand	Anodyne	AMY2	40	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000772200458	EC	On-Demand	Reactive	PAPA1_CARPA	36	48
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000772200458	EC	On-Demand	Reactive	CTSK	16	48
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000772200461	EC	On-Demand	Reactive	PAPA1_CARPA	36	48
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000772200461	EC	On-Demand	Reactive	CTSK	16	48
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204181	FD	On-Demand	Reactive	PAPA1_CARPA	24	45
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204181	FD	On-Demand	Reactive	CTSK	15	45
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204181	FD	On-Demand	Reactive	ECE1	29	42
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204181	FD	On-Demand	Reactive	PGA5	23	41
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204182	FD	On-Demand	Reactive	PAPA1_CARPA	24	45
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204182	FD	On-Demand	Reactive	CTSK	15	45
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204182	FD	On-Demand	Reactive	ECE1	29	42
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000772204182	FD	On-Demand	Reactive	PGA5	23	41
CCC[C@](C)(O)C(=O)OCCN(CC)CC	ZINC000772209205	BD	On-Demand	Anodyne	AMY2	49	51
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@H](O)C(C)C	ZINC000772212470	CB	On-Demand	Reactive	PGA	39	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](O)C(C)C	ZINC000772212471	CB	On-Demand	Reactive	PGA	39	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](O)C(C)C	ZINC000772212472	CB	On-Demand	Reactive	PGA	39	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)C[C@@H](O)C(C)C	ZINC000772212473	CB	On-Demand	Reactive	PGA	39	40
CCC(CC)[C@@H](C)C(=O)OCCN(CC)CC	ZINC000772232651	BF	On-Demand	Anodyne	AMY2	40	40
CCC(CC)[C@H](C)C(=O)OCCN(CC)CC	ZINC000772232653	BF	On-Demand	Anodyne	AMY2	40	40
COC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772233118	DB	On-Demand	Reactive	PGA	60	41
COC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772233119	DB	On-Demand	Reactive	PGA	60	41
CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC)C(C)C)C(C)C	ZINC000772237226	CC	On-Demand	Anodyne	PGA	42	34
CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC)C(C)C)C(C)C	ZINC000772237226	CC	On-Demand	Anodyne	PGA5	37	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CCCOC	ZINC000772244433	CC	On-Demand	Reactive	NOD1	44	31
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CCCOC	ZINC000772244434	CC	On-Demand	Reactive	NOD1	44	31
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CCCOC	ZINC000772244435	CC	On-Demand	Reactive	NOD1	44	31
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CCCOC	ZINC000772244436	CC	On-Demand	Reactive	NOD1	44	31
CC[C@@H](C)[C@H](C)C(=O)OCCN(CC)CC	ZINC000772256571	BF	On-Demand	Anodyne	AMY2	40	40
CC[C@H](C)[C@H](C)C(=O)OCCN(CC)CC	ZINC000772256573	BF	On-Demand	Anodyne	AMY2	40	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)[C@@H](C)CC	ZINC000772256945	CD	On-Demand	Reactive	ENPEP	55	33
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)[C@H](C)CC	ZINC000772256951	CD	On-Demand	Reactive	ENPEP	55	33
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)[C@@H](C)CC	ZINC000772256954	CD	On-Demand	Reactive	ENPEP	55	33
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)[C@H](C)CC	ZINC000772256958	CD	On-Demand	Reactive	ENPEP	55	33
CCCC[C@@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)OC	ZINC000772259971	CF	On-Demand	Anodyne	NOD1	56	33
CCCC[C@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)OC	ZINC000772259974	CF	On-Demand	Anodyne	NOD1	56	33
CCCC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)OC	ZINC000772259976	CF	On-Demand	Anodyne	NOD1	56	33
CCCC[C@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)OC	ZINC000772259979	CF	On-Demand	Anodyne	NOD1	56	33
CCCCC[C@@H](C)NC(=O)CSCC=C(C)C	ZINC000772264456	CH	On-Demand	Anodyne	NOD1	60	39
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295610	DC	On-Demand	Reactive	CTSB	18	43
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295610	DC	On-Demand	Reactive	CAPNS1	46	31
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295610	DC	On-Demand	Reactive	CAPN1	35	43
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295610	DC	On-Demand	Reactive	CAPN2	46	33
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295625	DC	On-Demand	Reactive	CTSB	18	43
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295625	DC	On-Demand	Reactive	CAPNS1	46	31
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295625	DC	On-Demand	Reactive	CAPN1	35	43
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000772295625	DC	On-Demand	Reactive	CAPN2	46	33
CC(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772298935	EC	On-Demand	Reactive	CTSD	21	44
CC(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772298935	EC	On-Demand	Reactive	PGA	86	44
CC(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772298935	EC	On-Demand	Reactive	CAPN1	28	42
CC(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772298938	EC	On-Demand	Reactive	CTSD	21	44
CC(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772298938	EC	On-Demand	Reactive	PGA	86	44
CC(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000772298938	EC	On-Demand	Reactive	CAPN1	28	42
CCCCCCCCCN(C)C(=O)CC#N	ZINC000772338895	BG	On-Demand	Mild	CQSS	48	30
CCCCCCCCCN(C)C(=O)CC(=O)NC	ZINC000772345880	CE	On-Demand	Mild	CQSS	48	30
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359565	CD	On-Demand	Reactive	PAPA1_CARPA	30	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359565	CD	On-Demand	Reactive	CAPNS1	52	32
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359565	CD	On-Demand	Reactive	CAPN1	51	36
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359565	CD	On-Demand	Reactive	CAPN2	65	35
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359565	CD	On-Demand	Reactive	NPR	45	36
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359566	CD	On-Demand	Reactive	PAPA1_CARPA	30	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359566	CD	On-Demand	Reactive	CAPNS1	52	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359566	CD	On-Demand	Reactive	CAPN1	51	36
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359566	CD	On-Demand	Reactive	CAPN2	65	35
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359566	CD	On-Demand	Reactive	NPR	45	36
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359568	CD	On-Demand	Reactive	PAPA1_CARPA	30	40
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359568	CD	On-Demand	Reactive	CAPNS1	52	32
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359568	CD	On-Demand	Reactive	CAPN1	51	36
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359568	CD	On-Demand	Reactive	CAPN2	65	35
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(C)C	ZINC000772359568	CD	On-Demand	Reactive	NPR	45	36
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359570	CD	On-Demand	Reactive	PAPA1_CARPA	30	40
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359570	CD	On-Demand	Reactive	CAPNS1	52	32
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359570	CD	On-Demand	Reactive	CAPN1	51	36
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359570	CD	On-Demand	Reactive	CAPN2	65	35
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)CC(C)C	ZINC000772359570	CD	On-Demand	Reactive	NPR	45	36
C#CCC(C)(C)C(=O)OCCN(CC)CC	ZINC000772362991	BD	On-Demand	Mild	AMY2	47	49
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000772363655	EC	On-Demand	Reactive	PAPA1_CARPA	36	48
CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000772363655	EC	On-Demand	Reactive	CTSK	16	48
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000772363659	EC	On-Demand	Reactive	PAPA1_CARPA	36	48
CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000772363659	EC	On-Demand	Reactive	CTSK	16	48
C=C(C)C[C@@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC	ZINC000772365128	CD	On-Demand	Reactive	ENPEP	48	31
C=C(C)C[C@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	ZINC000772365129	CD	On-Demand	Reactive	ENPEP	48	31
C=C(C)C[C@H](C)C(=O)O[C@H](C)C(=O)NNC(=O)CC	ZINC000772365131	CD	On-Demand	Reactive	ENPEP	48	31
C=C(C)C[C@@H](C)C(=O)O[C@@H](C)C(=O)NNC(=O)CC	ZINC000772365133	CD	On-Demand	Reactive	ENPEP	48	31
COC(=O)CCCOC(=O)CCCC(C)=O	ZINC000772369103	BD	On-Demand	Anodyne	PAOX	32	40
CCCCCOC(=O)CCCC(C)=O	ZINC000772369968	BE	On-Demand	Anodyne	PLA2G4B	55	32
CCCCCOC(=O)CCCC(C)=O	ZINC000772369968	BE	On-Demand	Anodyne	FBA1	26	45
CCCCCOC(=O)CCCC(C)=O	ZINC000772369968	BE	On-Demand	Anodyne	NOD1	19	46
CCCCCOC(=O)CCCC(C)=O	ZINC000772369968	BE	On-Demand	Anodyne	CQSS	52	33
CC(=O)CCCC(=O)OC[C@H](O)COC(C)C	ZINC000772370694	BD	On-Demand	Anodyne	LPAR3	17	43
CC(=O)CCCC(=O)OC[C@@H](O)COC(C)C	ZINC000772370696	BD	On-Demand	Anodyne	LPAR3	17	43
CCCCNC(=O)CCN(C)[C@H](C)C(N)=O	ZINC000772391198	BC	On-Demand	Anodyne	NOD1	55	40
CCCCNC(=O)CCN(C)[C@@H](C)C(N)=O	ZINC000772391205	BC	On-Demand	Anodyne	NOD1	55	40
CCCCCCCCN(C)[C@H](C)C(N)=O	ZINC000772394363	BE	On-Demand	Mild	CQSS	58	38
CCCCCCCCN(C)[C@@H](C)C(N)=O	ZINC000772394364	BE	On-Demand	Mild	CQSS	58	38
CCCCCCCN(C)[C@@H](C)C(N)=O	ZINC000772395248	BD	On-Demand	Mild	CQSS	58	38
CCCCCCCN(C)[C@H](C)C(N)=O	ZINC000772395250	BD	On-Demand	Mild	CQSS	58	38
COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)[C@H](C)C(N)=O	ZINC000772396566	CB	On-Demand	Anodyne	PGA	16	40
COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)[C@@H](C)C(N)=O	ZINC000772396708	CB	On-Demand	Anodyne	PGA	16	40
C#CCCCCCC(=O)N[C@H](C#N)CC	ZINC000772399309	BD	On-Demand	Mild	NOD1	52	37
CCCCC[C@@H](C)NC(=O)N(C)[C@H](C)C(N)=O	ZINC000772403474	BD	On-Demand	Anodyne	NOD1	67	35
CCCCC[C@@H](C)NC(=O)N(C)[C@@H](C)C(N)=O	ZINC000772403501	BD	On-Demand	Anodyne	NOD1	67	35
CCCCCNC(=O)CN(C)[C@H](C)C(N)=O	ZINC000772404024	BC	On-Demand	Anodyne	NOD1	44	38
CCCCCNC(=O)CN(C)[C@@H](C)C(N)=O	ZINC000772404027	BC	On-Demand	Anodyne	NOD1	44	38
CCCCC[C@@H](C)NC(=O)CN(C)[C@H](C)C(N)=O	ZINC000772404148	CC	On-Demand	Anodyne	NOD1	79	36
CCCCC[C@@H](C)NC(=O)CN(C)[C@@H](C)C(N)=O	ZINC000772404150	CC	On-Demand	Anodyne	NOD1	79	36
CCCCCNC(=O)[C@@H](C)N(C)[C@H](C)C(N)=O	ZINC000772419286	BC	On-Demand	Anodyne	ASAH1	57	33
CCCCCNC(=O)[C@H](C)N(C)[C@@H](C)C(N)=O	ZINC000772419287	BC	On-Demand	Anodyne	ASAH1	57	33
CCCCCNC(=O)[C@@H](C)N(C)[C@@H](C)C(N)=O	ZINC000772419288	BC	On-Demand	Anodyne	ASAH1	57	33
CCCCCNC(=O)[C@H](C)N(C)[C@H](C)C(N)=O	ZINC000772419289	BC	On-Demand	Anodyne	ASAH1	57	33
CCCCCCCCCNC(=O)N(C)[C@H](C)C(N)=O	ZINC000772428625	CE	On-Demand	Mild	TPP2	16	40
CCCCCCCCCNC(=O)N(C)[C@H](C)C(N)=O	ZINC000772428625	CE	On-Demand	Mild	ASAH1	79	35
CCCCCCCCCNC(=O)N(C)[C@H](C)C(N)=O	ZINC000772428625	CE	On-Demand	Mild	NOD1	75	38
CCCCCCCCCNC(=O)N(C)[C@H](C)C(N)=O	ZINC000772428625	CE	On-Demand	Mild	CQSS	51	33
CCCCCCCCCNC(=O)N(C)[C@@H](C)C(N)=O	ZINC000772428627	CE	On-Demand	Mild	TPP2	16	40
CCCCCCCCCNC(=O)N(C)[C@@H](C)C(N)=O	ZINC000772428627	CE	On-Demand	Mild	ASAH1	79	35
CCCCCCCCCNC(=O)N(C)[C@@H](C)C(N)=O	ZINC000772428627	CE	On-Demand	Mild	NOD1	75	38
CCCCCCCCCNC(=O)N(C)[C@@H](C)C(N)=O	ZINC000772428627	CE	On-Demand	Mild	CQSS	51	33
CCOC(=O)N[C@@H](CNC(=O)N(C)[C@H](C)C(N)=O)CC(C)C	ZINC000772442830	DC	On-Demand	Anodyne	HLA-DRB1	48	35
CCOC(=O)N[C@H](CNC(=O)N(C)[C@H](C)C(N)=O)CC(C)C	ZINC000772442832	DC	On-Demand	Anodyne	HLA-DRB1	48	35
CCOC(=O)N[C@H](CNC(=O)N(C)[C@@H](C)C(N)=O)CC(C)C	ZINC000772443490	DC	On-Demand	Anodyne	HLA-DRB1	48	35
CCOC(=O)N[C@@H](CNC(=O)N(C)[C@@H](C)C(N)=O)CC(C)C	ZINC000772443494	DC	On-Demand	Anodyne	HLA-DRB1	48	35
CCCCCN(C(=O)N(C)CCC)C(C)C	ZINC000772449694	BG	On-Demand	Anodyne	CQSS	49	33