COCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648183	DB	On-Demand	Anodyne	PAPA1_CARPA	44	47
COCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648183	DB	On-Demand	Anodyne	CCKAR	33	43
COCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648183	DB	On-Demand	Anodyne	CTSK	17	47
COCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648183	DB	On-Demand	Anodyne	TACR3	15	48
COCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648183	DB	On-Demand	Anodyne	ECE1	25	40
COCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648185	DB	On-Demand	Anodyne	PAPA1_CARPA	44	47
COCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648185	DB	On-Demand	Anodyne	CCKAR	33	43
COCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648185	DB	On-Demand	Anodyne	CTSK	17	47
COCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648185	DB	On-Demand	Anodyne	TACR3	15	48
COCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747648185	DB	On-Demand	Anodyne	ECE1	25	40
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	CTSD	23	43
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	PAPA1_CARPA	47	51
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	CCKAR	41	43
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	CTSK	27	48
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	PGA	15	40
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	TACR3	16	50
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	GRIA1	73	36
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	ECE1	31	43
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	CCKBR	16	40
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	PGA5	24	41
CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649265	DD	On-Demand	Anodyne	FPR1	43	38
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	CTSD	23	43
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	PAPA1_CARPA	47	51
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	CCKAR	41	43
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	CTSK	27	48
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	PGA	15	40
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	TACR3	16	50
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	GRIA1	73	36
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	ECE1	31	43
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	CCKBR	16	40
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	PGA5	24	41
CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649266	DD	On-Demand	Anodyne	FPR1	43	38
CONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649679	CB	On-Demand	Anodyne	PAPA1_CARPA	41	47
CONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649679	CB	On-Demand	Anodyne	CTSK	17	47
CONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649679	CB	On-Demand	Anodyne	ECE1	28	44
CONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649679	CB	On-Demand	Anodyne	POLG_HCV1	22	40
CONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649679	CB	On-Demand	Anodyne	FPR1	41	39
CONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649680	CB	On-Demand	Anodyne	PAPA1_CARPA	41	47
CONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649680	CB	On-Demand	Anodyne	CTSK	17	47
CONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649680	CB	On-Demand	Anodyne	ECE1	28	44
CONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649680	CB	On-Demand	Anodyne	POLG_HCV1	22	40
CONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747649680	CB	On-Demand	Anodyne	FPR1	41	39
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCCCNS(C)(=O)=O	ZINC000747650125	FA	On-Demand	Anodyne	PAPA1_CARPA	37	42
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCCCNS(C)(=O)=O	ZINC000747650125	FA	On-Demand	Anodyne	CCKAR	29	40
CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650505	DB	On-Demand	Anodyne	PAPA1_CARPA	40	47
CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650505	DB	On-Demand	Anodyne	CTSK	15	44
CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650505	DB	On-Demand	Anodyne	ECE1	30	44
CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650505	DB	On-Demand	Anodyne	FPR1	40	37
CCNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650511	DB	On-Demand	Anodyne	PAPA1_CARPA	40	47
CCNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650511	DB	On-Demand	Anodyne	CTSK	15	44
CCNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650511	DB	On-Demand	Anodyne	ECE1	30	44
CCNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650511	DB	On-Demand	Anodyne	FPR1	40	37
COC[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650527	DB	On-Demand	Anodyne	PAPA1_CARPA	38	42
COC[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650527	DB	On-Demand	Anodyne	CTSK	17	45
COC[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650527	DB	On-Demand	Anodyne	ECE1	31	43
COC[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650527	DB	On-Demand	Anodyne	FPR1	47	40
COC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650528	DB	On-Demand	Anodyne	PAPA1_CARPA	38	42
COC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650528	DB	On-Demand	Anodyne	CTSK	17	45
COC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650528	DB	On-Demand	Anodyne	ECE1	31	43
COC[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650528	DB	On-Demand	Anodyne	FPR1	47	40
COC[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650529	DB	On-Demand	Anodyne	PAPA1_CARPA	38	42
COC[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650529	DB	On-Demand	Anodyne	CTSK	17	45
COC[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650529	DB	On-Demand	Anodyne	ECE1	31	43
COC[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650529	DB	On-Demand	Anodyne	FPR1	47	40
COC[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650530	DB	On-Demand	Anodyne	PAPA1_CARPA	38	42
COC[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650530	DB	On-Demand	Anodyne	CTSK	17	45
COC[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650530	DB	On-Demand	Anodyne	ECE1	31	43
COC[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747650530	DB	On-Demand	Anodyne	FPR1	47	40
CCOCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652864	DB	On-Demand	Anodyne	PAPA1_CARPA	40	47
CCOCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652864	DB	On-Demand	Anodyne	CCKAR	17	43
CCOCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652864	DB	On-Demand	Anodyne	CTSK	17	48
CCOCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652864	DB	On-Demand	Anodyne	ECE1	30	42
CCOCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652865	DB	On-Demand	Anodyne	PAPA1_CARPA	40	47
CCOCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652865	DB	On-Demand	Anodyne	CCKAR	17	43
CCOCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652865	DB	On-Demand	Anodyne	CTSK	17	48
CCOCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747652865	DB	On-Demand	Anodyne	ECE1	30	42
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC[S@@](=O)C(C)(C)C	ZINC000747656784	FC	On-Demand	Anodyne	PAPA1_CARPA	39	43
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC[S@@](=O)C(C)(C)C	ZINC000747656784	FC	On-Demand	Anodyne	CCKAR	26	42
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC[S@](=O)C(C)(C)C	ZINC000747656786	FC	On-Demand	Anodyne	PAPA1_CARPA	39	43
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC[S@](=O)C(C)(C)C	ZINC000747656786	FC	On-Demand	Anodyne	CCKAR	26	42
C[C@H](C#N)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747656851	CC	On-Demand	Mild	PAPA1_CARPA	47	51
C[C@H](C#N)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747656851	CC	On-Demand	Mild	CTSK	15	54
C[C@H](C#N)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747656851	CC	On-Demand	Mild	ECE1	27	45
C[C@H](C#N)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747656854	CC	On-Demand	Mild	PAPA1_CARPA	47	51
C[C@H](C#N)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747656854	CC	On-Demand	Mild	CTSK	15	54
C[C@H](C#N)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747656854	CC	On-Demand	Mild	ECE1	27	45
CC(C)(O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657634	DB	On-Demand	Anodyne	PAPA1_CARPA	44	48
CC(C)(O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657634	DB	On-Demand	Anodyne	CCKAR	30	46
CC(C)(O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657634	DB	On-Demand	Anodyne	CTSK	17	48
CC(C)(O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657634	DB	On-Demand	Anodyne	ECE1	29	43
CC(C)(O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657637	DB	On-Demand	Anodyne	PAPA1_CARPA	44	48
CC(C)(O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657637	DB	On-Demand	Anodyne	CCKAR	30	46
CC(C)(O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657637	DB	On-Demand	Anodyne	CTSK	17	48
CC(C)(O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000747657637	DB	On-Demand	Anodyne	ECE1	29	43
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC(C)(C)S(C)(=O)=O	ZINC000747659052	FB	On-Demand	Anodyne	PAPA1_CARPA	40	44
CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NCC(C)(C)S(C)(=O)=O	ZINC000747659052	FB	On-Demand	Anodyne	ECE1	25	40
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	CES2	50	42
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	CES1	27	42
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	EST1_PIG	65	42
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	CES2C	57	37
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	FABP3	23	40
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	FABP5	15	43
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	LASR	42	36
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	NOD1	55	40
CCCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684458	BI	On-Demand	Mild	CQSS	62	38
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	CES2	50	42
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	CES1	27	42
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	EST1_PIG	65	42
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	CES2C	57	37
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	FABP3	23	40
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	FABP5	15	43
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	LASR	42	36
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	NOD1	55	40
CCCCCCCC(=O)NC(C)(C)CCC	ZINC000747684676	BI	On-Demand	Mild	CQSS	62	38
CCCCSCC(=O)NC(C)(C)CCC	ZINC000747684677	BG	On-Demand	Anodyne	CES2	20	46
CCCCSCC(=O)NC(C)(C)CCC	ZINC000747684677	BG	On-Demand	Anodyne	CES1	20	50
CCCCSCC(=O)NC(C)(C)CCC	ZINC000747684677	BG	On-Demand	Anodyne	EST1_PIG	57	50
CCCCSCC(=O)NC(C)(C)CCC	ZINC000747684677	BG	On-Demand	Anodyne	CES2C	22	46
COC(=O)N[C@H](CC(C)C)C(=O)OCCCC(N)=O	ZINC000747796148	CC	On-Demand	Anodyne	CAPNS1	46	32
COC(=O)N[C@H](CC(C)C)C(=O)OCCCC(N)=O	ZINC000747796148	CC	On-Demand	Anodyne	CAPN1	40	47
COC(=O)N[C@H](CC(C)C)C(=O)OCCCC(N)=O	ZINC000747796148	CC	On-Demand	Anodyne	CAPN2	48	35
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)C(C)C	ZINC000747801429	CC	On-Demand	Anodyne	PGA	21	41
CCCCC[C@@H](C)NC(=O)COC(=O)C(C)C	ZINC000747802674	BE	On-Demand	Anodyne	NOD1	91	39
CCCCCNC(=O)COC(=O)C(C)C	ZINC000747804125	BD	On-Demand	Anodyne	ASAH1	70	36
CCCCCNC(=O)COC(=O)C(C)C	ZINC000747804125	BD	On-Demand	Anodyne	NOD1	69	41
CCCCCNC(=O)COC(=O)C(C)C	ZINC000747804125	BD	On-Demand	Anodyne	CQSS	40	32
CCCCCNC(=O)COC(=O)CCC	ZINC000747811335	BD	On-Demand	Anodyne	EPHX2	17	44
CCCCCNC(=O)COC(=O)CCC	ZINC000747811335	BD	On-Demand	Anodyne	ASAH1	62	35
CCCCCNC(=O)COC(=O)CCC	ZINC000747811335	BD	On-Demand	Anodyne	NOD1	45	38
CCCCCNC(=O)COC(=O)CCCC	ZINC000747811833	BE	On-Demand	Anodyne	EPHX2	20	47
CCCCCNC(=O)COC(=O)CCCC	ZINC000747811833	BE	On-Demand	Anodyne	ASAH1	62	35
CCCCCNC(=O)COC(=O)CCCC	ZINC000747811833	BE	On-Demand	Anodyne	NOD1	68	41
CCCCC[C@@H](C)NC(=O)COC(=O)CCC	ZINC000747811841	BE	On-Demand	Anodyne	NOD1	96	40
CCCCC[C@@H](C)NC(=O)COC(=O)CCC	ZINC000747811841	BE	On-Demand	Anodyne	CQSS	52	33
CCCCSCC(=O)N(C)CC(=O)NC	ZINC000747823754	BC	On-Demand	Anodyne	CES1	17	42
CCCCSCC(=O)N(C)CC(=O)NC	ZINC000747823754	BC	On-Demand	Anodyne	EST1_PIG	49	42
CCCCSCC(=O)N([C@@H](C)CC)[C@H](C)CC	ZINC000747823883	CH	On-Demand	Anodyne	CES1	19	47
CCCCSCC(=O)N([C@@H](C)CC)[C@H](C)CC	ZINC000747823883	CH	On-Demand	Anodyne	EST1_PIG	54	47
CCCCSCC(=O)N([C@@H](C)CC)[C@H](C)CC	ZINC000747823883	CH	On-Demand	Anodyne	CQSS	53	33
CCCCSCC(=O)N([C@H](C)CC)[C@H](C)CC	ZINC000747823891	CH	On-Demand	Anodyne	CES1	19	47
CCCCSCC(=O)N([C@H](C)CC)[C@H](C)CC	ZINC000747823891	CH	On-Demand	Anodyne	EST1_PIG	54	47
CCCCSCC(=O)N([C@H](C)CC)[C@H](C)CC	ZINC000747823891	CH	On-Demand	Anodyne	CQSS	53	33
CCCCSCC(=O)N([C@@H](C)CC)[C@@H](C)CC	ZINC000747823893	CH	On-Demand	Anodyne	CES1	19	47
CCCCSCC(=O)N([C@@H](C)CC)[C@@H](C)CC	ZINC000747823893	CH	On-Demand	Anodyne	EST1_PIG	54	47
CCCCSCC(=O)N([C@@H](C)CC)[C@@H](C)CC	ZINC000747823893	CH	On-Demand	Anodyne	CQSS	53	33
CCCCSCC(=O)NCC(=O)NCC	ZINC000747823916	BC	On-Demand	Anodyne	CES1	19	46
CCCCSCC(=O)NCC(=O)NCC	ZINC000747823916	BC	On-Demand	Anodyne	EST1_PIG	52	46
CCCCSCC(=O)NCC(=O)N(C)C	ZINC000747823922	BC	On-Demand	Anodyne	CES1	18	43
CCCCSCC(=O)NCC(=O)N(C)C	ZINC000747823922	BC	On-Demand	Anodyne	EST1_PIG	50	43
CCCCSCC(=O)NCC(=O)NC	ZINC000747824286	BC	On-Demand	Anodyne	CES1	19	46
CCCCSCC(=O)NCC(=O)NC	ZINC000747824286	BC	On-Demand	Anodyne	EST1_PIG	52	46
CCCCSCC(=O)NCCCOC(C)C	ZINC000747824323	BE	On-Demand	Anodyne	CES1	17	43
CCCCSCC(=O)NCCCOC(C)C	ZINC000747824323	BE	On-Demand	Anodyne	EST1_PIG	49	43
CCCCSCC(=O)NCC(=O)NCCC	ZINC000747824371	BD	On-Demand	Anodyne	CES1	18	44
CCCCSCC(=O)NCC(=O)NCCC	ZINC000747824371	BD	On-Demand	Anodyne	EST1_PIG	51	44
CCCCSCC(=O)N[C@H](C)CCC(C)C	ZINC000747824390	BG	On-Demand	Anodyne	CES1	18	43
CCCCSCC(=O)N[C@H](C)CCC(C)C	ZINC000747824390	BG	On-Demand	Anodyne	EST1_PIG	50	43
CCCCSCC(=O)N[C@H](C)CCC(C)C	ZINC000747824390	BG	On-Demand	Anodyne	NOD1	56	36
CCCCSCC(=O)N[C@@H](C)CCC(C)C	ZINC000747824394	BG	On-Demand	Anodyne	CES1	18	43
CCCCSCC(=O)N[C@@H](C)CCC(C)C	ZINC000747824394	BG	On-Demand	Anodyne	EST1_PIG	50	43
CCCCSCC(=O)N[C@@H](C)CCC(C)C	ZINC000747824394	BG	On-Demand	Anodyne	NOD1	56	36
CCCCSCC(=O)N[C@H](C)C(=O)NCC	ZINC000747824427	BD	On-Demand	Anodyne	CES1	17	41
CCCCSCC(=O)N[C@H](C)C(=O)NCC	ZINC000747824427	BD	On-Demand	Anodyne	EST1_PIG	47	41
CCCCSCC(=O)N[C@H](C)C(=O)NCC	ZINC000747824427	BD	On-Demand	Anodyne	NOD1	46	35
CCCCSCC(=O)N[C@@H](C)C(=O)NCC	ZINC000747824689	BD	On-Demand	Anodyne	CES1	17	41
CCCCSCC(=O)N[C@@H](C)C(=O)NCC	ZINC000747824689	BD	On-Demand	Anodyne	EST1_PIG	47	41
CCCCSCC(=O)N[C@@H](C)C(=O)NCC	ZINC000747824689	BD	On-Demand	Anodyne	NOD1	46	35
CCCCSCC(=O)NCC(=O)NC(C)C	ZINC000747824746	BD	On-Demand	Anodyne	CES1	17	42
CCCCSCC(=O)NCC(=O)NC(C)C	ZINC000747824746	BD	On-Demand	Anodyne	EST1_PIG	49	42
CCCCC[C@@H](C)NC(=O)CSCCCC	ZINC000747824830	BH	On-Demand	Anodyne	CES2	15	45
CCCCC[C@@H](C)NC(=O)CSCCCC	ZINC000747824830	BH	On-Demand	Anodyne	CES1	19	45
CCCCC[C@@H](C)NC(=O)CSCCCC	ZINC000747824830	BH	On-Demand	Anodyne	EST1_PIG	55	45
CCCCC[C@@H](C)NC(=O)CSCCCC	ZINC000747824830	BH	On-Demand	Anodyne	NOD1	79	40
CCCCSCC(=O)NC(C)(C)CC(C)(C)C	ZINC000747824853	CH	On-Demand	Anodyne	CES1	19	47
CCCCSCC(=O)NC(C)(C)CC(C)(C)C	ZINC000747824853	CH	On-Demand	Anodyne	EST1_PIG	54	47
C=C(C)CSCC(=O)N[C@H](C)CCCCCC	ZINC000747847734	CH	On-Demand	Mild	EST1_PIG	48	34
C=C(C)CSCC(=O)N[C@H](C)CCCCCC	ZINC000747847734	CH	On-Demand	Mild	NOD1	83	40
C=C(C)CSCC(=O)N[C@@H](C)CCCCCC	ZINC000747847737	CH	On-Demand	Mild	EST1_PIG	48	34
C=C(C)CSCC(=O)N[C@@H](C)CCCCCC	ZINC000747847737	CH	On-Demand	Mild	NOD1	83	40
CCCCCNC(=O)COC(=O)CNC(C)=O	ZINC000747860843	BB	On-Demand	Anodyne	ASAH1	43	33
CCCCC[C@@H](C)NC(=O)COC(=O)CC	ZINC000747860844	BE	On-Demand	Anodyne	NOD1	89	38
CCCCC[C@@H](C)NC(=O)COC(=O)CC	ZINC000747860844	BE	On-Demand	Anodyne	CQSS	51	33
CCC(=O)OCC(=O)N[C@H](C)CCCC(C)C	ZINC000747860846	BE	On-Demand	Anodyne	NOD1	45	31
CCC(=O)OCC(=O)N[C@@H](C)CCCC(C)C	ZINC000747860847	BE	On-Demand	Anodyne	NOD1	45	31
CCCCC[C@@H](C)NC(=O)COC(=O)CNC(C)=O	ZINC000747861152	CC	On-Demand	Anodyne	NOD1	75	35
CCCCCNC(=O)COC(=O)CC	ZINC000747861181	BD	On-Demand	Anodyne	ASAH1	69	35
CCC(=O)OCC(=O)N[C@H](CC(C)C)C(=O)OC	ZINC000747861245	CC	On-Demand	Anodyne	PGA	21	40
C#CCNC(=O)COC(=O)CCCCC	ZINC000747863166	BC	On-Demand	Mild	NOD1	44	33
C#CCNC(=O)COC(=O)CCCCC	ZINC000747863166	BC	On-Demand	Mild	CQSS	50	32
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C	ZINC000747871393	FF	On-Demand	Anodyne	CTSK	15	41
CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OC(C)(C)C	ZINC000747871395	FF	On-Demand	Anodyne	CTSK	15	41
CCN(CC)C(=O)CCCCCC(C)C	ZINC000747872605	BG	On-Demand	Anodyne	CQSS	55	36
CCN(C)C(=O)CCCCCC(C)C	ZINC000747872906	AG	On-Demand	Anodyne	CQSS	52	34
CC[C@H](C)NC(=O)CCCCCC(C)C	ZINC000747872939	BH	On-Demand	Anodyne	NOD1	95	46
CC[C@H](C)NC(=O)CCCCCC(C)C	ZINC000747872939	BH	On-Demand	Anodyne	CQSS	54	33
CNC(=O)CNC(=O)CCCCCC(C)C	ZINC000747873200	BD	On-Demand	Anodyne	NOD1	45	36
CCCN(CC)C(=O)CCCCCC(C)C	ZINC000747873370	BH	On-Demand	Anodyne	CQSS	54	35
COC[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747873935	BF	On-Demand	Anodyne	NOD1	71	40
COC[C@H](C)NC(=O)CCCCCC(C)C	ZINC000747873967	BF	On-Demand	Anodyne	NOD1	71	40
CCOCCNC(=O)CCCCCC(C)C	ZINC000747874296	BF	On-Demand	Anodyne	NOD1	60	40
CCN(C(=O)CCCCCC(C)C)C(C)C	ZINC000747874348	BH	On-Demand	Anodyne	CQSS	51	33
CCNC(=O)CNC(=O)CCCCCC(C)C	ZINC000747875221	BD	On-Demand	Anodyne	NOD1	59	40
CNC(=O)[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747875812	BD	On-Demand	Anodyne	PGA	54	37
CNC(=O)[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747875812	BD	On-Demand	Anodyne	NOD1	62	41
COCC[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747876128	BG	On-Demand	Anodyne	NOD1	71	40
COCC[C@H](C)NC(=O)CCCCCC(C)C	ZINC000747876130	BG	On-Demand	Anodyne	NOD1	71	40
CCCN(CC(F)F)C(=O)CCCCCC(C)C	ZINC000747876952	CI	On-Demand	Anodyne	CQSS	40	33
C#CCCCNC(=O)CCCCCC(C)C	ZINC000747877058	BG	On-Demand	Mild	NOD1	40	40
CCCCCNC(=O)COC(=O)CC(C)C	ZINC000747877516	BD	On-Demand	Anodyne	EPHX2	16	41
CCCCCNC(=O)COC(=O)CC(C)C	ZINC000747877516	BD	On-Demand	Anodyne	ASAH1	61	38
CCCCCNC(=O)COC(=O)CC(C)C	ZINC000747877516	BD	On-Demand	Anodyne	NOD1	66	39
CNC(=O)COC(=O)CCCCCC(C)C	ZINC000747877822	BD	On-Demand	Anodyne	NOD1	46	33
CSCC[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747879576	CH	On-Demand	Anodyne	NOD1	57	40
CSCC[C@H](C)NC(=O)CCCCCC(C)C	ZINC000747879577	CH	On-Demand	Anodyne	NOD1	57	40
CCS(=O)(=O)C[C@H](C)N(C)C(=O)CCCCCC(C)C	ZINC000747879580	DF	On-Demand	Anodyne	CQSS	51	33
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CCCCCC(C)C	ZINC000747879581	DF	On-Demand	Anodyne	CQSS	51	33
CSC[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747879849	BG	On-Demand	Anodyne	NOD1	58	40
COC(=O)CNC(=O)CCCCCC(C)C	ZINC000747889820	BD	On-Demand	Anodyne	NOD1	48	35
CCCCCNC(=O)COC(=O)CC(C)(C)C	ZINC000747900270	BE	On-Demand	Anodyne	ASAH1	43	33
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)CC(C)(C)C	ZINC000747900365	DD	On-Demand	Anodyne	PGA	20	41
CCCCSCC(=O)NCCCNS(=O)(=O)CC	ZINC000747900972	CC	On-Demand	Anodyne	CES1	16	40
CCCCSCC(=O)NCCCNS(=O)(=O)CC	ZINC000747900972	CC	On-Demand	Anodyne	EST1_PIG	46	40
CCCCCNC(=O)COC(=O)CCC(C)=O	ZINC000747901611	BD	On-Demand	Anodyne	ASAH1	40	33
C=CC[C@@H](C)NC(=O)CCCCCC(C)C	ZINC000747907238	BH	On-Demand	Mild	NOD1	58	40
C=CC[C@H](C)NC(=O)CCCCCC(C)C	ZINC000747907244	BH	On-Demand	Mild	NOD1	58	40
CNC(=O)CCNC(=O)CCCCCC(C)C	ZINC000747907401	BD	On-Demand	Anodyne	NOD1	38	41
CC[C@H](C#N)NC(=O)CCCCCC(C)C	ZINC000747907415	BG	On-Demand	Mild	NOD1	87	44
COC[C@H](C)CNC(=O)CCCCCC(C)C	ZINC000747907434	BF	On-Demand	Anodyne	NOD1	45	33
COC[C@@H](C)CNC(=O)CCCCCC(C)C	ZINC000747907435	BF	On-Demand	Anodyne	NOD1	45	33
CO[C@@H](C)CCNC(=O)CCCCCC(C)C	ZINC000747907696	BG	On-Demand	Anodyne	NOD1	44	38
CCOC(=O)CNC(=O)CCCCCC(C)C	ZINC000747915683	BE	On-Demand	Anodyne	NOD1	70	38
COCC(=O)OCC(=O)N[C@H](CC(C)C)C(=O)OC	ZINC000747916308	CB	On-Demand	Anodyne	PGA	21	40
CCCCC[C@@H](C)NC(=O)COC(=O)COC	ZINC000747920134	BD	On-Demand	Anodyne	NOD1	86	37
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000747929418	DD	On-Demand	Anodyne	ECE1	21	45
CNC(=O)[C@@H](C)CN(C)C(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000747929420	DD	On-Demand	Anodyne	ECE1	21	45
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000747930946	DC	On-Demand	Anodyne	CAPN1	31	48
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000747930946	DC	On-Demand	Anodyne	CAPN2	46	36
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000747930946	DC	On-Demand	Anodyne	NPR	41	36
CCCCCCCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000747931638	CH	On-Demand	Mild	NOD1	54	33
CCCCCCCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000747931638	CH	On-Demand	Mild	CQSS	61	39
CCCCCCCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000747931639	CH	On-Demand	Mild	NOD1	54	33
CCCCCCCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000747931639	CH	On-Demand	Mild	CQSS	61	39
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C	ZINC000747932676	FD	On-Demand	Anodyne	PAPA1_CARPA	34	54
CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C	ZINC000747932676	FD	On-Demand	Anodyne	FPR1	29	45
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C	ZINC000747932680	FD	On-Demand	Anodyne	PAPA1_CARPA	34	54
CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C	ZINC000747932680	FD	On-Demand	Anodyne	FPR1	29	45
CC(=O)NNC(=O)CCCCCC(C)C	ZINC000747936532	BD	On-Demand	Reactive	NOD1	40	37
COC(=O)N[C@@H](C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)C(C)C	ZINC000747937374	DD	On-Demand	Anodyne	PGA5	22	40
COC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)C(C)C	ZINC000747937377	DD	On-Demand	Anodyne	PGA5	22	40
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000747937842	FF	On-Demand	Anodyne	PAPA1_CARPA	35	52
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000747937842	FF	On-Demand	Anodyne	CTSK	25	49
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C	ZINC000747937842	FF	On-Demand	Anodyne	PGA5	22	41
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000747937848	FF	On-Demand	Anodyne	PAPA1_CARPA	35	52
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000747937848	FF	On-Demand	Anodyne	CTSK	25	49
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C	ZINC000747937848	FF	On-Demand	Anodyne	PGA5	22	41
CCCCCNC(=O)COC(=O)COCC	ZINC000747944827	BC	On-Demand	Anodyne	ASAH1	60	36
CCCCCNC(=O)COC(=O)C=C(C)C	ZINC000747973144	BD	On-Demand	Anodyne	ASAH1	40	33
CCCCC[C@@H](C)NC(=O)CSCC(C)C	ZINC000747992078	BG	On-Demand	Anodyne	NOD1	77	40
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	PAPA1_CARPA	42	38
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	CTSK	42	52
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	CTSL	33	42
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	CAPNS1	53	32
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	CTSS	25	52
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	CAPN1	69	50
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	CAPN2	93	37
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	FPR1	46	34
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998849	DC	On-Demand	Anodyne	NPR	52	36
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	PAPA1_CARPA	42	38
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	CTSK	42	52
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	CTSL	33	42
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	CAPNS1	53	32
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	CTSS	25	52
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	CAPN1	69	50
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	CAPN2	93	37
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	FPR1	46	34
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000747998850	DC	On-Demand	Anodyne	NPR	52	36
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	PAPA1_CARPA	42	38
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	CTSK	42	52
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	CTSL	33	42
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	CAPNS1	53	32
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	CTSS	25	52
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	CAPN1	69	50
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	CAPN2	93	37
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	FPR1	46	34
COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998851	DC	On-Demand	Anodyne	NPR	52	36
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	PAPA1_CARPA	42	38
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	CTSK	42	52
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	CTSL	33	42
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	CAPNS1	53	32
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	CTSS	25	52
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	CAPN1	69	50
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	CAPN2	93	37
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	FPR1	46	34
COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)C(F)(F)F	ZINC000747998852	DC	On-Demand	Anodyne	NPR	52	36