CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300025550507	0	35	-1.0	-49.31	321.62	1.87	-47.44
C=CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550508	0	36	-1.0	-37.90	314.50	1.76	-36.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300025550509	0	34	-1.0	-38.52	301.43	3.26	-35.26
O=C(CCC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550510	0	30	-1.0	-36.14	297.64	3.45	-32.69
CCCCCCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550511	0	54	-1.0	-39.08	443.63	6.30	-32.78
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=NC=CC=N2)C1	REAL300025550512	0	37	-1.0	-41.18	309.33	1.84	-39.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)CNC2=O)=C1	REAL300025550513	0	36	-1.0	-45.64	323.93	-0.34	-45.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2N1	REAL300025550514	0	28	-1.0	-35.11	276.15	1.59	-33.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2N1	REAL300025550515	0	28	-1.0	-34.73	276.15	1.62	-33.11
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025550516	0	34	-1.0	-41.79	315.56	0.38	-41.41
O=C(CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1)N1CCOCC1	REAL300025550517	0	45	-1.0	-44.89	351.29	1.18	-43.71
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025550518	0	45	-1.0	-43.13	372.95	-1.32	-44.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CCCO2)=C1	REAL300025550519	0	39	-1.0	-41.55	329.54	1.74	-39.81
O=C(COC1=CC=C(Br)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550520	0	28	-1.0	-38.47	291.99	2.77	-35.70
CC1=CC=C(OC2=CC=C(OCC(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025550521	0	42	-1.0	-39.28	364.76	5.13	-34.15
CC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1F	REAL300025550522	0	38	-1.0	-41.60	327.15	2.69	-38.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300025550523	0	36	-1.0	-41.39	330.12	-1.12	-42.51
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1	REAL300025550524	0	42	-1.0	-41.91	358.82	0.90	-41.01
O=C(CCCNC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025550525	0	37	-1.0	-41.97	323.73	0.98	-40.99
COC1=CC=C(C(C)=O)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025550526	0	36	-1.0	-44.67	314.33	1.48	-43.19
COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025550527	0	38	-1.0	-40.03	326.20	1.78	-38.25
CCCN1C(=O)NC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025550528	0	45	-1.0	-40.72	381.75	3.62	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1F	REAL300025550529	0	24	-1.0	-37.73	246.97	1.75	-35.98
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550530	0	36	-1.0	-46.95	329.34	-1.80	-48.75
N#CC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550531	0	33	-1.0	-42.73	320.66	-2.18	-44.91
CSCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025550532	0	34	-1.0	-41.02	314.84	3.35	-37.67
O=C(CCCNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550533	0	39	-1.0	-51.42	353.44	-1.15	-52.57
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025550534	0	32	-1.0	-36.30	299.73	0.90	-35.40
COC1=CC=C(N2C(C)=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550535	0	41	-1.0	-42.54	374.58	3.98	-38.56
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025550536	0	45	-1.0	-41.05	380.76	1.59	-39.46
CC1=NN=C(SCC(=O)NCC2=NC(=O)O[N-]2)N1C1=CC(C)=CC=C1C	REAL300025550537	0	43	-1.0	-42.42	385.68	6.15	-36.27
CCCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550538	0	45	-1.0	-39.30	379.13	3.96	-35.34
CCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550539	0	41	-1.0	-35.91	364.94	3.58	-32.33
CC(C1=CC=CC=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025550540	0	41	-1.0	-40.17	341.10	3.50	-36.67
CN(CCCC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025550541	0	41	-1.0	-44.66	370.00	0.79	-43.87
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025550542	0	44	-1.0	-37.22	366.45	3.69	-33.53
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025550543	0	35	-1.0	-43.79	326.21	4.30	-39.49
COCCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550544	0	39	-1.0	-43.64	352.11	-2.84	-46.48
CC1=CC=C(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025550545	0	41	-1.0	-40.47	365.13	5.32	-35.15
COC1=CC=CC(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550546	0	39	-1.0	-41.07	355.62	3.40	-37.67
CCCCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550547	0	44	-1.0	-38.39	374.35	1.36	-37.03
O=C(CSCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550548	0	31	-1.0	-37.86	311.47	3.72	-34.14
O=C(CCCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025550549	0	35	-1.0	-42.27	320.31	2.74	-39.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300025550550	0	39	-1.0	-42.15	358.61	1.04	-41.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300025550550	1	38	-2.0	-84.63	355.88	1.07	-83.56
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550551	0	34	-1.0	-36.76	316.38	0.91	-35.85
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550552	0	37	-1.0	-40.46	340.44	1.50	-38.96
O=C(CN1C(=O)C2CCCCC2C1=O)NCC1=NC(=O)O[N-]1	REAL300025550553	0	37	-1.0	-42.00	313.76	0.99	-41.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300025550554	0	41	-1.0	-40.35	345.89	5.56	-34.79
CCC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550555	0	43	-1.0	-35.57	363.26	2.93	-32.64
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550556	0	41	-1.0	-37.51	344.59	2.75	-34.76
O=C(CSC1=C2C(C3=CC=CC=C3)=CSC2=NC=N1)NCC1=NC(=O)O[N-]1	REAL300025550557	0	39	-1.0	-39.38	363.88	4.89	-34.49
CC1=CC(OCCCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025550558	0	37	-1.0	-38.15	332.57	3.23	-34.92
O=C(CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)N1CCCC1	REAL300025550559	0	42	-1.0	-49.34	361.82	3.74	-45.60
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025550560	0	30	-1.0	-38.51	292.47	2.86	-35.65
CCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550561	0	39	-1.0	-39.17	338.52	2.60	-36.57
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025550562	0	44	-1.0	-38.68	371.99	3.85	-34.83
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CS1	REAL300025550563	0	35	-1.0	-48.23	310.42	1.35	-46.88
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])CC1	REAL300025550564	0	44	-1.0	-37.41	364.77	4.88	-32.53
CC1=CC(=O)OC2=CC(OCC(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025550565	0	36	-1.0	-47.14	320.50	3.69	-43.45
COC1=CC=C(S(=O)(=O)N2CC(O)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550566	0	44	-1.0	-49.92	381.08	-2.90	-52.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2F)C=C1	REAL300025550567	0	39	-1.0	-39.42	355.92	1.01	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300025550568	0	45	-1.0	-41.40	368.78	1.74	-39.66
CC1CC(C)CN(S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025550569	0	48	-1.0	-41.35	394.77	2.33	-39.02
CC1=NN(C2=CC=C(Cl)C=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025550570	0	37	-1.0	-38.03	359.10	4.66	-33.37
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC(O)CN1S(=O)(=O)C1=CC=C(F)C=C1	REAL300025550571	0	40	-1.0	-47.35	358.00	-2.13	-49.48
CC1=CC=C(S(=O)(=O)N2CC(O)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025550572	0	46	-1.0	-49.39	393.44	-1.72	-51.11
NC(=O)CC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550573	0	45	-1.0	-42.22	387.91	-1.94	-44.16
CC1=CC=C(C)C(N2N=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550574	0	39	-1.0	-40.14	355.89	3.17	-36.97
O=C(CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025550575	0	33	-1.0	-37.80	335.63	-1.21	-39.01
CC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025550576	0	41	-1.0	-42.66	360.31	-0.72	-43.38
CC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025550577	0	38	-1.0	-41.08	338.28	-1.37	-42.45
CC1=CC(Cl)=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550578	0	34	-1.0	-36.69	308.10	3.45	-33.24
CC1=C(C2=CC=CC=C2)OC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C1=O	REAL300025550579	0	42	-1.0	-41.37	360.63	6.46	-34.91
O=C(CCC(=O)C1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025550580	0	29	-1.0	-36.87	295.26	2.07	-34.80
COC1=CC=C(Br)C=C1C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550581	0	36	-1.0	-40.50	335.98	3.53	-36.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL300025550582	0	30	-1.0	-37.47	281.07	0.05	-37.42
CCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025550583	0	40	-1.0	-36.92	351.80	2.86	-34.06
CCCOC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550584	0	38	-1.0	-38.61	327.52	2.63	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300025550585	0	40	-1.0	-40.50	349.44	-1.39	-41.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300025550586	0	42	-1.0	-39.57	358.19	1.05	-38.52
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550587	0	41	-1.0	-39.77	357.81	0.77	-39.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCCC2)C=C1	REAL300025550588	0	45	-1.0	-39.92	372.49	1.95	-37.97
CC1=CC(Br)=CC=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550589	0	31	-1.0	-36.02	304.06	3.38	-32.64
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550590	0	38	-1.0	-37.78	323.45	2.09	-35.69
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025550591	0	40	-1.0	-37.43	334.53	5.63	-31.80
COC1=CC(OC)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550592	0	36	-1.0	-41.50	306.99	0.85	-40.65
O=C(COC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025550593	0	31	-1.0	-39.14	293.38	2.62	-36.52
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550594	0	39	-1.0	-40.78	338.71	-1.25	-42.03
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550595	0	43	-1.0	-38.07	356.21	1.86	-36.21
CC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550596	0	35	-1.0	-41.01	321.25	-1.89	-42.90
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550597	0	40	-1.0	-41.80	351.23	4.87	-36.93
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025550598	0	34	-1.0	-44.95	304.49	2.13	-42.82
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550599	0	42	-1.0	-41.08	373.57	2.37	-38.71
O=C(NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl)C1=CC=CS1	REAL300025550600	0	35	-1.0	-42.21	339.09	2.68	-39.53
O=C(COC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550601	0	28	-1.0	-38.59	287.43	2.66	-35.93
CC1=CC=C(SC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])C=C1	REAL300025550602	0	40	-1.0	-36.52	366.47	6.33	-30.19
O=C(CN1C=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025550603	0	32	-1.0	-45.96	291.40	2.23	-43.73
O=C(C=CC1=CC=C(OC(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550604	0	32	-1.0	-40.21	294.83	1.83	-38.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1	REAL300025550605	0	39	-1.0	-42.22	359.38	-0.80	-43.02
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550606	0	34	-1.0	-37.18	318.80	0.54	-36.64
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025550607	0	31	-1.0	-37.24	311.97	0.51	-36.73
COC1=CC=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550608	0	35	-1.0	-40.77	309.57	-1.16	-41.93
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550609	0	34	-1.0	-40.21	306.11	-1.79	-42.00
COC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025550610	0	43	-1.0	-39.98	371.88	-1.32	-41.30
O=C(CNC(=O)C1=CC=C(Br)O1)NCC1=NC(=O)O[N-]1	REAL300025550611	0	28	-1.0	-36.98	286.01	-1.73	-38.71
COC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1	REAL300025550612	0	39	-1.0	-40.90	339.03	-1.85	-42.75
CCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550613	0	38	-1.0	-38.69	331.35	-0.22	-38.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300025550614	0	39	-1.0	-40.86	362.56	0.94	-39.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300025550614	1	38	-2.0	-83.11	356.11	1.05	-82.06
O=C(CCN1C2=CC=CC=C2SC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550615	0	41	-1.0	-38.73	352.18	5.60	-33.13
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550616	0	40	-1.0	-36.25	338.67	1.88	-34.37
O=C(CCSC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550617	0	31	-1.0	-37.07	300.96	3.45	-33.62
CC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025550618	0	36	-1.0	-38.24	324.23	0.72	-37.52
CC1CCCC(C)N1C(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550619	0	51	-1.0	-42.05	394.48	4.58	-37.47
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025550620	0	37	-1.0	-38.55	325.83	1.70	-36.85
O=C(CCN1C(=O)C2CCCCC2C1=O)NCC1=NC(=O)O[N-]1	REAL300025550621	0	40	-1.0	-40.56	334.78	1.40	-39.16
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2CC=CCC2C1=O	REAL300025550622	0	47	-1.0	-40.29	378.49	4.86	-35.43
CSCC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2CCCCC2C1=O	REAL300025550623	0	44	-1.0	-40.87	371.27	4.05	-36.82
O=C(CCC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550624	0	46	-1.0	-42.38	395.51	0.11	-42.27
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025550625	0	42	-1.0	-41.13	377.53	1.55	-39.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025550625	1	41	-2.0	-89.68	371.08	1.66	-88.02
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCCC1	REAL300025550626	0	45	-1.0	-42.42	361.27	1.33	-41.09
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025550627	0	42	-1.0	-38.63	356.05	5.77	-32.86
COC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025550628	0	43	-1.0	-38.26	364.08	4.40	-33.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NC2=CC=CC=C21	REAL300025550629	0	36	-1.0	-40.32	319.62	3.21	-37.11
CC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550630	0	43	-1.0	-43.45	365.52	-0.70	-44.15
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300025550631	0	43	-1.0	-42.99	352.63	-1.09	-44.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)N2CCCCC2)=C1	REAL300025550632	0	42	-1.0	-39.74	358.96	0.92	-38.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300025550633	0	38	-1.0	-42.67	332.18	3.60	-39.07
O=C(CC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550634	0	27	-1.0	-36.42	267.04	2.35	-34.07
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550635	0	28	-1.0	-37.16	302.59	3.12	-34.04
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550636	0	35	-1.0	-39.04	309.50	-1.16	-40.20
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025550637	0	41	-1.0	-39.99	354.92	0.52	-39.47
O=C(CCC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550638	0	48	-1.0	-41.43	404.26	2.53	-38.90
O=C(COC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550639	0	42	-1.0	-40.03	365.93	4.88	-35.15
O=C(CCSC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550640	0	31	-1.0	-35.48	302.67	3.51	-31.97
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CO1	REAL300025550641	0	41	-1.0	-39.08	356.17	1.87	-37.21
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025550642	0	41	-1.0	-43.38	364.63	4.27	-39.11
O=C(CC1=CC=C(S(=O)(=O)N2CCCCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025550643	0	42	-1.0	-42.60	375.26	0.89	-41.71
CC1CC(C)CN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])C1	REAL300025550644	0	47	-1.0	-37.24	378.56	5.65	-31.59
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300025550645	0	44	-1.0	-43.63	372.57	-1.53	-45.16
O=C(CCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025550646	0	32	-1.0	-39.69	298.81	1.96	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300025550647	0	38	-1.0	-41.94	346.95	6.10	-35.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1Cl	REAL300025550648	0	38	-1.0	-38.98	358.86	6.56	-32.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=C(C(F)(F)F)C=C1	REAL300025550649	0	37	-1.0	-37.90	334.09	5.63	-32.27
CC1=CC=C(SCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025550650	0	37	-1.0	-36.99	324.34	4.20	-32.79
O=C(C=CC1=CC=C(OC(F)F)C=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL300025550651	0	36	-1.0	-42.54	332.26	1.44	-41.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300025550652	0	38	-1.0	-38.85	332.39	4.33	-34.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300025550653	0	38	-1.0	-39.54	332.37	4.33	-35.21
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300025550654	0	41	-1.0	-40.30	347.82	5.89	-34.41
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025550655	0	32	-1.0	-41.21	297.42	-0.36	-41.57
CC1=CC=C(NC(=O)CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550656	0	45	-1.0	-49.95	392.97	4.87	-45.08
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550657	0	41	-1.0	-48.71	358.37	2.09	-46.62
COCCNC(=O)CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550658	0	42	-1.0	-48.85	371.34	0.37	-48.48
CC1SC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=O	REAL300025550659	0	33	-1.0	-36.85	300.55	0.78	-36.07
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550660	0	33	-1.0	-47.73	302.37	3.12	-44.61
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC#N	REAL300025550661	0	37	-1.0	-44.41	335.50	2.15	-42.26
O=C(CCC(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550662	0	38	-1.0	-41.78	331.81	1.52	-40.26
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300025550663	0	30	-1.0	-38.11	296.48	2.59	-35.52
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025550664	0	29	-1.0	-40.65	288.34	-3.45	-44.10
COC1=CC=CC(NC(=O)COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025550665	0	46	-1.0	-48.18	395.85	2.84	-45.34
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025550666	0	43	-1.0	-44.32	363.86	3.95	-40.37
CC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1	REAL300025550667	0	37	-1.0	-38.80	322.90	0.87	-37.93
CC(C)[C@H](NC1=CC=C(C(F)(F)F)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550668	0	41	-1.0	-35.50	366.93	3.89	-31.61
CCOC1=CC=CC=C1C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550669	0	38	-1.0	-42.43	329.28	1.02	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1	REAL300025550670	0	38	-1.0	-38.36	349.13	4.85	-33.51
O=C(C=CC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025550671	0	28	-1.0	-36.49	276.96	2.86	-33.63
CCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550672	0	45	-1.0	-40.50	382.42	0.58	-39.92
CC1=NN(C2=CC=C(Cl)C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C(C)=C1	REAL300025550673	0	36	-1.0	-39.44	332.27	3.47	-35.97
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025550674	0	35	-1.0	-38.44	306.96	1.42	-37.02
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025550675	0	33	-1.0	-42.62	309.42	2.68	-39.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300025550676	0	38	-1.0	-40.35	315.79	3.53	-36.82
O=C(CCOC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025550677	0	31	-1.0	-35.81	296.91	1.98	-33.83
CCN1C2=CC=CC=C2N=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550678	0	37	-1.0	-40.97	336.97	3.72	-37.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL300025550679	0	35	-1.0	-45.55	298.73	2.18	-43.37
CC1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025550680	0	41	-1.0	-40.24	336.80	4.13	-36.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300025550681	0	40	-1.0	-36.46	322.91	4.84	-31.62
CN1C(=O)NC(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025550682	0	32	-1.0	-36.81	290.70	-1.52	-38.33
COC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550683	0	43	-1.0	-44.37	380.62	-2.72	-47.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)C3=CC=CC=C3S(=O)(=O)C2=C1	REAL300025550684	0	37	-1.0	-43.40	341.61	0.82	-42.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300025550685	0	38	-1.0	-37.93	324.63	3.32	-34.61
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025550686	0	44	-1.0	-43.49	387.12	5.12	-38.37
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025550687	0	42	-1.0	-42.17	384.05	6.09	-36.08
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025550688	0	38	-1.0	-40.47	327.76	5.00	-35.47
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300025550689	0	38	-1.0	-39.06	334.14	5.06	-34.00
O=C(CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025550690	0	40	-1.0	-43.40	366.52	-1.53	-44.93
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC(C)O1	REAL300025550691	0	46	-1.0	-41.50	391.82	0.09	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300025550692	0	30	-1.0	-34.28	298.89	3.06	-31.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025550693	0	28	-1.0	-34.97	267.02	0.85	-34.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21	REAL300025550694	0	38	-1.0	-40.81	329.64	3.30	-37.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300025550695	0	36	-1.0	-39.00	327.44	4.15	-34.85
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025550696	0	37	-1.0	-40.06	342.36	4.14	-35.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300025550697	0	39	-1.0	-40.13	343.54	0.16	-39.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NC2=CC=CC=C21	REAL300025550698	0	39	-1.0	-37.20	341.05	5.16	-32.04
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550699	0	39	-1.0	-42.59	336.33	0.22	-42.37
O=C(CCCC1=CNC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025550700	0	37	-1.0	-40.96	320.55	3.37	-37.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2=CC=CC=C2)=C1	REAL300025550701	0	42	-1.0	-42.62	378.64	1.06	-41.56
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550702	0	35	-1.0	-41.73	316.70	-0.96	-42.69
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025550703	0	35	-1.0	-44.72	320.23	-2.18	-46.90
CC1CC(C)CN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025550704	0	48	-1.0	-39.40	392.54	2.21	-37.19
CCCCCC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550705	0	47	-1.0	-38.30	394.75	6.14	-32.16
COC1=CC(OC)=CC(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025550706	0	48	-1.0	-39.94	390.61	0.47	-39.47
CCOC(=O)C1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1	REAL300025550707	0	37	-1.0	-40.64	327.58	1.39	-39.25
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025550708	0	36	-1.0	-40.97	324.03	1.74	-39.23
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550709	0	40	-1.0	-41.94	346.93	1.70	-40.24
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300025550710	0	42	-1.0	-38.52	378.24	4.75	-33.77
CC(=O)C1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550711	0	39	-1.0	-42.34	337.49	2.54	-39.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1	REAL300025550712	0	38	-1.0	-45.75	336.26	3.71	-42.04
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025550713	0	38	-1.0	-37.71	319.50	1.79	-35.92
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCCC(C)C	REAL300025550714	0	44	-1.0	-37.39	362.16	3.27	-34.12
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CC=C1Cl	REAL300025550715	0	42	-1.0	-38.52	374.67	4.76	-33.76
CCCCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550716	0	47	-1.0	-37.34	387.59	4.32	-33.02
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CC=C1	REAL300025550717	0	42	-1.0	-39.01	361.50	4.23	-34.78
O=C(CN1C(=O)COC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550718	0	33	-1.0	-43.40	292.24	0.49	-42.91
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550719	0	35	-1.0	-43.25	323.62	-1.87	-45.12
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025550720	0	44	-1.0	-41.14	369.99	0.24	-40.90
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550721	0	47	-1.0	-41.92	398.11	0.40	-41.52
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025550722	0	45	-1.0	-41.26	371.34	4.37	-36.89
O=C(CCCNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550723	0	38	-1.0	-42.62	349.79	-1.05	-43.67
CSCCC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025550724	0	41	-1.0	-45.83	369.52	4.45	-41.38
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025550725	0	41	-1.0	-40.19	354.15	6.10	-34.09
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025550726	0	42	-1.0	-39.51	354.06	3.00	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2Cl)C1	REAL300025550727	0	38	-1.0	-38.99	339.89	2.83	-36.16
CCC1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025550728	0	41	-1.0	-44.42	344.20	3.78	-40.64
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C(C)=C1	REAL300025550729	0	48	-1.0	-40.82	384.25	1.85	-38.97
CC1=CC(NC(=O)CSCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025550730	0	34	-1.0	-45.60	319.85	0.55	-45.05
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550731	0	40	-1.0	-42.64	359.32	-1.51	-44.15
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025550732	0	30	-1.0	-41.91	291.55	-1.03	-42.94
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550733	0	33	-1.0	-46.24	297.86	-0.74	-46.98
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550734	0	33	-1.0	-48.18	302.57	-3.43	-51.61
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550735	0	37	-1.0	-47.66	341.11	-2.17	-49.83
N#CCCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550736	0	36	-1.0	-47.88	339.58	-1.43	-49.31
CC(C)CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550737	0	45	-1.0	-46.80	384.59	0.56	-46.24
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025550738	0	41	-1.0	-36.12	363.19	3.32	-32.80
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025550739	0	34	-1.0	-38.10	301.36	2.31	-35.79
CC1=CC=C(NC(=O)CSCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550740	0	38	-1.0	-46.66	345.19	2.04	-44.62
O=C(CCC(=O)C1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550741	0	41	-1.0	-41.63	350.12	2.33	-39.30
CCOC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025550742	0	39	-1.0	-40.74	345.89	2.66	-38.08
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550743	0	38	-1.0	-46.37	348.76	1.98	-44.39
CCCOC1=C(Cl)C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550744	0	45	-1.0	-38.34	399.48	4.78	-33.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300025550745	0	35	-1.0	-40.61	317.14	2.49	-38.12
CCCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550746	0	41	-1.0	-36.07	364.58	3.44	-32.63
CC1=CC(NC(=O)C(C)SCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025550747	0	37	-1.0	-44.70	338.40	1.11	-43.59
CC1=CC=C(NC(=O)CSC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550748	0	41	-1.0	-46.49	363.74	2.59	-43.90
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550749	0	31	-2.0	-88.72	288.93	-1.88	-90.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1	REAL300025550750	0	37	-1.0	-48.84	347.92	0.66	-48.18
CC1=C(C)C(C)=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C	REAL300025550751	0	50	-1.0	-41.90	395.77	1.09	-40.81
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550752	0	32	-1.0	-40.37	306.25	-2.50	-42.87
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550753	0	35	-1.0	-41.54	328.30	-1.86	-43.40
CC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL300025550754	0	43	-1.0	-37.22	348.04	2.49	-34.73
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550755	0	41	-1.0	-42.46	356.17	-0.27	-42.73
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025550756	0	44	-1.0	-39.89	364.12	0.21	-39.68
O=C(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025550757	0	32	-1.0	-40.15	331.77	-1.59	-41.74
O=C(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025550758	0	35	-1.0	-41.51	338.58	-1.57	-43.08
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025550759	0	32	-1.0	-42.04	298.07	-2.82	-44.86
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550760	0	35	-1.0	-42.65	322.72	-1.90	-44.55
CCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550761	0	45	-1.0	-39.20	379.49	4.10	-35.10
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025550762	0	33	-1.0	-40.95	310.55	2.82	-38.13
CCC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550763	0	38	-1.0	-38.46	330.26	3.80	-34.66
CCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550764	0	46	-1.0	-41.12	389.66	3.42	-37.70
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025550765	0	36	-1.0	-44.65	330.40	0.84	-43.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(Br)S1	REAL300025550766	0	21	-1.0	-33.02	254.97	1.35	-31.67
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550767	0	41	-1.0	-45.21	341.18	1.81	-43.40
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550768	0	38	-1.0	-39.61	325.90	1.73	-37.88
CC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550769	0	46	-1.0	-49.58	406.35	1.21	-48.37
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025550770	0	48	-1.0	-42.50	367.03	2.11	-40.39
O=C(CCNS(=O)(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025550771	0	32	-1.0	-42.66	313.82	-2.92	-45.58
COC1=CC=CC(N2C(C)=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550772	0	41	-1.0	-44.88	374.59	3.99	-40.89
COC1=CC=CC=C1N1C(C)=NN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550773	0	41	-1.0	-45.33	374.40	4.11	-41.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025550774	0	39	-1.0	-42.68	352.20	0.98	-41.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025550774	1	38	-2.0	-91.44	349.49	1.01	-90.43
O=C(CCNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550775	0	35	-1.0	-42.96	344.04	-0.68	-43.64
O=C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025550776	0	38	-1.0	-42.15	345.80	-0.29	-42.44
CC1CCCCC12NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025550777	0	42	-1.0	-42.67	343.40	0.56	-42.11
O=C(CNS(=O)(=O)C1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025550778	0	32	-1.0	-40.77	321.14	-1.94	-42.71
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025550779	0	31	-2.0	-100.18	307.15	-2.68	-102.86
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025550779	1	32	-1.0	-43.79	308.37	-2.30	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025550780	0	39	-1.0	-40.48	352.37	0.96	-39.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025550780	1	38	-2.0	-90.04	349.66	1.00	-89.04
NC(=O)C1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025550781	0	34	-1.0	-49.16	322.16	-0.51	-49.67
CC(C)CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025550782	0	41	-1.0	-38.01	342.62	2.69	-35.32
CCCCCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025550783	0	44	-1.0	-38.20	371.45	3.73	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1	REAL300025550784	0	41	-1.0	-43.70	344.97	1.14	-42.56
CCOC1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025550785	0	42	-1.0	-46.00	359.47	2.60	-43.40
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025550786	0	41	-1.0	-42.96	358.40	2.84	-40.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300025550787	0	35	-1.0	-43.93	308.22	1.52	-42.41
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550788	0	32	-1.0	-45.04	291.35	-3.31	-48.35
NS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550789	0	29	-1.0	-43.91	291.59	-3.38	-47.29
NS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550790	0	29	-1.0	-45.46	279.87	-3.92	-49.38
CC1=CC=C(S(=O)(=O)NCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025550791	0	44	-1.0	-43.28	381.81	0.08	-43.20
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025550792	0	31	-1.0	-36.75	307.47	3.66	-33.09
O=C(CCCNS(=O)(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550793	0	44	-1.0	-45.07	387.89	-1.96	-47.03
O=C(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550794	0	36	-1.0	-40.26	345.83	-2.77	-43.03
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NS(=O)(=O)C3=CC=CC=C32)CC1	REAL300025550795	0	43	-1.0	-48.08	364.05	0.39	-47.69
CCOC1=C(Cl)C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550796	0	39	-1.0	-38.77	356.13	3.06	-35.71
CCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550797	0	38	-1.0	-36.16	343.08	2.65	-33.51
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCCC(C)C	REAL300025550798	0	44	-1.0	-36.03	382.15	3.95	-32.08
CCCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550799	0	44	-1.0	-35.80	386.44	4.36	-31.44
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550800	0	37	-1.0	-44.22	340.31	-2.18	-46.40
O=C(C=CC1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025550801	0	25	-1.0	-36.37	267.54	2.05	-34.32
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025550802	0	32	-1.0	-41.38	306.25	-2.50	-43.88
CC1=CC=C(C)N1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550803	0	38	-1.0	-36.04	329.08	5.10	-30.94
COC1=CC=C(CCN2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1OC	REAL300025550804	0	49	-1.0	-43.13	410.26	2.59	-40.54
O=C(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550805	0	32	-1.0	-41.32	321.99	-1.32	-42.64
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550805	1	31	-2.0	-93.89	322.26	-1.65	-95.54
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550806	0	42	-1.0	-47.84	377.96	-3.02	-50.86
CC1=CSC(SC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])=N1	REAL300025550807	0	36	-1.0	-39.24	352.08	3.27	-35.97
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550808	0	42	-1.0	-45.17	375.74	-1.68	-46.85
CCC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025550809	0	41	-1.0	-39.64	342.83	3.43	-36.21
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025550810	0	41	-1.0	-40.52	358.60	5.91	-34.61
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025550811	0	50	-1.0	-44.14	378.46	0.78	-43.36
CC1=CC=CC(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)=C1	REAL300025550812	0	38	-1.0	-40.62	331.85	2.36	-38.26
O=C(C=CC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550813	0	28	-1.0	-36.21	276.95	2.86	-33.35
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025550814	0	40	-1.0	-46.14	349.97	0.97	-45.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)NC1=O	REAL300025550815	0	33	-1.0	-56.08	288.83	-0.20	-56.28
NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025550816	0	35	-1.0	-49.63	333.34	-3.41	-53.04
CC1=CC=C2C(=O)N(CC(=O)NCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025550817	0	34	-1.0	-44.73	312.34	1.58	-43.15
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550818	0	38	-1.0	-43.30	332.75	-0.27	-43.57
CNS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550819	0	32	-1.0	-43.52	313.97	-2.16	-45.68
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025550820	0	39	-1.0	-43.67	339.58	-1.09	-44.76
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550821	0	36	-1.0	-41.88	331.55	-1.39	-43.27
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550822	0	32	-1.0	-43.81	310.22	-2.27	-46.08
CN(C)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025550823	0	35	-1.0	-39.94	321.60	-0.73	-40.67
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550824	0	41	-1.0	-41.54	343.87	-1.01	-42.55
CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550825	0	35	-1.0	-42.08	318.74	-1.94	-44.02
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550826	0	38	-1.0	-39.96	335.94	-1.36	-41.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300025550827	0	39	-1.0	-44.15	359.41	-0.81	-44.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CCCO2)=C1	REAL300025550828	0	43	-1.0	-43.81	375.60	-1.67	-45.48
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550829	0	41	-1.0	-39.85	343.82	-0.98	-40.83
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025550830	0	45	-1.0	-39.62	378.53	1.66	-37.96
COC1=CC=C(S(=O)(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550831	0	37	-1.0	-43.18	335.90	-1.14	-44.32
O=C(CCS(=O)(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550832	0	39	-1.0	-44.98	350.90	-1.28	-46.26
CCOC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025550833	0	35	-1.0	-38.18	325.91	3.30	-34.88
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025550834	0	43	-1.0	-44.43	373.36	0.13	-44.30
CNS(=O)(=O)C1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025550835	0	40	-1.0	-44.59	360.16	-1.74	-46.33
C[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550836	0	44	-1.0	-42.33	380.95	-1.98	-44.31
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550837	0	42	-1.0	-38.91	350.11	4.85	-34.06
CN1C=NC2=C1C(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)N2C	REAL300025550838	0	36	-1.0	-48.29	319.63	2.05	-46.24
O=C(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025550839	0	35	-1.0	-41.63	334.59	-1.80	-43.43
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550840	0	39	-1.0	-39.24	332.91	4.27	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1	REAL300025550841	0	38	-1.0	-46.84	336.81	-2.83	-49.67
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550842	0	31	-1.0	-36.71	294.36	3.24	-33.47
CC(C)(C)C1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025550843	0	55	-1.0	-36.93	417.68	5.24	-31.69
CCC1(CC)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025550844	0	38	-1.0	-44.07	322.80	-0.42	-44.49
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1O	REAL300025550845	0	32	-1.0	-36.57	299.16	-0.35	-36.92
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1[O-]	REAL300025550845	1	31	-2.0	-84.91	295.59	0.58	-84.33
CC1=CC=C(C)C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)=C1	REAL300025550846	0	41	-1.0	-40.88	350.59	3.34	-37.54
CCN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CO1	REAL300025550847	0	37	-1.0	-42.86	344.66	3.21	-39.65
CCN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CS1	REAL300025550848	0	37	-1.0	-42.38	349.45	3.93	-38.45
CSCCC(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550849	0	38	-1.0	-38.94	342.27	0.25	-38.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CC=C3)C(=O)C2=C1	REAL300025550850	0	41	-1.0	-37.61	368.71	4.33	-33.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1	REAL300025550851	0	38	-1.0	-39.62	349.46	2.46	-37.16
O=C(CSCC(=O)N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025550852	0	36	-1.0	-45.75	318.54	-0.77	-46.52
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025550853	0	35	-1.0	-41.52	338.62	-1.40	-42.92
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550854	0	43	-1.0	-37.62	347.47	4.56	-33.06
O=C(NCC1=CC=CC=C1)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025550855	0	46	-1.0	-44.75	378.33	1.44	-43.31
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550856	0	42	-1.0	-44.91	376.38	-2.51	-47.42
CC1=NN=C(SCC(=O)NCC2=NC(=O)O[N-]2)N1CC1=CC=CC=C1	REAL300025550857	0	40	-1.0	-43.76	361.04	4.98	-38.78
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550858	0	36	-1.0	-42.40	327.85	1.05	-41.35
CC1=CC=CC(C(=O)NC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550859	0	37	-1.0	-38.64	321.06	1.05	-37.59
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025550860	0	46	-1.0	-41.76	388.86	0.21	-41.55
CC(OC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550861	0	31	-1.0	-36.58	292.60	2.85	-33.73
CC1=CC(Br)=CC(Cl)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550862	0	31	-1.0	-37.15	313.67	3.51	-33.64
O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025550863	0	48	-1.0	-37.02	359.66	2.13	-34.89
CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025550864	0	48	-1.0	-43.31	379.09	1.13	-42.18
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025550865	0	41	-1.0	-39.92	361.88	4.56	-35.36
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025550866	0	38	-1.0	-38.14	358.70	4.43	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)S2)=NC2=CC=CC=C21	REAL300025550867	0	36	-1.0	-37.86	344.48	4.76	-33.10
O=C(COC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550868	0	28	-1.0	-37.27	275.96	2.24	-35.03
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550869	0	38	-1.0	-39.60	328.83	5.03	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2CCCO2)C=C1	REAL300025550870	0	43	-1.0	-40.62	375.63	-1.63	-42.25
CCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550871	0	35	-1.0	-40.20	318.72	-1.93	-42.13
C=CCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550872	0	36	-1.0	-40.02	331.53	-1.38	-41.40
CSC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550873	0	36	-1.0	-39.03	326.27	3.34	-35.69
CC1CCCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550874	0	45	-1.0	-41.08	365.32	1.60	-39.48
O=C(CCNS(=O)(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550875	0	45	-1.0	-42.55	384.62	0.57	-41.98
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025550876	0	45	-1.0	-38.46	397.73	4.53	-33.93
CCCOC1=C(Cl)C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550877	0	42	-1.0	-38.56	377.63	3.86	-34.70
O=C(C=CC1=CC=C(Br)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025550878	0	28	-1.0	-36.92	291.75	3.31	-33.61
CC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550879	0	45	-1.0	-39.27	365.30	1.61	-37.66
O=C(C=CC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025550880	0	28	-1.0	-38.06	273.94	2.75	-35.31
O=C(C=CC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550881	0	28	-1.0	-38.37	286.46	3.16	-35.21
O=C(COC1=CC=C(Br)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025550882	0	28	-1.0	-39.75	282.19	2.30	-37.45
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550883	0	44	-1.0	-37.39	366.44	3.68	-33.71
CCCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550884	0	48	-1.0	-39.10	400.99	4.88	-34.22
O=C(C=CC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025550885	0	30	-1.0	-39.62	290.59	1.96	-37.66
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025550886	0	45	-1.0	-38.69	371.71	6.97	-31.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300025550887	0	37	-1.0	-39.26	352.56	5.77	-33.49
CCC(C)C1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025550888	0	47	-1.0	-44.91	384.72	5.37	-39.54
O=C(CNC(=O)CC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550889	0	40	-1.0	-41.06	347.40	2.35	-38.71
O=C(CCNC(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550890	0	34	-1.0	-42.50	323.51	0.80	-41.70
O=C(CCNS(=O)(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025550891	0	35	-1.0	-42.56	321.89	-1.92	-44.48
COC1=CC=C(C=CC(=O)NC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550892	0	42	-1.0	-39.58	363.61	0.88	-38.70
O=C(COC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550893	0	28	-1.0	-40.06	290.67	2.82	-37.24
CN(C1CCCCC1)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550894	0	48	-1.0	-40.76	395.88	2.33	-38.43
CC1=C(C)C2=C(SCC(=O)NCC3=NC(=O)O[N-]3)N=C(C)N=C2S1	REAL300025550895	0	38	-1.0	-39.29	348.47	2.66	-36.63
CCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550896	0	42	-1.0	-39.30	357.64	3.18	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)C3=CC=CC=C3C2=O)=C1	REAL300025550897	0	41	-1.0	-44.68	368.77	4.31	-40.37
O=C(CCC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025550898	0	30	-1.0	-36.21	288.44	3.15	-33.06
COC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025550899	0	39	-1.0	-41.00	348.46	-0.97	-41.97
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300025550900	0	46	-1.0	-42.88	392.16	-0.15	-43.03
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025550901	0	36	-1.0	-38.81	334.28	2.11	-36.70
CCN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC=C1C	REAL300025550902	0	43	-1.0	-42.71	380.31	5.31	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCS2)C=C1	REAL300025550903	0	33	-1.0	-38.86	307.94	4.11	-34.75
O=C(CSC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550904	0	41	-1.0	-37.74	378.57	6.92	-30.82
CS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550905	0	33	-1.0	-49.56	306.15	-0.76	-50.32
CCN1C(=O)C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025550906	0	36	-1.0	-40.82	315.60	0.66	-40.16
CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025550907	0	42	-1.0	-39.50	357.99	3.30	-36.20
COC1=CC(C=O)=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025550908	0	34	-1.0	-46.07	307.06	1.11	-44.96
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550909	0	41	-1.0	-41.30	354.25	0.46	-40.84
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550910	0	38	-1.0	-41.88	335.97	-1.37	-43.25
CC1=NOC(C)=C1COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550911	0	43	-1.0	-41.55	374.30	3.78	-37.77
O=C(CSCC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025550912	0	31	-1.0	-38.38	306.91	3.61	-34.77
O=C(CSCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550913	0	31	-1.0	-37.89	306.91	3.62	-34.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=CC=C2)C=C1	REAL300025550914	0	38	-1.0	-38.57	342.72	5.95	-32.62
CC1=CC=C(SCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025550915	0	44	-1.0	-39.18	382.63	7.18	-32.00
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(C)C	REAL300025550916	0	45	-1.0	-39.19	377.74	3.86	-35.33
CC1=CC(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025550917	0	35	-1.0	-37.91	318.78	2.97	-34.94
O=C(CCCN1C(=O)OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550918	0	36	-1.0	-46.14	321.74	2.82	-43.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL300025550919	0	35	-1.0	-37.99	309.86	2.37	-35.62
CC(C)CCSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025550920	0	42	-1.0	-37.24	366.72	5.51	-31.73
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025550921	0	37	-1.0	-45.36	333.49	2.13	-43.23
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025550922	0	37	-1.0	-44.61	335.48	0.29	-44.32
O=C(CNC(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550923	0	31	-1.0	-36.96	301.38	0.16	-36.80
O=C(CNC(=O)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025550924	0	31	-1.0	-38.53	296.83	0.05	-38.48
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025550925	0	44	-1.0	-42.48	360.18	1.02	-41.46
O=C(NCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CC=C2F)CC1	REAL300025550926	0	42	-1.0	-42.13	360.17	0.80	-41.33
CC(SC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550927	0	31	-1.0	-35.83	299.58	3.18	-32.65
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025550928	0	36	-1.0	-42.63	311.87	-1.20	-43.83
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1C	REAL300025550929	0	48	-1.0	-43.35	397.98	2.17	-41.18
CC(C)(C)NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025550930	0	41	-1.0	-39.38	359.52	-0.23	-39.61
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025550931	0	45	-1.0	-39.65	378.53	1.66	-37.99
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025550932	0	33	-1.0	-42.66	308.29	0.20	-42.46
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550933	0	35	-1.0	-40.30	317.40	-0.99	-41.29
CN1C=NN=C1SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025550934	0	36	-1.0	-46.87	342.31	4.63	-42.24
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CO1	REAL300025550935	0	38	-1.0	-46.97	335.87	1.99	-44.98
COC1=CC=CC2=C1OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025550936	0	33	-1.0	-53.34	297.22	2.20	-51.14
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025550937	0	41	-1.0	-36.35	321.18	4.19	-32.16
CNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550938	0	32	-1.0	-42.42	297.71	-2.79	-45.21
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550939	0	41	-1.0	-42.93	358.05	-0.36	-43.29
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300025550940	0	42	-1.0	-38.74	355.33	5.75	-32.99
NC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550941	0	36	-1.0	-43.75	309.84	-0.92	-44.67
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025550942	0	45	-1.0	-43.45	377.21	0.62	-42.83
O=C(CCNS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550943	0	44	-1.0	-44.06	384.71	-1.98	-46.04
C=CCC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025550944	0	39	-1.0	-42.03	339.61	3.36	-38.67
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC(C)C	REAL300025550945	0	42	-1.0	-38.58	372.48	3.87	-34.71
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)C	REAL300025550946	0	42	-1.0	-43.03	365.29	-1.52	-44.55
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550947	0	44	-1.0	-43.62	373.91	1.44	-42.18
CC1=CC=C(S(=O)(=O)N2CCCCC2C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550948	0	48	-1.0	-42.93	381.18	2.30	-40.63
CC1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550949	0	44	-1.0	-43.02	361.75	-0.21	-43.23
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)(C)C	REAL300025550950	0	45	-1.0	-42.90	374.79	-1.06	-43.96
CC(SCC(=O)NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N1	REAL300025550951	0	37	-1.0	-44.52	334.68	2.22	-42.30
N#CCCN1C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025550952	0	39	-1.0	-45.56	353.35	5.42	-40.14
O=C(CSCC1=NC(=O)C2=C(N1)SC1=C2CCC1)NCC1=NC(=O)O[N-]1	REAL300025550953	0	40	-1.0	-58.81	371.80	2.26	-56.55
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550954	0	41	-1.0	-42.51	376.47	-0.98	-43.49
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550955	0	40	-1.0	-46.96	364.66	-1.43	-48.39
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550956	0	30	-1.0	-45.86	294.32	-0.90	-46.76
COC1=CC(OC)=C(OC)C=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025550957	0	40	-1.0	-41.95	341.93	0.83	-41.12
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550958	0	38	-1.0	-43.50	334.81	-1.25	-44.75
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300025550959	0	41	-1.0	-44.54	345.48	4.17	-40.37
CC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550960	0	42	-1.0	-46.05	375.47	-0.12	-46.17
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2CCCCC2C1=O	REAL300025550961	0	40	-1.0	-41.55	327.16	2.56	-38.99
CSCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550962	0	43	-1.0	-42.20	386.24	2.91	-39.29
CSCCC(NS(=O)(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550963	0	42	-1.0	-45.31	385.19	0.14	-45.17
CSCCC(NC(=O)C1=CC=CC(C)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550964	0	44	-1.0	-38.41	379.45	2.92	-35.49
COCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550965	0	39	-1.0	-45.46	364.63	-2.31	-47.77
COCCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550966	0	42	-1.0	-43.05	368.18	-2.15	-45.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1Cl	REAL300025550967	0	39	-1.0	-43.45	355.62	0.69	-42.76
O=C(CSC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025550968	0	30	-1.0	-38.80	299.46	1.87	-36.93
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300025550969	0	43	-1.0	-43.62	351.81	2.74	-40.88
CCN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=C(Cl)C=C1	REAL300025550970	0	40	-1.0	-41.65	373.59	5.25	-36.40
O=C(C=CC1=CC(Br)=CC=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL300025550971	0	32	-1.0	-38.83	315.06	2.50	-36.33
CC1=C(C(C)C)C=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025550972	0	42	-1.0	-40.79	351.17	4.55	-36.24
CCC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025550973	0	36	-1.0	-40.21	316.52	3.53	-36.68
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NCC1=NC(=O)O[N-]1	REAL300025550974	0	36	-1.0	-42.70	315.07	4.18	-38.52
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NCC1=NC(=O)O[N-]1	REAL300025550975	0	37	-1.0	-41.22	319.21	4.00	-37.22
O=C(COC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025550976	0	28	-1.0	-38.47	291.81	2.77	-35.70
O=C(COC1=CC=C(F)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025550977	0	28	-1.0	-38.79	281.49	2.32	-36.47
O=C(COC1=CC=C(I)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550978	0	28	-1.0	-37.08	282.45	2.72	-34.36
O=C(CSC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550979	0	28	-1.0	-35.92	285.56	2.81	-33.11
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCCOC1=CC=CC=C1	REAL300025550980	0	49	-1.0	-41.66	413.28	4.94	-36.72
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL300025550981	0	35	-1.0	-41.81	317.18	0.37	-41.44
CC(NC(=O)NC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025550982	0	36	-1.0	-39.27	314.14	-0.34	-39.61
CC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025550983	0	36	-1.0	-41.13	311.99	3.30	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC3=CC=CC=C3C=C2)O1	REAL300025550984	0	41	-1.0	-42.54	363.15	4.76	-37.78
O=C(C=CC1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025550985	0	34	-1.0	-39.70	300.14	1.40	-38.30
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025550986	0	36	-1.0	-54.23	331.94	-1.96	-56.19
CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550987	0	39	-1.0	-39.64	336.14	2.38	-37.26
CCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025550988	0	35	-1.0	-36.34	321.58	1.85	-34.49
CCOC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025550989	0	39	-1.0	-38.47	356.13	3.03	-35.44
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025550990	0	30	-1.0	-38.18	284.69	2.57	-35.61
CC1(C2=CC3=CC=CC=C3C=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025550991	0	45	-1.0	-45.31	386.80	3.04	-42.27
CC1=CN2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL300025550992	0	32	-1.0	-52.34	284.94	1.85	-50.49
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550993	0	45	-1.0	-43.13	374.27	1.72	-41.41
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025550994	0	42	-1.0	-42.75	374.26	2.52	-40.23
O=C(C=CC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550995	0	44	-1.0	-42.45	383.96	-0.20	-42.65
O=C(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025550996	0	42	-1.0	-38.77	368.72	2.41	-36.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1	REAL300025550997	0	38	-1.0	-37.94	359.44	6.47	-31.47
CCN(CC)S(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025550998	0	45	-1.0	-41.59	392.34	1.96	-39.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCOCC2)=CC=C1F	REAL300025550999	0	40	-1.0	-44.38	353.99	-1.31	-45.69
CC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025551000	0	42	-1.0	-41.37	377.64	1.54	-39.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025551000	1	41	-2.0	-90.07	371.08	1.67	-88.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)O1	REAL300025551001	0	31	-1.0	-43.52	293.30	2.92	-40.60
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025551002	0	44	-1.0	-38.93	377.47	0.32	-38.61
COC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551003	0	38	-1.0	-39.81	326.62	1.41	-38.40
CC(C)(C)C1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551004	0	46	-1.0	-38.50	373.28	4.45	-34.05
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551005	0	46	-1.0	-36.39	364.33	2.94	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)CC1	REAL300025551006	0	35	-1.0	-40.33	310.42	1.69	-38.64
CCCCCCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025551007	0	47	-1.0	-38.24	392.95	4.52	-33.72
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551008	0	41	-1.0	-41.29	357.88	0.76	-40.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)N2CCOCC2)=C1	REAL300025551009	0	40	-1.0	-40.10	350.78	-1.47	-41.57
O=C(COC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025551010	0	28	-1.0	-38.44	275.96	2.24	-36.20
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551011	0	36	-1.0	-43.70	306.65	1.25	-42.45
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551012	0	40	-1.0	-47.75	363.16	-1.52	-49.27
CCOC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551013	0	42	-1.0	-42.47	373.25	-1.70	-44.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025551014	0	41	-1.0	-38.90	362.72	4.56	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025551015	0	41	-1.0	-40.22	355.11	3.40	-36.82
O=C(C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551016	0	42	-1.0	-38.90	366.84	5.53	-33.37
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551017	0	38	-1.0	-40.83	336.00	-0.99	-41.82
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551018	0	40	-1.0	-38.77	343.62	2.41	-36.36
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551019	0	45	-1.0	-42.06	392.23	6.92	-35.14
CSCCC(NC(=O)C1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551020	0	41	-1.0	-39.39	370.58	2.76	-36.63
CSCCC(NC(=O)COC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551021	0	45	-1.0	-40.73	391.60	2.71	-38.02
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551022	0	32	-1.0	-40.10	316.58	-2.05	-42.15
COC1=CC=CC=C1C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551023	0	35	-1.0	-42.34	307.42	0.10	-42.24
O=C(CNS(=O)(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551024	0	32	-1.0	-41.21	299.85	-2.57	-43.78
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551025	0	39	-1.0	-47.04	355.91	-3.68	-50.72
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551026	0	34	-1.0	-42.63	318.95	0.69	-41.94
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551027	0	39	-1.0	-43.23	353.80	-0.74	-43.97
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551028	0	35	-1.0	-38.33	334.84	-1.40	-39.73
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551029	0	42	-1.0	-45.20	374.18	-3.03	-48.23
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551030	0	39	-1.0	-39.85	347.57	-2.62	-42.47
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551031	0	38	-1.0	-39.30	339.55	-1.24	-40.54
C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551032	0	38	-1.0	-39.79	356.84	-0.91	-40.70
CCCOC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551033	0	38	-1.0	-36.12	347.35	2.77	-33.35
CC1=CC=C(CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025551034	0	41	-1.0	-39.72	351.42	3.30	-36.42
CCOC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025551035	0	42	-1.0	-39.94	351.27	2.20	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCO2)C=C1	REAL300025551036	0	39	-1.0	-39.84	329.35	1.66	-38.18
COC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551037	0	34	-1.0	-39.12	310.40	2.90	-36.22
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025551038	0	40	-1.0	-38.62	332.29	4.07	-34.55
CCCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025551039	0	52	-1.0	-40.62	432.65	5.02	-35.60
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025551040	0	39	-1.0	-40.69	341.53	4.04	-36.65
CS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551041	0	32	-1.0	-41.11	298.40	-2.33	-43.44
NC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300025551042	0	47	-1.0	-43.47	395.53	0.85	-42.62
O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551043	0	33	-1.0	-51.49	314.10	2.47	-49.02
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551044	0	34	-1.0	-43.05	311.99	1.31	-41.74
CC1=CC=CC(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025551045	0	43	-1.0	-37.78	352.48	2.56	-35.22
CC(C)C(NC(=O)C1=CC=CC=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551046	0	40	-1.0	-38.41	347.35	2.52	-35.89
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025551047	0	36	-1.0	-39.44	312.57	1.33	-38.11
CC(C)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551048	0	40	-1.0	-36.16	332.95	3.39	-32.77
CCCCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551049	0	43	-1.0	-36.22	358.38	4.43	-31.79
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(C)C	REAL300025551050	0	41	-1.0	-37.51	343.20	2.65	-34.86
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551051	0	43	-1.0	-37.16	346.54	2.42	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1	REAL300025551052	0	36	-1.0	-39.57	317.73	4.31	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025551053	0	21	-1.0	-34.76	234.91	0.78	-33.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C(=O)CCC2=O)C=C1	REAL300025551054	0	34	-1.0	-46.04	307.68	1.63	-44.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300025551055	0	34	-1.0	-47.55	307.79	1.62	-45.93
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300025551056	0	38	-1.0	-40.29	330.03	2.62	-37.67
O=C(CCCOC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025551057	0	34	-1.0	-38.91	318.41	2.75	-36.16
CC1=C(C)C2=C(SCC(=O)NCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025551058	0	35	-1.0	-38.96	326.64	2.70	-36.26
O=C(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025551059	0	35	-1.0	-42.94	324.74	-0.99	-43.93
CC1=CC=C(C)C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551060	0	38	-1.0	-38.10	324.69	3.71	-34.39
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025551061	0	32	-1.0	-39.26	289.49	0.53	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025551062	0	38	-1.0	-37.75	332.29	4.34	-33.41
CCCCCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551063	0	48	-1.0	-38.72	403.02	4.96	-33.76
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025551064	0	35	-1.0	-51.05	311.65	0.55	-50.50
CCCC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551065	0	41	-1.0	-38.34	351.76	4.58	-33.76
O=C(CNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551066	0	46	-1.0	-39.65	399.17	3.83	-35.82
CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551067	0	47	-1.0	-36.43	385.91	2.72	-33.71
O=C(C=CC1=CC=CC=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL300025551068	0	32	-1.0	-40.21	293.78	1.88	-38.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Cl	REAL300025551069	0	24	-1.0	-36.37	254.94	2.19	-34.18
O=C(CC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551070	0	27	-1.0	-36.50	276.72	2.67	-33.83
O=C(CN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551071	0	31	-1.0	-45.54	290.95	0.91	-44.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	REAL300025551072	0	40	-1.0	-41.92	348.79	-1.37	-43.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1I	REAL300025551073	0	24	-1.0	-36.78	242.87	2.12	-34.66
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551074	0	41	-1.0	-43.07	370.36	1.28	-41.79
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025551075	0	41	-1.0	-39.61	359.03	0.85	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025551076	0	35	-2.0	-89.62	341.41	0.01	-89.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300025551077	0	42	-1.0	-41.42	357.74	1.06	-40.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300025551078	0	35	-1.0	-38.34	311.54	3.95	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NC2=CC=CC=C21	REAL300025551079	0	39	-1.0	-36.97	351.37	5.61	-31.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025551080	0	35	-1.0	-36.84	309.75	3.92	-32.92
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OCC)=C1OCC	REAL300025551081	0	45	-1.0	-36.56	378.48	2.99	-33.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025551082	0	24	-1.0	-34.53	248.90	2.15	-32.38
O=C(CCCOC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551083	0	34	-1.0	-39.05	329.88	3.19	-35.86
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551084	0	31	-1.0	-37.74	304.07	3.27	-34.47
O=C(CC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551085	0	27	-1.0	-37.75	273.85	2.58	-35.17
O=C(CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025551086	0	30	-1.0	-37.65	284.48	2.72	-34.93
COC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025551087	0	42	-1.0	-40.54	359.06	1.65	-38.89
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025551088	0	32	-1.0	-38.63	304.05	2.37	-36.26
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025551089	0	36	-1.0	-40.41	312.76	0.89	-39.52
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025551090	0	40	-1.0	-39.97	347.46	1.40	-38.57
CC1=NC(COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025551091	0	36	-1.0	-41.64	323.87	-0.15	-41.79
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025551092	0	42	-1.0	-40.01	377.52	1.56	-38.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025551092	1	41	-2.0	-84.98	371.06	1.67	-83.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300025551093	0	39	-1.0	-40.15	356.11	0.88	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025551093	1	38	-2.0	-84.32	349.66	1.00	-83.32
O=C(CSC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551094	0	28	-1.0	-36.86	296.01	3.16	-33.70
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)NCC1=NC(=O)O[N-]1	REAL300025551095	0	34	-1.0	-40.91	318.11	4.66	-36.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2)=C1	REAL300025551096	0	39	-1.0	-40.03	349.33	0.42	-39.61
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551097	0	37	-1.0	-38.88	319.96	5.15	-33.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1	REAL300025551098	0	24	-1.0	-35.57	248.91	2.14	-33.43
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=NNC(=O)C=C1	REAL300025551099	0	33	-1.0	-38.77	297.86	-0.60	-39.37
CN1C2=CC=CC=C2N(C)C1=C(C#N)C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551100	0	45	-1.0	-44.62	385.33	5.17	-39.45
O=C(CSC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025551101	0	34	-1.0	-38.40	310.36	4.46	-33.94
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C=N2	REAL300025551102	0	36	-1.0	-45.78	320.23	1.83	-43.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2F)=C1	REAL300025551103	0	39	-1.0	-43.20	356.03	1.00	-42.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21	REAL300025551104	0	39	-1.0	-38.53	334.65	5.09	-33.44
O=C(CCCN1C(=O)C2=CC=CC3=CC=CC(=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551105	0	43	-1.0	-49.13	371.52	4.22	-44.91
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025551106	0	37	-1.0	-38.98	320.23	3.23	-35.75
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCC1	REAL300025551107	0	43	-1.0	-43.98	368.31	0.02	-43.96
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551108	0	41	-1.0	-38.35	358.05	2.26	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C2=CC=CC=C21	REAL300025551109	0	42	-1.0	-38.93	365.49	4.40	-34.53
CC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025551110	0	43	-1.0	-38.25	357.13	2.82	-35.43
CC(C)C(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551111	0	52	-1.0	-37.02	408.39	4.12	-32.90
CCOC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551112	0	41	-1.0	-39.46	348.47	2.33	-37.13
CCCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551113	0	40	-1.0	-36.18	336.88	3.65	-32.53
O=C(CC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025551114	0	27	-1.0	-36.84	277.67	2.70	-34.14
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025551115	0	37	-1.0	-38.12	316.30	4.99	-33.13
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551116	0	32	-1.0	-37.47	304.09	2.88	-34.59
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551117	0	40	-1.0	-36.00	348.99	2.33	-33.67
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551118	0	43	-1.0	-36.29	368.26	3.43	-32.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CCC3=CC=CC=C3)C(=O)C2=C1	REAL300025551119	0	44	-1.0	-37.56	390.20	5.10	-32.46
O=C(CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551120	0	43	-1.0	-41.24	369.75	6.08	-35.16
O=C(COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)NC1=CC=CC=C1F	REAL300025551121	0	42	-1.0	-52.45	370.20	4.62	-47.83
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025551122	0	32	-1.0	-38.60	285.90	0.51	-38.09
O=C(CNC(=O)COC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551123	0	35	-1.0	-41.50	313.63	0.11	-41.39
CCOC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025551124	0	47	-1.0	-37.76	382.99	2.12	-35.64
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025551125	0	40	-1.0	-44.66	341.28	4.46	-40.20
COC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025551126	0	44	-1.0	-37.94	361.83	1.09	-36.85
CCOC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL300025551127	0	47	-1.0	-41.94	384.90	3.60	-38.34
O=C(CC1=C(C2=CC=CS2)N=C(C2=CC=CC=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025551128	0	40	-1.0	-40.92	374.95	5.14	-35.78
O=C(CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025551129	0	34	-1.0	-39.91	331.84	1.45	-38.46
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025551130	0	35	-1.0	-39.24	336.10	-0.02	-39.26
CC1CN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025551131	0	46	-1.0	-39.92	385.94	0.10	-39.82
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551132	0	39	-1.0	-42.93	347.30	0.81	-42.12
CC1=CC(SCC(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025551133	0	34	-1.0	-36.01	322.23	3.94	-32.07
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551134	0	31	-1.0	-38.63	298.43	1.43	-37.20
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551135	0	36	-1.0	-42.12	322.35	-0.37	-42.49
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CO1	REAL300025551136	0	38	-1.0	-42.66	328.03	3.61	-39.05
CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551137	0	37	-1.0	-37.30	323.81	0.86	-36.44
CC(=O)N1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])CC1	REAL300025551138	0	45	-1.0	-42.94	378.57	3.08	-39.86
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551139	0	37	-1.0	-43.35	318.12	4.43	-38.92
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551140	0	38	-1.0	-37.23	336.56	0.71	-36.52
O=C(CSC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551141	0	35	-1.0	-37.55	309.81	4.10	-33.45
O=C(COC1=CC=C(F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551142	0	28	-1.0	-38.92	277.10	2.21	-36.71
O=C(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025551143	0	35	-1.0	-41.45	325.21	2.06	-39.39
O=C(CCCNC(=O)C1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL300025551144	0	34	-1.0	-41.78	315.06	-0.11	-41.89
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)C1=CC=CC=C1	REAL300025551145	0	37	-1.0	-43.75	321.58	1.32	-42.43
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025551146	0	37	-1.0	-42.10	341.19	1.88	-40.22
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025551147	0	37	-1.0	-41.93	345.75	1.99	-39.94
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025551148	0	40	-1.0	-43.03	345.78	2.11	-40.92
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551149	0	33	-1.0	-38.32	311.05	3.33	-34.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCCS2)C=C1	REAL300025551150	0	36	-1.0	-38.99	325.77	4.60	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2=CC=CS2)=C1	REAL300025551151	0	39	-1.0	-42.47	368.88	0.16	-42.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)NC2=C1	REAL300025551152	0	33	-1.0	-38.07	297.64	0.43	-37.64
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551153	0	31	-2.0	-84.03	295.34	-1.82	-85.85
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551154	0	34	-1.0	-39.58	316.08	1.95	-37.63
NS(=O)(=O)C1=CC=C(N2CCOCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551155	0	42	-1.0	-46.15	360.62	-3.85	-50.00
CCOC1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551156	0	35	-1.0	-37.35	315.60	2.41	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCOC2=C1	REAL300025551157	0	30	-1.0	-38.16	281.53	0.74	-37.42
CC1=C(Cl)C=CC=C1N1C=CN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551158	0	38	-1.0	-40.04	357.25	5.14	-34.90
O=C(CSC1=CC=C(C(F)(F)F)C=N1)NCC1=NC(=O)O[N-]1	REAL300025551159	0	30	-1.0	-36.66	301.48	1.59	-35.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCC2=O)C=C1	REAL300025551160	0	38	-1.0	-45.38	328.57	2.81	-42.57
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551161	0	39	-1.0	-40.86	332.90	-0.81	-41.67
NS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551162	0	35	-1.0	-43.17	321.39	-2.51	-45.68
CNS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551163	0	38	-1.0	-42.51	343.74	-1.29	-43.80
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025551164	0	30	-1.0	-42.54	288.68	1.30	-41.24
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025551165	0	34	-1.0	-38.11	317.07	2.50	-35.61
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300025551166	0	41	-1.0	-40.19	351.61	0.57	-39.62
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551167	0	35	-1.0	-40.66	311.47	4.63	-36.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300025551168	0	36	-1.0	-40.07	330.08	-1.11	-41.18
CC1=CC(C)=CC(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551169	0	41	-1.0	-40.49	368.91	5.42	-35.07
CC1=CC=CC=C1N1C=CN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551170	0	38	-1.0	-40.13	342.46	4.47	-35.66
CC1=CC=CC(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025551171	0	41	-1.0	-40.12	359.57	5.00	-35.12
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551172	0	41	-1.0	-40.03	363.99	5.13	-34.90
CSC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1C1=CC=CC=C1	REAL300025551173	0	35	-1.0	-34.34	318.98	4.52	-29.82
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1Cl	REAL300025551174	0	37	-1.0	-37.28	336.07	3.73	-33.55
COC1=CC=C(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551175	0	39	-1.0	-40.48	355.60	3.39	-37.09
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300025551176	0	41	-1.0	-43.77	353.64	3.31	-40.46
CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025551177	0	31	-1.0	-39.76	296.49	2.93	-36.83
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551178	0	36	-1.0	-42.51	329.24	-0.77	-43.28
O=C(COCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025551179	0	33	-1.0	-44.58	311.89	1.54	-43.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCCOC2=C1	REAL300025551180	0	33	-1.0	-37.15	299.94	1.54	-35.61
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300025551181	0	41	-1.0	-36.89	351.99	2.57	-34.32
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551182	0	44	-1.0	-39.05	349.61	1.98	-37.07
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551183	0	37	-1.0	-39.07	334.48	2.74	-36.33
COC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1OC(F)F	REAL300025551184	0	36	-1.0	-42.51	324.87	1.86	-40.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1Br	REAL300025551185	0	24	-1.0	-34.50	243.78	1.74	-32.76
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC3=C(CCCC3)C2=CC=C1	REAL300025551186	0	38	-1.0	-38.78	313.78	3.68	-35.10
CS(=O)(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025551187	0	36	-1.0	-45.32	319.34	-0.23	-45.55
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025551188	0	34	-1.0	-38.73	294.73	0.09	-38.64
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025551189	0	28	-1.0	-36.47	270.93	1.02	-35.45
CC1CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1S(C)(=O)=O	REAL300025551190	0	39	-1.0	-44.72	334.92	0.59	-44.13
O=C(CC1=CC2=C(C=C1Br)OCCO2)NCC1=NC(=O)O[N-]1	REAL300025551191	0	33	-1.0	-39.72	307.94	1.35	-38.37
CON(C)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025551192	0	36	-1.0	-39.04	338.18	-0.25	-39.29
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1F	REAL300025551193	0	34	-1.0	-43.80	305.28	2.80	-41.00
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025551194	0	36	-1.0	-56.03	323.88	-0.85	-56.88
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025551195	0	31	-1.0	-38.44	307.55	4.17	-34.27
COC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025551196	0	37	-1.0	-44.07	334.06	3.80	-40.27
O=C(CCN1C(=O)COC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551197	0	36	-1.0	-40.81	313.26	0.96	-39.85
CS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551198	0	33	-1.0	-50.03	306.15	-0.76	-50.79
CC1=NN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300025551199	0	42	-1.0	-43.87	373.48	4.36	-39.51
O=C(COC1=CC=C(C2SCCCS2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551200	0	40	-1.0	-40.14	359.32	5.18	-34.96
CS(=O)(=O)N1CCCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025551201	0	39	-1.0	-44.82	331.00	0.36	-44.46
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CC1	REAL300025551202	0	40	-1.0	-42.86	358.28	-1.32	-44.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CS1	REAL300025551203	0	31	-1.0	-37.55	289.14	3.51	-34.04
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1	REAL300025551204	0	41	-1.0	-45.34	347.95	2.94	-42.40
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025551205	0	37	-1.0	-43.49	334.67	1.12	-42.37
O=C(NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CS1	REAL300025551206	0	35	-1.0	-46.94	325.33	2.07	-44.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CCC2=O)C=C1	REAL300025551207	0	37	-1.0	-43.07	329.26	2.20	-40.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300025551208	0	36	-1.0	-43.33	323.92	-0.33	-43.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL300025551209	0	35	-1.0	-47.07	308.31	1.53	-45.54
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025551210	0	40	-1.0	-62.49	345.60	-0.25	-62.74
CC(C)(C)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551211	0	42	-1.0	-36.08	343.35	4.86	-31.22
O=C(CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551212	0	38	-1.0	-46.03	349.91	3.49	-42.54
CCN1C2=C(C=CC=C2)C2=C1C=CC(C=CC(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025551213	0	44	-1.0	-40.73	377.01	6.97	-33.76
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551214	0	40	-1.0	-37.94	354.15	3.05	-34.89
COC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL300025551215	0	44	-1.0	-41.13	359.06	2.31	-38.82
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551216	0	54	-1.0	-36.39	395.96	3.77	-32.62
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551217	0	54	-1.0	-42.01	409.06	2.27	-39.74
COC1=CC=C(C2(C)NC(=O)N(CC(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025551218	0	43	-1.0	-43.69	370.39	0.05	-43.64
CC(=O)N(C1=NC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CS1)C1=CC=CC=C1	REAL300025551219	0	41	-1.0	-49.81	377.11	4.83	-44.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2=O)=C1	REAL300025551220	0	35	-1.0	-49.36	298.41	2.17	-47.19
COC(=O)CCC1=C(C)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1C	REAL300025551221	0	49	-1.0	-42.26	416.85	5.40	-36.86
O=C(CSC1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025551222	0	28	-1.0	-37.24	276.97	2.31	-34.93
CSC1=NC(C)=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025551223	0	38	-1.0	-38.81	334.75	2.06	-36.75
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025551224	0	36	-1.0	-35.24	317.80	3.84	-31.40
CCOC1=CC=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551225	0	41	-1.0	-42.22	348.22	2.95	-39.27
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025551226	0	41	-1.0	-38.89	368.97	6.23	-32.66
O=C(CCCCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025551227	0	38	-1.0	-40.82	341.81	3.52	-37.30
O=C(CC1OC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025551228	0	33	-1.0	-40.17	294.07	-0.21	-40.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=CC=C21	REAL300025551229	0	36	-1.0	-37.17	306.97	3.47	-33.70
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551230	0	41	-1.0	-39.32	343.09	1.30	-38.02
O=C(CCCCC1CCSS1)NCC1=NC(=O)O[N-]1	REAL300025551231	0	35	-1.0	-39.81	314.36	4.28	-35.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCCC2=O)=C1	REAL300025551232	0	35	-1.0	-42.14	322.92	3.20	-38.94
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551233	0	41	-1.0	-44.01	343.21	1.29	-42.72
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025551234	0	34	-1.0	-38.79	314.06	4.33	-34.46
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551235	0	32	-1.0	-40.64	297.68	-2.78	-43.42
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025551236	0	35	-1.0	-39.45	318.05	1.17	-38.28
O=C(CSC1CCS(=O)(=O)C1)NCC1=NC(=O)O[N-]1	REAL300025551237	0	31	-1.0	-44.93	293.72	-1.96	-46.89
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)C=CS1	REAL300025551238	0	31	-1.0	-38.61	287.30	3.66	-34.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=N1	REAL300025551239	0	33	-1.0	-37.48	305.01	2.58	-34.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CS2)=N1	REAL300025551240	0	30	-1.0	-37.92	297.37	1.70	-36.22
CC(C)C1=NC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551241	0	38	-1.0	-36.82	317.34	3.26	-33.56
CN(C)C(=O)COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551242	0	38	-1.0	-55.00	327.15	2.86	-52.14
CC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025551243	0	34	-1.0	-38.81	308.68	4.34	-34.47
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C=C2)=N1	REAL300025551244	0	33	-1.0	-35.79	311.39	2.65	-33.14
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=C(F)C=C1)C1=CC=CS1	REAL300025551245	0	35	-1.0	-36.71	326.14	4.92	-31.79
CC1=CC=C(CN2N=CC3=C(C(=O)NCC4=NC(=O)O[N-]4)C=C(C)N=C32)C=C1	REAL300025551246	0	45	-1.0	-37.65	387.84	5.28	-32.37
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300025551247	0	46	-1.0	-38.32	394.68	4.19	-34.13
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551248	0	33	-1.0	-40.04	298.29	1.27	-38.77
COC1=CC=C(Cl)C=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025551249	0	39	-1.0	-41.72	354.44	2.16	-39.56
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL300025551250	0	35	-1.0	-40.63	324.45	3.02	-37.61
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300025551251	0	47	-1.0	-44.24	383.43	5.15	-39.09
N#CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551252	0	35	-1.0	-44.06	312.89	4.63	-39.43
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025551253	0	30	-1.0	-38.80	278.66	3.08	-35.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1Cl	REAL300025551254	0	24	-1.0	-34.01	256.21	2.11	-31.90
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025551255	0	34	-1.0	-40.68	312.32	2.13	-38.55
CC1=CC(CSC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025551256	0	36	-1.0	-42.66	332.82	2.53	-40.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300025551257	0	41	-1.0	-34.97	352.89	6.96	-28.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2S1	REAL300025551258	0	29	-1.0	-36.72	288.27	3.11	-33.61
O=C(C=CC1=C(Cl)N=C2SC=CN21)NCC1=NC(=O)O[N-]1	REAL300025551259	0	28	-1.0	-42.01	290.48	2.34	-39.67
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=C1C(=O)N1CCCCCC1=N2	REAL300025551260	0	42	-1.0	-43.81	349.86	3.26	-40.55
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025551261	0	34	-1.0	-40.22	314.25	4.09	-36.13
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)NCC1=NC(=O)O[N-]1	REAL300025551262	0	33	-1.0	-43.46	309.22	-0.38	-43.84
COC1=CC=C(C2=C(CCC(=O)NCC3=NC(=O)O[N-]3)C3=CC=CC=C3N2)C=C1	REAL300025551263	0	48	-1.0	-39.90	405.22	5.25	-34.65
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL300025551264	0	35	-1.0	-42.10	315.27	3.49	-38.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1	REAL300025551265	0	31	-1.0	-36.42	316.99	3.75	-32.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL300025551266	0	31	-1.0	-41.93	301.77	3.36	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CN2C=CC=CC2=N1	REAL300025551267	0	41	-1.0	-46.10	356.11	6.08	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300025551268	0	30	-1.0	-40.42	305.11	2.38	-38.04
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1Br	REAL300025551269	0	32	-1.0	-35.22	299.56	0.38	-34.84
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C21	REAL300025551270	0	45	-1.0	-37.37	382.49	5.34	-32.03
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025551271	0	42	-1.0	-36.49	355.48	3.74	-32.75
CCCCN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(OC)C=C1	REAL300025551272	0	51	-1.0	-45.30	405.02	3.97	-41.33
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CN1C1=CC=C(F)C=C1	REAL300025551273	0	31	-1.0	-38.42	285.89	3.55	-34.87
COC1=CC(OC)=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551274	0	36	-1.0	-39.53	314.60	0.84	-38.69
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025551275	0	43	-1.0	-42.57	380.14	1.30	-41.27
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551276	0	39	-1.0	-40.87	354.29	3.24	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=CS1	REAL300025551277	0	33	-1.0	-42.12	310.99	3.60	-38.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300025551278	0	32	-1.0	-41.76	289.89	1.90	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)SC2=C1CCCC2	REAL300025551279	0	39	-1.0	-41.64	336.80	5.39	-36.25
O=C(CN1C=NC2=C(C(C3=CC=CS3)=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551280	0	36	-1.0	-47.04	347.92	4.08	-42.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CC(C1=CC=CC=C1)OC2=O	REAL300025551281	0	41	-1.0	-39.55	356.79	5.75	-33.80
O=C(CC1=CSC(C2=CC=CC(Br)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551282	0	33	-1.0	-43.29	330.73	3.30	-39.99
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300025551283	0	45	-1.0	-40.46	385.14	6.95	-33.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300025551284	0	31	-1.0	-38.28	297.64	3.79	-34.49
CC1CCC2=C(C1)SC1=C2C(=O)N=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025551285	0	45	-1.0	-49.53	384.83	2.89	-46.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1	REAL300025551286	0	32	-1.0	-44.48	297.85	4.67	-39.81
O=C(CN1C=NC2=C(C=C(C3=CC=CC=C3)S2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551287	0	39	-1.0	-47.25	358.91	4.97	-42.28
CC1=NC2=CC=CC=C2C(=O)N1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551288	0	42	-1.0	-42.46	367.34	5.06	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCS(=O)(=O)N=C2C=C1	REAL300025551289	0	32	-1.0	-49.18	293.06	-1.57	-50.75
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025551290	0	42	-1.0	-40.81	360.50	6.13	-34.68
COC1=CC(NC(=O)C2=CC=CO2)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551291	0	43	-1.0	-40.06	370.27	0.78	-39.28
CC1=CC=CC(C(=O)NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551292	0	41	-1.0	-39.38	349.72	4.19	-35.19
COC1=CC=C(C(=O)NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551293	0	42	-1.0	-39.63	358.99	2.89	-36.74
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025551294	0	42	-1.0	-35.91	311.42	0.29	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)C=C1	REAL300025551295	0	28	-1.0	-35.41	277.35	2.50	-32.91
CC1=NC(C2=CC=CC=C2)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025551296	0	33	-1.0	-39.08	304.24	2.41	-36.67
COC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025551297	0	34	-1.0	-39.25	299.67	1.41	-37.84
CC(=O)CCC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025551298	0	41	-1.0	-42.47	357.68	4.26	-38.21
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025551299	0	30	-1.0	-36.87	291.40	2.75	-34.12
CCOC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025551300	0	37	-1.0	-38.91	321.53	2.35	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300025551301	0	41	-1.0	-42.44	359.99	4.74	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSCC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300025551302	0	44	-1.0	-42.34	396.21	7.27	-35.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2CCCCC2)C2=CC=CC=C2O1	REAL300025551303	0	47	-1.0	-41.02	396.20	6.80	-34.22
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025551304	0	34	-1.0	-41.42	303.78	1.19	-40.23
CC(C)OCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025551305	0	40	-1.0	-41.69	345.91	2.91	-38.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(Cl)C=C21	REAL300025551306	0	30	-1.0	-37.01	286.84	2.64	-34.37
O=C(CCC1=CC=C(S(=O)(=O)N2CCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551307	0	45	-1.0	-42.26	389.61	1.65	-40.61
CC(C)(C)OC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025551308	0	44	-1.0	-41.33	349.95	1.95	-39.38
O=C(NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025551309	0	38	-1.0	-37.06	344.07	4.01	-33.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=C(OC(F)F)C=C1	REAL300025551310	0	40	-1.0	-42.90	349.13	3.16	-39.74
COC1=CC(NC(=O)C2=CC=CC=C2)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551311	0	46	-1.0	-39.15	386.05	2.76	-36.39
CCC1=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025551312	0	37	-1.0	-39.00	329.19	4.32	-34.68
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL300025551313	0	37	-1.0	-40.49	325.98	3.73	-36.76
O=C(CCCC1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025551314	0	30	-1.0	-37.26	300.55	3.14	-34.12
CCC(C(=O)NCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025551315	0	38	-1.0	-38.72	353.02	2.75	-35.97
CC(C)(C)OC(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551316	0	40	-1.0	-39.42	333.75	-0.71	-40.13
O=C(CCSC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025551317	0	33	-1.0	-40.86	321.13	2.67	-38.19
CC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025551318	0	36	-1.0	-39.60	308.49	1.86	-37.74
CC1=CC(C)=C2C(=N1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2N1C=CC=C1	REAL300025551319	0	40	-1.0	-41.13	351.64	5.08	-36.05
COC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551320	0	44	-1.0	-47.00	376.74	-0.83	-47.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CC=CS1	REAL300025551321	0	35	-1.0	-40.36	328.45	5.02	-35.34
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551322	0	35	-1.0	-46.81	313.79	1.70	-45.11
CC(C)(C)C1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551323	0	40	-1.0	-38.02	325.84	4.14	-33.88
CC1=NC2=NC(C(F)(F)F)=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551324	0	40	-1.0	-42.29	359.66	4.58	-37.71
CC1(C)NC(=O)N(CCCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551325	0	38	-1.0	-43.95	330.57	-1.16	-45.11
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551326	0	38	-1.0	-40.70	344.84	5.57	-35.13
CC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025551327	0	36	-1.0	-42.56	330.84	3.36	-39.20
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C(C#N)C(=O)N1	REAL300025551328	0	37	-1.0	-47.25	322.18	0.59	-46.66
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(SC=C2)S1	REAL300025551329	0	24	-1.0	-36.94	264.13	2.03	-34.91
CC1=CC=CC(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)=C1	REAL300025551330	0	36	-1.0	-42.52	330.84	3.35	-39.17
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551331	0	35	-1.0	-52.38	319.18	2.73	-49.65
COC1=CC(OC)=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551332	0	38	-1.0	-39.03	326.15	1.14	-37.89
O=C(NCC1=NC(=O)O[N-]1)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL300025551333	0	36	-1.0	-39.62	310.58	4.22	-35.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300025551334	0	35	-1.0	-41.30	307.64	5.05	-36.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NC2=CC=CC=C21	REAL300025551335	0	38	-1.0	-38.28	329.82	3.32	-34.96
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL300025551336	0	37	-1.0	-37.45	315.97	4.90	-32.55
O=C(COC1=CC=C(N2CCCC2=O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551337	0	39	-1.0	-45.71	332.50	2.73	-42.98
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025551338	0	37	-1.0	-41.55	335.82	4.53	-37.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CC=C2)S1	REAL300025551339	0	40	-1.0	-39.79	361.77	5.45	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C2C1	REAL300025551340	0	32	-1.0	-34.82	292.48	2.08	-32.74
CC1=NC(C2=CNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025551341	0	31	-1.0	-41.87	295.46	0.26	-41.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC=C1	REAL300025551342	0	36	-1.0	-39.16	309.85	3.58	-35.58
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551343	0	45	-1.0	-39.25	362.95	3.21	-36.04
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025551344	0	36	-1.0	-49.06	317.54	3.73	-45.33
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300025551345	0	33	-1.0	-35.54	321.72	3.10	-32.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NN1	REAL300025551346	0	31	-1.0	-35.18	303.86	1.72	-33.46
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551347	0	36	-1.0	-45.75	313.12	3.31	-42.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300025551348	0	30	-1.0	-38.08	297.84	3.96	-34.12
O=C(CCC1=NC(C2=CSC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025551349	0	32	-1.0	-39.00	308.25	0.06	-38.94
CC(=O)C1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025551350	0	36	-1.0	-46.85	325.81	3.20	-43.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300025551351	0	33	-1.0	-45.85	319.12	2.35	-43.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL300025551352	0	36	-1.0	-42.30	316.12	4.38	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300025551353	0	38	-2.0	-89.40	353.58	1.35	-88.05
CC1=CC=CC(NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025551354	0	42	-1.0	-39.55	347.26	5.03	-34.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025551355	0	39	-1.0	-38.13	350.63	4.73	-33.40
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025551356	0	42	-2.0	-78.46	378.44	2.14	-76.32
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025551356	1	43	-1.0	-38.89	381.60	2.57	-36.32
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025551357	0	45	-1.0	-44.01	399.28	6.03	-37.98
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551358	0	44	-1.0	-45.37	372.91	2.45	-42.92
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551359	0	40	-1.0	-42.72	341.16	3.80	-38.92
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551360	0	43	-1.0	-38.33	356.00	2.46	-35.87
CCOC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551361	0	35	-1.0	-39.66	310.07	0.21	-39.45
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025551362	0	33	-1.0	-39.26	311.16	3.26	-36.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1	REAL300025551363	0	41	-1.0	-42.27	343.98	4.34	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1	REAL300025551364	0	39	-1.0	-41.81	334.61	1.87	-39.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCCC1	REAL300025551365	0	38	-1.0	-42.77	324.75	3.37	-39.40
CN(C)S(=O)(=O)C1=CC=C(N2CCCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551366	0	47	-1.0	-45.61	392.10	0.69	-44.92
CCS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551367	0	38	-1.0	-40.82	323.23	-1.40	-42.22
O=C(CC1=CSC(N2CCCC2=O)=N1)NCC1=NC(=O)O[N-]1	REAL300025551368	0	34	-1.0	-51.55	313.77	1.18	-50.37
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300025551369	0	42	-1.0	-40.27	365.70	0.94	-39.33
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551370	0	34	-1.0	-42.19	301.47	2.35	-39.84
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551371	0	44	-1.0	-38.72	399.31	5.57	-33.15
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551372	0	47	-1.0	-41.15	399.34	5.56	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2=CC=CC=C2)C1	REAL300025551373	0	43	-1.0	-46.79	352.28	2.68	-44.11
COC1=CC=C(C(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025551374	0	46	-1.0	-51.00	376.67	2.60	-48.40
CON(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551375	0	36	-1.0	-40.04	328.22	-0.97	-41.01
CN(C1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551376	0	48	-1.0	-39.52	395.85	2.33	-37.19
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551377	0	33	-1.0	-40.20	316.97	2.54	-37.66
O=C(CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551378	0	42	-1.0	-39.71	361.36	5.77	-33.94
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551379	0	44	-1.0	-38.42	383.44	6.52	-31.90
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551380	0	40	-1.0	-40.46	346.31	3.50	-36.96
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551381	0	40	-1.0	-41.43	363.83	4.07	-37.36
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551382	0	37	-1.0	-40.69	323.90	3.10	-37.59
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551383	0	37	-1.0	-38.26	346.15	3.51	-34.75
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551384	0	34	-1.0	-39.37	320.71	3.00	-36.37
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551385	0	37	-1.0	-38.13	360.41	3.98	-34.15
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551386	0	44	-1.0	-38.50	383.38	6.50	-32.00
CC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C(C3=CC=CC=C3)=N2)C=C1	REAL300025551387	0	44	-1.0	-39.89	376.98	6.45	-33.44
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551388	0	44	-1.0	-42.26	364.83	4.93	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCCC1=O	REAL300025551389	0	35	-1.0	-45.25	301.25	3.09	-42.16
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300025551390	0	40	-1.0	-46.83	353.28	5.15	-41.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=C1CCCN1C2=O	REAL300025551391	0	36	-1.0	-43.97	313.00	2.36	-41.61
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551392	0	41	-1.0	-41.67	356.81	4.53	-37.14
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551393	0	38	-1.0	-39.92	352.35	4.37	-35.55
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=C1C(=O)N1CCCC1=N2	REAL300025551394	0	36	-1.0	-45.37	318.98	2.18	-43.19
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)NCC1=NC(=O)O[N-]1	REAL300025551395	0	33	-1.0	-42.36	319.75	2.98	-39.38
O=C(CC1=CSC(C2=CC=CN=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551396	0	32	-1.0	-44.47	304.45	0.91	-43.56
O=C(CC1=CSC(C2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551397	0	30	-1.0	-42.91	301.04	1.71	-41.20
CCC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025551398	0	36	-1.0	-41.68	331.27	3.30	-38.38
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)NCC1=NC(=O)O[N-]1	REAL300025551399	0	35	-1.0	-45.63	320.43	1.16	-44.47
CC1=NN(CC(C)C)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551400	0	36	-1.0	-37.72	322.50	1.67	-36.05
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551401	0	37	-1.0	-39.07	330.33	3.17	-35.90
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025551402	0	35	-1.0	-37.50	334.77	1.69	-35.81
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025551403	0	33	-1.0	-38.75	301.01	2.71	-36.04
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300025551404	0	33	-1.0	-41.51	320.15	3.29	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=CN=CC=N2)C1	REAL300025551405	0	37	-1.0	-40.29	307.82	-0.28	-40.57
O=C(CN1C=C(Br)C(=O)NC1=O)NCC1=NC(=O)O[N-]1	REAL300025551406	0	27	-1.0	-43.30	275.24	-1.80	-45.10
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=C1C(=O)N(C)C=N2	REAL300025551407	0	32	-1.0	-45.76	293.53	1.56	-44.20
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551408	0	44	-1.0	-42.02	370.02	-0.20	-42.22
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025551409	0	35	-1.0	-40.53	318.69	-1.50	-42.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=NC=C3)C(=O)C2=C1	REAL300025551410	0	40	-1.0	-38.54	363.59	2.57	-35.97
CC1=CC=C(C)C(N2C(=O)C3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3C2=O)=C1	REAL300025551411	0	44	-1.0	-40.25	387.75	5.55	-34.70
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1C1=CC=CC=C1	REAL300025551412	0	40	-1.0	-41.81	349.87	5.60	-36.21
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551413	0	33	-1.0	-47.32	309.81	-2.60	-49.92
COC(=O)C1=C(CC(=O)NCC2=NC(=O)O[N-]2)NC(C(C)=O)=C1C	REAL300025551414	0	39	-1.0	-43.97	348.08	1.27	-42.70
CCN(CC)S(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551415	0	47	-1.0	-41.84	403.90	2.25	-39.59
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551416	0	44	-1.0	-39.21	369.02	1.50	-37.71
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551417	0	44	-1.0	-39.08	382.13	6.02	-33.06
O=C(CCC(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025551418	0	38	-1.0	-39.83	333.40	4.62	-35.21
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025551419	0	38	-1.0	-39.69	346.88	4.92	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025551420	0	41	-1.0	-40.12	355.60	5.77	-34.35
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1	REAL300025551421	0	41	-1.0	-37.86	372.34	6.29	-31.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300025551422	0	41	-1.0	-37.94	362.02	5.84	-32.10
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551423	0	45	-1.0	-39.97	385.06	5.07	-34.90
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551424	0	44	-1.0	-40.24	377.02	6.45	-33.79
COC1=CC=CC(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551425	0	45	-1.0	-41.18	385.04	5.06	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025551426	0	43	-1.0	-42.48	376.16	4.40	-38.08
CC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551427	0	44	-1.0	-40.80	376.98	6.37	-34.43
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025551428	0	41	-1.0	-42.98	362.42	5.79	-37.19
COC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551429	0	45	-1.0	-43.49	387.58	5.12	-38.37
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551430	0	47	-1.0	-39.95	398.49	7.21	-32.74
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025551431	0	47	-1.0	-40.91	398.34	7.04	-33.87
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551432	0	39	-1.0	-44.22	328.19	4.89	-39.33
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551433	0	41	-1.0	-43.08	326.84	3.66	-39.42
O=C(CN1C2=CC=CC=C2OCCC1=O)NCC1=NC(=O)O[N-]1	REAL300025551434	0	36	-1.0	-42.91	308.71	1.12	-41.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1Br	REAL300025551435	0	24	-1.0	-36.56	243.80	1.74	-34.82
CC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025551436	0	38	-1.0	-39.13	325.74	3.56	-35.57
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(N)=O	REAL300025551437	0	36	-1.0	-46.34	318.33	-1.79	-48.13
O=C(CN1C(=O)C=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551438	0	32	-1.0	-42.97	288.15	0.47	-42.50
O=C(CN1C=NC2=C(C=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551439	0	29	-1.0	-46.26	281.95	1.32	-44.94
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551440	0	37	-1.0	-39.42	330.06	-2.97	-42.39
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025551441	0	37	-1.0	-41.39	330.46	2.12	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025551442	0	41	-1.0	-40.30	372.54	5.40	-34.90
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025551443	0	47	-1.0	-40.78	393.99	6.97	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025551444	0	44	-1.0	-40.70	381.25	6.24	-34.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCCC2)S1	REAL300025551445	0	37	-1.0	-37.32	302.45	3.55	-33.77
CC(C)(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025551446	0	43	-1.0	-36.71	345.96	4.71	-32.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300025551447	0	36	-1.0	-42.54	318.05	4.36	-38.18
CC1=NN(C2=CC=CC=C2Cl)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025551448	0	37	-1.0	-40.20	350.57	4.77	-35.43
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025551449	0	37	-1.0	-38.29	348.78	4.20	-34.09
CC(C)(C)C1=CC=C(OCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025551450	0	50	-1.0	-38.39	408.56	6.65	-31.74
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025551451	0	40	-1.0	-38.72	366.48	4.62	-34.10
CC1=NN(C2=CC=CC(Cl)=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025551452	0	37	-1.0	-40.35	359.05	4.66	-35.69
CC1=NN(CC2=CC=C(F)C=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025551453	0	40	-1.0	-38.86	372.90	4.68	-34.18
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300025551454	0	27	-1.0	-38.72	272.88	2.95	-35.77
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300025551455	0	27	-1.0	-35.87	289.60	3.45	-32.42
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300025551456	0	27	-1.0	-36.17	279.27	3.02	-33.15
CCCCN1N=C(C)C(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025551457	0	40	-1.0	-37.93	362.06	3.45	-34.48
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551458	0	41	-1.0	-38.67	377.88	4.89	-33.78
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551459	0	44	-1.0	-42.75	395.50	5.46	-37.29
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551460	0	40	-1.0	-51.31	353.96	3.81	-47.50
CC(=O)NC(=CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551461	0	35	-1.0	-44.84	304.63	2.27	-42.57
O=C(CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551462	0	45	-1.0	-52.80	396.44	0.41	-52.39
CC1=CC=C(OCC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025551463	0	40	-1.0	-44.54	362.44	2.87	-41.67
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300025551464	0	30	-1.0	-39.61	281.65	1.68	-37.93
CC1=C(C)C2=C(N=CN(CC(=O)NCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025551465	0	35	-1.0	-46.31	319.78	2.74	-43.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CC=CO1	REAL300025551466	0	35	-1.0	-42.18	318.97	4.05	-38.13
COC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025551467	0	41	-1.0	-43.76	368.06	1.90	-41.86
CSC1=CC=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=C1	REAL300025551468	0	39	-1.0	-47.76	340.53	3.03	-44.73
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551469	0	42	-1.0	-44.04	366.18	0.15	-43.89
CS(=O)(=O)NCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551470	0	38	-1.0	-45.84	342.55	-1.35	-47.19
O=C(CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551471	0	42	-1.0	-44.67	363.79	4.41	-40.26
CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551472	0	39	-1.0	-55.95	348.51	1.12	-54.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1	REAL300025551473	0	44	-1.0	-36.78	365.63	3.77	-33.01
CC1=C(C)C=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025551474	0	36	-1.0	-40.94	312.66	3.31	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300025551475	0	35	-1.0	-39.51	315.13	4.82	-34.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300025551476	0	33	-1.0	-39.24	306.49	2.99	-36.25
CSC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)N1C1=CC=C(F)C=C1	REAL300025551477	0	35	-1.0	-35.81	329.52	4.10	-31.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300025551478	0	30	-1.0	-41.19	294.96	-1.01	-42.20
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025551479	0	33	-1.0	-41.30	299.28	0.32	-40.98
O=C(CCCC1=NC(=O)C2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025551480	0	38	-1.0	-59.21	333.15	1.33	-57.88
CS(=O)(=O)NCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025551481	0	35	-1.0	-44.53	335.13	-2.21	-46.74
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551482	0	39	-1.0	-42.55	326.13	-0.22	-42.77
O=C(CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551483	0	43	-1.0	-45.91	361.98	1.54	-44.37
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551484	0	39	-1.0	-43.97	340.91	0.78	-43.19
CC1=CC=C(C2(C)NC(=O)N(CC(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025551485	0	42	-1.0	-43.11	362.31	1.41	-41.70
CC1(C2CC2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551486	0	36	-1.0	-42.88	315.46	-0.31	-43.19
O=C(CC1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)NCC1=NC(=O)O[N-]1	REAL300025551487	0	33	-1.0	-43.67	332.13	3.87	-39.80
COC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C(OC)=C1	REAL300025551488	0	43	-1.0	-45.85	367.12	0.96	-44.89
COC1=CC(C#N)=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551489	0	33	-1.0	-42.49	304.70	1.77	-40.72
CC1=CC=CC2=C1N=CN(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551490	0	35	-1.0	-46.03	311.55	3.06	-42.97
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300025551491	0	41	-1.0	-42.52	355.44	6.54	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)SC2=C1CCSC2	REAL300025551492	0	37	-1.0	-40.29	336.47	5.06	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300025551493	0	35	-1.0	-36.72	316.14	3.97	-32.75
CC1=NC(COC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025551494	0	37	-1.0	-39.61	337.42	2.14	-37.47
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551495	0	41	-1.0	-44.10	356.28	-1.99	-46.09
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551496	0	36	-1.0	-37.24	309.17	3.57	-33.67
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551497	0	44	-1.0	-43.67	370.18	4.56	-39.11
O=C(CCN1N=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551498	0	34	-1.0	-42.87	308.66	-0.13	-43.00
O=C(CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551499	0	37	-1.0	-43.13	357.77	2.71	-40.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(COC2=CC=C(Cl)C=C2)=N1	REAL300025551500	0	37	-1.0	-37.14	353.85	2.63	-34.51
O=C(CC1=COC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551501	0	33	-1.0	-44.68	301.59	0.33	-44.35
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025551502	0	33	-1.0	-43.75	302.76	2.63	-41.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2CCS(=O)(=O)N=C12	REAL300025551503	0	32	-1.0	-66.32	290.70	-1.19	-67.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3=CC=CC=C3)C(=O)NC2=C1	REAL300025551504	0	40	-1.0	-40.82	356.74	2.97	-37.85
CC1=NC(C2=CC=CS2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551505	0	33	-1.0	-36.45	301.87	2.61	-33.84
CC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025551506	0	35	-1.0	-46.36	300.05	2.10	-44.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300025551507	0	36	-1.0	-51.93	317.48	-0.44	-52.37
O=C(CN1N=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551508	0	31	-1.0	-45.78	287.63	-0.65	-46.43
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025551509	0	37	-1.0	-41.29	328.29	2.54	-38.75
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1C1=NC2=CC=CC=C2S1	REAL300025551510	0	34	-1.0	-47.29	319.87	0.10	-47.19
COC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025551511	0	37	-1.0	-37.46	334.42	1.89	-35.57
NS(=O)(=O)C1=CC=C(NCCC(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025551512	0	39	-1.0	-44.79	360.45	-3.48	-48.27
O=C(CCNC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025551513	0	37	-1.0	-38.14	342.40	2.55	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CS2)C1	REAL300025551514	0	39	-1.0	-42.08	350.76	-0.09	-42.17
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL300025551515	0	44	-1.0	-40.10	388.19	6.07	-34.03
CSCC1=NC2=CC=CC=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551516	0	37	-1.0	-43.74	337.59	3.60	-40.14
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)C=N2	REAL300025551517	0	39	-1.0	-44.07	341.25	2.38	-41.69
CC1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551518	0	42	-1.0	-43.58	342.14	0.05	-43.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=CC=C2S1	REAL300025551519	0	27	-1.0	-38.31	276.10	2.92	-35.39
CCCN1C(=O)N(CCC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025551520	0	43	-1.0	-43.54	369.67	4.63	-38.91
CC1=CC=C(C2=NN(CC(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025551521	0	35	-1.0	-42.54	318.84	1.41	-41.13
O=C(CCC1=NC(C2=CC=CS2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025551522	0	32	-1.0	-39.41	308.95	0.18	-39.23
NC(=O)COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551523	0	36	-1.0	-45.75	323.66	-0.34	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300025551524	0	38	-1.0	-38.71	350.24	4.96	-33.75
CCN(CC)S(=O)(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C=C1	REAL300025551525	0	44	-1.0	-48.26	388.57	0.08	-48.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300025551526	0	31	-1.0	-37.84	307.97	4.25	-33.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C3OCCOC3=C2)S1	REAL300025551527	0	37	-1.0	-42.55	335.71	2.88	-39.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NN1C1=CC=CC=C1	REAL300025551528	0	41	-1.0	-33.41	369.66	7.47	-25.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)S1	REAL300025551529	0	31	-1.0	-38.83	291.25	3.73	-35.10
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551530	0	33	-1.0	-44.36	315.85	2.75	-41.61
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551531	0	33	-1.0	-40.74	326.12	3.20	-37.54
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C1C(=O)CC(C)(C)C2	REAL300025551532	0	40	-1.0	-40.75	327.23	1.98	-38.77
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025551533	0	40	-1.0	-38.85	346.07	2.42	-36.43
CCC1=C(C(=O)OC)C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025551534	0	37	-1.0	-38.35	325.63	1.52	-36.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300025551535	0	38	-1.0	-38.48	329.83	4.11	-34.37
O=C(CC1=CSC(C2=CC=CC=N2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551536	0	32	-1.0	-48.22	304.81	0.82	-47.40
CC1=CC=C(C2=NN=C(C3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3)O2)C=C1	REAL300025551537	0	42	-1.0	-39.05	374.72	1.43	-37.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300025551538	0	39	-1.0	-43.42	346.51	3.38	-40.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1F	REAL300025551539	0	24	-1.0	-35.92	246.96	1.75	-34.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL300025551540	0	35	-1.0	-39.54	305.33	5.16	-34.38
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551541	0	39	-1.0	-43.22	337.32	2.77	-40.45
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1[N+](=O)[O-]	REAL300025551542	0	38	-1.0	-63.25	339.65	4.74	-58.51
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025551543	0	39	-1.0	-52.78	356.59	4.76	-48.02
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1C(F)(F)F	REAL300025551544	0	39	-1.0	-55.08	350.02	5.17	-49.91
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025551545	0	36	-1.0	-50.54	328.56	3.93	-46.61
O=C(CC1=CSC(NC(=O)C2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551546	0	34	-1.0	-43.19	333.34	0.99	-42.20
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551547	0	34	-1.0	-44.26	325.45	-0.01	-44.27
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025551548	0	26	-1.0	-41.35	268.76	-5.04	-46.39
NC(=O)CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551549	0	32	-1.0	-48.97	294.32	-1.04	-50.01
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(N)=O	REAL300025551550	0	40	-1.0	-48.46	352.87	-0.58	-49.04
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C(Br)C=C1	REAL300025551551	0	38	-1.0	-44.64	340.39	3.28	-41.36
COC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551552	0	40	-1.0	-43.23	358.58	-3.36	-46.59
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300025551553	0	30	-1.0	-40.69	294.79	1.93	-38.76
COC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025551554	0	38	-1.0	-42.39	347.03	1.07	-41.32
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NCC1=NC(=O)O[N-]1	REAL300025551555	0	39	-1.0	-50.90	331.96	2.73	-48.17
O=C(CCCNS(=O)(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551556	0	48	-1.0	-43.00	406.12	1.37	-41.63
CC1=NC(COC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025551557	0	37	-1.0	-42.21	335.19	3.34	-38.87
CCOC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551558	0	37	-1.0	-39.31	325.89	2.88	-36.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2)O1	REAL300025551559	0	40	-1.0	-45.64	352.34	4.18	-41.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CSC=N1	REAL300025551560	0	34	-1.0	-41.81	313.24	2.63	-39.18
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C(N=CN(C)C2=O)O1	REAL300025551561	0	32	-1.0	-53.41	294.79	-0.64	-54.05
CC(C)NC(=O)NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551562	0	39	-1.0	-39.15	330.01	0.68	-38.47
CC1=CC=C(C2=CN=C(C3=CC=CC=C3C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025551563	0	43	-1.0	-45.64	373.70	4.86	-40.78
COC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025551564	0	34	-1.0	-41.42	317.82	1.17	-40.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300025551565	0	41	-1.0	-40.01	365.33	7.14	-32.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300025551566	0	30	-1.0	-36.18	283.73	2.07	-34.11
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CC=C1	REAL300025551567	0	41	-1.0	-41.93	341.81	5.29	-36.64
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(N)(=O)=O	REAL300025551568	0	32	-1.0	-44.06	290.70	-3.24	-47.30
CC1=NC(CSCC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025551569	0	30	-1.0	-40.51	296.76	0.78	-39.73
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551570	0	34	-1.0	-43.14	324.52	-1.45	-44.59
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC(N)=O	REAL300025551571	0	40	-1.0	-43.96	351.50	-1.96	-45.92
O=C(CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551572	0	43	-1.0	-41.87	370.40	6.03	-35.84
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025551573	0	28	-1.0	-35.55	289.12	3.28	-32.27
O=C(CSC1=NC2=CC=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL300025551574	0	30	-1.0	-40.68	289.75	-0.84	-41.52
CCOC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025551575	0	39	-1.0	-39.66	336.14	2.38	-37.28
O=C(NCC1=NC(=O)O[N-]1)C1=C(CS(=O)(=O)C2=CC=CC=C2)C=CO1	REAL300025551576	0	37	-1.0	-48.08	343.24	0.55	-47.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=CC=C1Cl	REAL300025551577	0	38	-1.0	-40.68	342.13	6.05	-34.63
O=C(CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551578	0	45	-1.0	-42.72	382.86	1.72	-41.00
O=C(COC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551579	0	28	-1.0	-38.42	287.43	2.67	-35.75
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025551580	0	36	-1.0	-36.94	312.91	0.20	-36.74
O=C(COC1=CC=CC=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551581	0	38	-1.0	-40.66	333.40	5.31	-35.35
CC(C)C1=CC=C(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551582	0	44	-1.0	-39.89	386.30	6.03	-33.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCOCC2)C=CS1	REAL300025551583	0	37	-1.0	-47.66	332.34	-1.41	-49.07
COC1=CC2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025551584	0	36	-1.0	-37.94	308.11	1.41	-36.53
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025551585	0	39	-1.0	-41.80	337.66	0.85	-40.95
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC(F)(F)F	REAL300025551586	0	34	-1.0	-41.70	302.36	2.75	-38.95
O=C(CN1N=C(C2=CC=CS2)OC1=O)NCC1=NC(=O)O[N-]1	REAL300025551587	0	30	-1.0	-43.60	300.19	-1.38	-44.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1	REAL300025551588	0	41	-1.0	-44.01	358.26	4.86	-39.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1	REAL300025551589	0	35	-1.0	-40.31	338.04	3.77	-36.54
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551590	0	37	-1.0	-38.25	315.59	-0.22	-38.47
O=C(CC1=CC=C(S(=O)(=O)N2CCCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025551591	0	39	-1.0	-43.50	360.08	0.04	-43.46
N#CC1=CC=C(CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551592	0	39	-1.0	-42.30	359.08	6.33	-35.97
CC1=CC=C(S(=O)(=O)NC(CC(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551593	0	47	-1.0	-38.58	397.10	1.06	-37.52
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551594	0	46	-1.0	-43.41	378.34	2.49	-40.92
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025551595	0	37	-1.0	-38.98	327.40	4.41	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NC2=CC=CC=C21	REAL300025551596	0	39	-1.0	-38.20	346.74	6.02	-32.18
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551597	0	35	-1.0	-42.94	329.12	-0.44	-43.38
CC1=CSC(SCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025551598	0	37	-1.0	-40.74	350.67	3.61	-37.13
O=C(NCC1=NC(=O)O[N-]1)C1CSC2(C3=CC=C(F)C=C3)CCC(=O)N12	REAL300025551599	0	40	-1.0	-42.92	349.38	4.69	-38.23
CC1=CC=C(C(C)C)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551600	0	40	-1.0	-38.85	334.69	4.25	-34.60
O=C(CC1=CC(Cl)=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551601	0	33	-1.0	-40.39	306.22	1.42	-38.97
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025551602	0	44	-1.0	-40.11	339.92	4.64	-35.47
COC1=CC2=C(C=C1OC)C(=O)N(CCCC(=O)NCC1=NC(=O)O[N-]1)C=N2	REAL300025551603	0	46	-1.0	-48.77	392.43	2.72	-46.05
CNS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551604	0	36	-1.0	-42.44	332.20	-1.59	-44.03
CCOC(=O)C1=C(C)N(CC)C(C)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551605	0	47	-1.0	-46.96	403.95	5.41	-41.55
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300025551606	0	34	-1.0	-39.81	322.00	3.09	-36.72
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551607	0	40	-1.0	-46.10	335.97	-1.47	-47.57
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCC1=NC(=O)O[N-]1	REAL300025551608	0	41	-1.0	-47.94	347.33	-0.64	-48.58
CC1OC2=CC=CC=C2N(CCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551609	0	39	-1.0	-40.49	333.59	1.64	-38.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300025551610	0	36	-1.0	-37.88	330.04	6.22	-31.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(C(F)(F)F)C=N2)C=C1	REAL300025551611	0	37	-1.0	-37.94	346.84	2.42	-35.52
COCC1=NC(OC)=C2C(C)=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL300025551612	0	39	-1.0	-39.25	349.60	-1.37	-40.62
CS(=O)(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551613	0	35	-1.0	-42.36	291.51	-1.50	-43.86
CC1=CC=C(NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551614	0	39	-1.0	-39.14	332.91	4.36	-34.78
C=CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025551615	0	39	-1.0	-36.56	335.74	2.31	-34.25
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551616	0	36	-1.0	-41.39	317.90	0.08	-41.31
CCN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC(C)=C1	REAL300025551617	0	43	-1.0	-43.24	378.42	5.41	-37.83
COC1=CC=C(C)C=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025551618	0	42	-1.0	-42.54	359.12	2.32	-40.22
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300025551619	0	30	-1.0	-41.85	288.39	1.86	-39.99
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300025551620	0	33	-1.0	-37.10	321.73	3.09	-34.01
O=C(CC1=CSC(C2=CSC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551621	0	30	-1.0	-41.59	300.44	1.61	-39.98
CN1C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551622	0	25	-1.0	-37.18	248.06	1.12	-36.06
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300025551623	0	41	-1.0	-43.01	353.45	4.91	-38.10
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551624	0	40	-1.0	-43.76	347.76	2.26	-41.50
O=C(NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300025551625	0	41	-1.0	-40.29	359.06	3.62	-36.67
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OC(C)C2	REAL300025551626	0	36	-1.0	-38.55	307.45	0.94	-37.61
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025551627	0	47	-1.0	-42.06	363.20	1.80	-40.26
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025551628	0	49	-1.0	-37.88	371.48	3.78	-34.10
O=C(CSC1=NN=C(C2CC2)N1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551629	0	44	-1.0	-43.83	396.00	6.61	-37.22
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551630	0	35	-1.0	-44.10	321.20	-0.88	-44.98
O=C(CNC(=O)C1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025551631	0	31	-1.0	-38.48	301.39	0.15	-38.33
COC1=CC=C(SCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551632	0	35	-1.0	-37.04	315.42	2.29	-34.75
CC(C)[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551633	0	42	-1.0	-46.53	360.59	-0.50	-47.03
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300025551634	0	41	-1.0	-44.03	343.32	2.86	-41.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC2=CC=C(F)C=C2)=N1	REAL300025551635	0	36	-1.0	-37.46	335.05	3.37	-34.09
O=C(C=CC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025551636	0	28	-1.0	-36.85	286.64	3.19	-33.66
CC1=NC(C2=CC=CC(Br)=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551637	0	36	-1.0	-36.04	330.48	4.19	-31.85
O=C(CC1=CC(F)=CC2=C1OCOC2)NCC1=NC(=O)O[N-]1	REAL300025551638	0	33	-1.0	-40.70	295.47	0.92	-39.78
O=C(CCN1C=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551639	0	35	-1.0	-44.02	312.43	2.69	-41.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NS(=O)(=O)C3=CC=CC=C32)C=C1	REAL300025551640	0	40	-1.0	-53.96	362.43	1.06	-52.90
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)NCC1=NC(=O)O[N-]1)=C2C	REAL300025551641	0	42	-1.0	-47.65	357.35	3.74	-43.91
CC1=CC=CC2=C1N=CN(CCC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551642	0	38	-1.0	-43.98	332.59	3.52	-40.46
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL300025551643	0	38	-1.0	-37.05	324.45	2.43	-34.62
COC1=CC=C(N2C(C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025551644	0	42	-1.0	-40.47	357.21	4.28	-36.19
CN1C=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551645	0	30	-1.0	-45.10	283.05	-4.64	-49.74
CSC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551646	0	30	-1.0	-44.59	288.01	3.41	-41.18
O=C(CC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551647	0	30	-1.0	-36.80	284.48	2.73	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCCC2)C=CS1	REAL300025551648	0	39	-1.0	-47.45	340.28	1.01	-46.44
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025551649	0	32	-1.0	-39.57	301.09	2.11	-37.46
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1	REAL300025551650	0	44	-1.0	-45.31	358.16	4.93	-40.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1	REAL300025551651	0	37	-1.0	-47.61	327.89	1.31	-46.30
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551652	0	41	-1.0	-40.52	359.61	3.83	-36.69
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551653	0	43	-1.0	-43.74	365.23	0.44	-43.30
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300025551654	0	34	-1.0	-43.18	316.19	1.89	-41.29
CC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025551655	0	37	-1.0	-38.87	332.04	3.86	-35.01
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300025551656	0	33	-1.0	-37.73	307.52	1.66	-36.07
COC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025551657	0	36	-1.0	-38.20	308.05	1.40	-36.80
O=C(COC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551658	0	45	-1.0	-44.53	371.47	3.79	-40.74
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025551659	0	32	-1.0	-42.72	303.38	-2.92	-45.64
CC1CN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)CC(C)O1	REAL300025551660	0	42	-1.0	-38.29	345.14	0.73	-37.56
O=C(CN1C=C(Br)C=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025551661	0	27	-1.0	-42.59	271.21	0.93	-41.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300025551662	0	41	-1.0	-41.62	369.18	3.76	-37.86
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551663	0	32	-1.0	-40.98	308.05	-2.95	-43.93
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025551664	0	34	-1.0	-42.97	313.39	-0.71	-43.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300025551665	0	31	-1.0	-35.68	299.30	1.60	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300025551666	0	31	-1.0	-37.57	291.96	1.75	-35.82
CCOC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025551667	0	37	-1.0	-41.15	339.67	2.09	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300025551668	0	36	-1.0	-42.98	329.72	-1.76	-44.74
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551669	0	39	-1.0	-42.85	344.68	2.83	-40.02
COC1=CC=C(C(=O)NCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551670	0	41	-1.0	-42.22	353.13	0.28	-41.94
O=C(CCOC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551671	0	31	-1.0	-35.46	296.91	1.98	-33.48
COC1=CC=C2OCC(C(=O)NCC3=NC(=O)O[N-]3)CC2=C1	REAL300025551672	0	36	-1.0	-36.99	305.27	0.86	-36.13
O=C(CNS(=O)(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025551673	0	29	-1.0	-40.75	291.78	-3.56	-44.31
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551674	0	45	-1.0	-44.84	369.16	2.95	-41.89
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025551675	0	38	-1.0	-40.73	329.29	1.28	-39.45
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)NCC1=NC(=O)O[N-]1	REAL300025551676	0	34	-1.0	-44.36	327.26	3.54	-40.82
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=N1	REAL300025551677	0	30	-1.0	-45.39	294.19	1.40	-43.99
CCOC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551678	0	35	-1.0	-36.30	325.85	1.97	-34.33
O=C(CSC1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551679	0	34	-1.0	-39.79	308.76	1.33	-38.46
COC1=CC=C(Br)C=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551680	0	32	-1.0	-39.27	305.30	2.23	-37.04
O=C(CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025551681	0	41	-1.0	-43.69	367.86	0.36	-43.33
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3	REAL300025551682	0	33	-1.0	-38.77	317.34	2.07	-36.70
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1	REAL300025551683	0	37	-1.0	-39.14	338.63	4.58	-34.56
CCCN1C2=CC=C(OC)C=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025551684	0	44	-1.0	-46.02	371.21	4.10	-41.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCOCC2)=CC=N1	REAL300025551685	0	36	-1.0	-40.57	302.68	-1.84	-42.41
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025551686	0	27	-1.0	-42.60	280.01	0.89	-41.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300025551687	0	38	-1.0	-38.11	325.21	4.45	-33.66
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300025551688	0	36	-1.0	-37.27	324.11	2.07	-35.20
O=C(CNS(=O)(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551689	0	32	-1.0	-40.02	321.14	-1.94	-41.96
N#CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551690	0	33	-1.0	-42.51	306.29	2.26	-40.25
CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025551691	0	43	-1.0	-39.53	374.53	4.22	-35.31
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300025551692	0	35	-1.0	-40.82	323.43	3.95	-36.87
CCN1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025551693	0	37	-1.0	-46.15	327.15	3.41	-42.74
CC1=NC(SCC(=O)NCC2=NC(=O)O[N-]2)=C(C#N)C(C)=C1C	REAL300025551694	0	37	-1.0	-41.50	335.71	2.52	-38.98
NS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551695	0	33	-1.0	-43.33	309.84	-2.81	-46.14
O=C(N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025551696	0	48	-1.0	-37.64	408.85	4.11	-33.53
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(S(N)(=O)=O)=C1C	REAL300025551697	0	35	-1.0	-43.70	308.00	-2.75	-46.45
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025551698	0	39	-1.0	-39.86	345.06	3.53	-36.33
COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551699	0	45	-1.0	-41.38	385.37	2.69	-38.69
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551700	0	35	-1.0	-39.40	318.11	-1.92	-41.32
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025551701	0	36	-1.0	-43.84	317.94	-2.86	-46.70
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551702	0	41	-1.0	-39.89	358.54	-0.45	-40.34
O=C(NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C1=CSC=C1	REAL300025551703	0	35	-1.0	-38.79	318.69	2.41	-36.38
CSC1=NC(C2CC2)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C#N	REAL300025551704	0	35	-1.0	-37.62	325.03	2.71	-34.91
COCCOC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025551705	0	41	-1.0	-43.47	361.91	1.84	-41.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=C1CCCCCN1C2=O	REAL300025551706	0	42	-1.0	-42.62	343.92	3.45	-39.17
O=C(CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551707	0	44	-1.0	-43.94	380.32	4.58	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025551708	0	40	-1.0	-41.55	350.50	3.95	-37.60
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551709	0	47	-1.0	-40.80	402.66	6.91	-33.89
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025551710	0	45	-1.0	-38.91	388.21	-1.20	-40.11
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025551711	0	41	-1.0	-37.48	344.95	2.89	-34.59
O=C(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025551712	0	41	-1.0	-43.04	362.68	-2.63	-45.67
CC(C)N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551713	0	41	-1.0	-42.56	367.58	0.94	-41.62
CC1=C(C)C2=C(NC(CSC(C)C(=O)NCC3=NC(=O)O[N-]3)=NC2=O)S1	REAL300025551714	0	42	-1.0	-56.99	381.10	2.14	-54.85
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025551715	0	31	-1.0	-37.16	294.37	3.24	-33.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)S1	REAL300025551716	0	33	-1.0	-39.84	327.09	3.39	-36.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2)C=C1	REAL300025551717	0	39	-1.0	-40.88	362.54	0.95	-39.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300025551717	1	38	-2.0	-78.82	356.09	1.07	-77.75
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551718	0	42	-1.0	-40.00	368.05	1.72	-38.28
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551718	1	41	-2.0	-84.34	369.57	1.77	-82.57
O=C(CCCSC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551719	0	34	-1.0	-37.48	324.17	4.28	-33.20
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300025551720	0	35	-1.0	-41.83	314.70	2.34	-39.49
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551721	0	40	-1.0	-38.34	367.62	4.19	-34.15
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1	REAL300025551722	0	38	-1.0	-58.76	333.32	-1.13	-59.89
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551723	0	33	-1.0	-46.74	300.54	2.34	-44.40
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025551724	0	39	-1.0	-38.87	333.81	2.00	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300025551725	0	38	-1.0	-44.11	336.03	4.09	-40.02
CC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C=NN(C(C)C)C3=N2)S1	REAL300025551726	0	45	-1.0	-37.82	397.17	5.20	-32.62
CC1OC2=CC=CC=C2N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025551727	0	36	-1.0	-43.18	312.52	1.18	-42.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CO2)=C1	REAL300025551728	0	35	-1.0	-45.42	326.22	0.88	-44.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NN1C1=CC=CC=C1	REAL300025551729	0	38	-1.0	-35.55	337.04	4.93	-30.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551730	0	34	-2.0	-89.23	310.32	-1.20	-90.43
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551731	0	39	-1.0	-46.10	333.29	3.38	-42.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=N1	REAL300025551732	0	30	-1.0	-40.93	299.71	1.37	-39.56
CC1=CC=C(C2=CN=C(CCC(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025551733	0	39	-1.0	-39.42	343.74	1.69	-37.73
CC1=CC=C(C)N1C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551734	0	38	-1.0	-38.48	340.09	5.55	-32.93
O=C(CN1C(COC2=CC=CC=C2)=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551735	0	44	-1.0	-46.22	382.74	5.07	-41.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300025551736	0	31	-1.0	-38.20	294.93	1.74	-36.46
O=C(CCOC1=CC=CC=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551737	0	41	-1.0	-38.04	354.35	5.12	-32.92
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300025551738	0	38	-1.0	-46.15	327.97	3.96	-42.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL300025551739	0	34	-1.0	-47.36	293.47	-0.22	-47.58
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551740	0	37	-1.0	-38.96	352.61	3.58	-35.38
CC(C)N1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025551741	0	35	-1.0	-38.71	308.19	1.76	-36.95
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C=CO1	REAL300025551742	0	35	-1.0	-39.07	313.81	2.39	-36.68
CC1=NOC2=NC(C(C)C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551743	0	37	-1.0	-35.32	315.77	-0.21	-35.53
CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551744	0	35	-1.0	-34.60	301.47	0.08	-34.52
COC1=CC=C(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551745	0	35	-1.0	-39.46	306.46	0.37	-39.09
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300025551746	0	31	-1.0	-37.76	283.42	1.14	-36.62
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300025551747	0	31	-1.0	-37.55	293.73	1.59	-35.96
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300025551748	0	37	-1.0	-41.59	321.45	0.22	-41.37
O=C(C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025551749	0	42	-1.0	-39.33	366.90	5.51	-33.82
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL300025551750	0	41	-1.0	-41.28	342.99	-0.08	-41.36
CSC1=NC(C)=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025551751	0	36	-1.0	-43.40	325.82	0.26	-43.14
CSC1=NC(C)=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL300025551751	1	35	-2.0	-89.07	322.58	-0.88	-89.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL300025551752	0	32	-1.0	-45.50	300.31	0.64	-44.86
O=C(CC1SC2=CC=C(C(F)(F)F)C=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025551753	0	36	-1.0	-37.82	340.82	1.71	-36.11
O=C(CC1SC2=CC=C(Cl)C=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025551754	0	33	-1.0	-37.57	318.88	1.23	-36.34
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300025551755	0	35	-1.0	-44.39	300.35	2.02	-42.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)N1CCOCC1	REAL300025551756	0	40	-1.0	-50.35	335.95	0.18	-50.17
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300025551757	0	30	-1.0	-41.12	295.15	1.27	-39.85
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551758	0	35	-1.0	-43.86	313.77	-2.10	-45.96
O=C(C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)NCC1=NC(=O)O[N-]1	REAL300025551759	0	37	-1.0	-47.34	348.89	5.58	-41.76
CC1CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025551760	0	46	-1.0	-37.59	367.78	1.92	-35.67
CC1C[NH+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025551760	1	47	0.0	-65.25	374.36	3.84	-61.41
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551761	0	32	-1.0	-35.17	285.08	2.17	-33.00
C#CCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551762	0	34	-1.0	-41.11	324.50	-1.44	-42.55
COCCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551763	0	39	-1.0	-41.00	352.09	-2.84	-43.84
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551764	0	41	-1.0	-39.75	355.05	0.43	-39.32
COC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025551765	0	33	-1.0	-41.09	293.93	0.79	-40.30
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(N)=O	REAL300025551766	0	36	-1.0	-43.23	338.31	-1.12	-44.35
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551767	0	39	-1.0	-44.06	346.18	-0.43	-44.49
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C21	REAL300025551768	0	42	-1.0	-37.58	375.29	4.40	-33.18
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C21	REAL300025551769	0	42	-1.0	-38.72	367.42	3.46	-35.26
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Br)C=C1	REAL300025551770	0	38	-1.0	-38.68	345.76	5.51	-33.17
CC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300025551771	0	48	-1.0	-37.57	404.32	6.10	-31.47
CCN1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C21	REAL300025551772	0	42	-1.0	-37.28	361.62	4.63	-32.65
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1	REAL300025551773	0	37	-1.0	-41.68	329.25	2.54	-39.14
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300025551774	0	38	-1.0	-37.18	327.40	2.31	-34.87
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)NCC1=NC(=O)O[N-]1	REAL300025551775	0	36	-1.0	-38.77	355.83	2.09	-36.68
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025551776	0	36	-1.0	-40.68	329.85	1.09	-39.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCNC(=O)C2)C=C1	REAL300025551777	0	40	-1.0	-45.93	355.01	-2.90	-48.83
CC1=NC(COC2=CC=CC(C=CC(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025551778	0	41	-1.0	-39.83	371.96	3.33	-36.50
CS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551779	0	35	-1.0	-45.71	301.27	-2.25	-47.96
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300025551780	0	44	-1.0	-40.97	376.51	3.87	-37.10
O=C(NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025551781	0	35	-1.0	-39.12	319.63	2.51	-36.61
CC1=CC=C(N2C=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025551782	0	40	-1.0	-41.88	359.68	5.92	-35.96
CC1=NOC2=NC(C3=CC=C(F)C=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551783	0	38	-1.0	-34.21	334.88	1.86	-32.35
CC1=C(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)C=C(C#N)N1C	REAL300025551784	0	34	-1.0	-49.10	316.62	2.69	-46.41
CC1=NN(C)C2=NC(C)=C(CCC(=O)NCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025551785	0	44	-1.0	-41.24	360.94	3.09	-38.15
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551786	0	39	-1.0	-39.48	343.39	4.46	-35.02
CC(=O)NC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551787	0	35	-1.0	-43.37	311.93	1.14	-42.23
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025551788	0	37	-1.0	-38.18	325.47	3.39	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300025551789	0	32	-1.0	-41.99	287.83	0.14	-41.85
O=C(CCNC(=O)CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025551790	0	37	-1.0	-44.81	326.84	0.85	-43.96
CC1=NC(COC2=CC=C(C=CC(=O)NCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025551791	0	41	-1.0	-39.99	371.90	3.35	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)NC1=O	REAL300025551792	0	27	-1.0	-46.36	262.42	-0.84	-47.20
O=C(CCC1CC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025551793	0	38	-1.0	-41.03	322.81	1.42	-39.61
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300025551794	0	33	-1.0	-39.69	301.14	1.59	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)(F)F	REAL300025551795	0	30	-1.0	-41.10	287.57	0.41	-40.69
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1)C1=CC=CC=C1	REAL300025551796	0	38	-1.0	-38.14	336.76	5.40	-32.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(F)C=C1	REAL300025551797	0	38	-1.0	-42.44	336.63	5.65	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCCOC1=CC=CC=C1	REAL300025551798	0	42	-1.0	-46.38	360.14	5.31	-41.07
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1OC(F)F	REAL300025551799	0	32	-1.0	-41.85	287.59	1.65	-40.20
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551800	0	41	-1.0	-43.62	345.14	6.16	-37.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC(F)F	REAL300025551801	0	28	-1.0	-37.94	266.45	2.28	-35.66
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(N2C=CC=C2)S1	REAL300025551802	0	35	-1.0	-41.34	314.39	4.13	-37.21
CC1=NOC(CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551803	0	37	-1.0	-43.28	335.15	4.09	-39.19
CC1=NC(COC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025551804	0	36	-1.0	-47.90	321.80	1.09	-46.81
CC1=NC(CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025551805	0	37	-1.0	-42.71	344.81	3.62	-39.09
COC1=CC(Br)=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551806	0	32	-1.0	-37.97	300.14	1.59	-36.38
O=C(CCN1C=NC2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551807	0	35	-1.0	-42.88	333.71	3.30	-39.58
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)NCC1=NC(=O)O[N-]1	REAL300025551808	0	36	-1.0	-39.74	337.62	1.40	-38.34
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025551809	0	36	-1.0	-38.43	339.06	1.54	-36.89
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025551810	0	36	-1.0	-39.98	337.04	1.22	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1	REAL300025551811	0	39	-1.0	-39.39	347.32	4.07	-35.32
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300025551812	0	36	-1.0	-35.62	343.69	3.58	-32.04
COC1=CC=C(N2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025551813	0	37	-1.0	-42.77	324.49	0.53	-42.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NN1	REAL300025551814	0	31	-1.0	-35.27	299.30	1.61	-33.66
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300025551815	0	30	-1.0	-38.35	296.49	2.58	-35.77
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300025551816	0	30	-1.0	-41.76	287.84	2.20	-39.56
CC1=NC(CSC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025551817	0	37	-1.0	-39.10	349.13	3.62	-35.48
COC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025551818	0	45	-1.0	-43.28	385.12	3.04	-40.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025551819	0	34	-1.0	-38.04	315.41	3.19	-34.85
O=C(C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025551820	0	35	-1.0	-40.47	340.64	5.53	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C(C2=CC=CO2)=C1	REAL300025551821	0	38	-1.0	-41.57	357.96	4.33	-37.24
CC(C)C1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025551822	0	44	-1.0	-38.75	378.21	3.09	-35.66
CC1=CC=CC(COC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025551823	0	41	-1.0	-39.56	353.78	4.99	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C(C2=CC=CO2)=C1	REAL300025551824	0	38	-1.0	-44.70	357.96	4.32	-40.38
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025551825	0	34	-1.0	-40.00	306.21	1.57	-38.43
COC1=CC=C(Cl)C=C1C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551826	0	42	-1.0	-48.78	364.01	3.81	-44.97
COC1=C(OC)C(OC)=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025551827	0	40	-1.0	-38.46	350.73	0.24	-38.22
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025551828	0	39	-1.0	-40.78	337.70	4.46	-36.32
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025551829	0	36	-1.0	-43.28	322.10	0.86	-42.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300025551830	0	33	-1.0	-43.96	303.66	1.22	-42.74
COC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025551831	0	34	-1.0	-42.02	310.67	1.50	-40.52
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551832	0	39	-1.0	-36.28	327.41	2.79	-33.49
CC1=NN(C)C2=NC(C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551833	0	35	-1.0	-37.85	303.58	1.22	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C(C2=CC=CS2)=N1	REAL300025551834	0	37	-1.0	-45.88	350.52	4.37	-41.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CN3C=CC=CC3=N2)C=C1	REAL300025551835	0	41	-1.0	-44.44	369.52	6.41	-38.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)F	REAL300025551836	0	27	-1.0	-38.84	265.10	1.11	-37.73
NC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025551837	0	36	-1.0	-40.68	307.24	-1.89	-42.57
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(COC2=CC=C(F)C=C2)=N1	REAL300025551838	0	37	-1.0	-37.59	343.53	2.18	-35.41
CN1C(=O)N(CCC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025551839	0	37	-1.0	-43.56	326.36	2.91	-40.65
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCC2)C=CS1	REAL300025551840	0	36	-1.0	-40.52	320.73	-0.05	-40.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(OC(F)F)C=CC=C2N1	REAL300025551841	0	32	-1.0	-38.86	294.23	0.56	-38.30
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025551842	0	36	-1.0	-39.58	322.34	1.01	-38.57
O=C(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551843	0	36	-1.0	-40.91	348.13	3.69	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300025551844	0	31	-1.0	-35.61	288.98	1.16	-34.45
CC1=CC=C(C(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025551845	0	44	-1.0	-45.57	358.32	3.47	-42.10
CC1=CC(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)S1	REAL300025551846	0	41	-1.0	-34.37	357.43	3.09	-31.28
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551847	0	35	-1.0	-37.21	317.35	-0.24	-37.45
CC1=CC(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300025551848	0	41	-1.0	-36.12	355.72	1.91	-34.21
NC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025551849	0	33	-1.0	-42.40	308.56	-2.40	-44.80
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300025551850	0	32	-1.0	-39.95	295.58	2.45	-37.50
CCCCC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551851	0	45	-1.0	-46.31	385.52	0.31	-46.00
CC1=CC(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C=NN(C(C)C)C3=N2)=C(C)O1	REAL300025551852	0	48	-1.0	-37.97	405.80	5.36	-32.61
CC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C=NN(C(C)C)C3=N2)C=C1	REAL300025551853	0	48	-1.0	-37.34	403.89	6.02	-31.32
CC1=CN2C=C(COC3=CC=CC(C(=O)NCC4=NC(=O)O[N-]4)=C3)N=C2C=C1	REAL300025551854	0	44	-1.0	-43.38	379.65	5.51	-37.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300025551855	0	33	-1.0	-43.74	299.65	4.14	-39.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)N=C1	REAL300025551856	0	36	-1.0	-38.64	302.78	-0.74	-39.38
CC1=CC=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=C1C	REAL300025551857	0	41	-1.0	-40.61	344.33	3.85	-36.76
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)OC2=CC=CC=C21	REAL300025551858	0	33	-1.0	-46.63	292.55	2.45	-44.18
CC1=CC(N2C(C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025551859	0	37	-1.0	-42.79	322.03	4.04	-38.75
CN1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025551860	0	34	-1.0	-46.08	305.34	2.46	-43.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)F)C=C1	REAL300025551861	0	28	-1.0	-38.05	270.77	2.30	-35.75
O=C(CCN1C=NC2=C(C=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025551862	0	32	-1.0	-44.50	302.98	1.78	-42.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300025551863	0	36	-1.0	-55.52	318.61	-0.37	-55.89
CC1=CN2C=C(COC3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3)N=C2C=C1	REAL300025551864	0	44	-1.0	-43.38	379.57	5.52	-37.86
CC1=CC=CN2C=C(COC3=CC=CC=C3C(=O)NCC3=NC(=O)O[N-]3)N=C12	REAL300025551865	0	44	-1.0	-46.13	377.55	6.67	-39.46
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1	REAL300025551866	0	37	-1.0	-45.98	344.19	4.30	-41.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)N=C1	REAL300025551867	0	30	-1.0	-35.70	289.66	-0.84	-36.54
CC1=CC=C(CNC(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551868	0	39	-1.0	-38.55	342.07	-0.41	-38.96
O=C(CNC(=O)NCC1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551869	0	36	-1.0	-38.61	327.07	-1.01	-39.62
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551870	0	32	-1.0	-36.30	311.82	3.70	-32.60
CCC(C)C1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025551871	0	40	-1.0	-38.90	331.73	4.24	-34.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2OC1	REAL300025551872	0	30	-1.0	-36.07	288.29	2.18	-33.89
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)NCC1=NC(=O)O[N-]1	REAL300025551873	0	33	-1.0	-42.24	308.94	0.99	-41.25
CC(C)(C)C1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551874	0	40	-1.0	-36.69	340.42	4.51	-32.18
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C2=C(F)C=CC=C2S1	REAL300025551875	0	41	-1.0	-42.63	368.55	5.68	-36.95
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL300025551876	0	44	-1.0	-39.74	381.78	6.00	-33.74
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025551877	0	42	-1.0	-45.07	347.39	1.91	-43.16
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551878	0	32	-1.0	-43.97	294.52	-2.24	-46.21
CC1=CC=C(CNC(=O)NC(CC(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551879	0	51	-1.0	-37.60	413.31	3.01	-34.59
CC(C)(C)C1CCC2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025551880	0	51	-1.0	-39.99	394.92	5.56	-34.43
CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025551881	0	54	-1.0	-40.01	409.13	6.03	-33.98
CC1=NC(COC2=CC=CC=C2C=CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025551882	0	41	-1.0	-41.38	370.84	3.40	-37.98
COC1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025551883	0	39	-1.0	-39.34	347.49	0.49	-38.85
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025551884	0	34	-1.0	-38.17	312.68	2.39	-35.78
CC1=C(C)C2=C(N3CCC(C(=O)NCC4=NC(=O)O[N-]4)CC3)N=CN=C2S1	REAL300025551885	0	46	-1.0	-38.15	384.71	4.82	-33.33
COC1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025551886	0	39	-1.0	-46.22	337.62	1.68	-44.54
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(N2CCOCC2)=N1	REAL300025551887	0	45	-1.0	-45.18	370.37	1.85	-43.33
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025551887	1	44	-2.0	-90.45	368.17	0.98	-89.47
CN1C=NN=C1SCC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551888	0	41	-1.0	-51.42	375.27	3.46	-47.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(C2=CC=CS2)=N1	REAL300025551889	0	37	-1.0	-42.63	350.57	4.36	-38.27
CCCC(NC(=O)NCC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551890	0	45	-1.0	-37.40	381.78	0.99	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1	REAL300025551891	0	42	-1.0	-39.54	365.47	1.63	-37.91
O=C(CN1C(=O)C2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551892	0	31	-1.0	-42.15	312.24	1.53	-40.62
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025551893	0	36	-2.0	-77.27	336.54	2.89	-74.38
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025551893	1	37	-1.0	-37.46	339.64	3.32	-34.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300025551894	0	39	-2.0	-78.78	360.77	3.33	-75.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)NC2=C1	REAL300025551894	1	40	-1.0	-39.37	367.35	3.90	-35.47
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025551895	0	32	-2.0	-76.05	302.13	1.27	-74.78
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025551895	1	33	-1.0	-37.72	305.23	1.70	-36.02
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551896	0	34	-1.0	-35.94	297.75	3.02	-32.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC1=CC=CC=C1	REAL300025551897	0	37	-1.0	-37.28	315.09	5.27	-32.01
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300025551898	0	38	-1.0	-35.44	306.42	3.54	-31.90
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300025551899	0	38	-1.0	-35.60	301.92	3.44	-32.16
CC1=CC=C(C23CC4CC(CC(C(=O)NCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025551900	0	51	-1.0	-37.34	379.73	6.80	-30.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025551901	0	38	-1.0	-37.87	341.99	4.61	-33.26
CC1=CC=C(N2C=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025551902	0	37	-1.0	-40.63	356.73	5.81	-34.82
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300025551903	0	36	-1.0	-45.16	349.78	0.98	-44.18
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)C2=CC=CC=C2N=C1	REAL300025551904	0	32	-1.0	-38.74	287.44	2.27	-36.47
CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551905	0	38	-1.0	-46.80	314.70	3.40	-43.40
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC(C)C	REAL300025551906	0	45	-1.0	-46.62	371.57	4.97	-41.65
COCCN1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025551907	0	43	-1.0	-45.83	371.40	2.91	-42.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)CSC2=O)=C1	REAL300025551908	0	35	-1.0	-42.84	326.72	1.81	-41.03
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NN3N=NN=C3C=C2)CC1	REAL300025551909	0	39	-1.0	-47.77	329.44	0.92	-46.85
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300025551910	0	37	-1.0	-38.01	305.63	4.45	-33.56
N#CC1=CC=CC=C1SC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551911	0	36	-1.0	-42.30	333.71	5.33	-36.97
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCC2=NC2=CC=CC=C21	REAL300025551912	0	36	-1.0	-40.63	310.21	3.03	-37.60
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2CN1C(=O)C1=CC=CO1	REAL300025551913	0	42	-1.0	-47.90	349.89	4.83	-43.07
CSCCC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2CCCCC2C1=O	REAL300025551914	0	47	-1.0	-42.69	392.55	3.65	-39.04
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C(=O)O1	REAL300025551915	0	34	-1.0	-47.08	296.36	2.64	-44.44
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=CC=C1	REAL300025551916	0	32	-1.0	-43.57	304.42	3.54	-40.03
O=C(CC1(CC2=NC3=CC=CC=C3S2)CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025551917	0	48	-1.0	-39.59	379.14	5.35	-34.24
O=C(CN1C(=S)NN=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025551918	0	31	-1.0	-42.57	307.39	2.59	-39.98
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025551918	1	30	-2.0	-92.53	303.94	2.43	-90.10
CSC1=NC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025551919	0	26	-1.0	-38.77	269.07	0.18	-38.59
CC12CC3CC(C)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL300025551920	0	44	-1.0	-36.00	326.27	3.97	-32.03
CC1=CC=CC(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(F)(F)F)=C1	REAL300025551921	0	37	-1.0	-38.51	330.06	3.49	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1	REAL300025551922	0	34	-1.0	-38.66	308.69	2.83	-35.83
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300025551923	0	34	-1.0	-36.75	305.01	3.84	-32.91
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=C1	REAL300025551924	0	34	-1.0	-36.39	315.09	2.89	-33.50
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551925	0	47	-1.0	-36.24	374.40	1.89	-34.35
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CC1	REAL300025551926	0	31	-1.0	-36.92	293.85	3.36	-33.56
CC1=NOC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025551927	0	32	-1.0	-37.29	293.48	0.41	-36.88
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551928	0	39	-1.0	-41.71	330.75	3.15	-38.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC=C1F	REAL300025551929	0	35	-1.0	-41.38	306.54	3.90	-37.48
CCOC1=CC=C(NC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551930	0	42	-1.0	-38.48	354.49	3.87	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1	REAL300025551931	0	38	-1.0	-42.69	333.07	3.07	-39.62
COC1=CC(OC)=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025551932	0	36	-1.0	-38.59	313.90	-0.42	-39.01
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025551933	0	34	-1.0	-39.72	304.04	1.97	-37.75
O=C(CCC1=NN=C(C2=CSC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025551934	0	32	-1.0	-40.21	308.81	-2.60	-42.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1=CC=CC=C1	REAL300025551935	0	37	-1.0	-41.35	342.41	5.71	-35.64
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551936	0	42	-1.0	-42.26	354.80	5.73	-36.53
CN(C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL300025551937	0	35	-1.0	-52.56	312.71	0.12	-52.44
O=C(CSC1=NN=NN1C1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025551938	0	36	-1.0	-38.79	324.39	1.22	-37.57
CC1=NOC2=NC(C3=CC=C(C)C=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551939	0	41	-1.0	-35.22	349.87	2.46	-32.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CN2C=CC=CC2=N1	REAL300025551940	0	41	-1.0	-48.57	365.20	6.41	-42.16
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551941	0	39	-1.0	-42.71	340.59	5.10	-37.61
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025551942	0	42	-1.0	-43.22	356.80	5.59	-37.63
CC1=CC=CC(C2=NN=C(C3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3)O2)=C1	REAL300025551943	0	42	-1.0	-39.20	374.72	1.42	-37.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NC3=CC=CC=C3S2)C=C1	REAL300025551944	0	40	-1.0	-40.32	377.91	5.62	-34.70
COC1=CC=C(C2=C(C)SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025551945	0	38	-1.0	-38.52	341.71	3.65	-34.87
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025551946	0	38	-1.0	-41.50	317.70	2.97	-38.53
CCC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1CC	REAL300025551947	0	40	-1.0	-39.97	336.70	1.98	-37.99
COC1=CC=CC=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025551948	0	42	-1.0	-40.27	358.23	5.00	-35.27
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=C(OC(F)F)C=C1)C1=CC=CC=C1	REAL300025551949	0	42	-1.0	-39.66	368.12	5.23	-34.43
CC1=CC=C(N2C(=O)CC(C(=O)NCC3=NC(=O)O[N-]3)C2C2=CC=CS2)C=C1	REAL300025551950	0	45	-1.0	-43.30	380.09	4.94	-38.36
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	REAL300025551951	0	52	-1.0	-47.31	377.77	4.54	-42.77
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1	REAL300025551952	0	35	-1.0	-36.18	335.94	5.35	-30.83
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C1CC1	REAL300025551953	0	42	-1.0	-46.21	357.96	3.92	-42.29
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551954	0	37	-2.0	-92.70	334.82	0.38	-92.32
CC1=C2C(=CC=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025551955	0	30	-1.0	-38.90	287.45	3.41	-35.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)N1CCCCC1	REAL300025551956	0	42	-1.0	-50.32	343.24	2.63	-47.69
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL300025551957	0	35	-1.0	-39.41	310.53	4.01	-35.40
CN1C2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025551958	0	41	-1.0	-44.33	352.76	5.87	-38.46
CC1=CN2C=C(CSCC(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025551959	0	37	-1.0	-45.58	338.54	4.23	-41.35
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551960	0	39	-1.0	-46.96	348.55	3.22	-43.74
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300025551961	0	32	-1.0	-36.63	315.67	2.70	-33.93
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=NN=C(C(F)(F)F)N1	REAL300025551961	1	32	-1.0	-37.53	315.30	2.90	-34.63
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=CC=CS1	REAL300025551962	0	38	-1.0	-47.50	323.80	3.09	-44.41
CC1=CC=C(C23CC4CC(CC(C(=O)NCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1C	REAL300025551963	0	54	-1.0	-38.55	396.74	7.35	-31.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300025551964	0	40	-1.0	-38.63	336.14	6.20	-32.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300025551965	0	34	-1.0	-39.75	314.41	3.61	-36.14
COC1=CC=C(C23CC4CC(CC(C(=O)NCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025551966	0	52	-1.0	-38.08	387.80	5.42	-32.66
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551967	0	34	-1.0	-42.36	331.49	3.95	-38.41
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551967	1	33	-2.0	-90.12	328.08	3.79	-86.33
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551968	0	37	-1.0	-43.07	336.17	4.11	-38.96
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551968	1	36	-2.0	-94.35	332.76	3.95	-90.40
COC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551969	0	41	-1.0	-41.33	364.08	3.29	-38.04
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551969	1	40	-2.0	-87.41	360.65	3.13	-84.28
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025551970	0	32	-2.0	-91.02	305.93	1.86	-89.16
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)NCC1=NC(=O)O[N-]1	REAL300025551970	1	33	-1.0	-48.14	309.02	2.30	-45.84
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025551971	0	44	-2.0	-85.02	391.00	4.68	-80.34
O=C(CCCCCN1C(=O)C2=CC=CC=C2NC1=S)NCC1=NC(=O)O[N-]1	REAL300025551971	1	45	-1.0	-47.13	394.09	5.10	-42.03
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551972	0	36	-1.0	-41.03	316.53	2.31	-38.72
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL300025551973	0	35	-1.0	-39.41	314.28	2.36	-37.05
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551974	0	45	-1.0	-42.22	365.10	1.05	-41.17
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025551975	0	42	-1.0	-37.21	354.42	4.39	-32.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300025551976	0	35	-1.0	-40.24	323.55	2.55	-37.69
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)NCC1=NC(=O)O[N-]1	REAL300025551977	0	41	-1.0	-41.76	345.61	4.63	-37.13
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025551978	0	31	-1.0	-37.27	286.99	0.33	-36.94
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025551979	0	38	-1.0	-37.99	309.65	3.60	-34.39
CCOC1=CC=C(OC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551980	0	41	-1.0	-37.44	332.57	2.70	-34.74
CC(C)C(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551981	0	42	-1.0	-37.62	372.37	3.05	-34.57
CC1=CC=C(S(=O)(=O)N(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025551982	0	41	-1.0	-45.58	358.86	0.65	-44.93
CC(CC1=NC2=CC=CC=C2S1)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025551983	0	45	-1.0	-39.55	386.10	5.70	-33.85
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)S1	REAL300025551984	0	42	-1.0	-42.23	372.64	0.70	-41.53
CN1N=CC2=C1N=CN(CCC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551985	0	35	-1.0	-46.01	315.67	1.41	-44.60
O=C(NCC1=NC(=O)O[N-]1)C1CC=CCC1C1=NC2=CC=CC=C2S1	REAL300025551986	0	40	-1.0	-42.55	341.57	5.04	-37.51
O=C(CCN1C(=O)C2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025551987	0	34	-1.0	-40.14	333.27	1.93	-38.21
CN1C(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2N(C)C1=O	REAL300025551988	0	35	-1.0	-36.86	309.37	0.63	-36.23
O=C(CCCNC(=O)NC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025551989	0	45	-1.0	-41.84	366.63	0.06	-41.78
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551990	0	45	-1.0	-37.96	376.01	1.41	-36.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300025551991	0	30	-1.0	-40.94	277.63	-1.94	-42.88
COC1=CC=C(N2C(C)=CC(C=C(C#N)C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025551992	0	47	-1.0	-45.92	406.81	5.64	-40.28
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Br)C=C2)C1	REAL300025551993	0	35	-1.0	-38.31	321.20	2.60	-35.71
CC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025551994	0	38	-1.0	-42.90	340.48	-0.46	-43.36
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NCC1=NC(=O)O[N-]1	REAL300025551995	0	48	-1.0	-38.17	365.80	1.57	-36.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300025551996	0	34	-1.0	-58.07	312.46	1.99	-56.08
CC1=CC=C(SC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025551997	0	40	-1.0	-40.11	352.81	4.81	-35.30
CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025551998	0	51	-1.0	-43.30	390.12	1.43	-41.87
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025551999	0	37	-1.0	-43.57	341.24	1.97	-41.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025552000	0	38	-1.0	-39.03	338.43	4.11	-34.92
CC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552001	0	40	-1.0	-41.14	356.02	4.66	-36.48
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552001	1	39	-2.0	-88.73	352.60	4.50	-84.23
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025552002	0	35	-2.0	-76.58	323.27	2.33	-74.25
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025552002	1	36	-1.0	-37.47	326.37	2.75	-34.72
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552003	0	39	-1.0	-41.14	346.92	3.10	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1NC(=O)C1CC1	REAL300025552004	0	41	-1.0	-39.32	349.77	4.27	-35.05
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552005	0	36	-1.0	-48.56	313.80	3.57	-44.99
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552006	0	38	-1.0	-45.87	334.75	4.06	-41.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C=C1	REAL300025552007	0	36	-1.0	-40.45	335.91	4.95	-35.50
CC1=NOC(C)=C1COC1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552008	0	46	-1.0	-44.91	393.37	6.62	-38.29
CC1=CC=C(SC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025552009	0	40	-1.0	-39.59	353.80	4.86	-34.73
O=C(COC1=CC=C2NC(=O)CCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025552010	0	36	-1.0	-41.67	314.51	0.80	-40.87
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300025552011	0	47	-1.0	-39.61	387.91	6.92	-32.69
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552012	0	46	-1.0	-37.80	375.77	2.71	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300025552013	0	29	-1.0	-41.08	273.86	1.06	-40.02
CC(C)C1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025552014	0	37	-1.0	-36.39	314.92	2.91	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=C1	REAL300025552015	0	34	-1.0	-41.32	319.27	3.04	-38.28
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC1	REAL300025552016	0	31	-1.0	-36.07	293.18	3.38	-32.69
CCN(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552017	0	45	-1.0	-46.59	385.12	1.33	-45.26
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552018	0	29	-1.0	-33.88	272.91	1.02	-32.86
CC1=CC=C(C(=O)CCC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025552019	0	40	-1.0	-39.98	365.07	3.77	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCNC(=O)C2)=CC=C1	REAL300025552020	0	40	-1.0	-45.20	355.05	-2.91	-48.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NC3=CC=CC=C3N2)C=C1	REAL300025552021	0	41	-1.0	-41.20	372.16	4.90	-36.30
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025552022	0	35	-2.0	-86.24	326.50	2.31	-83.93
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)NCC1=NC(=O)O[N-]1	REAL300025552022	1	36	-1.0	-46.40	329.59	2.74	-43.66
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552023	0	32	-1.0	-34.93	295.37	2.61	-32.32
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025552024	0	42	-1.0	-42.37	356.96	1.31	-41.06
COC1=CC=C(C2=NN=C(SCC(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025552025	0	37	-1.0	-39.82	348.35	-2.43	-42.25
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=C(Br)C=C2C1=O	REAL300025552026	0	34	-1.0	-41.22	325.77	2.75	-38.47
CC1=CC=C2C(=O)N(C(C)C(=O)NCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025552027	0	37	-1.0	-44.04	325.89	2.77	-41.27
O=C(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)NCC1=NC(=O)O[N-]1	REAL300025552028	0	35	-1.0	-45.99	328.73	-1.59	-47.58
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(CC3=CC=CS3)C2=N1	REAL300025552029	0	39	-1.0	-37.28	356.66	3.70	-33.58
O=C(C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025552030	0	35	-1.0	-38.68	340.63	5.55	-33.13
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=C(F)C=C2)=N1	REAL300025552031	0	34	-1.0	-42.63	326.60	1.42	-41.21
NC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025552032	0	37	-1.0	-47.63	327.02	-1.74	-49.37
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NS(C)(=O)=O	REAL300025552033	0	35	-1.0	-45.81	312.18	-1.48	-47.29
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552034	0	40	-1.0	-42.79	355.50	4.70	-38.09
CC(C)N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552035	0	41	-1.0	-43.74	359.60	0.50	-43.24
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552036	0	38	-1.0	-42.01	341.31	1.98	-40.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300025552037	0	40	-1.0	-43.75	358.76	4.25	-39.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300025552038	0	37	-1.0	-40.27	318.43	3.28	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NC2=CC=CC=C2O1	REAL300025552039	0	40	-1.0	-44.96	360.92	3.14	-41.82
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CO1)N1N=NN=C1C1=CC=CC=C1	REAL300025552040	0	40	-1.0	-48.80	359.69	3.48	-45.32
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CS1)N1N=NN=C1C1=CC=CC=C1	REAL300025552041	0	40	-1.0	-42.66	359.72	4.20	-38.46
CC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(F)(F)F)C=C1	REAL300025552042	0	37	-1.0	-38.30	330.07	3.50	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300025552043	0	40	-1.0	-42.19	339.32	5.31	-36.88
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552044	0	44	-1.0	-48.50	375.37	5.34	-43.16
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025552045	0	33	-1.0	-41.41	294.02	2.34	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CO2)S1	REAL300025552046	0	37	-1.0	-41.19	344.81	3.53	-37.66
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)N(C2=CC=C(F)C=C2)N=C1	REAL300025552047	0	39	-1.0	-37.38	344.08	5.85	-31.53
O=C(NCC1=NC(=O)O[N-]1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300025552048	0	34	-1.0	-42.70	311.09	2.34	-40.36
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300025552049	0	37	-1.0	-41.68	307.00	4.38	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCC(=CC3=CC=CC=C3)C2=NC2=CC=CC=C21	REAL300025552050	0	47	-1.0	-41.83	396.63	7.83	-34.00
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCC(=CC3=CC=CO3)C2=NC2=CC=CC=C21	REAL300025552051	0	44	-1.0	-44.21	378.24	6.38	-37.83
CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552052	0	41	-1.0	-44.21	335.03	1.40	-42.81
CCS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552053	0	35	-1.0	-47.48	319.84	-1.46	-48.94
CC(C)C1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025552054	0	39	-1.0	-41.67	348.54	3.78	-37.89
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025552055	0	37	-1.0	-39.81	320.08	3.34	-36.47
CCCS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552056	0	38	-1.0	-47.27	341.34	-0.66	-47.93
COC1=CC=CC(C=C(C(=O)NCC2=NC(=O)O[N-]2)N2N=NN=C2C)=C1	REAL300025552057	0	40	-1.0	-41.18	348.97	1.44	-39.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025552058	0	37	-1.0	-41.12	335.74	3.61	-37.51
O=C(CSCC(=O)N1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025552059	0	38	-1.0	-45.16	327.41	1.67	-43.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC(F)(F)F	REAL300025552060	0	28	-1.0	-35.85	273.03	2.49	-33.36
O=C(CCC1=NC(C2=CC=CO2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025552061	0	32	-1.0	-41.18	299.53	-0.81	-41.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2F)O1	REAL300025552062	0	40	-1.0	-47.44	360.68	4.34	-43.10
O=C(CN1N=NC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552063	0	32	-1.0	-42.75	297.44	0.73	-42.02
O=C(C=CC1=CC=C(C2=CC=CC=C2F)S1)NCC1=NC(=O)O[N-]1	REAL300025552064	0	35	-1.0	-39.36	333.29	5.16	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NC2=CC=CC=C2N1	REAL300025552065	0	41	-1.0	-43.81	365.02	4.89	-38.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NCCS1	REAL300025552066	0	36	-1.0	-40.39	332.76	2.23	-38.16
CC1=CSC(SCC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025552067	0	37	-1.0	-41.70	343.57	3.61	-38.09
COC1=CC=C(C2=NNC(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552068	0	38	-1.0	-42.90	344.20	2.74	-40.16
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552068	1	37	-2.0	-92.66	340.80	2.57	-90.09
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552069	0	37	-1.0	-42.96	335.85	4.09	-38.87
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552069	1	36	-2.0	-94.61	332.78	3.94	-90.67
O=C(CN1C(=O)C2=CC=CC=C2S1(=O)=O)NCC1=NC(=O)O[N-]1	REAL300025552070	0	32	-1.0	-49.44	307.69	-2.10	-51.54
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552071	0	32	-1.0	-40.57	314.16	1.25	-39.32
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025552072	0	34	-1.0	-40.35	331.38	0.54	-39.81
CC(C)C1CCC(C)CC1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552073	0	46	-1.0	-37.72	354.81	4.02	-33.70
CN(C(=O)CSCC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025552074	0	44	-1.0	-45.69	365.61	2.99	-42.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1	REAL300025552075	0	30	-1.0	-36.05	295.81	-1.30	-37.35
CC1=CC=CC(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552076	0	37	-1.0	-39.00	316.76	5.30	-33.70
O=C(NCC1=NC(=O)O[N-]1)C1CSC(CC2=CC=CC=C2F)C(=O)N1	REAL300025552077	0	39	-1.0	-38.81	349.68	1.80	-37.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1	REAL300025552078	0	36	-1.0	-36.79	320.03	0.24	-36.55
CC1=NN(CCC#N)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552079	0	40	-1.0	-42.08	351.71	2.66	-39.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Br)C=C1	REAL300025552080	0	34	-1.0	-37.86	319.97	3.29	-34.57
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552081	0	44	-1.0	-36.34	368.08	0.53	-35.81
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552082	0	43	-1.0	-35.55	341.20	0.10	-35.45
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552083	0	46	-1.0	-34.96	358.27	0.45	-34.51
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NCC1=NC(=O)O[N-]1	REAL300025552084	0	30	-1.0	-49.46	287.71	1.34	-48.12
CC(OC1=CC=C(Cl)C=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552085	0	31	-1.0	-37.61	308.46	3.38	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300025552086	0	34	-1.0	-35.93	309.47	3.94	-31.99
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCCC1	REAL300025552087	0	37	-1.0	-37.47	320.52	5.01	-32.46
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025552088	0	33	-1.0	-43.35	314.57	-0.15	-43.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300025552089	0	28	-1.0	-35.22	277.52	2.38	-32.84
CC(C)(C)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C(C)(C)C)=C1	REAL300025552090	0	52	-1.0	-37.66	402.01	6.47	-31.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C1	REAL300025552091	0	41	-1.0	-43.04	368.76	4.33	-38.71
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2F)C1	REAL300025552092	0	35	-1.0	-39.50	321.13	2.41	-37.09
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025552093	0	39	-1.0	-46.57	354.76	1.15	-45.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)S1	REAL300025552094	0	30	-1.0	-45.02	289.00	0.71	-44.31
CCC1=CC=CC=C1N1C=NN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552095	0	40	-1.0	-41.53	359.31	5.88	-35.65
O=C(CSCC1=CC(=O)N2C=CSC2=N1)NCC1=NC(=O)O[N-]1	REAL300025552096	0	33	-1.0	-46.66	326.81	2.12	-44.54
O=C(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1)NC1=CC=CC=C1	REAL300025552097	0	37	-1.0	-47.46	339.64	1.46	-46.00
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC=C1Cl	REAL300025552098	0	38	-1.0	-45.46	350.44	4.24	-41.22
O=C(CN1N=C2CCCCCN2C1=O)NCC1=NC(=O)O[N-]1	REAL300025552099	0	37	-1.0	-48.76	313.26	1.79	-46.97
CC1=NOC(CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025552100	0	36	-1.0	-43.48	329.79	1.52	-41.96
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025552101	0	35	-1.0	-43.51	298.28	1.81	-41.70
CC1=CC=C(N2C=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552102	0	37	-1.0	-41.89	342.69	5.39	-36.50
COC1=CC=C(N2C=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552103	0	38	-1.0	-42.11	350.75	4.00	-38.11
CC(C)C1=CC=C(N2C=NN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552104	0	43	-1.0	-41.45	381.49	6.65	-34.80
O=C(CSC1=NN=CN1C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025552105	0	34	-1.0	-40.81	338.02	5.23	-35.58
CC1=NN(C)C2=NC(C3=CC=CS3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552106	0	39	-1.0	-38.26	351.54	3.30	-34.96
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OCC1=CC=CN=C1	REAL300025552107	0	43	-1.0	-38.94	371.22	4.19	-34.75
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552108	0	36	-1.0	-40.93	321.42	2.52	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1	REAL300025552109	0	43	-1.0	-41.19	369.62	5.34	-35.85
CCOC1=CC=C(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552110	0	36	-1.0	-41.87	322.34	2.56	-39.31
CCCN1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025552111	0	42	-1.0	-46.48	359.22	4.62	-41.86
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CCC(C)C	REAL300025552112	0	48	-1.0	-46.31	398.32	5.90	-40.41
CCCCN1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025552113	0	45	-1.0	-46.44	380.72	5.40	-41.04
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCO1	REAL300025552114	0	47	-1.0	-47.56	392.87	4.24	-43.32
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025552115	0	49	-1.0	-45.74	388.98	6.01	-39.73
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300025552116	0	46	-1.0	-45.16	398.73	7.05	-38.11
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300025552117	0	46	-1.0	-45.21	397.44	7.23	-37.98
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025552118	0	46	-1.0	-45.36	381.57	3.22	-42.14
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552119	0	44	-1.0	-40.88	367.83	1.97	-38.91
CN1N=CC2=C1N=C(CCC(=O)NCC1=NC(=O)O[N-]1)NC2=O	REAL300025552120	0	35	-1.0	-41.93	314.95	-0.25	-42.18
NC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025552121	0	37	-1.0	-46.35	333.65	-1.68	-48.03
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCC1	REAL300025552122	0	37	-1.0	-40.22	321.89	4.93	-35.29
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=CC=CC=C1	REAL300025552123	0	41	-1.0	-47.40	337.24	4.21	-43.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025552124	0	39	-2.0	-97.14	348.34	-0.28	-97.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1O	REAL300025552124	1	40	-1.0	-45.07	351.83	-1.27	-46.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1O	REAL300025552125	0	25	-1.0	-38.14	251.25	0.21	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025552125	1	24	-2.0	-89.48	247.69	1.22	-88.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Br	REAL300025552126	0	24	-1.0	-36.19	254.12	2.19	-34.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300025552127	0	36	-2.0	-89.90	350.15	-1.46	-91.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-]	REAL300025552127	1	35	-3.0	-190.87	346.60	-0.45	-191.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Br)=C1[O-]	REAL300025552128	0	24	-2.0	-85.00	268.10	1.85	-83.15
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1O	REAL300025552129	0	33	-1.0	-38.88	316.23	0.06	-38.82
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(O)C(C(C)C)=C1	REAL300025552130	0	43	-1.0	-38.85	348.66	3.47	-35.38
CC1=CC(C)=C2C(=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025552131	0	33	-1.0	-38.54	308.85	4.06	-34.48
COC1=CC=C(S(=O)(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)O)C=C1	REAL300025552132	0	43	-1.0	-41.03	368.84	-4.70	-45.73
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(O)C(C(C)(C)C)=C1	REAL300025552133	0	49	-1.0	-38.48	375.79	4.56	-33.92
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C(C)C1=CC=CC=C1	REAL300025552134	0	44	-1.0	-41.56	345.92	5.12	-36.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1	REAL300025552135	0	36	-1.0	-40.55	325.58	4.49	-36.06
O=C(COC1=CC=C(F)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025552136	0	28	-1.0	-37.48	277.26	2.19	-35.29
CNC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552137	0	35	-1.0	-41.87	312.06	0.53	-41.34
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300025552138	0	43	-1.0	-43.27	344.77	3.49	-39.78
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552139	0	41	-1.0	-41.27	361.68	3.75	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)N(C2=CC=CC=C2F)N=C1	REAL300025552140	0	39	-1.0	-42.53	349.84	6.12	-36.41
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025552141	0	40	-1.0	-39.34	328.04	3.74	-35.60
CSC1=NC(C2CC2)=NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552142	0	36	-1.0	-38.35	328.90	2.22	-36.13
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552143	0	36	-1.0	-41.41	338.76	1.65	-39.76
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552144	0	38	-1.0	-37.91	339.87	1.75	-36.16
CCOC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025552145	0	40	-1.0	-41.98	360.73	2.92	-39.06
CC1=CC(Br)=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025552146	0	38	-1.0	-39.06	348.74	3.93	-35.13
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CCCC1	REAL300025552147	0	40	-1.0	-42.45	357.41	2.06	-40.39
CC1=CC=C(C)C(S(=O)(=O)C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025552148	0	46	-1.0	-36.51	363.25	3.33	-33.18
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NN3C=NN=C3C=C2)CC1	REAL300025552149	0	40	-1.0	-44.82	334.08	4.05	-40.77
O=C(CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552150	0	42	-1.0	-41.39	376.17	0.39	-41.00
CCCN1C(=O)NC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C(C)C)N=C21	REAL300025552151	0	47	-1.0	-40.67	392.12	3.41	-37.26
NS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552152	0	34	-1.0	-44.43	294.58	-4.90	-49.33
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025552153	0	40	-1.0	-36.95	345.39	4.26	-32.69
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CSC=N1	REAL300025552154	0	38	-1.0	-39.49	344.61	1.30	-38.19
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2N(C)C1=O	REAL300025552155	0	35	-1.0	-37.79	311.62	0.69	-37.10
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025552156	0	40	-1.0	-45.01	348.29	2.44	-42.57
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300025552157	0	33	-1.0	-39.93	328.96	3.57	-36.36
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025552158	0	32	-1.0	-38.20	305.76	0.88	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL300025552159	0	38	-1.0	-40.53	326.40	3.88	-36.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300025552160	0	30	-1.0	-37.53	301.54	-0.81	-38.34
COC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC(OC)=C1OC	REAL300025552161	0	47	-1.0	-47.22	391.92	1.15	-46.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300025552162	0	34	-1.0	-42.68	303.01	3.59	-39.09
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCS(=O)(=O)C2)C1	REAL300025552163	0	38	-1.0	-47.29	328.42	-2.58	-49.87
COC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025552164	0	39	-1.0	-40.14	329.41	1.26	-38.88
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Br)C=C1	REAL300025552165	0	37	-1.0	-37.77	340.35	3.95	-33.82
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025552166	0	37	-1.0	-51.45	329.10	-0.34	-51.79
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL300025552167	0	27	-1.0	-39.14	284.41	3.29	-35.85
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552168	0	39	-1.0	-41.10	343.67	2.23	-38.87
O=C(CCC1=CC=C(OC(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552169	0	34	-1.0	-39.19	306.41	2.12	-37.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300025552170	0	37	-1.0	-43.95	322.74	2.46	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL300025552171	0	35	-1.0	-39.78	310.76	0.75	-39.03
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552172	0	40	-1.0	-45.49	347.50	4.35	-41.14
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=C([N+](=O)[O-])C=CC2=NN1	REAL300025552173	0	29	-1.0	-36.95	276.09	0.41	-36.54
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300025552173	1	29	-1.0	-43.24	278.09	0.38	-42.86
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1Br	REAL300025552174	0	25	-1.0	-34.24	267.94	1.51	-32.73
CCCS(=O)(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552175	0	38	-1.0	-48.47	325.82	-0.10	-48.57
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025552176	0	48	-1.0	-41.95	380.30	1.99	-39.96
O=C(CN1N=CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025552177	0	32	-1.0	-49.52	292.57	0.77	-48.75
CN1C=CN=C1SCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552178	0	35	-1.0	-42.45	331.66	2.74	-39.71
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=NC=CC(C)=C12	REAL300025552179	0	32	-1.0	-42.13	283.70	1.65	-40.48
CC1NC(C(=O)NCC2=NC(=O)O[N-]2)=NN(C2=CC=CC=C2)C1=O	REAL300025552180	0	37	-1.0	-40.11	327.33	0.81	-39.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300025552181	0	41	-1.0	-39.94	329.96	3.97	-35.97
CCOC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025552182	0	40	-1.0	-37.12	356.27	2.81	-34.31
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1	REAL300025552183	0	33	-1.0	-48.61	307.86	1.86	-46.75
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025552184	0	41	-1.0	-45.96	351.03	4.70	-41.26
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300025552185	0	40	-1.0	-41.52	333.19	1.01	-40.51
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300025552186	0	44	-1.0	-46.75	353.63	4.96	-41.79
COC1=CC=C(CSCC(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025552187	0	37	-1.0	-45.97	345.71	3.84	-42.13
CC(C)(C)C1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025552188	0	40	-1.0	-36.36	330.85	3.31	-33.05
O=C(COC1=C(Br)C2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025552189	0	34	-1.0	-42.21	318.14	4.43	-37.78
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1C=NN=N1	REAL300025552190	0	32	-1.0	-39.94	284.86	1.96	-37.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C2=CC=CN=C12	REAL300025552191	0	29	-1.0	-41.20	274.60	2.28	-38.92
CC(C)(C)NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025552192	0	41	-1.0	-39.79	352.10	-0.83	-40.62
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025552193	0	43	-1.0	-37.90	348.76	5.06	-32.84
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1Br	REAL300025552194	0	37	-1.0	-37.36	340.03	3.81	-33.55
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552195	0	39	-1.0	-42.41	326.22	5.77	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1	REAL300025552196	0	39	-1.0	-41.80	350.22	-0.38	-42.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1	REAL300025552197	0	39	-1.0	-40.44	346.31	0.15	-40.29
CC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C2CC2)C=C1Cl	REAL300025552198	0	41	-1.0	-40.33	361.81	4.96	-35.37
CC1=NN(C)C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025552199	0	35	-1.0	-36.62	303.81	1.45	-35.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1	REAL300025552200	0	42	-1.0	-41.61	362.99	0.09	-41.52
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025552201	0	34	-1.0	-38.30	305.09	2.73	-35.57
CCOC1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025552202	0	42	-1.0	-39.15	369.35	1.41	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300025552203	0	37	-1.0	-39.43	327.13	2.56	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL300025552204	0	37	-1.0	-43.77	325.10	3.81	-39.96
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CN=C1	REAL300025552205	0	44	-1.0	-40.57	378.20	3.37	-37.20
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025552206	0	39	-1.0	-47.19	340.78	1.34	-45.85
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC(Br)=C2)C1	REAL300025552207	0	35	-1.0	-45.07	321.63	2.64	-42.43
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=C(F)C=C1	REAL300025552208	0	32	-1.0	-41.68	310.90	3.61	-38.07
CCS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)CC1	REAL300025552209	0	48	-1.0	-39.86	389.59	1.65	-38.21
CC1=CC=CC=C1C(CC(=O)NCC1=NC(=O)O[N-]1)NC(N)=O	REAL300025552210	0	39	-1.0	-40.35	324.05	-1.13	-41.48
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Br)C1	REAL300025552211	0	35	-1.0	-40.42	328.81	3.20	-37.22
CCCC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025552212	0	44	-1.0	-39.47	364.29	4.19	-35.28
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL300025552213	0	37	-1.0	-38.50	307.94	-0.27	-38.77
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300025552214	0	46	-1.0	-39.82	376.18	0.28	-39.54
CC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC=C1Br	REAL300025552215	0	38	-1.0	-38.57	339.43	3.17	-35.40
CCCCC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025552216	0	47	-1.0	-39.46	385.79	4.97	-34.49
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025552217	0	40	-1.0	-39.81	340.18	4.01	-35.80
CN1C(=O)NC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025552218	0	39	-1.0	-40.84	338.44	1.92	-38.92
CCN1C(=O)NC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025552219	0	42	-1.0	-40.89	360.25	2.86	-38.03
CCN1C(=O)NC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C(C)C)N=C21	REAL300025552220	0	44	-1.0	-40.90	370.61	2.66	-38.24
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1	REAL300025552221	0	42	-1.0	-40.79	345.50	3.89	-36.90
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552222	0	32	-1.0	-43.44	294.03	1.91	-41.53
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)CCC(=O)C1=CC=CS1	REAL300025552223	0	37	-1.0	-39.91	343.27	2.95	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)NC1=O	REAL300025552224	0	31	-1.0	-43.14	279.30	-1.22	-44.36
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1C	REAL300025552225	0	35	-1.0	-39.24	311.43	1.39	-37.85
N#CC1=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)OC(C2=CC=CO2)=N1	REAL300025552226	0	43	-1.0	-41.56	376.46	-1.34	-42.90
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025552227	0	40	-1.0	-37.63	344.80	4.26	-33.37
CC1=CC=CC(C(CC(=O)NCC2=NC(=O)O[N-]2)NC(N)=O)=C1	REAL300025552228	0	39	-1.0	-43.85	339.00	-0.69	-44.54
N#CCCN1C=C(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025552229	0	43	-1.0	-43.47	393.80	4.99	-38.48
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=N1	REAL300025552230	0	37	-1.0	-43.59	318.88	3.92	-39.67
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=NC=CS1	REAL300025552231	0	34	-1.0	-41.67	310.34	2.96	-38.71
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CN=C1	REAL300025552232	0	37	-1.0	-40.88	319.38	3.08	-37.80
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CC=N1	REAL300025552233	0	40	-1.0	-45.29	340.95	3.84	-41.45
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552234	0	38	-2.0	-93.91	366.25	0.68	-93.23
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552235	0	43	-1.0	-48.61	358.06	2.32	-46.29
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025552236	0	37	-1.0	-40.15	319.06	3.34	-36.81
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025552237	0	40	-1.0	-37.27	335.07	3.81	-33.46
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025552238	0	37	-1.0	-39.93	335.41	3.85	-36.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025552239	0	34	-1.0	-38.44	313.74	3.13	-35.31
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCCCC	REAL300025552240	0	50	-1.0	-37.06	409.45	5.25	-31.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCCC2=O)C=C1	REAL300025552241	0	41	-1.0	-41.70	341.53	3.41	-38.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1	REAL300025552242	0	40	-1.0	-44.94	363.17	2.51	-42.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300025552243	0	44	-1.0	-46.93	358.89	3.31	-43.62
CCN(CC)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552244	0	45	-1.0	-43.47	348.83	2.02	-41.45
CN1C=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025552245	0	32	-1.0	-44.04	304.39	-4.87	-48.91
CC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)C2=C1	REAL300025552246	0	31	-1.0	-36.68	290.92	2.18	-34.50
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=N1	REAL300025552247	0	42	-1.0	-37.32	363.59	4.63	-32.69
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025552248	0	36	-1.0	-41.44	313.39	3.22	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)NC2CC2)CC1	REAL300025552249	0	40	-1.0	-40.92	328.01	0.73	-40.19
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300025552250	0	33	-1.0	-42.19	328.45	3.05	-39.14
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552251	0	44	-1.0	-46.73	377.25	4.12	-42.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CCCC2=C1	REAL300025552252	0	35	-1.0	-39.54	296.51	1.17	-38.37
COC1=CC=C(OC2=CC=C([N+](=O)[O-])C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552253	0	41	-1.0	-42.52	365.30	5.00	-37.52
O=C(CC1=CSC(NC(=O)CC2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552254	0	37	-1.0	-44.28	356.10	1.77	-42.51
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552254	1	36	-2.0	-88.17	352.79	0.65	-87.52
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC2=CC=CC=C2)=N1	REAL300025552255	0	36	-1.0	-36.85	328.64	3.30	-33.55
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C2N1	REAL300025552256	0	34	-1.0	-40.37	318.48	2.88	-37.49
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552257	0	36	-1.0	-42.11	323.05	3.46	-38.65
CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552258	0	44	-1.0	-38.12	360.05	3.95	-34.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(Br)C=N2)C=C1	REAL300025552259	0	31	-1.0	-37.18	301.09	2.89	-34.29
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)[N-]1	REAL300025552260	0	40	-2.0	-89.44	360.82	2.13	-87.31
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N1	REAL300025552260	1	41	-1.0	-52.90	362.83	2.23	-50.67
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL300025552261	0	41	-1.0	-39.06	327.20	2.05	-37.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025552262	0	33	-1.0	-41.88	307.66	2.82	-39.06
CC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025552263	0	43	-1.0	-39.00	349.45	4.42	-34.58
O=C(COC1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025552264	0	31	-1.0	-42.09	292.14	2.67	-39.42
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=N1	REAL300025552265	0	32	-1.0	-40.17	308.05	0.02	-40.15
CN(C)S(=O)(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552266	0	33	-1.0	-42.00	305.94	-3.24	-45.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2O1	REAL300025552267	0	27	-1.0	-36.35	273.63	2.07	-34.28
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552268	0	38	-1.0	-42.66	332.35	-2.64	-45.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552268	1	37	-2.0	-87.25	336.83	-2.77	-90.02
CC1=NC2=CC(F)=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552269	0	32	-1.0	-34.60	285.29	2.10	-32.50
CC(C)NS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552270	0	38	-1.0	-44.63	342.48	-1.21	-45.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL300025552271	0	29	-1.0	-49.77	283.84	1.78	-47.99
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300025552272	0	31	-1.0	-43.05	288.91	2.27	-40.78
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025552273	0	31	-1.0	-36.14	307.52	2.34	-33.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=C(C)C(C)=NN(C)C2=O)=N1	REAL300025552274	0	41	-1.0	-45.27	357.53	1.47	-43.80
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(=O)NN(C)C2=N1	REAL300025552275	0	33	-1.0	-45.81	292.61	0.46	-45.35
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025552276	0	39	-1.0	-41.10	344.59	4.33	-36.77
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025552277	0	39	-1.0	-40.88	324.61	3.61	-37.27
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552278	0	47	-1.0	-44.08	396.29	2.66	-41.42
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552279	0	29	-1.0	-42.87	284.39	-4.73	-47.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552279	1	28	-2.0	-86.36	281.38	-5.18	-91.54
O=C(CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025552280	0	38	-1.0	-41.43	356.27	2.47	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300025552281	0	38	-1.0	-39.86	345.55	2.88	-36.98
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL300025552282	0	31	-1.0	-41.05	288.79	0.04	-41.01
COC1=NN(C)C2=NC(C)=C(CCC(=O)NCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025552283	0	45	-1.0	-40.45	375.40	0.66	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300025552284	0	38	-1.0	-47.23	339.59	3.12	-44.11
CC(C)NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025552285	0	38	-1.0	-40.21	330.69	-1.70	-41.91
O=C(NCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300025552286	0	41	-1.0	-42.21	354.32	-0.87	-43.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025552287	0	37	-1.0	-40.01	316.41	3.56	-36.45
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C(C)=C1	REAL300025552288	0	36	-1.0	-38.47	316.50	3.01	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300025552289	0	28	-1.0	-35.09	286.25	2.02	-33.07
CC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025552290	0	33	-1.0	-46.24	313.86	1.55	-44.69
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025552291	0	34	-1.0	-42.94	316.90	-3.72	-46.66
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OC(F)F	REAL300025552292	0	34	-1.0	-38.36	298.29	2.04	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL300025552293	0	38	-1.0	-36.85	315.62	3.26	-33.59
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025552294	0	44	-1.0	-46.38	362.85	3.86	-42.52
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552295	0	39	-1.0	-41.94	351.17	0.24	-41.70
CCNS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552296	0	39	-1.0	-41.99	353.25	-0.74	-42.73
CC1=CC=CC(NC(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552297	0	36	-1.0	-39.90	316.26	-0.55	-40.45
NS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025552298	0	29	-1.0	-44.12	292.39	-4.16	-48.28
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(C(F)(F)F)C=C2S1	REAL300025552299	0	30	-1.0	-35.67	311.90	3.94	-31.73
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2)=NO1	REAL300025552300	0	33	-1.0	-37.20	307.30	3.07	-34.13
CC1=CC(C)=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C(C)=C1	REAL300025552301	0	44	-1.0	-44.40	366.28	5.13	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CCCC1	REAL300025552302	0	37	-1.0	-35.92	299.99	4.39	-31.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C=C1	REAL300025552303	0	33	-1.0	-41.46	301.41	1.30	-40.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300025552304	0	31	-1.0	-38.54	300.62	3.88	-34.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025552305	0	38	-1.0	-38.77	347.15	2.93	-35.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=NC=C2)C=C1	REAL300025552306	0	38	-1.0	-41.67	351.05	-0.89	-42.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025552306	1	37	-2.0	-80.56	344.70	-0.75	-81.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)O1	REAL300025552307	0	37	-1.0	-42.82	336.14	-3.34	-46.16
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025552308	0	39	-1.0	-42.89	341.85	2.09	-40.80
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300025552309	0	30	-1.0	-40.87	296.36	2.58	-38.29
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552310	0	47	-1.0	-41.48	383.96	4.68	-36.80
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1	REAL300025552311	0	41	-1.0	-48.66	351.65	3.96	-44.70
CC(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552312	0	37	-1.0	-41.85	317.49	1.41	-40.44
O=C(COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)NCC1=NC(=O)O[N-]1	REAL300025552313	0	39	-1.0	-48.71	350.67	1.64	-47.07
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC=C2OC(F)F)C1	REAL300025552314	0	45	-1.0	-40.46	377.51	2.65	-37.81
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552315	0	41	-1.0	-39.84	358.58	-0.48	-40.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=C(Br)C=C2N1	REAL300025552316	0	28	-1.0	-34.11	282.66	1.67	-32.44
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025552317	0	33	-1.0	-37.95	301.19	2.73	-35.22
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL300025552318	0	35	-1.0	-45.61	320.44	-0.55	-46.16
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552319	0	41	-1.0	-38.92	345.45	5.65	-33.27
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552320	0	35	-1.0	-46.74	327.03	1.56	-45.18
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300025552321	0	31	-1.0	-50.07	287.00	2.36	-47.71
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCOCC1	REAL300025552322	0	38	-1.0	-36.28	305.33	1.96	-34.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300025552323	0	31	-1.0	-37.72	312.53	4.36	-33.36
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552324	0	36	-1.0	-42.16	311.92	1.30	-40.86
CC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)O1	REAL300025552325	0	33	-1.0	-38.71	310.13	1.52	-37.19
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300025552326	0	37	-1.0	-39.41	324.97	0.80	-38.61
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300025552327	0	36	-1.0	-47.54	327.28	3.53	-44.01
CC(C)(C)C1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025552328	0	40	-1.0	-41.47	341.94	0.52	-40.95
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=C(C(C)(C)C)C=C1	REAL300025552329	0	50	-1.0	-38.16	405.33	6.45	-31.71
CN1C2=CC=CC=C2C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552330	0	31	-1.0	-38.87	299.53	3.05	-35.82
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL300025552331	0	34	-1.0	-45.53	315.44	-2.33	-47.86
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025552332	0	29	-1.0	-40.72	280.80	-3.95	-44.67
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(C1CC1)=NN2C1=CC=CC=C1	REAL300025552333	0	43	-1.0	-40.67	375.99	5.93	-34.74
COC1=CC=C(C2=NOC(CCCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025552334	0	42	-1.0	-43.43	368.99	1.27	-42.16
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)N2CCCC2)C1	REAL300025552335	0	43	-1.0	-37.18	336.58	1.56	-35.62
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552336	0	31	-1.0	-38.95	295.23	2.96	-35.99
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300025552337	0	33	-1.0	-56.27	310.71	2.87	-53.40
CC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025552338	0	30	-1.0	-45.55	292.84	0.72	-44.83
CCOC1=CC(C#N)=CC(Br)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552339	0	36	-1.0	-40.22	350.87	3.46	-36.76
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300025552340	0	41	-1.0	-46.56	334.28	4.79	-41.77
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552341	0	36	-1.0	-42.08	332.58	3.37	-38.71
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552342	0	36	-1.0	-42.41	309.98	1.18	-41.23
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1F	REAL300025552343	0	34	-1.0	-40.93	311.77	2.87	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300025552344	0	35	-1.0	-39.42	322.60	3.40	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300025552345	0	31	-2.0	-78.68	286.47	-3.70	-82.38
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300025552346	0	33	-1.0	-42.41	311.71	2.53	-39.88
CC(C)NC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552347	0	39	-1.0	-48.09	334.47	0.22	-47.87
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CC=C2Cl)=C1	REAL300025552348	0	38	-1.0	-49.61	354.53	3.38	-46.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Br)=C2)N=C1	REAL300025552349	0	34	-1.0	-37.08	329.09	2.00	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300025552350	0	30	-1.0	-44.02	305.12	2.37	-41.65
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL300025552351	0	38	-1.0	-37.74	347.93	2.89	-34.85
O=C(CS(=O)(=O)C1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025552352	0	30	-1.0	-44.59	306.03	-0.62	-45.21
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552353	0	41	-1.0	-34.25	343.77	1.69	-32.56
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552354	0	41	-1.0	-34.38	338.91	1.48	-32.90
COC1=CC(C(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CC(OC)=C1	REAL300025552355	0	49	-1.0	-44.49	396.05	1.44	-43.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=CC(Br)=C1	REAL300025552356	0	34	-1.0	-41.57	327.09	3.19	-38.38
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=CC=C1OC(F)F	REAL300025552357	0	42	-1.0	-45.03	357.07	2.29	-42.74
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552358	0	47	-1.0	-34.04	375.35	3.06	-30.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2=CC=CC=C2F)C1	REAL300025552359	0	43	-1.0	-43.80	357.24	2.83	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1Br	REAL300025552360	0	31	-1.0	-48.49	306.19	2.99	-45.50
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300025552361	0	45	-1.0	-40.09	376.51	3.94	-36.15
O=C(CCNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025552362	0	38	-1.0	-41.69	339.14	0.44	-41.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025552363	0	37	-1.0	-40.28	322.95	3.14	-37.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1	REAL300025552364	0	24	-1.0	-33.80	248.83	1.74	-32.06
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C2=CC=CC=C2N1	REAL300025552365	0	28	-1.0	-36.66	273.26	1.61	-35.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SCC1=CC=C(F)C=C1	REAL300025552366	0	37	-1.0	-38.87	342.30	4.49	-34.38
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2F)=N1)NCC1=NC(=O)O[N-]1	REAL300025552367	0	37	-1.0	-46.43	345.77	2.05	-44.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300025552368	0	38	-1.0	-40.13	350.24	4.67	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300025552369	0	34	-1.0	-39.10	299.75	4.53	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300025552370	0	37	-1.0	-40.14	338.44	5.53	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCCCC1	REAL300025552371	0	38	-1.0	-38.69	313.45	2.62	-36.07
O=C(CS(=O)(=O)CC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552372	0	33	-1.0	-50.05	329.94	0.30	-49.75
O=C(CN1C=NC2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025552373	0	32	-1.0	-44.44	312.67	2.83	-41.61
COC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025552374	0	41	-1.0	-38.88	363.62	1.80	-37.08
CC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025552375	0	33	-1.0	-42.48	299.82	1.42	-41.06
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025552376	0	40	-1.0	-39.97	340.98	3.73	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)NC2=CC=CC=C2F)=CN1	REAL300025552377	0	37	-1.0	-41.25	346.98	-1.22	-42.47
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025552378	0	41	-1.0	-42.73	351.70	2.93	-39.80
O=C(CC1=CC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025552379	0	33	-1.0	-46.20	296.11	0.79	-45.41
O=C(CN1C(=O)COC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552380	0	33	-1.0	-41.62	313.54	1.12	-40.50
CC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2C=C1	REAL300025552381	0	32	-1.0	-51.29	284.82	1.87	-49.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300025552382	0	30	-1.0	-37.27	287.92	1.96	-35.31
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025552383	0	43	-1.0	-39.96	362.47	4.50	-35.46
O=C(CCOC1=CC=C(F)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025552384	0	31	-1.0	-36.69	298.21	1.93	-34.76
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025552385	0	30	-1.0	-41.71	290.32	-0.74	-42.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300025552386	0	30	-1.0	-36.67	286.20	2.11	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)N2CCCC2)CC1	REAL300025552387	0	43	-1.0	-44.00	336.06	1.39	-42.61
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025552388	0	40	-1.0	-42.89	351.97	1.46	-41.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2O1	REAL300025552389	0	27	-1.0	-40.97	273.66	2.07	-38.90
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300025552390	0	38	-1.0	-50.88	336.88	4.20	-46.68
CC(C)CC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552391	0	44	-1.0	-38.27	368.54	5.05	-33.22
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NCC1=NC(=O)O[N-]1	REAL300025552392	0	32	-1.0	-44.52	302.48	1.99	-42.53
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025552393	0	39	-1.0	-50.99	351.64	1.24	-49.75
COC1=CC=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025552394	0	35	-1.0	-44.05	307.21	1.07	-42.98
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NC=CC=N2)CC1	REAL300025552395	0	37	-1.0	-40.29	309.45	1.85	-38.44
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552396	0	38	-1.0	-41.19	328.72	4.63	-36.56
CCNS(=O)(=O)C1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025552397	0	43	-1.0	-44.69	373.66	-0.90	-45.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300025552398	0	33	-1.0	-39.01	307.13	4.19	-34.82
O=C(CCN1C(=O)COC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552399	0	36	-1.0	-39.19	334.56	1.58	-37.61
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(S(N)(=O)=O)=C(C)O1	REAL300025552400	0	32	-1.0	-44.41	301.27	-4.40	-48.81
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300025552401	0	47	-1.0	-39.99	387.91	6.90	-33.09
CCC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025552402	0	34	-1.0	-37.52	310.15	3.42	-34.10
CC(OC1=CC=C2CCCC2=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552403	0	38	-1.0	-38.66	316.83	4.13	-34.53
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025552404	0	38	-1.0	-41.63	345.95	2.02	-39.61
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1	REAL300025552405	0	41	-1.0	-43.89	356.65	5.25	-38.64
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552406	0	31	-1.0	-39.90	302.51	3.23	-36.67
CC(OC1=CC=C(F)C=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552407	0	31	-1.0	-37.88	298.14	2.94	-34.94
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025552408	0	35	-1.0	-43.50	330.45	0.96	-42.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(I)=C1	REAL300025552409	0	24	-1.0	-34.78	263.26	2.59	-32.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1I	REAL300025552410	0	24	-1.0	-35.52	259.59	2.64	-32.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1I	REAL300025552411	0	26	-1.0	-38.77	271.06	2.79	-35.98
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025552412	0	27	-1.0	-37.11	260.42	2.66	-34.45
CC1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552413	0	40	-1.0	-39.73	375.35	4.83	-34.90
CC(C)NS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552414	0	42	-1.0	-41.83	372.45	-0.10	-41.93
O=C(C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552415	0	40	-1.0	-41.92	364.61	0.08	-41.84
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552416	0	42	-1.0	-41.85	374.73	0.03	-41.82
CC(OC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552417	0	55	-1.0	-37.23	409.22	7.54	-29.69
COC1=CC(OC)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1OC	REAL300025552418	0	40	-1.0	-40.91	347.03	-0.39	-41.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1I	REAL300025552419	0	24	-1.0	-33.90	249.26	2.19	-31.71
COC1=CC=CC(COC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552420	0	38	-1.0	-41.61	329.52	2.11	-39.50
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025552421	0	38	-1.0	-44.54	340.19	-0.72	-45.26
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025552422	0	39	-1.0	-42.81	343.84	1.80	-41.01
N#CC1=CC=CC=C1COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552423	0	39	-1.0	-41.52	349.77	4.74	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=C(Br)C=C1	REAL300025552424	0	34	-1.0	-40.23	327.09	3.19	-37.04
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1F	REAL300025552425	0	41	-1.0	-53.78	356.21	4.03	-49.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL300025552426	0	33	-1.0	-44.28	289.66	1.13	-43.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300025552427	0	33	-1.0	-39.59	310.30	2.88	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL300025552428	0	34	-1.0	-51.38	293.58	-0.21	-51.59
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025552429	0	36	-1.0	-41.19	311.16	2.50	-38.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1	REAL300025552430	0	38	-1.0	-46.24	337.68	-0.00	-46.24
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300025552431	0	37	-1.0	-40.34	317.32	4.82	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=C(Cl)C=C2S1	REAL300025552432	0	27	-1.0	-35.18	301.12	3.80	-31.38
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300025552433	0	29	-1.0	-37.02	271.74	-3.47	-40.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)N1	REAL300025552434	0	22	-1.0	-33.10	246.56	-0.17	-33.27
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CS1	REAL300025552435	0	39	-1.0	-43.28	338.28	0.71	-42.57
C=CCNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025552436	0	36	-1.0	-40.02	329.76	-1.63	-41.65
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552437	0	31	-1.0	-36.83	291.75	1.52	-35.31
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025552438	0	38	-1.0	-38.68	329.45	3.46	-35.22
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552439	0	40	-1.0	-40.56	347.51	3.87	-36.69
N#CC1=CC=C(CSCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552440	0	32	-1.0	-40.25	311.03	3.49	-36.76
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300025552441	0	38	-1.0	-46.54	335.02	0.39	-46.15
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025552441	1	37	-2.0	-94.78	333.06	-0.62	-95.40
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552442	0	50	-1.0	-37.56	400.47	4.48	-33.08
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025552443	0	32	-1.0	-41.30	289.51	0.55	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025552444	0	33	-1.0	-47.99	318.74	3.08	-44.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL300025552445	0	33	-1.0	-51.73	289.87	1.12	-50.61
CC1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552446	0	40	-1.0	-40.48	375.54	5.06	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(=O)NC(=O)N2CC1=CC=CC=C1	REAL300025552447	0	42	-1.0	-37.02	369.37	2.58	-34.44
CC1=NN(C2=CC=C(CC(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025552448	0	40	-1.0	-42.99	344.87	3.92	-39.07
CCOC1=CC=CC2=C1OCC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025552449	0	37	-1.0	-41.56	318.14	2.32	-39.24
CC1=C(C2=CC=C(F)C=C2)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025552450	0	37	-1.0	-42.55	337.56	3.13	-39.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300025552451	0	37	-1.0	-41.94	335.85	5.72	-36.22
COC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552452	0	35	-1.0	-39.42	309.85	0.68	-38.74
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(OC)=C1	REAL300025552453	0	39	-1.0	-39.81	339.28	-0.03	-39.84
COC1=CC(C#N)=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552454	0	39	-1.0	-42.70	347.15	2.44	-40.26
COCCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025552455	0	41	-1.0	-39.91	359.46	0.91	-39.00
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552456	0	34	-1.0	-39.77	327.35	1.36	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300025552457	0	29	-1.0	-36.68	280.46	2.12	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL300025552458	0	34	-1.0	-38.67	308.67	-0.24	-38.91
CCOC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552459	0	38	-1.0	-39.39	331.71	1.61	-37.78
O=C(CCCOC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552460	0	40	-1.0	-40.65	342.15	4.46	-36.19
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552461	0	48	-1.0	-36.79	385.86	4.83	-31.96
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025552462	0	36	-1.0	-37.21	304.85	1.27	-35.94
COC1=CC=C2C(=C1)C=CN2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552463	0	35	-1.0	-41.10	308.46	2.49	-38.61
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CC(F)=C2)=C1	REAL300025552464	0	38	-1.0	-49.29	348.42	2.94	-46.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300025552465	0	28	-1.0	-35.33	286.64	1.93	-33.40
CC(OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)C1=CC=CC=C1	REAL300025552466	0	40	-1.0	-37.06	349.10	2.64	-34.42
CC1=CC=C(C)N1C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552467	0	37	-1.0	-43.73	327.68	4.10	-39.63
O=C(CCSC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025552468	0	31	-1.0	-36.94	305.14	3.55	-33.39
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025552469	0	33	-1.0	-35.65	297.67	3.26	-32.39
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552470	0	43	-1.0	-46.09	368.99	2.53	-43.56
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300025552471	0	38	-1.0	-45.62	334.30	0.34	-45.28
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300025552471	1	37	-2.0	-93.32	333.24	-0.63	-93.95
CC1=C(C(=O)NC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=CO1	REAL300025552472	0	37	-1.0	-43.71	342.88	0.75	-42.96
O=C(CCS(=O)(=O)C1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025552473	0	36	-1.0	-42.39	314.19	-0.78	-43.17
N#CC1=CC=C(CS(=O)(=O)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552474	0	34	-1.0	-52.47	329.50	0.07	-52.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025552475	0	35	-2.0	-88.48	341.60	-0.00	-88.48
CC(C)C1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552476	0	37	-1.0	-36.76	324.46	4.11	-32.65
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=CS1	REAL300025552477	0	21	-1.0	-36.55	230.93	0.67	-35.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300025552478	0	28	-1.0	-34.02	286.69	1.95	-32.07
O=C(NCC1=NC(=O)O[N-]1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300025552479	0	34	-1.0	-38.55	305.47	1.51	-37.04
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552480	0	39	-1.0	-39.61	328.54	5.52	-34.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300025552481	0	34	-1.0	-51.61	297.64	1.82	-49.79
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=NC=C2)C=CS1	REAL300025552482	0	34	-1.0	-38.04	313.84	0.53	-37.51
CC1=NN(C)C2=NC(C)=C(CC(=O)NCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025552483	0	41	-1.0	-42.72	340.49	2.29	-40.43
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)NCC1=NC(=O)O[N-]1	REAL300025552484	0	40	-1.0	-38.71	345.94	5.80	-32.91
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552485	0	36	-1.0	-41.56	320.88	0.09	-41.47
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300025552486	0	27	-1.0	-34.41	272.09	2.34	-32.07
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL300025552487	0	38	-1.0	-38.53	331.90	5.23	-33.30
CN1C(=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025552488	0	33	-1.0	-41.97	283.91	1.83	-40.14
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552489	0	40	-1.0	-40.39	357.83	4.32	-36.07
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL300025552490	0	33	-1.0	-45.06	299.42	1.55	-43.51
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025552491	0	36	-1.0	-37.28	320.31	0.07	-37.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300025552492	0	32	-1.0	-50.02	303.61	3.79	-46.23
COC1=CC=CC=C1OCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552493	0	39	-1.0	-43.95	346.39	2.39	-41.56
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552494	0	38	-1.0	-46.51	342.37	2.56	-43.95
CCCCCCCCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552495	0	62	-1.0	-35.46	486.71	9.67	-25.79
O=C(COC1=CC=C(C(=O)C2=CC=C(Cl)C=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552496	0	40	-1.0	-40.65	367.95	5.39	-35.26
O=C(CCCCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552497	0	36	-1.0	-36.56	331.44	4.72	-31.84
CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552498	0	37	-1.0	-39.11	327.64	-0.08	-39.19
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300025552499	0	41	-1.0	-42.19	369.08	3.65	-38.54
O=C(CCCOC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025552500	0	34	-1.0	-40.21	317.53	2.80	-37.41
COC1=CC=CC(CC(C(=O)NCC2=NC(=O)O[N-]2)N2N=NN=C2C)=C1	REAL300025552501	0	42	-1.0	-46.86	365.46	1.79	-45.07
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552502	0	38	-1.0	-43.43	342.37	2.56	-40.87
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL300025552503	0	38	-1.0	-37.91	333.49	2.14	-35.77
O=C(NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025552504	0	38	-1.0	-40.33	351.15	2.18	-38.15
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552505	0	39	-1.0	-42.50	344.82	-1.22	-43.72
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=C2NC=NC2=NC=N1	REAL300025552506	0	33	-1.0	-44.02	287.29	0.56	-43.46
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=C2N=CNC2=NC=N1	REAL300025552506	1	33	-1.0	-43.79	288.88	0.70	-43.09
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=C2N=CN=C2NC=N1	REAL300025552506	1	33	-1.0	-49.31	292.42	2.45	-46.86
O=C(NCC1=NC(=O)O[N-]1)C1=NC(N2CCOCC2)=NC=C1Cl	REAL300025552507	0	35	-1.0	-37.88	314.59	0.03	-37.85
O=C(NCC1=NC(=O)O[N-]1)C1=NC(NCC2=CC=CO2)=NC=C1Cl	REAL300025552508	0	34	-1.0	-39.26	325.36	2.09	-37.17
CC1=CC=C(S(=O)(=O)N2CCN(CC(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025552509	0	47	-1.0	-42.02	395.23	-0.54	-42.56
O=C(COC1=CC2=CC=C(Br)C=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025552510	0	34	-1.0	-38.87	321.93	4.49	-34.38
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552511	0	33	-1.0	-46.20	308.75	2.36	-43.84
O=C(CCOC1=CC=C(F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552512	0	31	-1.0	-35.74	298.05	1.99	-33.75
O=C(CCOC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552513	0	31	-1.0	-36.33	308.38	2.44	-33.89
CC(C)C(=O)NC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552514	0	36	-1.0	-42.67	325.42	0.33	-42.34
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552514	1	35	-2.0	-87.89	323.14	-0.78	-88.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025552515	0	40	-1.0	-47.38	363.18	2.50	-44.88
CC1=CC=C(S(=O)(=O)CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025552516	0	43	-1.0	-46.42	384.60	3.18	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300025552517	0	37	-1.0	-41.40	327.21	2.54	-38.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300025552518	0	34	-1.0	-37.90	307.77	1.38	-36.52
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(Br)=C1	REAL300025552519	0	24	-1.0	-36.38	244.94	0.46	-35.92
O=C(CCCN1C=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552520	0	36	-1.0	-44.04	315.99	4.11	-39.93
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552521	0	37	-1.0	-43.54	346.84	1.49	-42.05
CCCCS(=O)(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552522	0	41	-1.0	-48.50	347.32	0.68	-47.82
CCCCS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552523	0	44	-1.0	-44.96	365.70	0.19	-44.77
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552524	0	38	-1.0	-44.86	324.45	3.99	-40.87
CC(C)(C)N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL300025552525	0	40	-1.0	-42.93	329.41	2.52	-40.41
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC(Br)=CC=C2N1	REAL300025552526	0	28	-1.0	-34.94	290.81	2.13	-32.81
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL300025552527	0	28	-1.0	-35.57	275.72	1.56	-34.01
O=C(COC1=CC=C(Cl)C=C1C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025552528	0	44	-1.0	-37.57	371.64	5.99	-31.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1C1=CC=CC(C(F)(F)F)=C1	REAL300025552529	0	37	-1.0	-40.29	340.89	5.70	-34.59
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1	REAL300025552530	0	38	-1.0	-37.14	339.93	2.21	-34.93
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NN2C2=CC=CC=C2)C=C1	REAL300025552531	0	45	-1.0	-44.14	386.06	4.53	-39.61
O=C(CCNC(=O)NC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552532	0	36	-1.0	-44.01	338.29	0.03	-43.98
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2	REAL300025552533	0	38	-1.0	-41.38	342.31	4.15	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL300025552534	0	35	-1.0	-46.04	303.85	4.03	-42.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300025552535	0	31	-1.0	-37.95	298.82	2.73	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F	REAL300025552536	0	41	-1.0	-37.67	348.99	6.27	-31.40
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)NC(C)C	REAL300025552537	0	45	-1.0	-45.74	382.37	1.30	-44.44
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552538	0	43	-1.0	-37.79	352.40	4.83	-32.96
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552539	0	43	-1.0	-38.13	347.48	4.55	-33.58
CC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025552540	0	34	-1.0	-39.09	313.13	3.54	-35.55
CC1=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025552541	0	43	-1.0	-37.90	349.74	4.65	-33.25
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552542	0	37	-1.0	-38.68	345.21	3.72	-34.96
CC(C)OC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552543	0	38	-1.0	-37.76	324.85	3.10	-34.66
CCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552544	0	38	-1.0	-37.54	328.43	3.28	-34.26
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300025552545	0	31	-1.0	-37.84	303.39	2.84	-35.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(Br)C=C2)O1	REAL300025552546	0	35	-1.0	-39.70	338.43	3.11	-36.59
CC(C)C1=CC=C(C(=O)NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CS2)C=C1	REAL300025552547	0	44	-1.0	-37.85	379.96	4.30	-33.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC(Br)=C2)O1	REAL300025552548	0	35	-1.0	-40.89	338.43	3.12	-37.77
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025552549	0	33	-1.0	-46.68	293.25	-0.81	-47.49
O=C(CNC(=O)CC1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025552550	0	34	-1.0	-40.13	311.13	0.29	-39.84
O=C(COC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552551	0	31	-1.0	-37.64	293.38	2.62	-35.02
CCOC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025552552	0	38	-1.0	-43.67	340.87	5.01	-38.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Br)C=C2)N=C1	REAL300025552553	0	34	-1.0	-36.69	329.07	2.00	-34.69
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=CN=C2)SC2=C1CCCC2	REAL300025552554	0	44	-1.0	-41.77	384.26	2.87	-38.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC3=CC=CC=C3O2)=C1	REAL300025552555	0	43	-1.0	-54.07	372.11	3.89	-50.18
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552556	0	31	-1.0	-48.82	301.11	0.04	-48.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=NC=CC=N2)=N1	REAL300025552557	0	31	-1.0	-42.30	296.87	-0.07	-42.37
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC1CCCC1	REAL300025552558	0	42	-1.0	-37.51	344.31	3.13	-34.38
O=C(CSC1=NN=C(C2=CC3=CC=CC=C3C=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025552559	0	39	-1.0	-40.34	365.00	0.55	-39.79
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552560	0	31	-1.0	-36.32	304.00	3.17	-33.15
CN1C=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=N1	REAL300025552561	0	30	-1.0	-46.47	293.06	-0.37	-46.84
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Br)C1=O	REAL300025552562	0	35	-1.0	-45.53	327.44	3.34	-42.19
O=C(CN1C=C(Br)C=N1)NCC1=NC(=O)O[N-]1	REAL300025552563	0	24	-1.0	-40.58	247.65	-0.23	-40.81
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025552564	0	35	-1.0	-43.56	319.02	4.10	-39.46
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL300025552565	0	39	-1.0	-39.34	336.25	2.17	-37.17
CC1=CC(C)=C(C(=O)CCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025552566	0	44	-1.0	-42.76	371.77	5.06	-37.70
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)=C1	REAL300025552567	0	40	-1.0	-37.07	331.00	4.64	-32.43
CC1=C(C)C2=C(SCCC(=O)NCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025552568	0	38	-1.0	-40.99	348.31	3.52	-37.47
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025552569	0	36	-1.0	-37.52	317.05	0.58	-36.94
CC(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025552570	0	33	-1.0	-42.70	308.00	-0.13	-42.83
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300025552571	0	33	-1.0	-40.95	299.35	0.89	-40.06
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552572	0	38	-1.0	-40.97	323.52	2.34	-38.63
CC(SC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552573	0	31	-1.0	-35.74	304.15	3.28	-32.46
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025552574	0	33	-1.0	-42.75	301.64	2.80	-39.95
CCOC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025552575	0	35	-1.0	-38.05	306.14	1.20	-36.85
CC1=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025552576	0	34	-1.0	-36.68	307.54	3.30	-33.38
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300025552577	0	35	-1.0	-43.91	319.30	2.80	-41.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CC(Br)=C1	REAL300025552578	0	35	-1.0	-41.43	330.66	5.75	-35.68
COC1=CC(NC(=O)C(C)(C)C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025552579	0	48	-1.0	-37.73	389.14	1.67	-36.06
O=C(CCCOCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025552580	0	40	-1.0	-38.23	344.17	3.38	-34.85
CCCS(=O)(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552581	0	41	-1.0	-42.64	334.50	0.19	-42.45
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025552582	0	32	-1.0	-40.50	318.33	3.55	-36.95
O=C(CCNC(=O)C1=CC(F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025552583	0	34	-1.0	-42.51	324.90	0.86	-41.65
CC1=CC=C(C(C)C)C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552584	0	43	-1.0	-38.28	352.14	4.84	-33.44
CC1=CC=C(Cl)C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552585	0	34	-1.0	-39.27	309.56	3.41	-35.86
CC(C)C1=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1	REAL300025552586	0	40	-1.0	-37.71	331.51	4.14	-33.57
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Br)=C1	REAL300025552587	0	38	-1.0	-39.94	349.04	5.62	-34.32
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1Br	REAL300025552588	0	38	-1.0	-41.52	349.09	5.86	-35.66
CC1=CC(C(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)=CC(C)=C1	REAL300025552589	0	47	-1.0	-45.22	381.58	4.18	-41.04
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552590	0	35	-1.0	-44.78	323.28	-1.85	-46.63
COC1=CC=C2OC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025552591	0	34	-1.0	-42.55	303.88	1.40	-41.15
CNS(=O)(=O)C1=CC=C(C2=CC=CS2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552592	0	39	-1.0	-45.64	361.68	-0.01	-45.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C2=C1CCCCC2	REAL300025552593	0	44	-1.0	-42.66	370.04	5.36	-37.30
COC(=O)C1=C(CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025552594	0	41	-1.0	-45.42	372.30	4.69	-40.73
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552595	0	36	-1.0	-47.11	337.36	2.92	-44.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL300025552596	0	38	-1.0	-37.13	342.54	5.94	-31.19
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025552597	0	30	-1.0	-39.90	288.60	0.75	-39.15
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300025552598	0	35	-1.0	-38.41	316.64	2.49	-35.92
COC1=CC=C(Cl)C=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552599	0	32	-1.0	-39.32	300.74	2.13	-37.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300025552600	0	30	-1.0	-44.99	280.73	1.75	-43.24
COC1=CC=C(C(=O)CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552601	0	39	-1.0	-45.36	338.17	2.46	-42.90
CC(SC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552602	0	31	-1.0	-37.84	295.72	3.11	-34.73
CC1=NN2C(=C1C(=O)NCC1=NC(=O)O[N-]1)N=C(C)C=C2C	REAL300025552603	0	35	-1.0	-48.52	312.33	1.66	-46.86
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300025552604	0	40	-1.0	-36.27	330.06	4.86	-31.41
CC(=O)NC1=CC=C(SC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552605	0	38	-1.0	-47.37	339.17	1.54	-45.83
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552606	0	31	-1.0	-36.33	312.70	3.64	-32.69
COC1=CC=C(SC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552607	0	35	-1.0	-37.06	312.34	1.95	-35.11
O=C(CCCOC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552608	0	34	-1.0	-37.94	313.85	2.64	-35.30
O=C(CCOC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025552609	0	31	-1.0	-37.09	296.04	2.03	-35.06
O=C(CCOC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552610	0	31	-1.0	-35.51	308.38	2.43	-33.08
CC1=CC=CC(NC(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)=C1	REAL300025552611	0	46	-1.0	-46.70	373.84	3.36	-43.34
O=C(CC1CCCC(C(F)(F)F)C1)NCC1=NC(=O)O[N-]1	REAL300025552612	0	36	-1.0	-35.51	295.94	2.67	-32.84
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552613	0	39	-1.0	-44.27	339.14	3.52	-40.75
O=C(CCC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025552614	0	30	-1.0	-37.08	283.34	2.98	-34.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Cl	REAL300025552615	0	24	-1.0	-34.57	254.94	2.18	-32.39
CC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552616	0	27	-1.0	-34.38	258.48	2.35	-32.03
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025552617	0	33	-1.0	-38.02	320.57	4.29	-33.73
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025552618	0	27	-1.0	-37.68	266.17	0.25	-37.43
CC(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552619	0	39	-1.0	-42.72	334.06	0.25	-42.47
CC1=NC2=CC(F)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N=C1C	REAL300025552620	0	34	-1.0	-41.62	300.35	1.09	-40.53
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025552621	0	36	-1.0	-46.06	322.02	2.14	-43.92
CC(C)N1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025552622	0	38	-1.0	-39.73	341.34	-1.02	-40.75
COCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025552623	0	39	-1.0	-41.97	357.44	-2.24	-44.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3CC3)S(=O)(=O)C2=C1	REAL300025552624	0	36	-1.0	-40.03	330.59	-0.88	-40.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL300025552625	0	32	-1.0	-35.06	300.77	0.77	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300025552626	0	36	-1.0	-44.87	307.27	0.41	-44.46
O=C(CCCNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025552627	0	41	-1.0	-40.62	360.64	1.25	-39.37
O=C(NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CO1	REAL300025552628	0	35	-1.0	-47.06	317.14	1.09	-45.97
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025552629	0	31	-1.0	-42.25	308.13	1.14	-41.11
CC1=NC2=CC(Br)=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552630	0	32	-1.0	-34.60	300.14	2.65	-31.95
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552631	0	46	0.0	-59.92	360.65	3.80	-56.12
COC(=O)C(C)SC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552632	0	37	-1.0	-43.29	330.66	3.56	-39.73
O=C(CCC(=O)C1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025552633	0	32	-1.0	-40.25	298.32	2.51	-37.74
NC(=O)C1=CC=C(CSC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552634	0	41	-1.0	-44.63	370.44	1.20	-43.43
CC(C)OC1=CC=C(NS(=O)(=O)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552635	0	42	-1.0	-44.95	370.95	-1.24	-46.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300025552636	0	47	0.0	-64.87	372.71	2.12	-62.75
COC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025552637	0	48	-1.0	-38.48	374.08	1.08	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300025552638	0	31	-1.0	-37.04	324.71	4.74	-32.30
CCCCC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552639	0	44	-1.0	-38.34	373.25	5.36	-32.98
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025552640	0	38	-1.0	-38.78	341.20	5.40	-33.38
CC(NC(=O)C1=CC=C(Br)S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552641	0	31	-1.0	-36.06	313.43	0.12	-35.94
NS(=O)(=O)C1=CC=C(OCCSCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552642	0	40	-1.0	-44.42	374.30	-2.36	-46.78
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C)=C1C(=O)OC	REAL300025552643	0	40	-1.0	-38.60	346.95	2.30	-36.30
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)O1	REAL300025552644	0	31	-1.0	-41.13	303.01	0.72	-40.41
CN(C)C1=NC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL300025552645	0	31	-1.0	-40.53	302.75	1.44	-39.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC(C)=CC=C1	REAL300025552646	0	36	-1.0	-43.48	314.82	1.86	-41.62
O=C(CCN1C=C(Br)C=N1)NCC1=NC(=O)O[N-]1	REAL300025552647	0	27	-1.0	-36.75	269.83	0.32	-36.43
NC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025552648	0	35	-1.0	-47.06	314.40	-0.09	-47.15
CCN(CC)C1=NC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL300025552649	0	37	-1.0	-40.33	345.47	3.33	-37.00
CCNC1=NC2=NN=C(SCC(=O)NCC3=NC(=O)O[N-]3)N2C(NCC)=N1	REAL300025552650	0	44	-1.0	-43.61	391.05	7.56	-36.05
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)C=C1	REAL300025552651	0	52	-1.0	-37.01	390.22	6.67	-30.34
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCCCC1	REAL300025552652	0	40	-1.0	-35.77	334.62	4.96	-30.81
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)=C1	REAL300025552653	0	43	-1.0	-37.24	335.07	4.98	-32.26
O=C(CCCS(=O)(=O)N1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025552654	0	38	-1.0	-45.69	331.45	-1.28	-46.97
CC(C(=O)N(C)CC(=O)NCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL300025552655	0	37	-1.0	-42.57	316.82	0.05	-42.52
O=C(CCOC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552656	0	48	-1.0	-42.37	392.44	3.51	-38.86
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL300025552657	0	35	-1.0	-39.78	319.84	4.40	-35.38
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552658	0	37	-2.0	-90.45	331.90	-0.19	-90.64
CCC(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552659	0	37	-1.0	-37.64	322.67	-0.05	-37.69
N#CC1=C(N)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025552660	0	34	-1.0	-38.96	312.97	1.64	-37.32
O=C(CC1=CC=C(F)C(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025552661	0	27	-1.0	-37.29	272.76	2.39	-34.90
CC(C)OC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025552662	0	33	-1.0	-34.67	306.28	0.16	-34.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300025552663	0	28	-1.0	-40.43	273.17	0.95	-39.48
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)NCC1=NC(=O)O[N-]1	REAL300025552664	0	38	-1.0	-39.39	333.71	2.35	-37.04
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300025552665	0	31	-1.0	-38.16	298.83	2.73	-35.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CN=C21	REAL300025552666	0	29	-1.0	-43.74	276.91	2.36	-41.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C)C=C1	REAL300025552667	0	36	-1.0	-42.86	316.40	1.90	-40.96
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025552668	0	33	-1.0	-43.78	310.13	1.70	-42.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025552669	0	33	-1.0	-43.34	295.01	1.22	-42.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Br)=C1	REAL300025552670	0	33	-1.0	-43.66	314.69	1.81	-41.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1CCCC1	REAL300025552671	0	37	-1.0	-38.53	317.11	3.57	-34.96
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C(Cl)S1	REAL300025552672	0	29	-1.0	-41.81	292.47	2.31	-39.50
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025552673	0	35	-1.0	-39.85	325.72	-1.59	-41.44
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025552674	0	24	-1.0	-34.73	243.54	-1.28	-36.01
O=C(NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1)NC1CC1	REAL300025552675	0	37	-1.0	-47.90	323.68	0.31	-47.59
CCS(=O)(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025552676	0	38	-1.0	-42.46	322.66	-1.40	-43.86
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2S1	REAL300025552677	0	34	-1.0	-43.33	312.95	2.80	-40.53
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1CCNC1=O	REAL300025552678	0	37	-1.0	-44.97	319.91	0.95	-44.02
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCOCC1	REAL300025552679	0	38	-1.0	-36.12	321.78	2.50	-33.62
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552680	0	41	-1.0	-48.75	359.41	3.32	-45.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C3NC=NC3=C2)=C1	REAL300025552681	0	41	-1.0	-57.30	358.80	2.69	-54.61
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025552682	0	39	-1.0	-45.44	346.63	4.32	-41.12
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025552683	0	36	-1.0	-39.17	328.07	3.05	-36.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(F)C=C21	REAL300025552684	0	30	-1.0	-36.63	281.25	3.14	-33.49
COC1=CC=C(CC(=O)NCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025552685	0	48	-1.0	-43.47	413.12	3.16	-40.31
O=C(CCOC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025552686	0	48	-1.0	-45.29	392.72	3.49	-41.80
CC(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300025552687	0	43	-1.0	-42.11	371.82	3.62	-38.49
O=C(CCCC1=CC=CS1)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552688	0	44	-1.0	-49.91	390.65	4.44	-45.47
COC(=O)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552689	0	34	-1.0	-44.81	306.97	1.97	-42.84
CCC1=CC=C(C(=O)NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CS2)C=C1	REAL300025552690	0	41	-1.0	-38.04	362.69	3.83	-34.21
COC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552691	0	34	-1.0	-41.06	306.89	1.97	-39.09
COC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CC(=O)OC2=C1	REAL300025552692	0	36	-1.0	-43.19	319.89	2.42	-40.77
CSC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL300025552693	0	31	-1.0	-46.30	292.13	2.58	-43.72
O=C(CCNC(=O)OCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025552694	0	31	-1.0	-40.00	298.82	-2.16	-42.16
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC(Br)=CS2)=N1	REAL300025552695	0	27	-1.0	-39.23	301.48	1.50	-37.73
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552696	0	38	-1.0	-43.99	325.98	3.74	-40.25
CC(SC1=NN=NN1C1CC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552697	0	33	-1.0	-38.69	307.71	0.64	-38.05
CCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552698	0	34	-1.0	-40.07	308.52	3.84	-36.23
C=CC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552699	0	35	-1.0	-40.62	315.46	0.60	-40.02
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025552700	0	42	-1.0	-41.33	354.23	1.55	-39.78
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300025552701	0	46	-1.0	-41.55	384.14	6.10	-35.45
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300025552702	0	35	-1.0	-45.99	315.82	2.67	-43.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300025552703	0	37	-1.0	-37.30	330.27	1.77	-35.53
NC(=O)C1CCCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025552704	0	43	-1.0	-45.19	349.72	-1.07	-46.26
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1	REAL300025552705	0	38	-1.0	-39.36	344.19	2.45	-36.91
CC1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1F	REAL300025552706	0	38	-1.0	-39.08	344.74	1.88	-37.20
CC1=CC(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)=CC=C1F	REAL300025552707	0	38	-1.0	-37.73	344.74	1.88	-35.85
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=CC=CO1	REAL300025552708	0	38	-1.0	-47.61	314.09	2.44	-45.17
CCCCCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552709	0	46	-1.0	-37.84	383.10	5.10	-32.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CS1	REAL300025552710	0	32	-1.0	-40.25	295.61	3.47	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300025552711	0	31	-1.0	-40.78	299.23	2.72	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300025552712	0	31	-1.0	-39.48	323.12	4.69	-34.79
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)NCC1=NC(=O)O[N-]1	REAL300025552713	0	38	-1.0	-37.95	329.96	3.84	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300025552714	0	32	-1.0	-36.20	300.97	0.79	-35.41
CC1=CNC(=O)N1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552715	0	35	-1.0	-43.97	313.64	1.92	-42.05
CC1=CC=C(C)C(OCCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552716	0	43	-1.0	-38.20	360.10	4.32	-33.88
CC(C)OC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552717	0	34	-1.0	-37.92	309.50	3.76	-34.16
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300025552718	0	31	-1.0	-40.81	288.91	2.26	-38.55
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025552719	0	40	0.0	-46.39	319.16	3.58	-42.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025552719	1	40	0.0	-48.16	324.93	4.10	-44.06
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=CC=C1	REAL300025552719	1	39	-1.0	-38.67	325.66	2.12	-36.55
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025552720	0	36	-1.0	-46.29	316.97	1.95	-44.34
COC1=CC=C(Cl)C=C1NCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552721	0	36	-1.0	-37.84	325.88	0.57	-37.27
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL300025552722	0	32	-1.0	-36.47	301.23	0.35	-36.12
COC1=CC=C(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025552723	0	35	-1.0	-43.76	311.98	1.50	-42.26
CC(SCC1=NC=C(C2=CC=C(Cl)C=C2)O1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552724	0	40	-1.0	-41.50	380.64	2.65	-38.85
CC1=CC=CC=C1NC1=NC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL300025552725	0	38	-1.0	-40.12	354.14	4.76	-35.36
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025552726	0	36	-1.0	-35.95	319.33	3.97	-31.98
CC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025552727	0	41	-1.0	-36.17	315.69	2.29	-33.88
CC1=CC=CC(OCCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552728	0	40	-1.0	-38.13	340.02	3.58	-34.55
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025552729	0	41	-1.0	-36.02	355.68	1.44	-34.58
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552730	0	41	-1.0	-46.87	346.81	4.18	-42.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1	REAL300025552731	0	41	-1.0	-42.57	353.41	5.27	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL300025552732	0	40	-1.0	-36.79	319.73	4.41	-32.38
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300025552733	0	38	-1.0	-40.01	344.48	5.51	-34.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300025552734	0	34	-1.0	-38.86	320.56	3.22	-35.64
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025552735	0	32	-1.0	-45.42	309.98	-0.76	-46.18
CC(C)(C)C(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025552736	0	43	-1.0	-42.44	332.11	1.53	-40.91
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300025552737	0	27	-1.0	-41.99	297.04	1.49	-40.50
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552738	0	30	-1.0	-41.83	318.07	2.32	-39.51
NC(=O)C1=CC=C(C=CC(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552739	0	46	-1.0	-54.08	391.83	0.60	-53.48
CC(C)(C)OC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552740	0	44	-1.0	-43.79	345.10	2.52	-41.27
CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552741	0	47	-1.0	-38.77	384.66	4.12	-34.65
CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552742	0	40	-1.0	-34.86	321.97	-0.71	-35.57
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025552743	0	38	-1.0	-40.88	331.44	2.68	-38.20
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL300025552744	0	37	-1.0	-41.83	331.05	1.88	-39.95
O=C(NCC1=NC(=O)O[N-]1)C12CCC(=O)N1C1=CC(Cl)=CC=C1S2	REAL300025552745	0	34	-1.0	-41.26	327.66	2.83	-38.43
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL300025552746	0	40	-1.0	-36.26	319.73	4.41	-31.85
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCOCC2)C=C1	REAL300025552747	0	42	-1.0	-37.24	334.15	1.27	-35.97
C=CCOC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025552748	0	31	-1.0	-38.79	297.82	-0.07	-38.86
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL300025552749	0	38	-1.0	-36.75	311.46	2.05	-34.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCOCC1	REAL300025552750	0	38	-1.0	-35.90	311.07	2.03	-33.87
O=C(CSCC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552751	0	31	-1.0	-37.92	320.97	4.04	-33.88
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C(C)C=CC(C)=C12	REAL300025552752	0	36	-1.0	-40.58	306.64	3.26	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=C(Cl)C(Cl)=C1	REAL300025552753	0	35	-1.0	-36.11	333.51	4.83	-31.28
CC(C)C(NC(=O)CC1=CC2=CC=CC=C2C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552754	0	49	-1.0	-40.23	402.12	4.71	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300025552755	0	30	-1.0	-39.55	292.41	2.22	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)(F)F	REAL300025552756	0	27	-1.0	-36.91	271.67	1.30	-35.61
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025552757	0	39	-1.0	-41.16	340.77	1.73	-39.43
O=C(CCSC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552758	0	31	-1.0	-35.40	307.23	3.62	-31.78
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300025552759	0	41	-1.0	-40.36	356.83	2.63	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300025552760	0	35	-1.0	-46.54	305.51	2.22	-44.32
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O	REAL300025552761	0	35	-1.0	-43.51	329.90	3.15	-40.36
CC1=CC(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2=O)=CC(C)=C1	REAL300025552762	0	41	-1.0	-47.51	341.30	3.50	-44.01
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O	REAL300025552763	0	35	-1.0	-45.35	339.49	3.73	-41.62
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300025552764	0	43	-1.0	-44.86	383.74	6.44	-38.42
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025552765	0	43	-1.0	-44.43	394.04	6.88	-37.55
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300025552766	0	46	-1.0	-45.12	395.47	6.92	-38.20
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1F	REAL300025552767	0	43	-1.0	-48.15	384.59	6.50	-41.65
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300025552768	0	43	-1.0	-44.63	394.08	6.89	-37.74
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=N1	REAL300025552769	0	33	-1.0	-42.20	294.77	0.55	-41.65
CC(=O)NC1(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)CCCCCC1	REAL300025552770	0	51	-1.0	-43.62	398.10	1.39	-42.23
CC1=CC=CC(N2CCN(S(=O)(=O)CC(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025552771	0	47	-1.0	-44.39	393.48	-0.41	-44.80
CC1=CSC(C(O)(CC(=O)NCC2=NC(=O)O[N-]2)C(F)(F)F)=N1	REAL300025552772	0	33	-1.0	-36.53	309.21	-1.02	-37.55
O=C(CS(=O)(=O)NC1=CC=C(N2CCCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552773	0	47	-1.0	-43.95	394.14	-0.88	-44.83
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552774	0	39	-1.0	-40.09	349.85	4.73	-35.36
CC(C)OC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552775	0	34	-1.0	-40.21	304.96	3.65	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCOC2=C1	REAL300025552776	0	27	-1.0	-36.24	268.43	0.35	-35.89
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025552777	0	45	-1.0	-40.84	380.71	1.55	-39.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025552778	0	38	-1.0	-37.87	341.99	4.61	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300025552779	0	31	-1.0	-39.04	315.94	3.46	-35.58
CC1=C(C)C2=C(NC(CCC(=O)NCC3=NC(=O)O[N-]3)=NC2=O)S1	REAL300025552780	0	38	-1.0	-49.45	339.62	0.99	-48.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300025552781	0	44	-1.0	-36.13	355.62	4.67	-31.46
O=C(CCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552782	0	34	-1.0	-42.98	308.62	0.24	-42.74
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL300025552783	0	38	-1.0	-39.45	333.56	3.62	-35.83
CNC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025552784	0	39	-1.0	-46.37	340.26	-0.35	-46.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC(F)=CC=C21	REAL300025552785	0	39	-1.0	-35.09	340.36	5.16	-29.93
CC1=CC=C(OCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C(C)=C1	REAL300025552786	0	41	-1.0	-40.66	358.62	3.91	-36.75
O=C(CS(=O)(=O)CC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025552787	0	33	-1.0	-50.48	329.94	0.28	-50.20
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300025552788	0	34	-1.0	-36.25	309.56	3.94	-32.31
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300025552789	0	37	-1.0	-37.68	312.13	1.60	-36.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1	REAL300025552790	0	38	-1.0	-39.72	349.10	4.84	-34.88
O=C(CN1C=CC2=CC=C(Cl)C=C21)NCC1=NC(=O)O[N-]1	REAL300025552791	0	31	-1.0	-39.72	295.62	3.71	-36.01
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552792	0	37	-1.0	-40.82	330.12	1.05	-39.77
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=NC2=N1	REAL300025552793	0	25	-1.0	-43.79	263.38	1.80	-41.99
O=C(CC1=CC=C(NC(=O)C2=CC3=CC=CC=C3O2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552794	0	44	-1.0	-43.38	389.05	4.15	-39.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC=C2C2=CC=C(F)C=C2)C=C1	REAL300025552795	0	41	-1.0	-40.07	359.68	5.35	-34.72
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1	REAL300025552796	0	35	-1.0	-37.68	333.90	3.01	-34.67
O=C(CCC1=NC=C(C2=CC=CC=C2Br)O1)NCC1=NC(=O)O[N-]1	REAL300025552797	0	36	-1.0	-39.65	341.20	1.47	-38.18
O=C(C=CC1=CC=C(Cl)C=C1)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552798	0	45	-1.0	-47.61	383.61	6.06	-41.55
CC(C)OC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025552799	0	33	-1.0	-38.29	305.05	0.26	-38.03
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)NCC1=NC(=O)O[N-]1	REAL300025552800	0	33	-1.0	-44.35	314.05	3.90	-40.45
O=C(CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552801	0	44	-1.0	-42.00	383.58	6.16	-35.84
COC1=CC=C(OCC2=CC=CC=N2)C(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552802	0	45	-1.0	-42.40	387.99	3.17	-39.23
COC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025552803	0	33	-1.0	-40.96	295.72	0.25	-40.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(=O)CCC2=O)C=C1	REAL300025552804	0	36	-1.0	-42.10	318.02	0.07	-42.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=NC=C2)NC1=O	REAL300025552805	0	33	-1.0	-52.26	292.85	0.05	-52.21
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(C2CC2)=NN1	REAL300025552806	0	28	-1.0	-34.84	275.17	0.31	-34.53
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(C2=CC=CC=C2)=NN1	REAL300025552807	0	31	-1.0	-35.96	299.19	1.56	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025552808	0	30	-1.0	-40.20	292.04	1.85	-38.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL300025552809	0	37	-1.0	-59.55	324.17	4.08	-55.47
CS(=O)(=O)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CC=CN21	REAL300025552810	0	33	-1.0	-55.50	309.06	-1.18	-56.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC(Br)=C2	REAL300025552811	0	25	-1.0	-34.34	266.88	0.81	-33.53
CCCCN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552812	0	41	-1.0	-38.40	337.21	3.94	-34.46
NS(=O)(=O)C1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552813	0	26	-1.0	-39.39	287.37	-4.29	-43.68
CCCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552814	0	41	-1.0	-38.23	337.51	4.10	-34.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1Cl	REAL300025552815	0	30	-1.0	-38.80	289.03	1.37	-37.43
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=N2)=N1	REAL300025552816	0	29	-1.0	-48.26	283.92	-0.01	-48.27
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025552817	0	37	-1.0	-35.41	310.80	0.05	-35.36
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025552818	0	42	0.0	-58.08	337.32	2.80	-55.28
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025552818	1	42	0.0	-54.86	331.03	3.00	-51.86
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=NC=CC=N2)C2=CC=CC=C2O1	REAL300025552819	0	39	-1.0	-45.79	362.65	3.93	-41.86
COC1=CC=C(N2CCN(C(=O)C=CC(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025552820	0	48	-1.0	-41.07	393.74	1.05	-40.02
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCSCC1	REAL300025552821	0	40	-1.0	-35.57	337.48	2.74	-32.83
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL300025552822	0	43	-1.0	-38.83	366.91	2.09	-36.74
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1NC(=O)C1=CC=NC=C1	REAL300025552823	0	40	-1.0	-39.36	339.51	2.40	-36.96
CC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025552824	0	27	-1.0	-36.54	269.46	-0.15	-36.69
CC(C)(C)OC(=O)NCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552825	0	49	-1.0	-40.90	398.24	1.63	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1	REAL300025552826	0	35	-1.0	-38.18	330.86	5.63	-32.55
CN1C2=NC(CCC(=O)NCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025552827	0	35	-2.0	-80.71	319.49	-2.92	-83.63
CN1C2=C(N=C(CCC(=O)NCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025552827	1	35	-2.0	-78.83	319.63	-2.18	-81.01
CN1C2=C(NC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025552827	1	36	-1.0	-40.68	322.70	-1.82	-42.50
CN1C2=C([N-]C(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025552827	1	35	-2.0	-78.97	319.32	-2.27	-81.24
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=N1	REAL300025552828	0	33	-1.0	-39.81	294.94	0.63	-39.18
COC1=CC=C2C(=C1)OC(C(=O)NCC1=NC(=O)O[N-]1)=C2C1=CC=CC=C1	REAL300025552829	0	41	-1.0	-42.56	359.92	4.38	-38.18
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1CC(C)OC(C)C1	REAL300025552830	0	45	-1.0	-36.53	335.91	0.60	-35.93
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025552830	1	46	0.0	-47.37	346.86	2.41	-44.96
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300025552831	0	43	0.0	-54.23	342.57	4.92	-49.31
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300025552831	1	43	0.0	-58.53	348.83	4.72	-53.81
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025552832	0	43	0.0	-59.60	342.43	4.69	-54.91
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025552833	0	43	0.0	-54.40	342.47	4.65	-49.75
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025552833	1	43	0.0	-54.41	342.42	4.65	-49.76
COC1=CC=C(C(=O)CNC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552834	0	43	-1.0	-41.79	375.64	0.12	-41.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300025552835	0	34	-1.0	-38.83	304.63	2.10	-36.73
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552836	0	40	-1.0	-37.50	330.60	2.42	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300025552837	0	27	-1.0	-34.27	265.39	2.10	-32.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(F)=C1	REAL300025552838	0	24	-1.0	-35.16	248.11	1.71	-33.45
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025552839	0	41	-1.0	-38.68	328.74	3.68	-35.00
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)OCC1=CC=CC=C1	REAL300025552840	0	45	-1.0	-45.33	371.99	4.53	-40.80
CS(=O)(=O)C1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552841	0	37	-1.0	-44.09	336.30	-1.12	-45.21
CCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552842	0	33	-1.0	-42.57	303.24	-0.52	-43.09
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552843	0	41	-1.0	-44.18	335.09	1.39	-42.79
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025552844	0	33	-1.0	-44.89	310.70	2.87	-42.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300025552845	0	31	-1.0	-43.36	286.48	2.37	-40.99
CC(=O)CCC1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552846	0	42	-1.0	-39.99	363.09	3.49	-36.50
CC(=O)C1=CC=CC(OCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552847	0	39	-1.0	-45.72	337.61	2.52	-43.20
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025552848	0	47	-1.0	-36.24	374.40	1.89	-34.35
O=C(CNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025552849	0	35	-1.0	-37.81	317.01	-0.19	-38.00
CC(C)(C)NS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552850	0	44	-1.0	-46.03	368.58	-0.10	-46.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=C(Cl)C=C1Cl	REAL300025552851	0	34	-1.0	-40.82	338.89	3.51	-37.31
CC1=NN(C(F)F)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025552852	0	33	-1.0	-39.89	299.86	0.65	-39.24
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025552853	0	39	-1.0	-40.76	321.25	1.81	-38.95
N#CCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025552854	0	40	-1.0	-42.65	370.41	4.40	-38.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=C(Cl)C=C1Cl	REAL300025552855	0	35	-1.0	-39.72	340.43	6.06	-33.66
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025552856	0	38	-1.0	-45.80	331.20	2.50	-43.30
CC1=CC=C(C2=NN(CCC#N)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025552857	0	44	-1.0	-42.80	380.59	4.93	-37.87
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025552858	0	48	0.0	-62.00	367.49	3.31	-58.69
O=C(CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025552859	0	38	-1.0	-43.78	338.13	2.40	-41.38
O=C(CC1=CSC(CC2=CC=C(F)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552860	0	36	-1.0	-42.25	339.00	3.44	-38.81
CC1=CC=CC=C1N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025552861	0	41	-1.0	-45.80	341.52	4.85	-40.95
N#CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025552862	0	29	-1.0	-40.94	291.50	2.54	-38.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCSCC2)=CN1	REAL300025552863	0	38	-1.0	-41.99	347.31	-1.42	-43.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)S2)=N1	REAL300025552864	0	30	-1.0	-35.96	314.39	2.32	-33.64
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300025552865	0	27	-1.0	-35.76	272.09	2.33	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCSCC2)C=CS1	REAL300025552866	0	37	-1.0	-45.70	336.64	0.71	-44.99
COC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552867	0	34	-1.0	-43.13	314.70	1.40	-41.73
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CCN2CCOCC2)C1	REAL300025552868	0	44	-1.0	-40.35	358.45	-1.90	-42.25
NS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552869	0	32	-1.0	-47.94	299.38	-3.29	-51.23
CS(=O)(=O)C1=CC=C(OCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552870	0	43	-1.0	-45.55	379.28	0.44	-45.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CS2)C2=CC=CC=C2O1	REAL300025552871	0	38	-1.0	-40.95	363.14	5.52	-35.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300025552872	0	31	-1.0	-48.57	291.10	2.00	-46.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300025552873	0	31	-1.0	-41.56	294.20	2.92	-38.64
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025552874	0	30	-1.0	-40.80	287.39	2.31	-38.49
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025552875	0	30	-1.0	-41.51	287.77	2.88	-38.63
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552876	0	47	-1.0	-39.83	368.36	2.67	-37.16
COC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)COC2=C1	REAL300025552877	0	36	-1.0	-37.60	305.26	0.89	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300025552878	0	30	-1.0	-45.50	290.55	1.29	-44.21
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)NCC1=NC(=O)O[N-]1	REAL300025552879	0	44	-1.0	-40.71	372.87	7.43	-33.28
O=C(CCCOC1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025552880	0	34	-1.0	-40.45	309.75	2.26	-38.19
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025552881	0	37	-1.0	-39.21	338.73	0.56	-38.65
NS(=O)(=O)C1=CN(CCC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025552882	0	32	-1.0	-44.50	304.57	-5.43	-49.93
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL300025552883	0	35	-1.0	-37.57	305.25	3.74	-33.83
CC(C)CN1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025552884	0	38	-1.0	-38.34	325.22	2.09	-36.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300025552885	0	31	-1.0	-34.28	287.64	2.90	-31.38
O=C(CSCC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552886	0	33	-1.0	-43.71	326.95	3.48	-40.23
CCCCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552887	0	44	-1.0	-38.29	359.01	4.88	-33.41
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025552888	0	39	-1.0	-48.33	354.12	4.26	-44.07
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300025552889	0	30	-1.0	-45.70	281.70	1.69	-44.01
CC1=NC(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CN1C	REAL300025552890	0	45	-1.0	-46.80	382.88	-0.19	-46.99
NS(=O)(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025552891	0	29	-1.0	-48.75	282.31	-5.98	-54.73
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=N1	REAL300025552892	0	33	-1.0	-37.47	311.54	1.45	-36.02
CCOC(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1)OCC	REAL300025552893	0	40	-1.0	-42.38	347.77	-0.94	-43.32
O=C(CSCC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025552894	0	33	-1.0	-44.74	310.23	2.95	-41.79
CCN1C=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025552895	0	37	-1.0	-41.18	321.96	4.41	-36.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300025552896	0	34	-1.0	-42.24	302.51	3.26	-38.98
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025552897	0	32	-1.0	-42.77	316.56	2.53	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300025552898	0	32	-1.0	-39.01	316.58	2.53	-36.48
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025552899	0	33	-1.0	-36.64	308.70	3.62	-33.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1	REAL300025552900	0	42	-1.0	-45.66	356.94	-1.30	-46.96
O=C(CCC1=NC(C2=NNC=N2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025552901	0	31	-1.0	-46.63	293.47	-1.73	-48.36
O=C(CCCOC1=CC=CC(Cl)=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552902	0	34	-1.0	-40.93	328.32	3.15	-37.78
CC(=O)CCC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552903	0	42	-1.0	-40.92	358.79	4.36	-36.56
CC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C(C)=C1	REAL300025552904	0	36	-1.0	-37.00	325.09	3.82	-33.18
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025552905	0	46	-1.0	-36.82	364.47	5.64	-31.18
CC(=O)C1=CC=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552906	0	36	-1.0	-45.43	312.58	2.65	-42.78
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1	REAL300025552907	0	30	-1.0	-43.43	317.48	3.27	-40.16
O=C(CC1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)NCC1=NC(=O)O[N-]1	REAL300025552908	0	33	-1.0	-41.92	338.51	4.08	-37.84
N#CCCCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552909	0	37	-1.0	-50.53	345.59	0.80	-49.73
N#CC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025552910	0	36	-1.0	-40.36	320.63	2.38	-37.98
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025552911	0	34	-1.0	-35.76	314.36	4.05	-31.71
O=C(CC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552912	0	27	-1.0	-36.46	276.71	2.67	-33.79
NS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552913	0	32	-1.0	-48.51	299.39	-3.30	-51.81
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025552914	0	30	-1.0	-41.58	305.60	-0.78	-42.36
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025552915	0	43	0.0	-55.28	358.17	4.98	-50.30
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025552915	1	43	0.0	-55.20	356.84	4.84	-50.36
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552916	0	36	-1.0	-39.44	316.67	1.68	-37.76
COC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025552917	0	34	-1.0	-42.25	310.16	2.36	-39.89
O=C(CCOC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025552918	0	31	-1.0	-35.47	312.76	2.54	-32.93
CC(C)C1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552919	0	40	-1.0	-36.51	335.82	3.29	-33.22
CC1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025552920	0	34	-1.0	-36.93	317.44	2.70	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CS1	REAL300025552921	0	21	-1.0	-34.76	234.74	0.67	-34.09
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025552922	0	38	-1.0	-41.54	348.88	-0.40	-41.94
CC(C)(C)CC(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552923	0	43	-1.0	-44.21	339.99	2.96	-41.25
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C(F)=C1	REAL300025552924	0	34	-1.0	-39.81	316.52	1.48	-38.33
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025552925	0	32	-1.0	-42.18	309.12	-1.67	-43.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL300025552926	0	37	-1.0	-37.88	304.90	-0.12	-38.00
CN1C=CN=C1SCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552927	0	38	-1.0	-41.82	346.91	4.56	-37.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=C(F)C=C2)C2=CC=CC=C2O1	REAL300025552928	0	41	-1.0	-40.38	376.71	6.43	-33.95
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CC=C2F)C2=CC=CC=C2O1	REAL300025552929	0	41	-1.0	-43.94	376.06	6.40	-37.54
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025552930	0	36	-1.0	-48.40	333.45	3.84	-44.56
O=C(CCC1=CC=C(Br)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025552931	0	30	-1.0	-36.69	293.90	3.19	-33.50
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552932	0	45	-1.0	-39.82	370.91	6.18	-33.64
C=CCN1C(=O)C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025552933	0	32	-1.0	-40.02	305.32	-0.42	-40.44
O=C(CCCCC1SCC2NC(=O)NC12)NCC1=NC(=O)O[N-]1	REAL300025552934	0	41	-1.0	-43.50	350.86	-1.09	-44.59
CCN(C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025552935	0	41	-1.0	-38.16	326.33	3.60	-34.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552936	0	34	-2.0	-90.09	310.40	-0.98	-91.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2=CC=CS2)C=C1	REAL300025552937	0	39	-1.0	-40.77	368.86	0.17	-40.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCOCC1	REAL300025552938	0	37	-1.0	-38.85	306.45	1.20	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCOCC1	REAL300025552939	0	36	-1.0	-38.71	304.16	0.21	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300025552940	0	31	-1.0	-47.56	294.89	2.89	-44.67
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)S1	REAL300025552941	0	30	-1.0	-38.29	300.26	2.88	-35.41
COC1=CC=C(Cl)C=C1NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025552942	0	33	-1.0	-37.10	303.75	-0.05	-37.15
O=C(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025552943	0	37	-1.0	-43.45	350.12	-1.25	-44.70
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025552944	0	38	-1.0	-38.51	329.18	4.11	-34.40
O=C(CCCOC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025552945	0	34	-1.0	-40.31	313.15	2.68	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CO2)NC1=O	REAL300025552946	0	31	-1.0	-50.43	282.98	-0.00	-50.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1	REAL300025552947	0	40	-1.0	-41.26	346.70	1.46	-39.80
CS(=O)(=O)C1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552948	0	40	-1.0	-46.51	357.78	-0.34	-46.85
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552949	0	45	0.0	-61.31	356.41	5.05	-56.26
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552949	1	45	0.0	-61.81	356.87	5.07	-56.74
CCCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025552950	0	40	-1.0	-39.05	334.74	3.53	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025552951	0	30	-1.0	-42.91	320.27	2.83	-40.08
CC1=NC2=CC=C(Br)C=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552952	0	32	-1.0	-35.97	300.18	2.64	-33.33
COC1=CC=CC2=C1OCC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025552953	0	34	-1.0	-41.56	296.28	1.40	-40.16
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL300025552954	0	31	-1.0	-37.80	293.70	3.73	-34.07
CC1=NN(CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025552955	0	40	-1.0	-39.50	342.75	3.61	-35.89
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552956	0	41	-1.0	-40.10	346.51	6.08	-34.02
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025552957	0	26	-1.0	-41.71	269.36	-4.94	-46.65
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025552958	0	33	-1.0	-41.24	307.01	3.86	-37.38
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300025552959	0	41	-1.0	-44.96	356.19	1.19	-43.77
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025552959	1	40	-2.0	-89.96	355.13	0.22	-89.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(N)(=O)=O)S1	REAL300025552960	0	29	-1.0	-42.55	286.85	-4.25	-46.80
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=S)NN=C1C1=CC=CS1	REAL300025552961	0	34	-1.0	-43.33	318.62	2.62	-40.71
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300025552961	1	33	-2.0	-94.52	315.20	2.45	-92.07
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025552962	0	28	-1.0	-36.77	266.78	0.98	-35.79
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025552963	0	35	-2.0	-97.94	341.44	-1.08	-99.02
CC(C)(C)OC(=O)N1CCC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)CC1	REAL300025552964	0	50	-1.0	-44.88	407.02	1.29	-43.59
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C2OCOC2=C1	REAL300025552965	0	41	-1.0	-46.40	344.32	1.88	-44.52
COC1=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)=CC=C1C	REAL300025552966	0	41	-1.0	-38.01	337.86	3.37	-34.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1	REAL300025552967	0	36	-1.0	-39.81	335.59	-1.05	-40.86
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025552968	0	30	-1.0	-39.54	282.12	1.01	-38.53
CC(C)(C)OC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552969	0	39	-1.0	-40.27	331.90	1.76	-38.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2N1	REAL300025552970	0	28	-1.0	-36.56	275.88	1.58	-34.98
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552971	0	36	-1.0	-38.74	326.95	4.98	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025552972	0	43	0.0	-59.60	342.43	4.69	-54.91
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300025552973	0	38	-1.0	-36.72	348.64	5.74	-30.98
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025552974	0	37	-1.0	-41.79	335.82	-3.27	-45.06
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025552975	0	45	0.0	-59.04	348.02	4.56	-54.48
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025552975	1	45	0.0	-59.14	338.82	4.13	-55.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1	REAL300025552976	0	32	-1.0	-39.69	314.31	0.99	-38.70
CC1=CC=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552977	0	27	-1.0	-36.59	264.27	2.80	-33.79
CCCNC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552978	0	42	-1.0	-43.82	359.97	0.85	-42.97
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552979	0	42	-1.0	-51.59	361.40	4.06	-47.53
CC1CCC(NS(=O)(=O)CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552980	0	41	-1.0	-43.56	338.17	-1.69	-45.25
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(Br)C=C1	REAL300025552981	0	35	-1.0	-37.09	320.12	4.30	-32.79
COCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025552982	0	37	-1.0	-36.79	325.26	-1.43	-38.22
O=C(CC1CCCC1)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552983	0	50	-1.0	-39.40	385.90	3.47	-35.93
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCOCC1	REAL300025552984	0	38	-1.0	-35.39	325.96	2.59	-32.80
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552985	0	34	-1.0	-37.66	318.78	4.44	-33.22
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2Cl)C2=CC=CC=C2O1	REAL300025552986	0	41	-1.0	-43.57	376.02	5.30	-38.27
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025552987	0	36	-1.0	-42.23	335.46	1.35	-40.88
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552988	0	33	-1.0	-37.49	293.99	1.69	-35.80
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552989	0	33	-1.0	-36.89	299.91	2.48	-34.41
O=C(CC1CCCCC1)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025552990	0	53	-1.0	-39.20	402.56	4.11	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300025552991	0	33	-1.0	-42.80	318.12	2.60	-40.20
CCCOC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025552992	0	40	-1.0	-40.97	361.17	2.89	-38.08
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)NCC1=NC(=O)O[N-]1	REAL300025552993	0	38	-1.0	-41.74	347.07	-1.11	-42.85
CC(SC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C(=O)N1CCCC1	REAL300025552994	0	44	-1.0	-46.85	372.90	3.05	-43.80
O=C(NCC1=NC(=O)O[N-]1)C1CCCCC1C(=O)N1CCCC1	REAL300025552995	0	44	-1.0	-43.85	347.86	2.41	-41.44
CC1=NC(CN2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CS1	REAL300025552996	0	41	-1.0	-38.96	347.45	0.20	-38.76
CC1=NC(C[NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CS1	REAL300025552996	1	42	0.0	-57.93	349.85	2.45	-55.48
CCC(C)C(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025552997	0	43	-1.0	-42.30	339.85	2.03	-40.27
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025552998	0	32	-1.0	-42.34	300.06	-2.17	-44.51
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025552999	0	33	-1.0	-38.57	327.43	2.87	-35.70
CS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553000	0	30	-1.0	-51.98	290.89	-2.57	-54.55
O=C(NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1)C1CCCC1	REAL300025553001	0	47	-1.0	-42.67	370.18	2.33	-40.34
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1	REAL300025553002	0	44	-1.0	-51.51	365.15	1.55	-49.96
O=C(NCC1=NC(=O)O[N-]1)C1(NS(=O)(=O)C2=CC=CC(F)=C2)CCCCC1	REAL300025553003	0	45	-1.0	-48.37	366.14	1.36	-47.01
CC(C)(C)OC(=O)N1CCC(N2C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553004	0	52	-1.0	-39.49	411.24	4.48	-35.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1I	REAL300025553005	0	26	-1.0	-33.59	271.04	2.79	-30.80
NS(=O)(=O)C1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553006	0	36	-1.0	-42.53	329.83	-3.69	-46.22
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300025553007	0	30	-1.0	-37.41	283.15	2.95	-34.46
CC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025553008	0	43	-1.0	-36.15	322.95	4.65	-31.50
CC1=NC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025553009	0	35	-1.0	-46.60	323.37	-3.68	-50.28
CC1=NC(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025553010	0	38	-1.0	-50.01	345.43	-3.04	-53.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1	REAL300025553011	0	41	-1.0	-38.94	339.09	2.45	-36.49
COCCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553012	0	37	-1.0	-42.28	336.91	-1.43	-43.71
CC(C)COC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553013	0	44	-1.0	-39.19	358.20	2.34	-36.85
CC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025553014	0	40	-1.0	-39.39	341.84	3.07	-36.32
CC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025553015	0	38	-1.0	-46.79	334.35	2.21	-44.58
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL300025553016	0	40	-1.0	-35.79	330.06	4.86	-30.93
CC1=CC=CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025553017	0	33	-1.0	-42.90	299.88	1.41	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1I	REAL300025553018	0	24	-1.0	-35.91	249.27	2.19	-33.72
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025553019	0	30	-1.0	-45.29	296.54	2.08	-43.21
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025553020	0	41	-1.0	-43.64	350.51	2.85	-40.79
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300025553021	0	36	-2.0	-104.35	329.76	-1.67	-106.02
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300025553021	1	37	-1.0	-49.84	333.06	-0.45	-50.29
CCC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C)N=C21	REAL300025553022	0	41	-1.0	-37.04	345.62	2.93	-34.11
O=C(CC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025553023	0	27	-1.0	-36.99	267.04	2.34	-34.65
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)O1	REAL300025553024	0	33	-1.0	-45.30	304.52	-1.18	-46.48
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025553025	0	38	-1.0	-37.96	317.83	2.60	-35.36
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025553026	0	30	-1.0	-36.25	299.07	3.50	-32.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300025553027	0	37	-1.0	-37.36	330.00	1.75	-35.61
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553028	0	47	-1.0	-47.66	367.12	5.07	-42.59
O=C(CC1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025553029	0	36	-1.0	-40.40	348.48	3.69	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=NC=CC=N2)S1	REAL300025553030	0	28	-1.0	-42.15	279.76	-0.68	-42.83
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1C(C)C	REAL300025553031	0	42	-1.0	-45.96	355.88	4.81	-41.15
CCN1C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553032	0	28	-1.0	-37.33	269.52	1.98	-35.35
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=N1	REAL300025553033	0	33	-1.0	-43.03	315.69	1.59	-41.44
CCC(C)N1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC=C1	REAL300025553034	0	46	-1.0	-43.72	393.83	6.00	-37.72
O=C(C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025553035	0	38	-1.0	-42.21	346.82	3.43	-38.78
CC1=CC=C(CCC(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553036	0	40	-1.0	-38.06	347.52	1.70	-36.36
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL300025553037	0	39	-1.0	-42.19	325.13	-0.10	-42.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL300025553038	0	34	-1.0	-37.83	307.95	1.43	-36.40
CC(C)OC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025553039	0	40	-1.0	-41.06	357.57	2.72	-38.34
N#CC1=CC=CC(OCC2=C(C(=O)NCC3=NC(=O)O[N-]3)OC=C2)=C1	REAL300025553040	0	36	-1.0	-39.27	334.65	2.78	-36.49
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CSC=C2)O1	REAL300025553041	0	33	-1.0	-42.72	312.31	-0.28	-43.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300025553042	0	35	-1.0	-37.36	326.49	4.43	-32.93
COC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025553043	0	38	-1.0	-38.93	315.19	2.77	-36.16
COC1=CC=C(C(=O)NC2=CC(F)=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553044	0	42	-1.0	-37.44	363.29	2.89	-34.55
CC1=NN(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1[N+](=O)[O-]	REAL300025553045	0	35	-1.0	-38.47	320.60	1.51	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300025553046	0	34	-1.0	-40.04	312.91	2.86	-37.18
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025553047	0	30	-1.0	-41.56	294.54	-0.92	-42.48
O=C(NCC1=NC(=O)O[N-]1)C(OC1CCCC1)C1=CC=CC=C1	REAL300025553048	0	41	-1.0	-37.49	344.36	4.90	-32.59
CC(C)(C)C1=CC=C(CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553049	0	48	-1.0	-36.58	386.34	6.42	-30.16
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300025553050	0	33	-1.0	-40.85	314.43	0.52	-40.33
COC1=CC=C(CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025553051	0	42	-1.0	-41.80	359.53	1.93	-39.87
CCC(CC)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025553052	0	39	-1.0	-36.01	319.74	3.96	-32.05
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553053	0	37	-1.0	-39.64	326.71	-0.92	-40.56
CC(NC(=O)C1=NNC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553053	1	37	-1.0	-41.41	328.52	-0.95	-42.36
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CS1	REAL300025553054	0	36	-1.0	-46.55	332.86	0.35	-46.20
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NCC#N	REAL300025553055	0	36	-1.0	-44.89	332.75	-1.32	-46.21
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)NCC1=NC(=O)O[N-]1	REAL300025553056	0	37	-1.0	-45.51	329.28	-1.12	-46.63
O=C(CCNC(=O)C1=NNC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025553056	1	37	-1.0	-45.31	331.09	-1.15	-46.46
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025553057	0	29	-1.0	-39.47	308.82	-2.95	-42.42
O=C(CNS(=O)(=O)C1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025553058	0	29	-1.0	-39.47	313.45	-2.84	-42.31
CC(NC(=O)CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553059	0	43	-1.0	-37.19	344.11	1.34	-35.85
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCCC2)=N1	REAL300025553060	0	40	-1.0	-38.62	327.35	2.62	-36.00
CC1=CC(C(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025553061	0	43	-1.0	-45.50	362.22	4.38	-41.12
CC(C)(C)N1C=CN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553062	0	37	-1.0	-39.80	320.41	2.33	-37.47
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025553063	0	33	-1.0	-37.22	298.07	3.27	-33.95
CS(=O)(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025553064	0	36	-1.0	-50.97	332.58	-0.17	-51.14
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553065	0	35	-1.0	-41.70	299.63	1.92	-39.78
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025553066	0	38	-2.0	-98.40	356.86	1.86	-96.54
CC1=CC=C(NS(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025553066	1	39	-1.0	-42.07	357.00	1.43	-40.64
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300025553067	0	37	-1.0	-46.43	328.21	4.02	-42.41
CC1(C)CC2=C(SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C2=CC=CC=C21	REAL300025553068	0	41	-1.0	-39.25	350.32	5.70	-33.55
COCCOCC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553069	0	48	-1.0	-44.98	390.91	0.42	-44.56
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL300025553070	0	33	-1.0	-37.45	318.04	2.74	-34.71
O=C(CN1C2=CC=CC=C2CCCC1=O)NCC1=NC(=O)O[N-]1	REAL300025553071	0	38	-1.0	-42.90	315.93	3.09	-39.81
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=N1	REAL300025553072	0	33	-1.0	-39.23	311.51	1.45	-37.78
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300025553073	0	39	-1.0	-38.53	331.21	3.13	-35.40
CCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025553074	0	39	-1.0	-48.15	354.95	4.60	-43.55
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1	REAL300025553075	0	37	-1.0	-48.89	344.71	4.75	-44.14
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025553076	0	36	-1.0	-46.83	347.15	4.04	-42.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300025553077	0	31	-1.0	-40.39	306.71	1.40	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)O1	REAL300025553078	0	31	-1.0	-40.35	311.33	1.50	-38.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCOC2=C1	REAL300025553079	0	30	-1.0	-38.17	285.91	0.88	-37.29
COC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553080	0	28	-1.0	-37.80	269.73	2.23	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300025553081	0	40	-1.0	-45.21	361.49	3.46	-41.75
COC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(F)(F)F	REAL300025553082	0	41	-1.0	-40.71	367.32	3.12	-37.59
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553083	0	34	-1.0	-39.04	329.17	4.88	-34.16
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025553084	0	34	-1.0	-34.21	308.18	3.82	-30.39
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)NCC1=NC(=O)O[N-]1	REAL300025553085	0	30	-1.0	-44.97	305.34	3.30	-41.67
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025553086	0	40	-1.0	-38.67	322.00	4.98	-33.69
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025553087	0	43	-1.0	-36.72	348.41	5.25	-31.47
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1C(=O)NCC1=CC=C(F)C=C1	REAL300025553088	0	39	-1.0	-45.83	357.86	0.54	-45.29
CN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CS1	REAL300025553089	0	34	-1.0	-42.43	330.11	3.12	-39.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300025553090	0	37	-1.0	-39.65	327.89	5.70	-33.95
COC1=CC=C(CCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553091	0	43	-1.0	-38.83	361.15	4.18	-34.65
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553092	0	46	-1.0	-34.77	359.08	1.58	-33.19
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025553093	0	33	-1.0	-45.60	308.75	-1.57	-47.17
CCCC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553094	0	35	-1.0	-42.68	306.40	1.86	-40.82
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553095	0	34	-1.0	-36.21	313.15	2.33	-33.88
CC(C)C(SCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553096	0	40	-1.0	-36.65	344.49	5.52	-31.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300025553097	0	32	-1.0	-41.31	291.50	2.00	-39.31
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025553098	0	44	-1.0	-37.76	361.25	4.73	-33.03
O=C(COC1=CC=CC=C1OCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553099	0	35	-1.0	-44.67	325.34	2.76	-41.91
CC(C)(C)C(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553100	0	38	-1.0	-44.84	311.59	2.07	-42.77
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCS(=O)(=O)CC1	REAL300025553101	0	42	-1.0	-41.54	354.46	-0.90	-42.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300025553102	0	44	-1.0	-39.83	366.65	2.76	-37.07
CCCCC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553103	0	38	-1.0	-42.80	327.90	2.64	-40.16
CCC=C(C)C(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553104	0	39	-1.0	-43.74	326.62	2.72	-41.02
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553105	0	36	-1.0	-38.06	315.50	3.65	-34.41
CC(=O)CCC1=CC=C(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553106	0	49	-1.0	-43.50	419.99	6.46	-37.04
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553107	0	44	-1.0	-39.55	370.66	6.72	-32.83
CN1N=C(Br)C2=C1N=CN(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025553108	0	32	-1.0	-47.86	315.81	1.43	-46.43
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)C1CCCCC1	REAL300025553109	0	43	-1.0	-41.83	347.37	1.57	-40.26
O=C(CCC1=CC=CC=C1OC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553110	0	34	-1.0	-37.66	311.96	2.39	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL300025553111	0	29	-1.0	-39.97	284.28	0.26	-39.71
CC(C)OC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553112	0	38	-1.0	-38.15	324.91	3.08	-35.07
CC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025553113	0	33	-1.0	-43.72	301.91	2.07	-41.65
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300025553114	0	30	-1.0	-40.62	298.71	2.15	-38.47
CC(C)(C)C1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553115	0	45	-1.0	-37.36	364.84	5.64	-31.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1Cl	REAL300025553116	0	24	-1.0	-34.39	261.42	2.65	-31.74
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553117	0	31	-1.0	-35.65	304.76	3.25	-32.40
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300025553118	0	34	-1.0	-40.92	310.94	3.78	-37.14
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025553119	0	33	-1.0	-44.17	301.28	2.47	-41.70
NS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553120	0	32	-1.0	-44.38	299.93	-3.31	-47.69
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553121	0	42	0.0	-46.57	320.02	3.81	-42.76
CCN(CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553121	1	41	-1.0	-35.76	324.39	1.83	-33.93
O=C(NCC1=NC(=O)O[N-]1)C1NC2=CC=CC=C2S(=O)(=O)N1	REAL300025553122	0	32	-1.0	-48.15	292.20	-4.78	-52.93
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553123	0	42	-1.0	-39.80	366.66	3.01	-36.79
O=C(NCC1=NC(=O)O[N-]1)[C@H]1COCC(=O)N1CC1=CC=CC=C1	REAL300025553124	0	39	-1.0	-37.81	330.83	0.78	-37.03
O=C(NCCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553125	0	37	-1.0	-38.30	327.41	0.98	-37.32
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=NNC=N2)=N1	REAL300025553126	0	29	-1.0	-43.20	281.98	-0.33	-43.53
CC(C)(C)CC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553127	0	41	-1.0	-41.43	338.10	2.83	-38.60
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025553128	0	36	-1.0	-42.99	297.16	-3.61	-46.60
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553129	0	36	-1.0	-38.11	337.39	-0.56	-38.67
N#CC1=CC=C(OCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025553130	0	36	-1.0	-42.31	337.96	2.88	-39.43
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025553131	0	27	-1.0	-36.90	266.42	2.68	-34.22
CC(C)(C)C1=CC=C(C(=O)N2CSCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553132	0	48	-1.0	-46.00	391.28	5.64	-40.36
COC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025553133	0	45	-1.0	-40.37	388.43	2.92	-37.45
CC(SC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553134	0	32	-1.0	-37.61	303.69	3.05	-34.56
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025553135	0	40	-1.0	-37.89	315.93	4.39	-33.50
O=C(CC1=CNC2=CC(Cl)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025553136	0	31	-1.0	-39.68	294.37	2.29	-37.39
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553137	0	34	-1.0	-41.46	308.77	3.27	-38.19
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)CC1	REAL300025553138	0	41	-1.0	-37.45	332.51	2.31	-35.14
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)OCC(F)(F)F	REAL300025553139	0	35	-1.0	-42.04	321.60	0.75	-41.29
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025553140	0	36	-1.0	-39.32	306.16	1.42	-37.90
CC(C)CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553141	0	43	-1.0	-38.78	361.85	2.67	-36.11
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025553142	0	37	-1.0	-41.17	322.61	1.53	-39.64
CCCS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553143	0	38	-1.0	-43.04	337.49	-0.55	-43.59
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300025553144	0	39	-1.0	-41.46	348.64	5.38	-36.08
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553145	0	36	-1.0	-45.74	312.09	-0.23	-45.97
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553145	1	35	-2.0	-95.62	309.13	-1.07	-96.69
O=C(CCC(=O)C1=CC=C2C=CC3=C4C(=CC=C3)C=CC1=C24)NCC1=NC(=O)O[N-]1	REAL300025553146	0	46	-1.0	-44.24	387.08	7.74	-36.50
O=C(COCC(=O)NCC1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025553147	0	37	-1.0	-49.27	335.20	-0.44	-49.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC(C2=CC=CC(Cl)=C2)=NO1	REAL300025553148	0	39	-1.0	-44.06	367.38	4.75	-39.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCOCC2)=C1	REAL300025553149	0	40	-1.0	-38.46	329.10	-0.05	-38.51
O=C(CC1=CSC(C2=NNC=N2)=N1)NCC1=NC(=O)O[N-]1	REAL300025553150	0	29	-1.0	-49.71	286.20	-0.22	-49.93
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)OC	REAL300025553151	0	41	-1.0	-42.90	357.96	2.64	-40.26
CC(=O)NCC(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553152	0	38	-1.0	-45.15	325.26	-1.18	-46.33
N#CC1=CC=C(OC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553153	0	36	-1.0	-39.56	330.67	4.30	-35.26
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553154	0	37	-1.0	-33.24	330.19	3.94	-29.30
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1=C2C=CSC2=NC=N1	REAL300025553155	0	37	-1.0	-42.67	326.52	2.18	-40.49
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553156	0	40	-1.0	-38.12	340.60	2.85	-35.27
N#CC1=CC=C(N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553157	0	37	-1.0	-38.56	322.43	2.07	-36.49
CC1=CC2=NC(C3=CC=CC=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1C	REAL300025553158	0	45	-1.0	-38.90	372.17	6.27	-32.63
CC1CC2=CC=CC=C2N1C(=O)C1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553159	0	51	-1.0	-49.51	390.62	6.42	-43.09
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553160	0	44	-1.0	-37.05	346.76	-0.84	-37.89
CCCN(CCC)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553161	0	45	-1.0	-44.60	369.39	3.24	-41.36
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300025553162	0	35	-2.0	-89.98	322.72	-5.31	-95.29
O=C(CCC(=O)NC1=NN=C(C2CC2)O1)NCC1=NC(=O)O[N-]1	REAL300025553162	1	36	-1.0	-46.66	326.01	-3.60	-50.26
CN1CCN(C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025553163	0	44	-1.0	-35.83	351.84	0.41	-35.42
C[NH+]1CCN(C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025553163	1	45	0.0	-56.02	354.74	2.76	-53.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NNC=N2)C=C1	REAL300025553164	0	34	-1.0	-43.73	320.88	3.14	-40.59
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553165	0	41	-1.0	-46.59	357.14	3.43	-43.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C3OCOC3=C2)S1	REAL300025553166	0	33	-1.0	-38.04	313.94	0.63	-37.41
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553167	0	38	-2.0	-94.41	344.73	-2.98	-97.39
N#CCCN(C(=O)CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553168	0	41	-1.0	-43.83	363.11	3.85	-39.98
O=C(CSC1=NN=C(C2=CC=CS2)N1C1CC1)NCC1=NC(=O)O[N-]1	REAL300025553169	0	38	-1.0	-43.43	353.65	4.20	-39.23
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553170	0	33	-1.0	-35.51	295.92	3.15	-32.36
CCOC1=CC=CC=C1C(CC(=O)NCC1=NC(=O)O[N-]1)NC(C)=O	REAL300025553171	0	44	-1.0	-39.80	365.18	1.07	-38.73
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025553172	0	33	-1.0	-47.09	326.19	3.48	-43.61
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CN=CC=N2)=N1	REAL300025553173	0	28	-1.0	-46.07	278.72	-1.87	-47.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1	REAL300025553174	0	38	-1.0	-45.67	337.44	3.18	-42.49
O=C(CC(C1=CC=CC=C1)N1CCOC1=O)NCC1=NC(=O)O[N-]1	REAL300025553175	0	39	-1.0	-47.79	330.25	2.63	-45.16
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=CO2)SC=C1	REAL300025553176	0	32	-1.0	-39.76	304.02	0.39	-39.37
O=CC1=CC=CC(OCC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553177	0	40	-1.0	-41.95	348.47	4.17	-37.78
O=C(CCN1CCN(C(=O)C2CCCO2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553178	0	47	-1.0	-44.53	371.67	-0.29	-44.82
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553178	1	48	0.0	-70.07	373.99	1.91	-68.16
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025553179	0	35	-1.0	-43.92	315.74	-1.24	-45.16
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025553180	0	49	0.0	-48.87	379.55	5.94	-42.93
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCC(CC2=CC=CC=C2)CC1	REAL300025553180	1	48	-1.0	-36.97	377.77	3.83	-33.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025553181	0	32	-1.0	-43.59	296.01	0.79	-42.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300025553182	0	38	-1.0	-52.16	336.18	1.85	-50.31
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025553183	0	36	-1.0	-43.26	331.41	2.42	-40.84
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C2OCCOC2=C1	REAL300025553184	0	39	-1.0	-45.19	339.52	0.37	-44.82
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025553185	0	39	-1.0	-41.07	353.46	3.20	-37.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1	REAL300025553186	0	34	-1.0	-37.74	324.47	1.94	-35.80
O=C(CC1=COC(C2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025553187	0	30	-1.0	-44.86	292.59	-0.73	-45.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL300025553188	0	34	-1.0	-39.50	307.79	4.99	-34.51
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025553189	0	39	-1.0	-54.52	325.82	0.73	-53.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025553190	0	31	-2.0	-81.32	308.72	-1.29	-82.61
O=C(CC1(CC(=O)NC2=NC=CS2)CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025553191	0	46	-1.0	-42.13	365.87	2.77	-39.36
O=C(CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025553191	1	45	-2.0	-88.42	362.57	1.64	-86.78
CC1CCN(C2=CC=C(NC(=O)CCC(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025553192	0	52	-1.0	-40.51	414.49	2.66	-37.85
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=NC=C1	REAL300025553193	0	41	-1.0	-38.59	324.94	0.57	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300025553193	1	42	0.0	-50.28	335.03	2.85	-47.43
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300025553193	1	42	0.0	-51.94	325.51	2.72	-49.22
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1F)C1=CC=CC=C1	REAL300025553194	0	38	-1.0	-40.05	343.51	5.49	-34.56
O=C(C=CC1=CC=CC=C1OCC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025553195	0	48	-1.0	-40.07	389.11	5.92	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1	REAL300025553196	0	32	-1.0	-49.54	306.68	1.42	-48.12
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553197	0	39	-1.0	-44.35	332.37	0.06	-44.29
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300025553198	0	38	-1.0	-37.28	349.47	5.53	-31.75
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300025553199	0	38	-1.0	-37.43	349.90	5.56	-31.87
CC1=CC=C(SC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C(C)=C1	REAL300025553200	0	44	-1.0	-38.29	376.67	6.65	-31.64
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1Cl)C1=CC=CC=C1	REAL300025553201	0	38	-1.0	-38.86	352.75	5.91	-32.95
CCC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025553202	0	39	-1.0	-42.29	352.28	4.13	-38.16
CC(C)COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025553203	0	47	-1.0	-37.74	381.13	5.04	-32.70
CC1=CC=CC(COC2=CC=CC(CC(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025553204	0	44	-1.0	-40.40	378.43	5.68	-34.72
CC1=CC=CC=C1COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553205	0	44	-1.0	-40.68	373.19	5.69	-34.99
O=C(CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025553206	0	41	-1.0	-39.69	373.76	5.53	-34.16
O=C(CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025553207	0	41	-1.0	-39.48	370.18	5.59	-33.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)C=C1F	REAL300025553208	0	34	-1.0	-39.27	306.15	4.60	-34.67
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553209	0	40	-1.0	-35.65	323.34	-0.71	-36.36
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553210	0	48	-1.0	-43.22	383.16	4.64	-38.58
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553211	0	44	-1.0	-37.53	369.03	2.08	-35.45
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553212	0	43	-1.0	-35.49	344.84	0.04	-35.45
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553213	0	39	-1.0	-40.22	331.62	1.80	-38.42
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025553214	0	44	-1.0	-41.29	348.43	0.65	-40.64
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553215	0	47	-1.0	-39.41	368.12	1.61	-37.80
CC(C)N(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025553216	0	46	-1.0	-39.66	367.20	2.72	-36.94
CC(C)(C)OC(=O)N[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553217	0	44	-1.0	-37.55	369.03	2.08	-35.47
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553218	0	47	-1.0	-36.30	374.37	1.88	-34.42
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553219	0	44	-1.0	-36.37	368.07	0.53	-35.84
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553220	0	43	-1.0	-35.45	342.32	0.17	-35.28
CCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553221	0	43	-1.0	-35.48	344.84	0.04	-35.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL300025553222	0	30	-1.0	-41.54	281.65	0.77	-40.77
COC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1SC	REAL300025553223	0	34	-1.0	-38.99	314.20	3.11	-35.88
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553224	0	46	-1.0	-34.96	356.45	0.74	-34.22
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553225	0	38	-1.0	-46.90	335.64	2.63	-44.27
O=C(NCC1=NC(=O)O[N-]1)C1=C(CN2C(=O)CC3=CC=CC=C32)C=CO1	REAL300025553226	0	39	-1.0	-43.85	346.56	3.72	-40.13
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025553227	0	43	-1.0	-40.48	338.78	2.58	-37.90
CCCN(CCC)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553228	0	46	-1.0	-43.10	376.55	4.29	-38.81
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1CCCCC1	REAL300025553229	0	45	-1.0	-46.83	352.00	2.00	-44.83
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=CC1=O	REAL300025553230	0	33	-1.0	-50.36	304.26	3.49	-46.87
COC(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553231	0	36	-1.0	-39.34	321.96	3.20	-36.14
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025553232	0	41	-1.0	-37.59	361.42	0.94	-36.65
COCCN1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C(C)=C1C	REAL300025553233	0	44	-1.0	-40.36	369.61	3.84	-36.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NNC=N1	REAL300025553234	0	34	-1.0	-46.10	313.79	3.14	-42.96
CC(CC(=O)NCC1=NC(=O)O[N-]1)NS(=O)(=O)C1=CC=CN=C1Cl	REAL300025553235	0	37	-1.0	-47.33	346.54	-2.44	-49.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025553236	0	32	-2.0	-81.13	307.09	0.63	-80.50
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553237	0	50	0.0	-54.92	385.51	6.30	-48.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553237	1	50	0.0	-53.44	378.33	6.02	-47.42
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)NC1=CC=C2OCCOC2=C1	REAL300025553238	0	46	-1.0	-52.92	381.88	1.07	-51.85
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CO1)NC(=O)C1=CC=CC=C1	REAL300025553239	0	39	-1.0	-54.02	347.79	3.42	-50.60
O=C(CCCS(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553240	0	35	-1.0	-47.52	340.73	1.99	-45.53
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1S(N)(=O)=O	REAL300025553241	0	32	-1.0	-42.12	290.74	-3.25	-45.37
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300025553242	0	44	-1.0	-36.72	348.17	0.43	-36.29
CC(C)(C)OC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025553243	0	48	-1.0	-42.61	399.62	4.40	-38.21
CC[N@@H+]1CCCC1CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025553244	0	47	0.0	-59.44	362.67	2.26	-57.18
CC[N@H+]1CCCC1CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025553244	1	47	0.0	-57.58	364.73	2.26	-55.32
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CN=C1)NC(=O)C1=CC=CC=C1	REAL300025553245	0	41	-1.0	-50.70	356.51	4.00	-46.70
CCS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553246	0	33	-1.0	-46.39	307.80	-0.44	-46.83
O=C(CSC1=NN=NN1CC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553247	0	29	-1.0	-39.96	299.65	-0.41	-40.37
CC(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025553248	0	30	-1.0	-34.54	284.98	0.01	-34.53
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553249	0	48	0.0	-60.54	375.11	3.56	-56.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CN=C1	REAL300025553250	0	41	-1.0	-37.09	333.26	0.70	-36.39
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553251	0	46	0.0	-46.15	361.36	5.28	-40.87
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553251	1	46	0.0	-45.98	361.42	5.30	-40.68
CC1=CC=CC(CN2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553251	1	45	-1.0	-37.73	351.25	2.99	-34.74
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025553252	0	33	-1.0	-47.38	324.41	0.74	-46.64
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025553253	0	33	-1.0	-45.76	296.30	2.56	-43.20
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553254	0	33	-1.0	-45.07	315.78	-0.01	-45.08
COCCC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553255	0	44	-1.0	-39.32	373.68	2.64	-36.68
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Br)=C1	REAL300025553256	0	34	-1.0	-38.32	318.30	3.24	-35.08
CCC1=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025553257	0	37	-1.0	-40.99	320.57	3.20	-37.79
O=CC1=CC=CC(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025553258	0	40	-1.0	-46.53	355.66	4.04	-42.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(COC2=CC=C(C=O)C=C2)=C1	REAL300025553259	0	40	-1.0	-45.49	358.13	2.90	-42.59
O=CC1=CC=C(OCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CO2)C=C1	REAL300025553260	0	37	-1.0	-43.99	335.77	2.19	-41.80
COC1=CC(C=O)=C([N+](=O)[O-])C=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553261	0	36	-1.0	-50.57	331.66	2.85	-47.72
O=CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025553262	0	32	-1.0	-47.94	303.71	2.53	-45.41
O=CC1=CC=C(OC(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553263	0	30	-1.0	-40.80	287.04	1.50	-39.30
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025553264	0	35	-1.0	-37.11	304.51	0.55	-36.56
COC1=CC=C(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025553265	0	38	-1.0	-42.00	337.09	1.98	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(S(=O)(=O)NC2CC2)=C1F	REAL300025553266	0	36	-1.0	-43.38	345.48	-1.17	-44.55
CC1OC2=C(C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)NC1=O	REAL300025553267	0	33	-1.0	-41.02	290.10	0.19	-40.83
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N2N=CC=C2N1	REAL300025553268	0	33	-1.0	-57.21	293.95	-0.07	-57.28
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C(C)=C1	REAL300025553269	0	44	-1.0	-45.60	362.91	5.52	-40.08
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300025553270	0	38	-1.0	-37.37	344.78	5.32	-32.05
CCC1=CC=CC=C1OC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553271	0	44	-1.0	-38.55	373.59	6.69	-31.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300025553272	0	38	-1.0	-39.32	349.11	4.85	-34.47
O=C(CC1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553273	0	30	-1.0	-39.04	274.84	2.39	-36.65
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553274	0	38	-1.0	-41.19	330.73	1.78	-39.41
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025553275	0	33	-1.0	-42.54	318.32	0.85	-41.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1	REAL300025553276	0	35	-1.0	-40.36	330.42	3.30	-37.06
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=C3CCCCC3=C2)SC=C1	REAL300025553277	0	45	-1.0	-38.25	382.51	4.87	-33.38
CCCS(=O)(=O)C1=CC=CC=C1SC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553278	0	43	-1.0	-43.12	376.78	1.75	-41.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C(F)=C1	REAL300025553279	0	36	-1.0	-38.31	301.32	1.44	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300025553280	0	37	-1.0	-35.93	314.94	0.18	-35.75
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553281	0	37	-1.0	-42.76	324.43	0.14	-42.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300025553282	0	35	-1.0	-37.49	337.16	3.53	-33.96
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025553283	0	42	-1.0	-43.94	365.67	5.35	-38.59
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL300025553284	0	43	-1.0	-39.43	349.90	2.94	-36.49
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C(F)=C1	REAL300025553285	0	41	-1.0	-52.37	351.17	4.76	-47.61
CCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553286	0	40	-1.0	-38.81	332.09	2.79	-36.02
CCN(C)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553287	0	37	-1.0	-44.99	315.09	1.91	-43.08
CCCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553288	0	43	-1.0	-38.70	353.59	3.55	-35.15
CC(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025553289	0	36	-1.0	-44.83	323.65	1.34	-43.49
COC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C(F)=C1	REAL300025553290	0	38	-1.0	-40.57	340.50	4.06	-36.51
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553291	0	33	-1.0	-35.95	313.67	3.94	-32.01
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300025553292	0	31	-1.0	-45.15	314.40	3.18	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C2=C1CCC2	REAL300025553293	0	38	-1.0	-47.27	354.37	5.13	-42.14
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=C3CCCC3=C2)SC=C1	REAL300025553294	0	42	-1.0	-38.47	365.36	4.29	-34.18
CC1CCCN(S(=O)(=O)C2=CN(C)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025553295	0	46	-1.0	-43.21	386.58	1.01	-42.20
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C(Cl)=C1)C1=CC=CC=C1	REAL300025553296	0	38	-1.0	-36.68	359.35	5.97	-30.71
CN(C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1)C1=CC=CC=C1	REAL300025553297	0	41	-1.0	-45.73	343.42	4.06	-41.67
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C(NC(=O)N(C3=CC=CC=C3)C2=O)O1	REAL300025553298	0	40	-1.0	-47.50	364.82	1.29	-46.21
O=C(NCC1=NC(=O)O[N-]1)C1CSCN1C(=O)C1=CC=C(Cl)C=C1	REAL300025553299	0	36	-1.0	-44.86	331.89	3.84	-41.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1	REAL300025553300	0	35	-2.0	-84.89	341.80	2.32	-82.57
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=C(Cl)C=C2O)SC=C1	REAL300025553300	1	36	-1.0	-38.01	345.36	1.31	-36.70
O=C(CNC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025553301	0	32	-1.0	-35.95	297.69	1.04	-34.91
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C=C1C	REAL300025553302	0	40	-1.0	-39.22	338.12	5.73	-33.49
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553303	0	42	-1.0	-49.89	369.27	2.01	-47.88
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C3OCCOC3=C2)C1=O	REAL300025553304	0	41	-1.0	-52.55	343.59	1.28	-51.27
CC(C)(C)OC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025553305	0	41	-1.0	-39.67	348.82	1.42	-38.25
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)NCC1=NC(=O)O[N-]1	REAL300025553306	0	40	-1.0	-39.18	336.41	1.49	-37.69
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)NCC1=NC(=O)O[N-]1	REAL300025553307	0	43	-1.0	-44.29	358.53	2.12	-42.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)C(F)F)N=C1	REAL300025553308	0	33	-1.0	-37.99	314.25	0.11	-37.88
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=C(Cl)C(Cl)=C1)C1=CC=CC=C1	REAL300025553309	0	38	-1.0	-36.57	363.98	6.18	-30.39
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=C(F)C(Cl)=C1)C1=CC=CC=C1	REAL300025553310	0	38	-1.0	-36.87	354.66	5.77	-31.10
CC(C)C1=CC=CC(OC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)=C1	REAL300025553311	0	47	-1.0	-38.58	392.28	7.12	-31.46
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300025553312	0	45	-1.0	-43.88	382.57	1.64	-42.24
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300025553313	0	41	-1.0	-40.94	350.32	3.95	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=CC=C2Cl)SC=C1	REAL300025553314	0	35	-1.0	-39.18	332.33	2.89	-36.29
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=NC=CC=C2Cl)N=C1	REAL300025553315	0	33	-1.0	-42.34	317.78	3.84	-38.50
CN1C=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=N1	REAL300025553316	0	30	-1.0	-40.00	292.75	-0.24	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300025553317	0	32	-1.0	-43.31	300.15	2.60	-40.71
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300025553318	0	35	-1.0	-38.79	306.33	2.04	-36.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1	REAL300025553319	0	32	-1.0	-35.34	312.95	0.78	-34.56
CCS(=O)(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553320	0	38	-1.0	-40.91	344.46	-2.23	-43.14
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553321	0	42	-1.0	-42.91	353.47	1.35	-41.56
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300025553322	0	41	-1.0	-44.28	355.22	1.15	-43.13
CN(C)C1=NC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553323	0	31	-1.0	-35.80	292.09	1.30	-34.50
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300025553324	0	31	-1.0	-35.43	296.66	3.92	-31.51
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)C=C1	REAL300025553325	0	31	-1.0	-40.62	303.80	2.83	-37.79
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC(Cl)=CC=C1Cl)C1=CC=CC=C1	REAL300025553326	0	38	-1.0	-37.89	364.65	6.28	-31.61
CC(C)COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553327	0	40	-1.0	-38.00	338.71	3.45	-34.55
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C2C1	REAL300025553328	0	39	-1.0	-37.11	310.90	1.15	-35.96
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025553328	1	40	0.0	-49.02	319.79	3.83	-45.19
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025553328	1	40	0.0	-49.07	319.69	3.83	-45.24
CC1=CC(Cl)=CC=C1OC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553329	0	41	-1.0	-36.77	368.69	6.45	-30.32
CS(=O)(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553330	0	35	-1.0	-43.80	319.33	-1.56	-45.36
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553331	0	44	-1.0	-43.79	345.25	2.51	-41.28
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553332	0	44	-1.0	-43.81	345.09	2.52	-41.29
CCC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025553333	0	44	-1.0	-45.78	372.51	5.47	-40.31
COC1=CC=CC=C1CC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553334	0	40	-1.0	-38.84	330.21	3.09	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Cl)CCOCC1	REAL300025553335	0	38	-1.0	-35.52	309.65	2.85	-32.67
O=C(CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025553336	0	35	-1.0	-38.43	337.37	2.95	-35.48
O=C(CCC1=NC2=CC(Cl)=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025553337	0	32	-1.0	-38.25	315.60	2.47	-35.78
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=C(F)C=C1Cl)C1=CC=CC=C1	REAL300025553338	0	38	-1.0	-37.64	353.89	5.83	-31.81
CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553339	0	47	-1.0	-39.42	400.81	2.29	-37.13
CC(C)(C)OC(=O)NC(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553340	0	50	-1.0	-39.87	412.24	3.74	-36.13
CC1=CC=C(C(=O)NC(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025553341	0	47	-1.0	-43.84	401.73	5.26	-38.58
O=C(CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025553342	0	41	-1.0	-39.87	373.75	5.53	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Br)=C2)N=C1	REAL300025553343	0	31	-1.0	-38.07	303.39	2.84	-35.23
CCOC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1OC1CCCC1	REAL300025553344	0	49	-1.0	-40.06	405.91	5.53	-34.53
CCOC1=CC=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1OC1CCCCC1	REAL300025553345	0	52	-1.0	-40.57	414.80	5.80	-34.77
CS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553346	0	30	-1.0	-45.59	298.06	-0.79	-46.38
CC1=CC(C)=C(C)C(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553347	0	40	-1.0	-37.43	334.79	3.32	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)N=C1	REAL300025553348	0	41	-1.0	-38.09	322.79	2.08	-36.01
O=C(CCC1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025553349	0	27	-1.0	-35.26	278.85	2.25	-33.01
CCC(CC)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025553350	0	39	-1.0	-37.26	334.93	4.41	-32.85
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553351	0	36	-1.0	-40.33	336.85	4.37	-35.96
O=C(CC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025553352	0	27	-1.0	-37.84	263.46	2.20	-35.64
CCOC1=CC2=C(C=C1C1CC1C(=O)NCC1=NC(=O)O[N-]1)OC(C)C2	REAL300025553353	0	46	-1.0	-41.76	372.74	3.86	-37.90
COC1=CC=CC=C1CC(C)=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553354	0	38	-1.0	-38.32	320.42	3.30	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL300025553355	0	34	-1.0	-38.72	316.47	5.05	-33.67
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025553356	0	37	-1.0	-39.12	321.15	5.21	-33.91
COC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025553357	0	38	-1.0	-40.21	329.18	3.83	-36.38
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025553358	0	39	-1.0	-39.83	343.76	1.62	-38.21
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025553359	0	39	-1.0	-47.01	368.13	4.48	-42.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CC=C21	REAL300025553360	0	30	-1.0	-38.23	283.84	3.94	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C(F)=C1	REAL300025553361	0	24	-1.0	-34.95	254.41	2.19	-32.76
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)CC1	REAL300025553362	0	42	-1.0	-40.04	372.63	0.71	-39.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300025553363	0	31	-1.0	-40.66	283.78	2.41	-38.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Cl	REAL300025553364	0	33	-1.0	-45.75	310.14	1.87	-43.88
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025553365	0	38	-1.0	-36.77	343.17	5.47	-31.30
O=C(NCC1=NC(=O)O[N-]1)C(OC1=CC=CC(Cl)=C1Cl)C1=CC=CC=C1	REAL300025553366	0	38	-1.0	-39.59	362.66	6.23	-33.36
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC(F)=CC=C1F)C1=CC=CC=C1	REAL300025553367	0	38	-1.0	-38.35	348.95	5.52	-32.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300025553368	0	36	-1.0	-39.87	350.37	5.35	-34.52
CC1=CC=C2C(=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025553369	0	30	-1.0	-38.32	294.28	3.61	-34.71
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553370	0	49	-1.0	-40.31	407.36	5.68	-34.63
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025553371	0	40	-1.0	-43.31	356.81	-1.47	-44.78
CN1C(=O)CCC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025553372	0	41	-1.0	-36.98	330.73	2.90	-34.08
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553373	0	38	-1.0	-45.25	333.03	3.52	-41.73
COC1=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=CC=C1C	REAL300025553374	0	44	-1.0	-38.82	350.16	4.37	-34.45
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCCC3)C=C1	REAL300025553375	0	44	-1.0	-44.92	364.48	5.14	-39.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025553376	0	43	-1.0	-43.48	367.52	4.61	-38.87
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300025553377	0	38	-1.0	-48.20	333.67	1.83	-46.37
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300025553378	0	37	-1.0	-44.98	334.23	0.80	-44.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Br)=C2)C=C1	REAL300025553379	0	35	-1.0	-37.22	331.05	4.52	-32.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1	REAL300025553380	0	35	-1.0	-36.06	322.44	4.05	-32.01
CC(C)(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025553381	0	43	-1.0	-40.10	377.20	4.86	-35.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300025553382	0	38	-1.0	-44.93	333.60	1.73	-43.20
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025553383	0	43	-1.0	-42.63	364.21	2.08	-40.55
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCCOC3=C2)=N1	REAL300025553384	0	36	-1.0	-42.42	332.87	1.02	-41.40
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025553385	0	34	-1.0	-40.89	317.60	2.87	-38.02
COC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025553386	0	41	-1.0	-42.60	330.09	3.61	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL300025553387	0	38	-1.0	-37.99	315.82	3.26	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=N1	REAL300025553388	0	40	-1.0	-42.88	358.12	3.30	-39.58
CC(C)(C)OC(=O)NCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553389	0	41	-1.0	-42.63	346.75	-1.09	-43.72
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL300025553390	0	40	-1.0	-44.46	340.96	2.00	-42.46
CC(OC1=CC=CC=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553391	0	31	-1.0	-39.37	291.72	2.87	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025553392	0	45	-1.0	-39.82	376.96	6.28	-33.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1	REAL300025553393	0	40	-1.0	-47.27	352.99	3.41	-43.86
O=C(CCCSC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553394	0	34	-1.0	-37.37	328.73	4.38	-32.99
O=C(CCCCOC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553395	0	37	-1.0	-36.93	339.91	3.53	-33.40
CSCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553396	0	44	-1.0	-38.92	382.68	2.93	-35.99
O=C(CC1CCC(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553397	0	43	-1.0	-36.80	342.83	5.44	-31.36
CC1(C)CCC(C)(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025553398	0	46	-1.0	-37.24	350.74	5.22	-32.02
CCOC1=CC=C(C(=O)N2CSCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553399	0	43	-1.0	-47.04	366.43	3.56	-43.48
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025553400	0	33	-1.0	-39.73	318.37	3.32	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)SC(Br)=C1	REAL300025553401	0	21	-1.0	-34.32	251.75	1.40	-32.92
COC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553402	0	48	-1.0	-38.58	392.06	2.03	-36.55
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553403	0	31	-1.0	-38.04	293.75	2.83	-35.21
O=C(CCCCCNC(=O)NC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025553404	0	51	-1.0	-42.89	409.63	1.62	-41.27
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC(Cl)=C1	REAL300025553405	0	38	-1.0	-38.96	334.77	3.00	-35.96
CC(=O)NCC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025553406	0	42	-1.0	-43.63	356.58	0.33	-43.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553407	0	41	-2.0	-96.57	368.59	1.96	-94.61
CN1C(=O)CCC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(C(F)(F)F)C=C1	REAL300025553408	0	44	-1.0	-36.73	369.76	3.90	-32.83
COC1=C(OC)C=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025553409	0	36	-1.0	-38.17	313.54	0.21	-37.96
O=C(CC1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025553410	0	24	-1.0	-36.18	257.65	1.57	-34.61
COC1=CC=C(S(=O)(=O)CC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553411	0	40	-1.0	-41.90	350.23	-0.40	-42.30
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C([N+](=O)[O-])S1	REAL300025553412	0	37	-1.0	-44.32	341.28	2.04	-42.28
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553413	0	38	-1.0	-42.14	350.05	1.85	-40.29
O=C(CSC1=CC=CS1)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553414	0	39	-1.0	-43.03	369.04	3.36	-39.67
NC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553415	0	42	-1.0	-46.63	373.59	-1.86	-48.49
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553416	0	40	-1.0	-36.94	341.68	0.23	-36.71
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C1	REAL300025553417	0	48	-1.0	-41.61	387.82	2.71	-38.90
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025553418	0	35	-1.0	-51.28	332.03	-0.67	-51.95
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025553419	0	41	-1.0	-51.87	369.01	2.02	-49.85
CC1=CC(OC(F)F)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025553420	0	28	-1.0	-40.71	272.94	1.40	-39.31
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553421	0	43	-1.0	-38.16	359.44	2.45	-35.71
CC(C)C1=CC=C2C(=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025553422	0	36	-1.0	-37.60	333.02	4.87	-32.73
CC1=CN2C=C(COC3=CC=CC=C3C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025553423	0	44	-1.0	-45.75	377.50	6.73	-39.02
CC1CCC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)CC1	REAL300025553424	0	44	-1.0	-38.94	348.02	2.66	-36.28
O=C(NCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300025553425	0	34	-1.0	-45.65	312.15	0.42	-45.23
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)C(F)F)C=CS1	REAL300025553426	0	27	-1.0	-40.52	274.09	-1.10	-41.62
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025553427	0	46	-1.0	-38.59	359.46	6.31	-32.28
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2F)C(C)=C1	REAL300025553428	0	37	-1.0	-40.08	328.55	3.44	-36.64
COC1=CC=C(C=O)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553429	0	34	-1.0	-40.29	306.09	0.70	-39.59
COC1=CC=CC=C1CC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553430	0	40	-1.0	-37.54	321.56	2.94	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300025553431	0	38	-1.0	-36.34	334.79	3.28	-33.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300025553432	0	38	-1.0	-43.98	334.39	1.55	-42.43
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553433	0	41	-1.0	-38.66	339.38	1.06	-37.60
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025553434	0	41	-1.0	-45.77	337.11	2.80	-42.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1	REAL300025553435	0	35	-1.0	-36.03	322.46	4.02	-32.01
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025553436	0	33	-1.0	-42.65	308.00	0.40	-42.25
O=C(CC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025553437	0	27	-1.0	-36.39	280.70	2.74	-33.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300025553438	0	33	-1.0	-42.47	315.93	1.75	-40.72
CN1C=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025553439	0	33	-1.0	-42.26	296.45	0.57	-41.69
CC(C)(CCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553440	0	42	-1.0	-36.58	341.30	5.05	-31.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCC(O)CC2)C=C1	REAL300025553441	0	40	-1.0	-38.59	324.92	-1.02	-39.61
C[NH+](C)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025553442	0	39	0.0	-54.66	326.64	3.31	-51.35
CCN(CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553443	0	44	-1.0	-35.93	362.50	2.73	-33.20
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553443	1	45	0.0	-50.54	358.73	4.80	-45.74
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553444	0	43	-1.0	-38.16	356.41	2.41	-35.75
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025553445	0	44	-1.0	-41.33	371.63	3.05	-38.28
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553446	0	46	-1.0	-44.57	364.91	3.74	-40.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CN(C)N=C2)=N1	REAL300025553447	0	33	-1.0	-40.14	309.82	0.38	-39.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)CC2=NOC=N2)=C1	REAL300025553448	0	35	-1.0	-47.53	337.12	-2.78	-50.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CN1	REAL300025553449	0	22	-1.0	-35.54	236.48	-0.07	-35.61
COC1=CC=C(C2C(C(=O)NCC3=NC(=O)O[N-]3)CCC(=O)N2C)C=C1	REAL300025553450	0	45	-1.0	-38.23	360.51	2.19	-36.04
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553451	0	45	-1.0	-37.55	350.93	1.14	-36.41
CC(C)(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2F)=N1	REAL300025553452	0	43	-1.0	-38.16	375.04	4.47	-33.69
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL300025553453	0	40	-1.0	-44.90	332.14	1.03	-43.87
CCN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025553454	0	40	-1.0	-41.81	327.75	1.69	-40.12
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553455	0	42	-1.0	-42.72	336.42	0.09	-42.63
CC1=NN=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025553456	0	32	-1.0	-39.38	293.94	-2.28	-41.66
CC1=NOC(C)=C1S(=O)(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025553457	0	44	-1.0	-43.06	363.64	-0.68	-43.74
O=C(CC1=CC=C(S(=O)(=O)CC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553458	0	36	-1.0	-45.48	345.19	0.66	-44.82
COC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025553459	0	34	-1.0	-38.79	304.37	2.36	-36.43
CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NN1	REAL300025553460	0	33	-1.0	-41.32	298.15	1.77	-39.55
NC(=O)CCC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025553461	0	41	-1.0	-52.54	362.47	0.06	-52.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NS1	REAL300025553462	0	30	-1.0	-36.80	285.97	2.26	-34.54
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553463	0	37	-1.0	-37.95	329.39	1.93	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=NNC(=O)C=C1	REAL300025553464	0	40	-1.0	-47.25	337.61	-0.34	-47.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C2=CC=CC=C2)=N1	REAL300025553465	0	33	-1.0	-38.42	299.25	0.22	-38.20
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025553466	0	39	-1.0	-50.40	345.14	3.69	-46.71
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H](O)CN1C(=O)OCC1=CC=CC=C1	REAL300025553467	0	43	-1.0	-46.72	373.23	-0.04	-46.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300025553468	0	36	0.0	-59.04	310.55	2.09	-56.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=NC=C2)C=C1	REAL300025553468	1	35	-1.0	-39.47	307.20	1.63	-37.84
COC1=CC=CC(NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553469	0	40	-1.0	-40.46	341.39	3.03	-37.43
O=C(CCNC1=NC=C(C(F)(F)F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025553470	0	34	-1.0	-37.06	331.15	1.61	-35.45
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC1=CC=NC=C1	REAL300025553471	0	37	-1.0	-39.04	326.38	2.90	-36.14
N#CC1=CC=C(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553472	0	39	-1.0	-41.37	353.22	4.73	-36.64
CCC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553473	0	36	-1.0	-35.35	318.97	4.37	-30.98
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553474	0	38	-1.0	-43.14	335.95	2.49	-40.65
N#CCC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025553475	0	39	-1.0	-42.51	352.00	5.08	-37.43
COCCOC1=CC=C(N2N=C(C)C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025553476	0	44	-1.0	-40.44	383.24	0.75	-39.69
O=C(C=CC1=CSC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025553477	0	25	-1.0	-36.11	267.41	1.92	-34.19
CN(C)S(=O)(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL300025553478	0	32	-1.0	-48.03	303.50	-0.68	-48.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL300025553479	0	35	-1.0	-35.04	312.26	1.40	-33.64
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C1CCCCC1	REAL300025553480	0	51	-1.0	-45.12	402.86	5.48	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL300025553481	0	31	-1.0	-42.71	299.38	-0.98	-43.69
CCCCN(C)C1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553482	0	44	-1.0	-38.90	373.50	4.93	-33.97
COC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)O2)C=C1	REAL300025553483	0	37	-1.0	-40.67	330.28	-0.35	-41.02
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300025553484	0	44	-1.0	-39.62	353.95	6.28	-33.34
O=C(CCNC(=O)C1=NC=CC=C1O)NCC1=NC(=O)O[N-]1	REAL300025553485	0	34	-1.0	-45.57	308.29	-2.98	-48.55
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NC(=O)O[N-]1	REAL300025553485	1	33	-2.0	-96.02	304.73	-1.97	-97.99
CC1=CC(F)=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025553486	0	37	-1.0	-37.21	329.70	5.27	-31.94
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)C=C1	REAL300025553487	0	26	-1.0	-34.87	262.94	1.51	-33.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300025553488	0	34	-1.0	-38.15	304.67	2.15	-36.00
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553489	0	34	-1.0	-35.50	297.96	3.02	-32.48
N#CC1=CC(Cl)=CC=C1OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553490	0	36	-1.0	-42.30	348.25	4.86	-37.44
N#CC1=C(Cl)C=CC=C1OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553491	0	36	-1.0	-45.34	346.93	4.76	-40.58
CC1=CC=C(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025553492	0	40	-1.0	-40.73	348.89	3.15	-37.58
CC(C)N1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1C(F)(F)F	REAL300025553493	0	39	-1.0	-38.39	342.14	3.67	-34.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1	REAL300025553494	0	34	-1.0	-37.41	320.65	2.70	-34.71
CC1=CC=C(N2CCCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553495	0	39	-1.0	-39.97	317.98	3.37	-36.60
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)C1=CC=CC=C1	REAL300025553496	0	41	-1.0	-51.30	328.60	3.23	-48.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC(Br)=CC=C2N1	REAL300025553497	0	30	-1.0	-40.81	293.06	1.48	-39.33
O=C(CSC1=NC=CN1C1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553498	0	38	-1.0	-39.47	364.82	5.10	-34.37
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCOCC2)C=C1	REAL300025553499	0	41	-1.0	-36.44	327.18	2.67	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(COC2=CC=CC(F)=C2)=C1	REAL300025553500	0	38	-1.0	-40.50	338.82	4.38	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCC1	REAL300025553501	0	38	-1.0	-41.46	314.01	4.49	-36.97
O=C(CN1C(=O)CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025553502	0	35	-1.0	-43.30	300.91	2.42	-40.88
O=C(CCC1NC(=O)N(C2=CC=C(Cl)C=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025553503	0	39	-1.0	-42.14	353.23	1.17	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC2=CC=CC=C21	REAL300025553504	0	37	-1.0	-38.95	316.25	5.19	-33.76
N#CC1=CC=CC(OCCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553505	0	38	-1.0	-39.62	339.46	3.30	-36.32
CC(C)COC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553506	0	46	-1.0	-37.28	369.71	4.38	-32.90
O=C(NCC1=NC(=O)O[N-]1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025553507	0	41	0.0	-52.50	334.32	0.91	-51.59
O=C(NCC1=NC(=O)O[N-]1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025553507	1	41	0.0	-52.26	334.54	0.88	-51.38
NS(=O)(=O)C1=CC=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=C1	REAL300025553508	0	40	-1.0	-44.56	354.11	-3.06	-47.62
CC1=CC=C(NC(=O)N(C)C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553509	0	39	-1.0	-38.88	324.90	1.93	-36.95
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553510	0	35	-1.0	-41.34	315.62	-1.48	-42.82
O=C(CC1=NOC(C2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025553511	0	33	-1.0	-42.88	299.94	2.85	-40.03
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=NC=CC=C2Cl)N=C1	REAL300025553512	0	33	-1.0	-45.31	315.35	3.56	-41.75
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(I)=C1	REAL300025553513	0	21	-1.0	-34.81	240.67	1.19	-33.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1CCOCC1	REAL300025553514	0	37	-1.0	-38.48	312.86	1.28	-37.20
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025553515	0	44	-1.0	-50.20	351.96	3.56	-46.64
CC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025553516	0	33	-1.0	-42.15	297.99	0.11	-42.04
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCOC1=CC=CC=C12	REAL300025553517	0	36	-1.0	-37.32	300.60	2.75	-34.57
O=C(CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025553518	0	39	-1.0	-39.56	353.24	4.44	-35.12
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC(Cl)=CC(Cl)=C1	REAL300025553519	0	31	-1.0	-35.55	307.13	4.09	-31.46
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553520	0	43	-1.0	-37.54	363.22	3.16	-34.38
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553521	0	40	-1.0	-38.06	348.25	2.64	-35.42
N#CC1=CC=CC(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025553522	0	39	-1.0	-42.56	353.24	4.71	-37.85
CCOC(=O)N1C(C(=O)NCC2=NC(=O)O[N-]2)CCC1C1=CC=C(C)O1	REAL300025553523	0	45	-1.0	-47.27	381.77	3.49	-43.78
CC(C)C(=O)N(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553524	0	43	-1.0	-41.89	355.35	3.36	-38.53
CC(C)=CCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553525	0	38	-1.0	-38.49	324.78	3.30	-35.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=NC=CS2)=C1	REAL300025553526	0	31	-1.0	-39.91	296.30	-0.22	-40.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300025553527	0	33	-1.0	-40.54	302.34	-0.45	-40.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SCC1CCCCC1	REAL300025553528	0	43	-1.0	-38.13	357.91	4.65	-33.48
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553529	0	39	-1.0	-45.97	352.62	4.75	-41.22
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C1CCCC1	REAL300025553530	0	48	-1.0	-45.28	385.54	4.83	-40.45
CC(OC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553531	0	31	-1.0	-37.06	292.60	2.86	-34.20
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025553532	0	38	-1.0	-40.95	326.90	2.85	-38.10
CCC1=NC(COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025553533	0	39	-1.0	-41.02	345.36	0.62	-40.40
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025553534	0	35	-1.0	-38.70	335.41	-0.98	-39.68
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553535	0	41	-1.0	-47.35	365.42	-4.86	-52.21
CC(C)(NC(=O)NC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553536	0	39	-1.0	-36.12	326.69	0.20	-35.92
CN1CCC(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025553537	0	37	-1.0	-37.86	305.94	-1.01	-38.87
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025553538	0	39	-1.0	-45.49	374.16	-4.40	-49.89
O=C(NCC1=NC(=O)O[N-]1)C1(SC2=CC=CC=C2)CCCC1	REAL300025553539	0	38	-1.0	-37.44	318.10	4.36	-33.08
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL300025553540	0	40	-1.0	-36.89	335.37	5.48	-31.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=CC=C2Cl)N=N1	REAL300025553541	0	33	-1.0	-41.94	330.92	2.86	-39.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCNC2=O)=CC=C1Cl	REAL300025553542	0	34	-1.0	-38.70	306.08	0.29	-38.41
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025553543	0	43	-1.0	-38.29	358.82	6.46	-31.83
COCCOCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025553544	0	38	-1.0	-38.95	335.35	1.21	-37.74
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553545	0	41	-1.0	-42.84	352.90	-3.02	-45.86
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)N2CCC3=C(C=CS3)C2)C1	REAL300025553546	0	47	-1.0	-46.34	381.14	3.66	-42.68
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1Br	REAL300025553547	0	31	-1.0	-41.56	308.09	2.90	-38.66
CC1=CC=C(NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)N=N1	REAL300025553548	0	37	-1.0	-43.03	324.68	2.54	-40.49
CC(C)(SC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553549	0	34	-1.0	-35.32	312.17	3.73	-31.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl	REAL300025553550	0	36	-1.0	-50.16	330.85	0.15	-50.01
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)NC(C)(C)C	REAL300025553551	0	45	-1.0	-47.48	366.12	1.54	-45.94
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025553552	0	41	-1.0	-40.06	355.60	1.81	-38.25
COC1=CC=C(COCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553553	0	38	-1.0	-37.97	330.68	1.13	-36.84
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300025553554	0	34	-1.0	-48.51	321.22	3.20	-45.31
N#CC1=CC=C(NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553555	0	37	-1.0	-39.61	333.33	3.79	-35.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL300025553556	0	34	-1.0	-41.85	300.82	0.50	-41.35
O=C(CCSC1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553557	0	37	-1.0	-38.95	330.44	2.14	-36.81
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025553558	0	38	-1.0	-37.25	327.90	1.36	-35.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)NC1=O	REAL300025553559	0	37	-1.0	-50.79	301.17	1.13	-49.66
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553560	0	41	-1.0	-40.42	335.75	1.10	-39.32
O=C(NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1)OCC1=CC=CC=C1	REAL300025553561	0	45	-1.0	-38.45	395.88	4.03	-34.42
COC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553562	0	28	-1.0	-40.03	269.73	2.23	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC=CC=N2)=N1	REAL300025553563	0	31	-1.0	-42.63	296.01	1.60	-41.03
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=C(Cl)C=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300025553564	0	33	-1.0	-40.15	340.74	3.93	-36.22
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)N=C1	REAL300025553565	0	30	-1.0	-37.41	286.51	0.74	-36.67
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553566	0	36	-1.0	-36.70	319.32	3.96	-32.74
CC(C)C1=CC=C(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553567	0	42	-1.0	-35.75	340.81	4.90	-30.85
O=C(CCS(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553568	0	38	-1.0	-48.69	342.43	-0.24	-48.93
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(OC(F)F)C=C1F	REAL300025553569	0	28	-1.0	-41.04	276.57	0.57	-40.47
COC1=CC=C(SCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025553570	0	39	-1.0	-38.99	344.64	2.20	-36.79
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553571	0	36	-1.0	-35.80	321.20	4.01	-31.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C(F)C=C21	REAL300025553572	0	30	-1.0	-40.71	274.40	0.18	-40.53
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553573	0	46	-1.0	-38.23	360.29	0.20	-38.03
COC1=CC=C(S(=O)(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025553574	0	41	-1.0	-44.90	365.15	-1.24	-46.14
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553575	0	36	-1.0	-36.79	321.54	4.02	-32.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300025553576	0	32	-1.0	-42.04	307.50	3.25	-38.79
CN1C(=O)N(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Br)C=C21	REAL300025553577	0	34	-1.0	-38.84	317.08	2.60	-36.24
CN(C)C(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553578	0	36	-1.0	-48.97	309.74	0.79	-48.18
O=C(CC1=CSC(C2=COC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025553579	0	30	-1.0	-42.33	292.51	0.69	-41.64
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300025553580	0	33	-1.0	-44.73	317.52	1.76	-42.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300025553581	0	26	-1.0	-34.10	265.56	2.34	-31.76
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=CC=N1	REAL300025553582	0	38	-1.0	-43.67	321.28	0.30	-43.37
CC(O)C(NS(=O)(=O)C1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553583	0	36	-1.0	-38.43	341.46	-5.50	-43.93
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CN(C)N=C1	REAL300025553584	0	42	-1.0	-42.55	364.32	2.00	-40.55
O=C(CCC1=NC(C2=COC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025553585	0	32	-1.0	-40.23	300.00	-0.87	-41.10
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300025553586	0	33	-1.0	-39.41	317.17	2.57	-36.84
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025553587	0	29	-1.0	-38.72	287.82	2.80	-35.92
O=C(CC1CN(CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025553588	0	43	-1.0	-39.50	353.18	1.73	-37.77
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025553588	1	44	0.0	-62.97	348.87	3.95	-59.02
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025553588	1	44	0.0	-62.39	355.65	4.00	-58.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1CCOCC1	REAL300025553589	0	40	-1.0	-37.93	324.01	0.94	-36.99
COC1=CC=C(NC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025553590	0	36	-1.0	-40.41	329.51	0.81	-39.60
O=C(CC1=CNC2=CC=C(Cl)C=C12)NCC1=NC(=O)O[N-]1	REAL300025553591	0	31	-1.0	-41.12	294.46	2.29	-38.83
O=C(CCSCC1=NC(=O)C2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025553592	0	39	-1.0	-54.34	356.27	1.92	-52.42
COC1=CC=CC(CC2(C(=O)NCC3=NC(=O)O[N-]3)CC3CCC2C3)=C1	REAL300025553593	0	48	-1.0	-39.83	369.04	4.81	-35.02
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025553594	0	36	-1.0	-45.63	318.24	3.11	-42.52
CC1=CSC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025553595	0	33	-1.0	-37.81	307.36	2.53	-35.28
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553596	0	35	-1.0	-37.52	314.68	1.04	-36.48
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1CCC2	REAL300025553597	0	36	-1.0	-46.49	319.58	-2.12	-48.61
O=C(CN1CCN(C2=CC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553598	0	40	-1.0	-41.31	327.87	-0.52	-41.83
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1Cl	REAL300025553599	0	35	-1.0	-39.28	314.26	1.76	-37.52
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553600	0	35	-1.0	-41.09	321.90	4.11	-36.98
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553601	0	43	-1.0	-38.24	336.75	-0.38	-38.62
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300025553602	0	35	-1.0	-37.71	305.00	3.33	-34.38
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300025553603	0	33	-1.0	-39.59	302.58	2.07	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300025553604	0	30	-1.0	-37.88	274.03	0.15	-37.73
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=C1C(=O)NC(=O)N2	REAL300025553605	0	32	-1.0	-37.94	289.97	-2.73	-40.67
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(F)=C1	REAL300025553606	0	39	-1.0	-47.38	344.51	3.60	-43.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCCCC2)=N1	REAL300025553607	0	37	-1.0	-39.90	310.82	2.00	-37.90
CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025553608	0	41	-1.0	-37.96	334.56	2.25	-35.71
CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)[NH+]=C1	REAL300025553608	1	42	0.0	-53.09	335.36	2.54	-50.55
COCCNS(=O)(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553609	0	37	-1.0	-42.35	341.46	-5.12	-47.47
CC(C)NS(=O)(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553610	0	36	-1.0	-41.70	328.11	-3.54	-45.24
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553611	0	33	-1.0	-43.90	321.06	-7.72	-51.62
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553611	1	32	-2.0	-92.94	319.84	-8.11	-101.05
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025553612	0	43	0.0	-46.12	339.99	4.60	-41.52
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025553612	1	43	0.0	-47.69	330.52	4.45	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC=C1	REAL300025553612	1	42	-1.0	-37.29	337.80	2.35	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300025553613	0	37	-1.0	-48.51	322.90	0.20	-48.31
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300025553614	0	33	-1.0	-46.37	305.35	0.69	-45.68
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025553615	0	37	-1.0	-47.27	348.66	0.12	-47.15
O=C(CCSC1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553616	0	40	-1.0	-38.72	348.76	2.93	-35.79
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553617	0	42	-1.0	-42.83	353.77	0.86	-41.97
COCCC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553618	0	40	-1.0	-37.11	352.64	3.43	-33.68
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1	REAL300025553619	0	36	-1.0	-45.82	342.09	0.79	-45.03
CC1=CC=C(N2[N-]C(C(=O)NCC3=NC(=O)O[N-]3)=CC2=O)C=C1	REAL300025553620	0	34	-2.0	-89.42	309.36	1.38	-88.04
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL300025553621	0	29	-1.0	-38.94	282.42	-0.31	-39.25
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Br)S2)=N1	REAL300025553622	0	27	-1.0	-42.02	301.68	1.62	-40.40
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL300025553623	0	29	-1.0	-38.27	275.60	0.02	-38.25
CSC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553624	0	35	-1.0	-38.09	311.49	3.24	-34.85
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553625	0	47	-1.0	-40.01	389.34	2.07	-37.94
CCCNC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553626	0	37	-1.0	-44.50	320.54	0.93	-43.57
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300025553627	0	51	-1.0	-42.57	414.34	5.51	-37.06
CC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025553628	0	32	-1.0	-43.34	294.02	-2.29	-45.63
O=C(NCC1=NC(=O)O[N-]1)C1CN(CC2=NC3=CC=CC=C3C(=O)N2)CCO1	REAL300025553629	0	45	-1.0	-43.31	377.97	0.33	-42.98
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300025553630	0	39	-1.0	-41.24	314.12	0.15	-41.09
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553631	0	38	-1.0	-43.54	331.89	1.73	-41.81
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553632	0	33	-1.0	-43.33	319.63	-0.34	-43.67
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300025553633	0	48	-1.0	-43.00	396.91	4.59	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL300025553634	0	37	-1.0	-37.88	317.24	1.25	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)(F)F)=C1	REAL300025553635	0	30	-1.0	-36.15	289.93	-0.82	-36.97
O=C(CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553636	0	42	-1.0	-44.92	369.22	-0.50	-45.42
CC(C)CNC(=O)N1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553637	0	48	-1.0	-47.89	377.07	2.07	-45.82
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025553638	0	48	0.0	-58.27	375.53	3.47	-54.80
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553639	0	45	0.0	-58.21	354.12	2.80	-55.41
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553640	0	44	0.0	-57.91	351.87	2.22	-55.69
O=C(CCN1CCN(C2=CC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553640	1	43	-1.0	-38.96	349.29	-0.06	-39.02
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025553641	0	45	0.0	-59.32	358.16	2.37	-56.95
CN1CCN(CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025553641	1	44	-1.0	-38.15	355.15	0.00	-38.15
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCCCC1	REAL300025553642	0	37	-1.0	-36.16	302.37	3.81	-32.35
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2CC1=CC=CC=C1	REAL300025553643	0	48	-1.0	-47.13	406.65	6.25	-40.88
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553644	0	45	-1.0	-50.01	371.80	3.77	-46.24
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025553645	0	44	-1.0	-38.08	385.72	2.61	-35.47
CC(C)=CCSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553646	0	38	-1.0	-39.74	329.89	4.89	-34.85
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C1	REAL300025553647	0	45	-1.0	-46.13	369.17	0.71	-45.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCNC2=O)=CC=C1F	REAL300025553648	0	34	-1.0	-39.85	298.12	-0.15	-40.00
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025553649	0	46	-1.0	-37.53	383.94	3.71	-33.82
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1C=O	REAL300025553650	0	27	-1.0	-35.68	267.22	0.66	-35.02
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1=NC(=O)O[N-]1	REAL300025553651	0	44	0.0	-54.41	314.25	1.13	-53.28
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300025553652	0	51	-1.0	-41.88	412.53	5.01	-36.87
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553653	0	39	-1.0	-58.82	353.15	1.68	-57.14
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025553654	0	37	-1.0	-37.44	326.48	0.94	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL300025553655	0	40	-1.0	-37.56	333.08	1.23	-36.33
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300025553655	1	41	0.0	-52.07	328.29	3.32	-48.75
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300025553655	1	41	0.0	-55.93	335.44	3.49	-52.44
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300025553656	0	43	-1.0	-49.36	366.16	3.16	-46.20
O=C(CCN1C(=O)CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025553657	0	38	-1.0	-41.46	321.93	2.87	-38.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300025553658	0	35	-1.0	-36.59	341.94	4.93	-31.66
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553659	0	42	-1.0	-49.07	360.17	1.14	-47.93
CC(C)C1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025553660	0	44	-1.0	-47.19	359.27	4.07	-43.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL300025553661	0	36	-1.0	-39.52	312.47	3.38	-36.14
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025553662	0	41	-1.0	-39.43	348.22	3.91	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300025553663	0	40	-1.0	-43.45	363.15	2.53	-40.92
CC(C)CNC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553664	0	45	-1.0	-45.08	358.55	1.37	-43.71
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025553665	0	46	-1.0	-42.46	384.62	2.81	-39.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300025553666	0	34	-1.0	-40.38	313.60	-2.81	-43.19
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025553667	0	45	0.0	-59.92	357.22	2.19	-57.73
CN1CC[NH+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025553667	1	45	0.0	-63.09	357.56	2.26	-60.83
CN1CCN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025553667	1	44	-1.0	-37.44	355.20	0.01	-37.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCOC2=O)=CC=C1F	REAL300025553668	0	33	-1.0	-57.43	294.34	1.20	-56.23
CC1=C2NC=C(CCC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025553669	0	37	-1.0	-39.65	320.29	3.24	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300025553670	0	34	-1.0	-38.93	339.13	2.29	-36.64
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553671	0	48	-1.0	-36.38	374.43	1.55	-34.83
CN1CCN(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)CC1	REAL300025553672	0	37	-1.0	-37.31	321.47	-1.84	-39.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCCC1	REAL300025553673	0	41	-1.0	-41.34	329.86	5.05	-36.29
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553674	0	43	-1.0	-39.82	362.04	2.11	-37.71
CCS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553675	0	38	-1.0	-46.99	342.51	-1.24	-48.23
O=C(NCC1=NC(=O)O[N-]1)C1=C(CCC(F)(F)F)OC=N1	REAL300025553676	0	29	-1.0	-40.37	279.24	-1.58	-41.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300025553677	0	29	-1.0	-38.74	284.13	3.72	-35.02
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NCC1=NC(=O)O[N-]1	REAL300025553678	0	35	-1.0	-43.97	310.89	1.20	-42.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025553679	0	24	-1.0	-35.12	248.10	1.71	-33.41
O=C(COC1=CC(Cl)=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025553680	0	28	-1.0	-36.42	288.13	2.64	-33.78
CC1=NC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025553681	0	33	-1.0	-42.53	305.63	2.48	-40.05
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025553682	0	39	-1.0	-45.04	330.60	-0.54	-45.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025553683	0	34	-1.0	-38.18	314.19	4.65	-33.53
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553684	0	46	-1.0	-48.34	386.94	1.00	-47.34
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2CCCC2)C1	REAL300025553685	0	46	-1.0	-45.65	362.25	2.00	-43.65
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=N2)N=N1	REAL300025553686	0	32	-1.0	-46.75	298.33	-0.58	-47.33
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553687	0	41	-1.0	-41.57	335.10	2.58	-38.99
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1OC	REAL300025553688	0	39	-1.0	-43.43	338.79	-0.61	-44.04
CN(CCCC(=O)NCC1=NC(=O)O[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025553689	0	42	-1.0	-57.27	366.40	0.39	-56.88
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025553690	0	33	-1.0	-37.29	294.50	3.07	-34.22
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC(OC(F)F)=C1	REAL300025553691	0	35	-1.0	-41.24	316.20	0.64	-40.60
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C(F)C=C1	REAL300025553692	0	32	-1.0	-41.64	291.36	2.64	-39.00
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025553693	0	40	-1.0	-39.66	363.29	0.07	-39.59
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300025553694	0	43	-1.0	-38.36	352.40	5.31	-33.05
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300025553695	0	35	-1.0	-43.99	314.73	2.70	-41.29
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553696	0	34	-1.0	-36.36	316.92	3.33	-33.03
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025553697	0	50	-1.0	-35.44	383.62	2.06	-33.38
CCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025553698	0	39	-1.0	-50.14	346.31	4.05	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300025553699	0	33	-1.0	-42.25	336.73	1.00	-41.25
CC(C)(C)C(=O)N1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553700	0	41	-1.0	-45.46	326.05	0.38	-45.08
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025553701	0	43	-1.0	-39.77	360.92	5.12	-34.65
CCC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025553702	0	37	-1.0	-39.99	327.70	4.24	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300025553703	0	35	-1.0	-35.35	342.57	4.96	-30.39
CC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553704	0	27	-1.0	-36.55	258.48	2.35	-34.20
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300025553705	0	39	-1.0	-38.21	322.28	4.90	-33.31
CC1=NOC(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025553706	0	32	-1.0	-43.87	291.37	1.17	-42.70
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553707	0	34	-1.0	-50.60	319.25	-4.44	-55.04
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C2OCCOC2=C1	REAL300025553708	0	38	-1.0	-44.63	329.50	1.73	-42.90
O=CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025553709	0	30	-1.0	-44.91	298.25	2.00	-42.91
CC1=CC=C(CN2C(=O)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553710	0	41	-1.0	-39.70	349.63	3.35	-36.35
CC(C)(C)C(=O)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025553711	0	37	-1.0	-51.44	323.66	0.08	-51.36
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1C1CCS(=O)(=O)C1	REAL300025553712	0	43	-1.0	-51.90	367.01	0.64	-51.26
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL300025553713	0	34	-1.0	-50.27	323.72	-8.06	-58.33
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCO1	REAL300025553714	0	48	-1.0	-45.10	382.20	2.31	-42.79
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553715	0	34	-1.0	-44.20	310.23	2.96	-41.24
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(F)=C1)N1CCOCC1	REAL300025553716	0	40	-1.0	-37.29	335.00	0.57	-36.72
CC(C(=O)NCC1=NC(=O)O[N-]1)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300025553717	0	50	-1.0	-40.83	395.12	3.07	-37.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC1=CC=CC=C1	REAL300025553718	0	35	-1.0	-39.96	314.43	5.05	-34.91
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300025553719	0	34	-1.0	-45.17	301.47	2.52	-42.65
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1C=NC=N1	REAL300025553720	0	33	-1.0	-39.07	289.90	4.52	-34.55
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553721	0	33	-1.0	-38.90	290.33	4.25	-34.65
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553722	0	38	-1.0	-41.51	324.17	0.24	-41.27
CC(C(=O)NCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300025553723	0	35	-1.0	-41.39	315.96	1.39	-40.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL300025553724	0	36	-1.0	-36.35	313.36	3.54	-32.81
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025553725	0	50	-1.0	-38.71	403.46	3.46	-35.25
O=C(C=CC1=CC(Br)=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025553726	0	34	-1.0	-39.45	320.45	2.06	-37.39
COCCCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553727	0	38	-1.0	-39.97	327.63	1.14	-38.83
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL300025553728	0	36	-1.0	-45.42	321.14	-1.42	-46.84
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1NC(=O)CC(C)C	REAL300025553729	0	43	-1.0	-44.07	354.37	3.01	-41.06
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC(F)F	REAL300025553730	0	36	-1.0	-38.63	322.63	0.60	-38.03
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025553731	0	41	-1.0	-43.03	337.78	2.86	-40.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOCC2)C=C1	REAL300025553732	0	39	-1.0	-37.85	322.91	1.42	-36.43
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1CCNC1=O	REAL300025553733	0	38	-1.0	-46.68	330.13	-0.56	-47.24
CC(C)CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025553734	0	40	-1.0	-39.01	340.68	2.23	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C(Br)=C1	REAL300025553735	0	24	-1.0	-40.26	246.25	-1.40	-41.66
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553736	0	40	-1.0	-50.13	358.54	-0.96	-51.09
O=C(C=CC1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025553737	0	25	-1.0	-35.96	267.36	1.95	-34.01
CCC(CC)C(C(=O)NCC1=NC(=O)O[N-]1)N1CCOCC1	REAL300025553738	0	45	-1.0	-35.95	323.06	1.94	-34.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL300025553739	0	30	-1.0	-42.42	283.64	1.76	-40.66
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CCCC2)=N1	REAL300025553740	0	36	-1.0	-35.99	312.43	2.19	-33.80
CC(CC(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553741	0	35	-1.0	-41.27	307.27	3.05	-38.22
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553742	0	28	-1.0	-37.55	280.30	2.59	-34.96
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025553743	0	36	-1.0	-35.07	313.73	4.35	-30.72
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCCC1	REAL300025553744	0	40	-1.0	-36.67	334.62	4.95	-31.72
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=S)NC(C2CC2)=N1	REAL300025553745	0	33	-1.0	-50.01	306.72	2.07	-47.94
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300025553746	0	32	-2.0	-98.46	293.96	-1.28	-99.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=CO2)=N1	REAL300025553746	1	33	-1.0	-48.81	296.75	-0.17	-48.98
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(C(C)(C)C)=N1	REAL300025553747	0	38	-1.0	-46.44	314.36	0.67	-45.77
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300025553747	1	37	-2.0	-95.61	313.29	-0.40	-96.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2O)=NN1	REAL300025553748	0	32	-1.0	-38.44	291.37	-1.47	-39.91
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025553749	0	35	-2.0	-102.95	318.80	-0.42	-103.37
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025553750	0	31	-2.0	-98.47	295.73	0.35	-98.12
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(=O)O[N-]3)=CC2=O)=N1	REAL300025553751	0	35	-2.0	-98.77	324.87	1.79	-96.98
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(Br)C=C2C1=O	REAL300025553752	0	30	-1.0	-56.31	291.43	1.78	-54.53
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025553752	1	29	-2.0	-86.73	288.20	1.34	-85.39
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025553753	0	31	-2.0	-109.10	293.82	0.43	-108.67
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025553754	0	33	-2.0	-86.53	312.59	0.61	-85.92
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025553754	1	34	-1.0	-48.58	314.93	1.08	-47.50
CC1=CC(F)=CC2=C1NC=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025553755	0	33	-1.0	-55.95	294.38	2.01	-53.94
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025553755	1	32	-2.0	-88.40	293.30	1.66	-86.74
COC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025553756	0	38	-1.0	-39.45	320.42	1.47	-37.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(Br)C=N2)N=N1	REAL300025553757	0	29	-1.0	-39.02	295.89	1.04	-37.98
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(I)=CN=C2C=C1	REAL300025553758	0	27	-1.0	-35.28	275.59	2.54	-32.74
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553759	0	38	-1.0	-43.14	332.94	2.20	-40.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300025553760	0	38	-1.0	-40.24	330.24	4.99	-35.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300025553761	0	28	-1.0	-37.48	264.59	1.96	-35.52
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553762	0	41	-1.0	-44.80	357.23	2.25	-42.55
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025553763	0	44	-1.0	-40.21	367.32	6.22	-33.99
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)NC2=CC=CC=C21	REAL300025553764	0	33	-1.0	-48.55	292.62	0.50	-48.05
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553765	0	42	-1.0	-35.32	357.77	5.66	-29.66
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1Br	REAL300025553766	0	24	-1.0	-40.91	251.18	1.47	-39.44
O=C(CCCCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553767	0	36	-1.0	-36.59	326.88	4.62	-31.97
CCCOC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553768	0	40	-1.0	-37.09	340.00	3.56	-33.53
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553769	0	34	-1.0	-36.57	314.72	4.06	-32.51
O=C(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)OCC(F)(F)F	REAL300025553770	0	35	-1.0	-39.20	329.65	0.66	-38.54
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300025553771	0	34	-1.0	-36.00	320.27	4.28	-31.72
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025553772	0	33	-1.0	-34.77	305.27	1.51	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl	REAL300025553773	0	35	-1.0	-45.79	346.52	4.79	-41.00
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025553774	0	36	-1.0	-48.42	309.58	-0.94	-49.36
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025553775	0	44	-1.0	-39.21	382.63	7.18	-32.03
CCC1=CC=C(C(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)O1	REAL300025553776	0	44	-1.0	-39.95	362.28	2.68	-37.27
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025553777	0	40	-1.0	-41.54	331.61	-0.22	-41.76
CC(C)N1C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553778	0	31	-1.0	-36.93	288.48	2.55	-34.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=NC=N1	REAL300025553779	0	33	-1.0	-39.08	289.73	3.76	-35.32
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)CC1CC1	REAL300025553780	0	44	-1.0	-41.97	360.42	3.24	-38.73
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025553781	0	33	-1.0	-36.98	298.27	3.48	-33.50
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025553782	0	36	-1.0	-50.41	324.81	3.28	-47.13
COC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025553783	0	34	-1.0	-37.39	317.33	1.27	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CS2)N=N1	REAL300025553784	0	30	-1.0	-43.10	293.90	0.33	-42.77
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(Br)=C1)N1CCCC1	REAL300025553785	0	39	-1.0	-36.65	343.40	2.67	-33.98
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1F)N1CCOCC1	REAL300025553786	0	40	-1.0	-40.34	327.49	0.62	-39.72
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300025553787	0	39	-1.0	-52.16	351.27	-0.93	-53.09
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553788	0	40	-1.0	-38.88	340.53	2.06	-36.82
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C2=CC=CC=C2)CC1	REAL300025553789	0	40	-1.0	-37.97	317.64	4.60	-33.37
CC(C)(C)C(=O)NC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025553790	0	39	-1.0	-42.44	344.31	0.88	-41.56
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025553790	1	38	-2.0	-88.54	343.01	-0.22	-88.76
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553791	0	45	-1.0	-39.26	384.12	2.48	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=C3C=CSC3=NC=N2)C1	REAL300025553792	0	40	-1.0	-41.18	341.03	2.53	-38.65
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1	REAL300025553793	0	40	-1.0	-37.48	349.64	1.63	-35.85
O=C(CCC1=NN=CN1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025553794	0	36	-1.0	-41.21	318.61	4.75	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300025553795	0	39	-1.0	-38.02	359.17	3.55	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL300025553796	0	34	-1.0	-43.71	316.94	0.81	-42.90
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553797	0	41	-1.0	-41.44	340.66	1.00	-40.44
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL300025553798	0	43	0.0	-59.36	346.46	4.67	-54.69
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL300025553798	1	43	0.0	-59.41	346.90	4.67	-54.74
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025553799	0	36	-1.0	-38.74	313.42	3.77	-34.97
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025553800	0	44	-1.0	-39.08	371.55	3.06	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1	REAL300025553801	0	34	-1.0	-34.23	333.73	5.66	-28.57
CC(C)C1=NN(C)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025553802	0	36	-1.0	-37.84	327.05	2.06	-35.78
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025553803	0	39	-2.0	-91.07	353.71	-2.79	-93.86
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300025553803	1	40	-1.0	-42.30	354.80	-2.82	-45.12
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553804	0	43	-1.0	-45.48	368.63	-0.67	-46.15
CC1=CC=C2C(CCC(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025553805	0	37	-1.0	-39.56	320.43	3.25	-36.31
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C)=C1Br	REAL300025553806	0	28	-1.0	-37.48	285.13	1.80	-35.68
CC(C)(C)OC(=O)N1CCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553807	0	44	-1.0	-39.26	349.95	1.71	-37.55
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025553808	0	44	-1.0	-43.75	361.67	2.24	-41.51
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300025553809	0	34	-1.0	-36.61	311.01	3.55	-33.06
CCCCCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553810	0	53	-1.0	-35.40	422.22	7.32	-28.08
CC1=C(Br)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553811	0	27	-1.0	-35.19	255.05	2.25	-32.94
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553812	0	41	-1.0	-39.63	353.08	2.19	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL300025553813	0	37	-1.0	-41.48	329.84	2.62	-38.86
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553814	0	41	-1.0	-40.39	353.76	-0.31	-40.70
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025553815	0	27	-1.0	-36.04	275.32	2.18	-33.86
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025553816	0	35	-1.0	-38.91	313.84	-0.51	-39.42
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025553817	0	32	-1.0	-38.14	320.17	2.57	-35.57
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553818	0	39	-1.0	-51.70	334.42	0.33	-51.37
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025553819	0	27	-1.0	-36.98	260.58	2.24	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1F	REAL300025553820	0	27	-1.0	-38.97	263.55	2.11	-36.86
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300025553821	0	37	-1.0	-41.87	335.24	2.62	-39.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)C=C1S(N)(=O)=O	REAL300025553822	0	32	-1.0	-39.12	305.95	-2.64	-41.76
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025553823	0	39	-1.0	-37.41	328.33	4.12	-33.29
CC(C)OC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553824	0	34	-1.0	-36.16	311.67	2.52	-33.64
CC(C)(C)OC(=O)N1CC(OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553825	0	42	-1.0	-42.23	354.66	0.75	-41.48
CN1C=CN=C1CN1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553826	0	42	-1.0	-42.07	336.47	0.68	-41.39
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553826	1	43	0.0	-62.56	338.87	2.89	-59.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300025553827	0	37	-1.0	-40.45	328.40	3.28	-37.17
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025553828	0	44	-1.0	-38.04	353.34	0.63	-37.41
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553829	0	43	-1.0	-38.61	345.20	1.59	-37.02
CC(C)OCCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025553830	0	38	-1.0	-42.83	339.50	-4.09	-46.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300025553831	0	34	-1.0	-38.64	323.86	1.80	-36.84
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025553832	0	37	-1.0	-50.26	322.70	2.38	-47.88
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=C(F)C=C1	REAL300025553833	0	42	-1.0	-36.52	344.76	2.61	-33.91
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025553833	1	43	0.0	-49.98	346.36	4.66	-45.32
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025553833	1	43	0.0	-49.96	346.39	4.68	-45.28
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(F)C=C1	REAL300025553834	0	39	-1.0	-35.81	324.99	1.45	-34.36
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025553835	0	34	-2.0	-75.71	330.91	-0.82	-76.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1I	REAL300025553836	0	30	-1.0	-37.37	288.78	4.40	-32.97
CC1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1C	REAL300025553837	0	37	-1.0	-37.67	310.92	-1.24	-38.91
CCOC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553838	0	44	-1.0	-41.01	385.93	4.22	-36.79
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553838	1	43	-2.0	-87.10	382.50	4.05	-83.05
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553839	0	40	-1.0	-41.10	356.12	4.65	-36.45
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553839	1	39	-2.0	-89.02	352.83	4.50	-84.52
O=C(CSC1=N[N-]C(=S)S1)NCC1=NC(=O)O[N-]1	REAL300025553840	0	23	-2.0	-77.06	267.10	-1.07	-78.13
O=C(CSC1=NNC(=S)S1)NCC1=NC(=O)O[N-]1	REAL300025553840	1	24	-1.0	-37.52	270.52	-0.93	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300025553841	0	26	-1.0	-38.90	266.72	3.34	-35.56
O=C(CCC1=CC(Cl)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025553842	0	30	-1.0	-35.82	301.10	3.52	-32.30
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553843	0	41	-1.0	-39.56	341.72	1.08	-38.48
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025553844	0	51	-1.0	-40.66	390.04	3.71	-36.95
CC1=CC=C(S(=O)(=O)C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025553845	0	43	-1.0	-44.94	362.09	2.22	-42.72
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553846	0	44	-1.0	-43.27	372.87	2.33	-40.94
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553847	0	44	-1.0	-37.08	346.14	3.57	-33.51
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553848	0	47	-1.0	-39.66	390.91	1.84	-37.82
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300025553849	0	42	-1.0	-37.68	348.45	4.95	-32.73
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025553850	0	32	-1.0	-40.58	295.40	-2.99	-43.57
O=C(NCC1=NC(=O)O[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL300025553851	0	38	-1.0	-39.57	327.66	3.00	-36.57
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025553852	0	46	-1.0	-37.56	374.66	7.07	-30.49
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300025553853	0	34	-1.0	-41.88	324.07	3.28	-38.60
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025553854	0	30	-1.0	-36.87	293.60	3.24	-33.63
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300025553855	0	35	-1.0	-41.27	320.70	-2.13	-43.40
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1OCC(F)(F)F	REAL300025553856	0	30	-1.0	-47.70	287.27	1.28	-46.42
COC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC(OC)=C1	REAL300025553857	0	43	-1.0	-42.94	359.40	0.59	-42.35
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553858	0	36	-1.0	-36.27	321.95	3.86	-32.41
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025553859	0	44	-1.0	-41.12	353.48	1.51	-39.61
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025553860	0	34	-2.0	-99.20	317.05	1.31	-97.89
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300025553861	0	36	-1.0	-45.60	322.39	-0.21	-45.81
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CNC(=O)NC1=O	REAL300025553862	0	27	-1.0	-46.33	262.57	-4.02	-50.35
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)F	REAL300025553863	0	35	-1.0	-39.06	314.46	2.67	-36.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300025553864	0	35	-1.0	-36.87	334.12	4.54	-32.33
CNS(=O)(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553865	0	29	-1.0	-41.64	291.19	-3.82	-45.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300025553866	0	32	-1.0	-37.52	298.21	3.10	-34.42
CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553867	0	41	-1.0	-42.45	356.37	-0.47	-42.92
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025553868	0	32	-1.0	-41.88	301.80	-3.95	-45.83
CC1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553869	0	24	-1.0	-34.94	254.37	1.37	-33.57
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553870	0	42	-1.0	-46.16	360.14	5.72	-40.44
COC1=CC=C(OC)C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553871	0	35	-1.0	-40.76	312.07	0.50	-40.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300025553872	0	36	-1.0	-37.50	324.86	1.93	-35.57
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)OC2=CC=CC=C21	REAL300025553873	0	32	-1.0	-50.15	280.93	3.08	-47.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C(I)=CN=C12	REAL300025553874	0	27	-1.0	-45.94	274.95	3.12	-42.82
NC(=O)C1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553875	0	35	-1.0	-40.88	310.07	-1.84	-42.72
CC(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC(F)=C1	REAL300025553876	0	35	-1.0	-38.93	309.25	2.93	-36.00
CC1=CC=C2NC=C(CCC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025553877	0	37	-1.0	-39.68	320.43	3.26	-36.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300025553878	0	34	-1.0	-39.75	313.19	3.29	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC(F)F	REAL300025553879	0	28	-1.0	-38.25	274.92	2.40	-35.85
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1OC	REAL300025553880	0	39	-1.0	-39.23	341.24	0.30	-38.93
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553881	0	37	-1.0	-44.09	349.02	3.86	-40.23
O=C(CCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025553882	0	30	-1.0	-35.79	288.44	3.16	-32.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300025553883	0	36	-1.0	-44.54	339.39	-0.21	-44.75
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553884	0	31	-1.0	-38.44	288.99	1.28	-37.16
CCC(OC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553885	0	34	-1.0	-39.32	302.41	3.38	-35.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300025553886	0	34	-1.0	-42.21	303.24	2.26	-39.95
COCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553887	0	35	-1.0	-43.22	320.65	2.28	-40.94
CC(C)(C)OC(=O)N1CCN(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553888	0	49	-1.0	-39.20	385.78	0.36	-38.84
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553888	1	50	0.0	-62.56	388.09	2.57	-59.99
NC(=O)C1=CC=CC(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553889	0	35	-1.0	-43.67	310.14	-1.86	-45.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300025553890	0	33	-1.0	-44.32	319.20	-0.34	-44.66
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025553891	0	40	-1.0	-39.32	335.51	3.34	-35.98
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CN(C)N=C2)O1	REAL300025553892	0	33	-1.0	-45.02	302.95	-1.98	-47.00
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300025553893	0	45	-1.0	-42.84	379.06	0.93	-41.91
COCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553894	0	38	-1.0	-37.65	327.56	1.16	-36.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300025553895	0	37	-1.0	-40.68	335.54	3.04	-37.64
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300025553896	0	44	-1.0	-39.37	336.92	5.34	-34.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300025553897	0	35	-1.0	-37.16	326.76	4.47	-32.69
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553898	0	36	-1.0	-38.93	341.05	5.40	-33.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025553899	0	33	-1.0	-35.58	326.61	2.97	-32.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C(Cl)=C1	REAL300025553900	0	24	-1.0	-34.59	263.26	2.59	-32.00
O=C(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)NC1CCCCC1	REAL300025553901	0	44	-1.0	-49.90	368.85	0.94	-48.96
CCSC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553902	0	31	-1.0	-38.21	295.02	3.42	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL300025553903	0	29	-1.0	-42.57	281.28	1.99	-40.58
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300025553904	0	31	-1.0	-42.48	297.70	3.84	-38.64
CC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)NC(=O)NC1=O	REAL300025553905	0	36	-1.0	-41.09	317.11	-1.90	-42.99
CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553906	0	58	-1.0	-41.85	466.11	0.97	-40.88
COC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C(C=O)C=C1	REAL300025553907	0	33	-1.0	-49.64	302.98	0.45	-49.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C(Br)C=CC=C12	REAL300025553908	0	30	-1.0	-38.10	286.43	0.85	-37.25
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553909	0	36	-1.0	-37.60	337.49	3.39	-34.21
COC(=O)COC1=C(C)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025553910	0	40	-1.0	-40.21	350.98	3.54	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300025553911	0	34	-1.0	-40.34	309.03	2.25	-38.09
CC1=CC=C(SC2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025553912	0	41	-1.0	-37.54	338.24	5.02	-32.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300025553913	0	36	-1.0	-35.70	323.66	3.97	-31.73
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025553914	0	36	-1.0	-37.44	340.76	3.76	-33.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1F	REAL300025553915	0	27	-1.0	-38.51	264.37	2.13	-36.38
O=C(CC1=CC=CC(I)=C1)NCC1=NC(=O)O[N-]1	REAL300025553916	0	27	-1.0	-36.73	273.53	2.82	-33.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC([N+](=O)[O-])=C1Br	REAL300025553917	0	26	-1.0	-34.26	266.85	2.24	-32.02
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553918	0	40	-1.0	-40.93	363.05	4.02	-36.91
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300025553919	0	41	-1.0	-36.96	321.04	3.71	-33.25
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025553920	0	36	-1.0	-41.51	322.96	1.76	-39.75
CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025553921	0	33	-1.0	-35.82	306.65	3.72	-32.10
CS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553922	0	32	-1.0	-51.83	305.79	-3.95	-55.78
CN(C)C1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553923	0	41	-1.0	-39.07	341.93	3.10	-35.97
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025553924	0	44	-1.0	-42.27	382.14	2.03	-40.24
CC(C)CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025553925	0	46	-1.0	-41.40	362.15	3.03	-38.37
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553926	0	41	-1.0	-38.09	358.48	2.51	-35.58
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553927	0	36	-1.0	-40.60	338.87	-1.52	-42.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=NO1	REAL300025553928	0	32	-1.0	-38.18	296.19	0.97	-37.21
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300025553929	0	53	-1.0	-39.85	403.43	3.79	-36.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(I)=C1	REAL300025553930	0	24	-1.0	-35.01	254.41	2.19	-32.82
CC1=NN(CC(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553931	0	30	-1.0	-39.59	283.65	0.76	-38.83
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553932	0	33	-1.0	-36.07	309.53	3.66	-32.41
CC1=C(S(N)(=O)=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553933	0	29	-1.0	-43.53	280.34	-5.19	-48.72
CN1C=NC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553934	0	32	-1.0	-46.45	303.86	-3.48	-49.93
CC1=CC=C(N2N=C(Br)CC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553935	0	36	-1.0	-37.90	330.45	2.80	-35.10
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025553936	0	29	-1.0	-38.49	291.63	2.87	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300025553937	0	33	-1.0	-36.82	311.62	2.68	-34.14
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025553938	0	34	-1.0	-37.12	317.94	4.39	-32.73
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300025553939	0	38	-1.0	-43.49	349.03	4.35	-39.14
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C=C1F	REAL300025553940	0	24	-1.0	-36.97	258.69	1.63	-35.34
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553941	0	35	-1.0	-37.04	306.99	3.00	-34.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F	REAL300025553942	0	34	-1.0	-40.26	319.65	1.26	-39.00
CC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553943	0	27	-1.0	-37.42	258.80	2.35	-35.07
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025553944	0	30	-1.0	-43.12	304.01	-0.52	-43.64
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC(Cl)=C1	REAL300025553945	0	31	-1.0	-39.63	293.74	1.59	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1Cl	REAL300025553946	0	31	-1.0	-40.00	294.65	1.57	-38.43
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1F	REAL300025553947	0	31	-1.0	-41.09	286.74	1.10	-39.99
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025553948	0	29	-1.0	-37.23	309.54	2.57	-34.66
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025553949	0	35	-1.0	-40.74	321.09	3.71	-37.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300025553950	0	27	-1.0	-34.05	266.57	2.12	-31.93
O=C(CCCC1=CSC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025553951	0	36	-1.0	-39.19	325.00	4.66	-34.53
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553952	0	34	-1.0	-35.35	317.73	2.87	-32.48
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=N2)=NO1	REAL300025553953	0	32	-1.0	-42.55	298.56	1.11	-41.44
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025553954	0	40	-1.0	-38.91	338.60	3.54	-35.37
O=C(CCCC1=C(Cl)SC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025553955	0	30	-1.0	-36.70	311.04	3.42	-33.28
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025553956	0	42	-1.0	-45.25	361.98	3.36	-41.89
CC1=CC(I)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025553957	0	30	-1.0	-36.28	281.83	3.36	-32.92
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025553958	0	40	-2.0	-102.91	349.51	2.20	-100.71
O=CC1=CC=C(OCCN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C(Cl)=C1	REAL300025553959	0	39	-1.0	-47.13	372.84	1.14	-45.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025553960	0	28	-1.0	-34.90	267.10	0.85	-34.05
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025553961	0	28	-1.0	-36.30	277.20	1.50	-34.80
CC1=CC=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553962	0	27	-1.0	-36.32	264.97	2.83	-33.49
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553963	0	35	-1.0	-42.45	323.43	-4.20	-46.65
COC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025553964	0	35	-1.0	-41.70	326.75	0.29	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300025553965	0	24	-1.0	-34.74	257.21	2.13	-32.61
COC1=C(S(N)(=O)=O)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553966	0	30	-1.0	-41.23	298.63	-5.61	-46.84
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553967	0	55	-1.0	-37.44	437.90	0.81	-36.63
COC1=CC=C2OCC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025553968	0	34	-1.0	-38.30	296.46	0.85	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NN1	REAL300025553969	0	31	-1.0	-39.56	287.08	1.23	-38.33
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCCCC1=O	REAL300025553970	0	43	-1.0	-43.89	337.18	3.91	-39.98
CC1=CC=C(N2N=C(Br)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553971	0	34	-1.0	-36.36	321.29	3.19	-33.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)OC2=CC=C(Br)C=C21	REAL300025553972	0	32	-1.0	-43.59	311.20	3.31	-40.28
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553973	0	36	-1.0	-40.38	327.14	0.37	-40.01
CC(CSC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553974	0	34	-1.0	-35.27	309.75	3.64	-31.63
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025553975	0	40	-1.0	-40.19	361.98	5.09	-35.10
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553976	0	35	-1.0	-37.41	302.03	2.90	-34.51
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025553977	0	34	-1.0	-42.08	310.26	0.59	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O	REAL300025553978	0	37	-1.0	-50.76	337.42	4.47	-46.29
CN1C=C(CCC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025553979	0	37	-1.0	-39.90	321.50	4.31	-35.59
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553980	0	45	-1.0	-42.64	370.67	1.42	-41.22
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553981	0	46	-1.0	-39.88	373.00	1.99	-37.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025553982	0	34	-2.0	-83.59	338.19	-0.81	-84.40
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553983	0	39	-1.0	-44.23	352.56	-5.13	-49.36
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553984	0	44	-1.0	-43.43	367.04	1.66	-41.77
COC1=CC2=C(C=C1OC)CN(C(=O)CCC(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025553985	0	49	-1.0	-43.25	401.90	2.39	-40.86
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL300025553986	0	30	-1.0	-42.08	280.54	-0.21	-42.29
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553987	0	36	-1.0	-35.63	313.48	3.89	-31.74
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553988	0	35	-1.0	-42.78	315.40	-2.40	-45.18
CCC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NN1	REAL300025553989	0	36	-1.0	-40.91	319.60	2.41	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300025553990	0	26	-1.0	-33.96	270.61	2.33	-31.63
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553991	0	50	0.0	-62.08	414.26	0.83	-61.25
CC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553992	0	36	-1.0	-37.88	311.90	3.36	-34.52
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025553993	0	37	-1.0	-38.61	319.95	1.98	-36.63
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025553994	0	34	-1.0	-40.25	316.68	2.42	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300025553995	0	27	-1.0	-33.89	276.54	2.53	-31.36
CC1=CC=CC(I)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553996	0	27	-1.0	-38.61	270.55	2.41	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300025553997	0	33	-1.0	-37.18	307.22	3.21	-33.97
CCC(CC1=CC=CC=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025553998	0	36	-1.0	-36.50	309.96	4.49	-32.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300025553999	0	38	-1.0	-39.35	326.43	2.54	-36.81
COC1=CC=C(Br)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554000	0	31	-1.0	-38.56	292.92	1.49	-37.07
CC1=CC2=C(N3CCCC3C(=O)NCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025554001	0	40	-1.0	-42.99	347.35	2.99	-40.00
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025554002	0	39	-1.0	-47.39	354.55	1.50	-45.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300025554003	0	34	-1.0	-40.08	326.65	2.07	-38.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300025554004	0	43	-1.0	-37.45	357.53	6.12	-31.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300025554005	0	31	-1.0	-40.09	292.03	1.74	-38.35
COCCCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554006	0	35	-1.0	-44.95	318.87	-5.01	-49.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300025554007	0	27	-1.0	-36.84	276.09	2.67	-34.17
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554008	0	38	-1.0	-44.89	340.65	2.02	-42.87
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554009	0	37	-1.0	-47.40	313.51	-2.88	-50.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300025554010	0	35	-1.0	-42.92	321.29	3.46	-39.46
CC1=NC(NCC(=O)NCC2=NC(=O)O[N-]2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300025554011	0	43	-1.0	-38.72	385.05	4.13	-34.59
COC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025554012	0	41	-1.0	-40.24	335.50	1.85	-38.39
CC1=CC=CC(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025554013	0	36	-1.0	-37.74	311.91	3.35	-34.39
CC1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)NC(=O)NC1=O	REAL300025554014	0	36	-1.0	-39.65	315.55	-2.22	-41.87
CC1(C)C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025554015	0	35	-1.0	-37.43	304.38	0.55	-36.88
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025554016	0	45	-1.0	-42.74	355.63	1.25	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300025554017	0	28	-1.0	-41.57	276.44	0.58	-40.99
O=C(CSC1=NC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025554018	0	31	-1.0	-39.93	293.72	1.14	-38.79
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(CCO)N=C1C(F)(F)F	REAL300025554019	0	34	-1.0	-40.44	325.72	-2.44	-42.88
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NCC1=NC(=O)O[N-]1	REAL300025554020	0	35	-1.0	-44.44	320.63	2.62	-41.82
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554021	0	40	-2.0	-87.79	362.05	-0.08	-87.87
CC(C)CC1=NN=C(NC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554021	1	41	-1.0	-46.91	365.35	1.05	-45.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1F	REAL300025554022	0	24	-1.0	-37.38	253.45	2.23	-35.15
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300025554023	0	31	-1.0	-37.13	299.56	3.73	-33.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300025554024	0	33	-1.0	-44.61	310.09	1.29	-43.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300025554025	0	35	-1.0	-39.78	342.81	6.16	-33.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025554026	0	37	-1.0	-40.03	349.76	5.80	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C(F)(F)F	REAL300025554027	0	27	-1.0	-35.84	257.67	2.16	-33.68
CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554028	0	31	-1.0	-38.94	289.73	0.47	-38.47
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025554029	0	31	-1.0	-43.72	289.88	0.46	-43.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300025554030	0	32	-1.0	-39.80	285.41	0.32	-39.48
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(SC2=CC=CC=C2)=N1	REAL300025554031	0	37	-1.0	-39.87	336.01	4.21	-35.66
O=C(CCC1=NC(C2CCCC2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025554032	0	38	-1.0	-37.61	324.07	0.41	-37.20
NC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554033	0	42	-1.0	-41.79	368.70	-1.42	-43.21
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554034	0	43	-1.0	-38.79	359.46	4.22	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1	REAL300025554035	0	34	-1.0	-40.04	330.33	2.88	-37.16
CCOCCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554036	0	35	-1.0	-42.90	319.22	-4.84	-47.74
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NS1	REAL300025554037	0	36	-1.0	-37.14	322.38	-1.94	-39.08
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300025554038	0	30	-1.0	-38.48	286.16	2.13	-36.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1CCOCC1	REAL300025554039	0	42	-1.0	-37.03	343.95	2.22	-34.81
CCN1N=C(C(F)(F)F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025554040	0	33	-1.0	-41.27	314.33	0.91	-40.36
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300025554041	0	31	-1.0	-43.70	291.05	1.09	-42.61
O=C(NCC1=NC(=O)O[N-]1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025554042	0	38	-1.0	-38.81	321.28	2.14	-36.67
CC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025554043	0	34	-1.0	-37.54	307.43	0.24	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025554044	0	44	0.0	-50.25	346.00	1.43	-48.82
O=C(NCC1=NC(=O)O[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025554044	1	44	0.0	-51.24	349.52	1.79	-49.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300025554045	0	34	-1.0	-44.95	320.88	3.24	-41.71
O=C(CCCC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025554046	0	33	-1.0	-37.66	309.94	3.93	-33.73
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554047	0	33	-1.0	-43.44	312.78	-5.74	-49.18
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025554048	0	46	-1.0	-35.44	357.60	0.89	-34.55
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025554049	0	44	-1.0	-42.82	370.97	4.15	-38.67
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554050	0	46	-1.0	-36.03	365.19	1.20	-34.83
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554051	0	48	-1.0	-41.70	382.42	4.75	-36.95
CC(C)(C)OC(=O)N1CCCC(OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554052	0	48	-1.0	-41.83	385.27	2.40	-39.43
O=C(CSC1=NC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025554053	0	33	-1.0	-39.87	305.67	2.83	-37.04
CC1=CC=C(C2=NC(SCC(=O)NCC3=NC(=O)O[N-]3)=NN2)C=C1	REAL300025554054	0	37	-1.0	-41.13	343.73	2.91	-38.22
CC1=CC=C(C2=NNC(SCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025554054	1	37	-1.0	-38.65	344.49	3.03	-35.62
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554055	0	37	-2.0	-87.78	343.13	-0.85	-88.63
CC(C)C1=NN=C(NC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554055	1	38	-1.0	-47.03	346.43	0.28	-46.75
O=C(CSC1=NC2=CC=CC=C2N=C1N1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025554056	0	44	-1.0	-40.58	376.31	2.48	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1	REAL300025554057	0	34	-1.0	-41.36	347.64	3.00	-38.36
CC(C)(C)OC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025554058	0	42	-1.0	-37.45	345.21	2.72	-34.73
CC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300025554059	0	46	-1.0	-37.20	372.46	5.25	-31.95
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554060	0	43	-1.0	-37.45	351.21	4.60	-32.85
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025554061	0	24	-1.0	-36.34	251.95	1.48	-34.86
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025554062	0	28	-1.0	-33.33	288.78	3.03	-30.30
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025554063	0	34	-1.0	-44.84	315.93	0.96	-43.88
CC1=C(I)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554064	0	27	-1.0	-35.02	260.89	2.70	-32.32
O=C(CCC1=NN=C(C2CCCC2)O1)NCC1=NC(=O)O[N-]1	REAL300025554065	0	38	-1.0	-39.31	324.63	-1.90	-41.21
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025554066	0	37	-1.0	-40.12	334.55	3.35	-36.77
O=C(CCCC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554067	0	33	-1.0	-38.24	304.84	3.75	-34.49
CC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554068	0	43	-1.0	-38.94	348.52	0.02	-38.92
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300025554069	0	53	-1.0	-40.34	403.08	3.78	-36.56
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554070	0	36	-1.0	-43.55	336.96	-1.60	-45.15
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554071	0	39	-1.0	-37.99	351.61	5.04	-32.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1I	REAL300025554072	0	24	-1.0	-33.37	255.54	2.24	-31.13
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=C1	REAL300025554073	0	28	-1.0	-36.18	272.26	1.43	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Br	REAL300025554074	0	24	-1.0	-34.45	254.11	2.18	-32.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1Cl	REAL300025554075	0	24	-1.0	-36.07	261.43	2.66	-33.41
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554076	0	43	-1.0	-39.49	345.56	0.06	-39.43
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025554077	0	47	-1.0	-40.11	371.16	1.13	-38.98
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300025554078	0	29	-1.0	-38.46	274.07	2.24	-36.22
CS(=O)(=O)N1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554079	0	37	-1.0	-43.95	316.24	-4.38	-48.33
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCC1=NC(=O)O[N-]1	REAL300025554080	0	36	-1.0	-43.13	320.26	4.55	-38.58
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554081	0	39	-1.0	-40.01	330.78	3.76	-36.25
CC1CCCC(OCCCCCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554082	0	49	-1.0	-37.15	386.43	4.53	-32.62
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554083	0	41	-1.0	-38.94	349.09	-3.65	-42.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCOCC1	REAL300025554084	0	38	-1.0	-40.64	316.68	0.33	-40.31
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554085	0	41	-1.0	-42.70	345.87	-0.63	-43.33
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554086	0	34	-1.0	-47.75	313.31	3.58	-44.17
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1I	REAL300025554087	0	27	-1.0	-41.31	274.84	-0.36	-41.67
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554088	0	35	-1.0	-38.65	312.36	3.53	-35.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025554089	0	34	-1.0	-44.35	337.78	2.79	-41.56
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554090	0	50	-1.0	-40.88	390.62	3.38	-37.50
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025554091	0	46	-1.0	-41.41	376.49	5.51	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCCO	REAL300025554092	0	34	-1.0	-41.55	317.88	0.25	-41.30
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300025554093	0	28	-1.0	-35.36	287.32	0.79	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025554094	0	24	-2.0	-90.29	246.81	1.24	-89.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1O	REAL300025554094	1	25	-1.0	-37.32	250.38	0.24	-37.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300025554095	0	39	-1.0	-42.37	341.19	2.85	-39.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300025554096	0	36	-1.0	-40.49	318.65	2.44	-38.05
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025554097	0	43	-1.0	-43.84	356.37	-0.83	-44.67
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025554097	1	42	-2.0	-109.03	352.81	0.18	-108.85
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025554098	0	42	-1.0	-40.90	351.92	-0.17	-41.07
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025554098	1	41	-2.0	-103.33	348.35	0.84	-102.49
O=C(NC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025554099	0	36	-1.0	-39.49	338.33	-0.81	-40.30
O=C(NC1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025554099	1	35	-2.0	-92.74	334.77	0.19	-92.55
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025554100	0	29	-1.0	-42.66	279.80	-3.92	-46.58
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CN=C2)S1	REAL300025554101	0	29	-1.0	-38.02	282.91	0.17	-37.85
O=C(COC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554102	0	28	-1.0	-40.01	275.08	2.26	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300025554103	0	33	-1.0	-44.66	305.30	3.46	-41.20
CCOC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025554104	0	36	-1.0	-39.16	317.71	0.32	-38.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Br	REAL300025554105	0	24	-1.0	-34.30	258.68	2.29	-32.01
CC(C)CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025554106	0	40	-1.0	-39.07	331.61	3.12	-35.95
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300025554107	0	29	-1.0	-46.19	287.59	-0.01	-46.20
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025554108	0	30	-1.0	-34.42	276.64	2.92	-31.50
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300025554109	0	33	-1.0	-60.40	306.48	3.29	-57.11
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554110	0	48	-1.0	-40.91	381.59	3.22	-37.69
CS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554111	0	34	-1.0	-45.97	315.33	-0.85	-46.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1I	REAL300025554112	0	23	-1.0	-34.28	252.85	0.70	-33.58
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2SCC(=O)NC2=C1	REAL300025554113	0	29	-1.0	-37.78	276.23	-1.86	-39.64
CCCCCCCCCCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554114	0	53	-1.0	-35.53	410.38	6.71	-28.82
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554115	0	44	-1.0	-39.17	364.66	2.23	-36.94
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN2C(Br)=CN=C12	REAL300025554116	0	26	-1.0	-42.65	266.64	0.54	-42.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300025554117	0	42	-1.0	-37.85	358.68	4.34	-33.51
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554118	0	37	-1.0	-37.40	321.78	3.89	-33.51
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=N1	REAL300025554119	0	31	-1.0	-40.00	291.18	1.53	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300025554120	0	31	-1.0	-35.35	293.84	1.98	-33.37
CC(CC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554121	0	33	-1.0	-35.25	303.81	3.63	-31.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC(F)(F)F	REAL300025554122	0	33	-1.0	-37.27	295.05	3.62	-33.65
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554123	0	36	-1.0	-46.25	315.80	-0.06	-46.31
CC1=CC(S(C)(=O)=O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025554124	0	36	-1.0	-46.13	315.30	-0.20	-46.33
CC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025554125	0	30	-1.0	-36.40	295.05	2.71	-33.69
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554126	0	50	-1.0	-37.58	399.75	-1.33	-38.91
COCCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025554127	0	40	-1.0	-42.54	348.88	1.06	-41.48
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025554128	0	34	-1.0	-36.85	316.76	4.24	-32.61
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1	REAL300025554129	0	33	-1.0	-39.46	315.97	2.83	-36.63
O=C(CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025554130	0	48	-1.0	-41.85	408.49	5.37	-36.48
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025554131	0	41	-1.0	-35.69	339.00	2.13	-33.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Br)=C1	REAL300025554132	0	24	-1.0	-34.89	257.21	2.13	-32.76
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC(Br)=CN2N=C1	REAL300025554133	0	26	-1.0	-41.97	266.74	0.56	-41.41
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025554134	0	27	-1.0	-43.44	275.21	-2.46	-45.90
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025554135	0	29	-1.0	-34.18	283.10	2.75	-31.43
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025554136	0	36	-1.0	-37.29	342.06	5.07	-32.22
CCOC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554137	0	34	-1.0	-40.07	304.45	2.14	-37.93
CC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025554138	0	39	-1.0	-39.17	323.25	1.68	-37.49
CC1=CN(CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)N=C1	REAL300025554139	0	33	-1.0	-44.25	306.02	0.82	-43.43
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025554140	0	29	-1.0	-41.72	283.53	-4.75	-46.47
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025554140	1	28	-2.0	-81.66	280.51	-5.20	-86.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300025554141	0	33	-1.0	-46.99	297.91	2.91	-44.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NNC=N2)C=C1	REAL300025554141	1	33	-1.0	-42.83	298.53	2.51	-40.32
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1	REAL300025554142	0	35	-1.0	-37.36	323.03	2.55	-34.81
O=C(CCC(=O)NC1=CC=C2NC(=O)NC2=N1)NCC1=NC(=O)O[N-]1	REAL300025554143	0	37	-1.0	-50.53	332.68	-1.70	-52.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300025554144	0	36	-1.0	-42.63	317.93	4.96	-37.67
NS(=O)(=O)C1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CC=C12	REAL300025554145	0	34	-1.0	-43.89	308.75	-3.44	-47.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300025554146	0	36	-2.0	-90.47	350.44	-1.46	-91.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-]	REAL300025554146	1	35	-3.0	-179.40	346.88	-0.46	-179.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1O	REAL300025554147	0	25	-1.0	-37.85	257.74	0.69	-37.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1[O-]	REAL300025554147	1	24	-2.0	-89.67	254.17	1.70	-87.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1O	REAL300025554148	0	25	-1.0	-36.18	251.25	0.21	-35.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025554148	1	24	-2.0	-89.83	247.68	1.22	-88.61
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025554149	0	30	-2.0	-93.79	285.59	3.35	-90.44
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300025554149	1	31	-1.0	-39.34	289.15	2.35	-36.99
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025554150	0	26	-1.0	-37.42	254.15	0.40	-37.02
COC(=O)C1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554151	0	36	-1.0	-41.62	313.33	2.94	-38.68
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554152	0	46	-1.0	-35.93	358.40	1.13	-34.80
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025554153	0	27	-1.0	-37.24	258.79	2.34	-34.90
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=NO1	REAL300025554154	0	38	-1.0	-40.86	338.69	-0.14	-41.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1O	REAL300025554155	0	39	-1.0	-42.66	354.42	1.76	-40.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-]	REAL300025554155	1	38	-2.0	-104.80	350.86	2.76	-102.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300025554156	0	41	-1.0	-41.04	354.25	4.83	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300025554157	0	38	-1.0	-41.52	332.75	4.05	-37.47
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCC(O)CC1	REAL300025554158	0	43	-1.0	-36.86	338.86	-1.24	-38.10
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300025554158	1	44	0.0	-47.35	349.42	1.41	-45.94
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300025554159	0	31	-1.0	-42.63	299.23	2.72	-39.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1	REAL300025554160	0	41	-1.0	-42.80	360.36	4.70	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1	REAL300025554161	0	39	-1.0	-38.47	332.22	4.04	-34.43
CCOC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2N=C1	REAL300025554162	0	35	-1.0	-45.57	319.74	1.92	-43.65
NC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2N=C1	REAL300025554163	0	30	-1.0	-47.14	278.26	-2.94	-50.08
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025554164	0	30	-1.0	-40.53	294.52	-0.90	-41.43
CC(C)CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025554165	0	36	-1.0	-38.09	303.68	1.40	-36.69
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025554166	0	42	-1.0	-38.18	353.28	5.71	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300025554167	0	24	-2.0	-76.59	269.32	0.33	-76.26
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554168	0	29	-1.0	-42.58	295.99	-3.43	-46.01
CC1=CC=C(CC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025554169	0	36	-1.0	-42.62	333.12	3.20	-39.42
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025554170	0	30	-1.0	-35.77	282.98	2.89	-32.88
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025554171	0	40	-1.0	-43.52	338.77	3.73	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300025554172	0	30	-1.0	-36.23	288.44	3.92	-32.31
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1	REAL300025554173	0	34	-1.0	-42.54	344.40	2.81	-39.73
O=C(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)NC1CCCC1	REAL300025554174	0	41	-1.0	-49.73	351.25	0.34	-49.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300025554175	0	35	-1.0	-38.69	315.77	1.89	-36.80
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554176	0	46	-1.0	-35.49	366.34	0.83	-34.66
CNC(=O)COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554177	0	38	-1.0	-48.90	335.77	0.58	-48.32
CS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554178	0	30	-1.0	-47.20	286.33	-1.34	-48.54
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=N1	REAL300025554179	0	37	-1.0	-40.22	319.76	2.73	-37.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1C1=CC=CC=N1	REAL300025554180	0	36	-1.0	-41.68	302.52	4.16	-37.52
COC1=CC=C2NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025554181	0	35	-1.0	-45.67	307.87	0.84	-44.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL300025554182	0	29	-1.0	-42.34	279.14	1.96	-40.38
CCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025554183	0	47	-1.0	-39.97	391.20	4.37	-35.60
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554184	0	45	-1.0	-40.05	361.34	2.81	-37.24
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300025554185	0	44	-1.0	-40.78	360.57	2.16	-38.62
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025554186	0	44	-1.0	-41.65	350.64	1.21	-40.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=C(F)C=C1F	REAL300025554187	0	24	-1.0	-34.59	258.95	2.26	-32.33
O=C(CC1=CC(Br)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025554188	0	27	-1.0	-37.21	272.50	2.38	-34.83
O=C(CC1=CC(Cl)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554189	0	27	-1.0	-36.25	280.69	2.74	-33.51
O=C(CC1=CC=CC=C1I)NCC1=NC(=O)O[N-]1	REAL300025554190	0	27	-1.0	-37.26	269.03	2.63	-34.63
O=C(CC1=CC(F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554191	0	27	-1.0	-36.51	270.36	2.30	-34.21
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025554192	0	43	-1.0	-44.34	366.02	1.65	-42.69
O=C(CSC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025554193	0	28	-1.0	-36.59	285.57	2.80	-33.79
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025554194	0	47	-1.0	-41.38	390.34	3.13	-38.25
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025554195	0	47	-1.0	-41.28	371.63	2.25	-39.03
COC(=O)[C@H](CCC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025554196	0	47	-1.0	-43.16	414.30	2.62	-40.54
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554197	0	46	-1.0	-39.46	361.50	0.53	-38.93
CN(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025554198	0	36	-1.0	-43.64	321.30	1.32	-42.32
COCCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554199	0	38	-1.0	-41.22	330.74	1.23	-39.99
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554200	0	44	-1.0	-45.86	374.19	4.07	-41.79
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025554201	0	44	-1.0	-37.54	369.03	2.08	-35.46
CC1=CC=C(C(O)(CC(=O)NCC2=NC(=O)O[N-]2)C(F)(F)F)O1	REAL300025554202	0	34	-1.0	-35.92	311.09	0.26	-35.66
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025554203	0	29	-1.0	-39.15	291.68	-3.31	-42.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300025554204	0	27	-1.0	-34.01	272.95	2.46	-31.55
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554205	0	45	-1.0	-36.75	352.59	4.96	-31.79
CC(C)COC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554206	0	41	-1.0	-40.37	347.62	3.34	-37.03
O=C(CCCNC(=O)C1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025554207	0	36	-1.0	-42.06	318.71	-0.79	-42.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300025554208	0	29	-1.0	-36.03	288.36	2.74	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1	REAL300025554209	0	24	-1.0	-33.88	259.15	2.17	-31.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1	REAL300025554210	0	36	-1.0	-37.20	330.68	4.57	-32.63
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554211	0	41	-1.0	-38.30	338.74	1.83	-36.47
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554212	0	44	-1.0	-43.49	351.07	2.41	-41.08
CC1(C)CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025554213	0	40	-1.0	-49.77	321.89	1.57	-48.20
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025554214	0	31	-1.0	-37.16	291.75	1.52	-35.64
O=C(NCC1=NC(=O)O[N-]1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300025554215	0	42	-1.0	-38.47	344.41	2.16	-36.31
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1CCCS1(=O)=O	REAL300025554216	0	38	-1.0	-46.75	317.78	-0.84	-47.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025554217	0	38	-1.0	-35.89	319.84	1.41	-34.48
CC(CSCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554218	0	37	-1.0	-35.94	329.27	4.48	-31.46
CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554219	0	38	-1.0	-36.74	340.10	5.71	-31.03
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025554220	0	46	-1.0	-35.41	357.17	1.06	-34.35
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554221	0	41	-1.0	-41.13	341.63	-3.22	-44.35
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300025554222	0	40	-1.0	-39.55	338.45	4.29	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1	REAL300025554223	0	41	-1.0	-46.20	371.23	4.49	-41.71
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554224	0	40	-1.0	-40.64	349.79	3.32	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL300025554225	0	30	-1.0	-37.22	296.83	1.19	-36.03
COC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025554226	0	40	-1.0	-39.76	336.41	2.77	-36.99
CC(C)(C)OC(=O)N1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554227	0	42	-1.0	-41.80	342.94	0.75	-41.05
O=C(CSC1=NN=C(C2=CC=CO2)N1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025554228	0	41	-1.0	-44.67	384.25	5.71	-38.96
CC(C)CC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554229	0	40	-1.0	-36.93	336.83	4.92	-32.01
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1	REAL300025554230	0	42	-1.0	-42.20	375.78	2.83	-39.37
O=C(CC1=CC=C(Br)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025554231	0	27	-1.0	-37.29	272.76	2.40	-34.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1I	REAL300025554232	0	24	-1.0	-36.23	248.40	2.16	-34.07
CC1=NN=C(C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025554233	0	32	-1.0	-47.50	289.15	-1.96	-49.46
CC(C)(C)OC(=O)N1CCOC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554234	0	45	-1.0	-41.52	362.82	1.27	-40.25
O=C(CCCOC1=CC=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554235	0	37	-1.0	-41.39	323.18	0.77	-40.62
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554236	0	49	-1.0	-38.43	393.37	5.20	-33.23
O=C(CCCOC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554237	0	41	-1.0	-39.43	342.65	4.03	-35.40
COC1=CC=CC(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025554238	0	35	-1.0	-38.77	312.10	0.38	-38.39
CC(C)CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554239	0	42	-1.0	-35.96	348.35	5.22	-30.74
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025554240	0	35	-1.0	-38.72	331.29	3.51	-35.21
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025554241	0	43	-1.0	-38.32	350.55	6.05	-32.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C2N1	REAL300025554242	0	31	-1.0	-42.03	295.12	2.07	-39.96
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554243	0	33	-1.0	-41.92	307.22	-3.79	-45.71
O=C(C=CC(=O)NC1=CC2=CNN=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025554244	0	35	-1.0	-47.23	319.08	-0.66	-47.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C(F)(F)F)=C1	REAL300025554245	0	26	-1.0	-32.93	272.90	0.74	-32.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CCC(F)(F)F)C=C1	REAL300025554246	0	33	-1.0	-37.92	303.64	3.65	-34.27
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025554247	0	41	-1.0	-41.37	334.08	2.14	-39.23
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC)C=C1	REAL300025554248	0	40	-1.0	-36.91	329.77	2.92	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1	REAL300025554249	0	30	-1.0	-36.00	317.86	3.23	-32.77
C=C(C)CN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CO1	REAL300025554250	0	41	-1.0	-42.41	373.74	4.31	-38.10
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1Cl	REAL300025554251	0	34	-1.0	-37.58	308.83	3.29	-34.29
O=C(COC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554252	0	38	-1.0	-38.88	317.40	4.11	-34.77
O=C(CCCOC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554253	0	44	-1.0	-39.13	359.85	4.62	-34.51
CC1=CC(S(N)(=O)=O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025554254	0	35	-1.0	-44.40	308.26	-2.78	-47.18
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025554255	0	35	-1.0	-37.27	312.02	0.38	-36.89
O=C(CC1=CNC2=CC(Br)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025554256	0	31	-1.0	-39.70	298.93	2.39	-37.31
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(CN2C=C(Br)C=N2)=C1	REAL300025554257	0	30	-1.0	-43.94	305.83	0.76	-43.18
O=C(CC1=CSC2=CC=C(Cl)C=C12)NCC1=NC(=O)O[N-]1	REAL300025554258	0	30	-1.0	-38.05	298.87	3.60	-34.45
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554259	0	47	-1.0	-38.49	362.11	2.36	-36.13
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554260	0	47	-1.0	-45.35	363.20	2.67	-42.68
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554261	0	40	-1.0	-42.94	359.74	1.01	-41.93
CC(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1CCOCC1	REAL300025554262	0	37	-1.0	-48.96	315.89	-2.54	-51.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1Br	REAL300025554263	0	24	-1.0	-33.88	250.06	1.79	-32.09
CC1=CC=C(C(C)C)C(OCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554264	0	43	-1.0	-37.08	355.64	4.05	-33.03
CC(C)C1=CC=CC=C1OCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554265	0	40	-1.0	-36.89	334.23	3.38	-33.51
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=NC=C2)=N1	REAL300025554266	0	29	-1.0	-41.74	283.69	0.10	-41.64
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554267	0	49	-1.0	-39.50	377.43	0.99	-38.51
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554268	0	36	-1.0	-50.33	322.79	1.28	-49.05
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300025554269	0	33	-1.0	-39.82	322.09	3.63	-36.19
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025554270	0	39	-1.0	-42.25	336.35	-0.82	-43.07
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC1CCCC1	REAL300025554271	0	42	-1.0	-37.97	345.30	3.17	-34.80
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)NCC1=NC(=O)O[N-]1	REAL300025554272	0	33	-1.0	-40.16	315.25	2.53	-37.63
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025554273	0	30	-1.0	-41.08	304.61	3.23	-37.85
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300025554274	0	40	-1.0	-39.34	349.36	0.60	-38.74
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554275	0	33	-1.0	-38.12	297.94	2.55	-35.57
O=C(NCC1=NC(=O)O[N-]1)C(C1=C(F)C=CC=C1Cl)N1CCCCC1	REAL300025554276	0	42	-1.0	-37.43	352.71	4.51	-32.92
O=C(NCC1=NC(=O)O[N-]1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300025554277	0	41	-1.0	-40.67	340.26	4.40	-36.27
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025554278	0	40	-1.0	-40.17	340.47	4.10	-36.07
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300025554279	0	34	-1.0	-34.38	317.82	0.83	-33.55
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300025554280	0	33	-1.0	-46.33	318.13	2.60	-43.73
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300025554281	0	35	-1.0	-49.90	322.04	3.00	-46.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300025554282	0	27	-1.0	-38.09	272.45	0.16	-37.93
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025554283	0	34	-1.0	-42.21	304.80	3.20	-39.01
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554284	0	36	-1.0	-41.52	327.96	4.37	-37.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1OC(F)F	REAL300025554285	0	28	-1.0	-37.28	279.48	2.51	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL300025554286	0	34	-1.0	-39.72	303.02	-0.28	-40.00
CCC1=NC2=CC=CC=C2N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554287	0	36	-1.0	-42.14	311.99	3.12	-39.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)S1	REAL300025554288	0	28	-1.0	-37.37	284.46	2.92	-34.45
O=C(CCC1=CC(F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025554289	0	30	-1.0	-36.07	290.78	3.08	-32.99
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300025554290	0	46	0.0	-51.66	355.04	5.12	-46.54
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025554291	0	43	-1.0	-39.56	350.16	3.70	-35.86
CC(C)COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025554292	0	36	-1.0	-34.33	327.75	0.75	-33.58
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1SC1=CC=CC=C1	REAL300025554293	0	33	-1.0	-42.13	311.48	1.80	-40.33
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300025554294	0	36	-1.0	-38.71	337.99	1.31	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025554295	0	31	-2.0	-74.41	311.20	-1.56	-75.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300025554296	0	28	-1.0	-35.77	306.12	3.65	-32.12
CC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC=C1F	REAL300025554297	0	38	-1.0	-38.99	326.67	2.68	-36.31
CC1=CC(Br)=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554298	0	27	-1.0	-36.06	281.41	2.46	-33.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300025554299	0	32	-1.0	-40.46	299.57	0.21	-40.25
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025554300	0	38	-1.0	-45.06	352.26	-0.89	-45.95
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554301	0	37	-1.0	-45.07	332.21	-4.47	-49.54
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554302	0	30	-1.0	-43.28	290.88	0.24	-43.04
CN(C)C1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)N(C)C2=NC=N1	REAL300025554303	0	37	-1.0	-36.68	313.26	1.86	-34.82
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300025554304	0	34	-1.0	-37.08	299.52	3.43	-33.65
CC(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300025554305	0	35	-1.0	-36.86	319.55	3.37	-33.49
O=C(CCCC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025554306	0	39	-1.0	-39.31	334.76	5.57	-33.74
O=C(NCC1=NC(=O)O[N-]1)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1	REAL300025554307	0	44	-1.0	-45.61	360.97	3.04	-42.57
CC(C)(C)OCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554308	0	40	-1.0	-36.97	325.16	3.10	-33.87
CC1=C(C)N2C(=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025554309	0	32	-1.0	-48.74	290.00	1.63	-47.11
COC1=CC=C(SC)C(OC)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554310	0	36	-1.0	-44.25	325.64	0.91	-43.34
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300025554311	0	34	-1.0	-42.00	319.52	3.17	-38.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300025554312	0	33	-1.0	-36.45	317.68	2.70	-33.75
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554313	0	39	-1.0	-41.58	349.46	5.15	-36.43
O=C(NCC1=NC(=O)O[N-]1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025554314	0	42	-1.0	-40.46	368.60	3.07	-37.39
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025554315	0	31	-1.0	-37.77	307.50	1.26	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300025554316	0	30	-1.0	-41.04	286.37	2.55	-38.49
CC(C)(C)SC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025554317	0	36	-1.0	-35.69	312.29	3.38	-32.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300025554318	0	27	-1.0	-34.40	272.35	2.56	-31.84
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300025554319	0	30	-1.0	-37.94	307.10	0.18	-37.76
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554320	0	39	-1.0	-40.67	336.21	2.11	-38.56
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025554321	0	47	-1.0	-44.26	364.18	3.71	-40.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300025554322	0	35	-1.0	-36.97	326.55	4.41	-32.56
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300025554323	0	30	-1.0	-44.07	293.68	0.65	-43.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=NC(C)=NC(N)=C12	REAL300025554324	0	33	-1.0	-40.12	295.75	0.02	-40.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300025554325	0	28	-1.0	-38.52	264.95	2.10	-36.42
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554326	0	36	-1.0	-43.82	324.11	-1.60	-45.42
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554327	0	41	-1.0	-54.63	360.51	2.70	-51.93
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300025554328	0	35	-1.0	-43.87	320.85	2.50	-41.37
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300025554329	0	29	-1.0	-35.22	283.58	2.49	-32.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300025554330	0	39	-1.0	-38.38	324.93	1.22	-37.16
COC1=CC(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025554331	0	44	-1.0	-40.87	379.12	1.51	-39.36
COCC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025554332	0	36	-1.0	-43.67	327.68	-3.24	-46.91
CC1=CSC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N12	REAL300025554333	0	29	-1.0	-49.74	271.20	0.94	-48.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300025554334	0	31	-1.0	-43.90	316.53	3.44	-40.46
CC(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025554335	0	36	-1.0	-37.04	318.02	4.23	-32.81
CC1=CC=C(S(=O)(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)O)C=C1	REAL300025554336	0	42	-1.0	-40.99	369.29	-3.17	-44.16
O=C(NCC1=NC(=O)O[N-]1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300025554337	0	34	-1.0	-41.18	316.15	-2.88	-44.06
CC(O)C(NC(=O)C1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554338	0	41	-1.0	-38.77	336.83	-2.41	-41.18
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025554339	0	33	-1.0	-41.55	307.07	2.58	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Br)=C1	REAL300025554340	0	24	-1.0	-33.79	263.71	2.28	-31.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1O	REAL300025554341	0	28	-1.0	-36.03	268.65	0.59	-35.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300025554341	1	27	-2.0	-87.97	265.09	1.60	-86.37
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)=C1	REAL300025554342	0	40	-1.0	-40.85	345.00	4.70	-36.15
O=C(CC(O)(C1=NC2=CC=CC=C2S1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025554343	0	36	-1.0	-38.30	336.81	0.85	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=CS1	REAL300025554344	0	20	-1.0	-36.78	226.21	-1.29	-38.07
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554345	0	40	-1.0	-49.51	348.86	0.67	-48.84
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300025554346	0	34	-1.0	-39.71	334.69	3.62	-36.09
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025554347	0	34	-1.0	-42.23	309.19	2.71	-39.52
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(C)C=C1	REAL300025554348	0	37	-1.0	-43.83	324.18	3.33	-40.50
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300025554349	0	34	-1.0	-41.15	317.98	3.14	-38.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300025554350	0	40	-1.0	-44.13	344.04	3.95	-40.18
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554351	0	41	-1.0	-39.29	351.15	5.04	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL300025554352	0	40	-1.0	-36.16	332.13	1.56	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300025554353	0	35	-1.0	-36.48	338.29	5.65	-30.83
CC(C)N1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300025554354	0	44	-1.0	-43.23	373.80	4.08	-39.15
CC1=CC=C(SC2CCCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554355	0	41	-1.0	-39.34	339.97	5.39	-33.95
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554356	0	44	-1.0	-39.88	367.56	1.98	-37.90
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554357	0	39	-1.0	-36.42	330.76	3.77	-32.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1C(F)(F)F	REAL300025554358	0	27	-1.0	-35.62	272.57	2.71	-32.91
COC1=CC=CC(C2C(C(=O)NCC3=NC(=O)O[N-]3)CC(=O)N2C2CC2)=C1	REAL300025554359	0	46	-1.0	-42.59	373.97	2.95	-39.64
CC1=CN2C(=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025554360	0	29	-1.0	-49.16	276.64	1.15	-48.01
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554361	0	36	-1.0	-45.37	327.91	5.42	-39.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC(F)F)=CC=N1	REAL300025554362	0	30	-1.0	-45.66	282.94	-0.11	-45.77
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300025554363	0	33	-1.0	-38.31	304.97	-0.41	-38.72
COC1=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025554364	0	35	-1.0	-43.01	305.80	1.11	-41.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CCCCC2)=N1	REAL300025554365	0	39	-1.0	-35.57	331.13	2.78	-32.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL300025554366	0	29	-1.0	-39.50	274.59	0.73	-38.77
CC1=CC(Br)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554367	0	30	-1.0	-36.37	283.80	2.83	-33.54
COC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C)C=C1	REAL300025554368	0	38	-1.0	-43.32	332.25	1.95	-41.37
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300025554369	0	34	-1.0	-38.40	315.29	4.22	-34.18
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1OC	REAL300025554370	0	45	-1.0	-42.25	359.31	3.53	-38.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300025554371	0	35	-1.0	-40.06	337.22	3.54	-36.52
CC1=CC(F)=C2NC(=O)C=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025554372	0	33	-1.0	-38.07	294.74	0.88	-37.19
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025554373	0	40	-1.0	-41.55	351.86	3.22	-38.33
COCCC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025554374	0	39	-1.0	-41.74	349.18	-2.47	-44.21
CC(=O)C1=CC=CC(OCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)=C1	REAL300025554375	0	39	-1.0	-49.09	354.41	2.23	-46.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1=CC=C(Cl)C=C1	REAL300025554376	0	35	-1.0	-37.01	348.96	6.14	-30.87
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554377	0	36	-1.0	-41.45	322.78	4.11	-37.34
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554378	0	51	-1.0	-46.98	406.52	3.10	-43.88
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554379	0	41	-1.0	-40.22	344.33	5.53	-34.69
CCC1=C2NC3=C(CCOC3(CC)CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025554380	0	51	-1.0	-38.76	398.39	5.58	-33.18
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300025554381	0	38	-1.0	-38.30	346.09	2.98	-35.32
CC1=CC=CC(C2=NOC(SCC(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554382	0	36	-1.0	-39.41	339.85	1.49	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1F	REAL300025554383	0	23	-1.0	-35.00	242.41	-0.13	-35.13
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300025554384	0	37	-1.0	-34.36	307.16	4.28	-30.08
CC1=NC(COC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025554385	0	36	-1.0	-43.96	323.95	-0.16	-44.12
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025554386	0	36	-1.0	-45.31	311.38	0.01	-45.30
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(F)C=C1	REAL300025554387	0	38	-1.0	-37.51	329.28	2.48	-35.03
COC1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554388	0	25	-1.0	-35.06	264.99	0.09	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C21	REAL300025554389	0	29	-1.0	-37.57	280.81	1.35	-36.22
CN(C)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025554390	0	32	-1.0	-41.18	303.24	-2.97	-44.15
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025554391	0	27	-1.0	-41.09	264.21	1.84	-39.25
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025554391	1	26	-2.0	-111.75	262.88	0.03	-111.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(I)=C1	REAL300025554392	0	23	-1.0	-34.56	243.93	0.35	-34.21
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025554393	0	45	-1.0	-42.29	356.55	1.34	-40.95
COC1=CC=C(COCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554394	0	41	-1.0	-40.40	352.18	1.90	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CN=C21	REAL300025554395	0	29	-1.0	-43.87	281.47	2.47	-41.40
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025554396	0	42	-1.0	-38.66	358.31	5.50	-33.16
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554397	0	33	-1.0	-41.88	306.46	3.57	-38.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12	REAL300025554398	0	31	-1.0	-39.82	285.26	2.42	-37.40
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)NCC1=NC(=O)O[N-]1	REAL300025554399	0	33	-1.0	-45.73	305.76	2.45	-43.28
CC(C)NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554400	0	37	-1.0	-39.10	319.65	1.00	-38.10
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025554401	0	47	-1.0	-42.16	377.67	2.59	-39.57
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025554402	0	34	-1.0	-46.57	317.91	3.33	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300025554403	0	30	-1.0	-48.15	299.00	1.34	-46.81
COC1=CC2=C(CC(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL300025554404	0	37	-1.0	-42.38	317.76	3.15	-39.23
CC(C)(C)OC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025554405	0	40	-1.0	-37.54	329.86	3.76	-33.78
O=C(NCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)SC2=C1CCC2	REAL300025554406	0	36	-1.0	-41.98	319.54	4.81	-37.17
O=C(CN1C=NC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025554407	0	33	-1.0	-46.79	301.85	3.47	-43.32
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554408	0	40	-1.0	-41.40	344.67	3.40	-38.00
CC(SC1=NC2=CC=CC=C2S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554409	0	33	-1.0	-38.21	316.26	2.78	-35.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(I)=CC=C2N1	REAL300025554410	0	28	-1.0	-34.61	282.62	2.09	-32.52
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554411	0	47	-1.0	-43.86	372.17	2.46	-41.40
CC1=CC(F)=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025554412	0	33	-1.0	-41.18	300.45	1.54	-39.64
COC1=CC=CC(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)N2)=C1	REAL300025554413	0	38	-1.0	-38.21	330.38	1.40	-36.81
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554414	0	37	-1.0	-45.76	339.33	-3.18	-48.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300025554415	0	31	-1.0	-42.15	302.26	3.94	-38.21
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025554416	0	37	-1.0	-36.49	339.94	3.11	-33.38
CN(C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025554417	0	41	-1.0	-40.07	342.70	4.09	-35.98
O=C(CC1=CNC2=CC=CC(Br)=C12)NCC1=NC(=O)O[N-]1	REAL300025554418	0	31	-1.0	-42.23	293.62	2.22	-40.01
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300025554419	0	33	-1.0	-42.97	310.52	1.71	-41.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2CC2)C=C1	REAL300025554420	0	35	-1.0	-38.86	309.14	1.06	-37.80
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554421	0	47	-1.0	-36.51	388.24	3.40	-33.11
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300025554422	0	39	-1.0	-41.56	324.13	0.66	-40.90
N#CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025554423	0	25	-1.0	-36.90	277.18	2.12	-34.78
O=C(NCC1=NC(=O)O[N-]1)C12CCC(CC1Br)C2	REAL300025554424	0	31	-1.0	-37.84	267.93	2.09	-35.75
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025554425	0	27	-1.0	-34.86	260.56	2.23	-32.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300025554426	0	34	-1.0	-40.96	314.09	4.80	-36.16
CCS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554427	0	39	-1.0	-43.97	349.31	0.96	-43.01
CC(C)CC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554428	0	42	-1.0	-36.77	342.88	4.96	-31.81
CCOC(=O)C1=CN=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554429	0	35	-1.0	-38.79	309.23	1.51	-37.28
O=C(COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025554430	0	34	-1.0	-37.01	332.46	3.64	-33.37
O=C(CC1=CC=C(S(=O)(=O)N2CCOCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025554431	0	40	-1.0	-43.40	366.52	-1.53	-44.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1N1C=NC=N1	REAL300025554432	0	30	-1.0	-39.55	295.57	4.71	-34.84
N#CC1=CC=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025554433	0	36	-1.0	-41.78	346.96	4.82	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1	REAL300025554434	0	40	-1.0	-41.10	346.73	5.38	-35.72
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025554435	0	40	-1.0	-38.80	350.13	4.31	-34.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL300025554436	0	30	-1.0	-39.04	285.39	-0.84	-39.88
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL300025554437	0	36	-1.0	-37.66	300.27	-1.95	-39.61
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025554438	0	27	-1.0	-37.84	255.58	2.24	-35.60
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554439	0	40	-1.0	-36.63	334.54	-0.47	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1	REAL300025554440	0	37	-1.0	-41.02	343.05	4.13	-36.89
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554441	0	39	-1.0	-42.62	361.92	4.41	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300025554442	0	38	-1.0	-39.88	332.84	3.07	-36.81
CC(C)CC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554443	0	45	-1.0	-37.22	369.80	6.00	-31.22
COC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025554444	0	41	-1.0	-40.42	346.44	1.97	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC([N+](=O)[O-])=C1	REAL300025554445	0	26	-1.0	-33.66	277.10	2.81	-30.85
CC1=NN(C2=CC=CC=N2)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025554446	0	45	-1.0	-42.76	384.92	5.39	-37.37
CCS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554447	0	33	-1.0	-43.86	303.26	-0.53	-44.39
CC1=CC=C(S(N)(=O)=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554448	0	32	-1.0	-41.38	285.16	-1.96	-43.34
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1	REAL300025554449	0	35	-1.0	-37.47	298.85	0.05	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300025554450	0	27	-1.0	-33.67	281.46	2.67	-31.00
COC1=CC=C2C(=C1)OCC2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554451	0	36	-1.0	-38.35	307.99	0.81	-37.54
CCC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025554452	0	40	-1.0	-39.39	331.62	2.84	-36.55
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554453	0	37	-1.0	-40.93	340.13	2.65	-38.28
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554454	0	34	-1.0	-36.25	321.48	3.44	-32.81
CCC1=CSC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025554455	0	33	-1.0	-42.39	312.42	1.76	-40.63
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300025554456	0	30	-1.0	-52.29	276.48	2.79	-49.50
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554457	0	50	-1.0	-37.24	374.98	2.43	-34.81
CC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)N1C	REAL300025554458	0	34	-1.0	-45.24	310.33	1.51	-43.73
CN1C(=O)CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025554459	0	35	-1.0	-39.13	297.65	1.96	-37.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CCOC1CCCCO1	REAL300025554460	0	45	-1.0	-40.80	372.09	1.56	-39.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)F)=C1	REAL300025554461	0	30	-1.0	-39.57	283.38	-0.97	-40.54
O=C(CCC1=CC(Br)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025554462	0	30	-1.0	-36.39	293.90	3.18	-33.21
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300025554463	0	34	-1.0	-44.09	334.75	3.85	-40.24
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1CCCCC1	REAL300025554464	0	40	-1.0	-43.42	329.90	2.73	-40.69
O=C(CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025554465	0	35	-1.0	-41.96	340.74	4.12	-37.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)F	REAL300025554466	0	30	-1.0	-45.19	281.02	0.26	-44.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300025554467	0	35	-1.0	-51.73	310.93	2.69	-49.04
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL300025554468	0	37	-1.0	-37.01	322.31	2.76	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)N=C1	REAL300025554469	0	30	-1.0	-38.24	283.10	-0.98	-39.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=NC=C1	REAL300025554470	0	33	-1.0	-39.27	292.07	0.86	-38.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=[NH+]C=C1	REAL300025554470	1	34	0.0	-65.79	297.09	1.36	-64.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1OC(F)F	REAL300025554471	0	34	-1.0	-40.22	304.11	4.16	-36.06
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025554472	0	36	-1.0	-40.80	325.60	1.71	-39.09
CC(C)(C)OC(=O)NCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025554473	0	53	-1.0	-40.98	395.19	2.29	-38.69
CCS(=O)(=O)C1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554474	0	36	-1.0	-46.78	327.91	0.14	-46.64
CCSC1=CC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554475	0	31	-1.0	-36.21	295.01	3.40	-32.81
O=C(CCC(=O)C1=CC=C2NC(=O)CCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554476	0	40	-1.0	-41.77	347.00	1.55	-40.22
CC1=CC(C)=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554477	0	30	-1.0	-37.63	276.98	2.91	-34.72
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025554478	0	38	-1.0	-41.27	328.87	1.86	-39.41
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL300025554479	0	31	-1.0	-37.29	292.68	3.26	-34.03
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025554480	0	35	-1.0	-39.79	307.58	3.29	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C(O)=C1	REAL300025554481	0	25	-1.0	-35.51	258.81	-0.66	-36.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025554481	1	24	-2.0	-84.95	255.24	0.10	-84.85
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554482	0	38	-1.0	-40.72	330.52	4.26	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1SC1=CC=CC=C1	REAL300025554483	0	35	-1.0	-43.39	330.67	4.95	-38.44
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL300025554484	0	31	-1.0	-38.65	292.26	2.25	-36.40
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025554485	0	51	-1.0	-51.62	416.13	0.52	-51.10
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025554486	0	33	-1.0	-39.39	318.44	0.83	-38.56
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C3=CC=CS3)NC2=CC=C1	REAL300025554487	0	34	-1.0	-47.70	318.09	2.71	-44.99
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(C3=CC=CS3)=NC2=CC=C1	REAL300025554487	1	34	-1.0	-39.99	317.01	2.76	-37.23
CC1=NC=CC(NCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025554488	0	40	-1.0	-41.30	349.15	2.53	-38.77
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025554488	1	41	0.0	-60.18	352.28	2.98	-57.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300025554489	0	29	-2.0	-78.14	291.06	-2.74	-80.88
CC(C)(C)OC(=O)N1CC2CC(C(=O)NCC3=NC(=O)O[N-]3)CC(C1)C2=O	REAL300025554490	0	50	-1.0	-42.11	383.20	3.28	-38.83
COC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025554491	0	30	-1.0	-37.84	287.04	0.75	-37.09
CN1C=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC2=O)C=N1	REAL300025554492	0	34	-1.0	-39.45	301.25	0.86	-38.59
CC1=NN(CC(F)F)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554493	0	33	-1.0	-39.43	302.95	0.88	-38.55
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)CC1	REAL300025554494	0	49	-1.0	-39.72	394.66	1.52	-38.20
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025554495	0	41	-1.0	-48.09	353.31	2.31	-45.78
C=CCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554496	0	36	-1.0	-40.47	312.58	2.42	-38.05
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025554497	0	43	-1.0	-38.02	364.39	-0.35	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300025554498	0	34	-1.0	-44.52	317.87	1.82	-42.70
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554499	0	38	-1.0	-39.15	348.50	3.14	-36.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1I	REAL300025554500	0	24	-1.0	-39.14	266.81	2.30	-36.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCOC2)=C1	REAL300025554501	0	35	-1.0	-37.47	305.13	-1.68	-39.15
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025554502	0	36	-1.0	-37.86	327.38	4.32	-33.54
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554503	0	44	-1.0	-41.74	352.66	4.85	-36.89
N#CC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554504	0	32	-1.0	-39.17	300.90	-0.07	-39.24
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025554505	0	27	-1.0	-48.05	262.61	-0.64	-48.69
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554506	0	32	-2.0	-79.56	294.03	-2.21	-81.77
COC1=CC=C2ON=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025555507	0	33	-1.0	-43.07	298.65	0.34	-42.73
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CSC=N1	REAL300025555508	0	40	-1.0	-38.46	354.93	-1.31	-39.77
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C(C)NC(=O)OC(C)(C)C	REAL300025555509	0	49	-1.0	-38.43	377.01	2.05	-36.38
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555510	0	41	-1.0	-43.49	337.76	0.86	-42.63
CC(C)(C)OC(=O)NCC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555511	0	44	-1.0	-41.25	360.31	0.68	-40.57
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555512	0	47	-1.0	-39.02	386.50	2.37	-36.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2	REAL300025555513	0	41	-1.0	-42.00	349.49	4.53	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2	REAL300025555514	0	38	-1.0	-53.62	343.17	4.26	-49.36
CC1=CC=C(F)C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025555515	0	41	-1.0	-50.09	358.28	4.87	-45.22
CC1=CC=CC(F)=C1N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025555516	0	41	-1.0	-45.30	352.11	4.90	-40.40
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2	REAL300025555517	0	38	-1.0	-48.46	336.02	4.09	-44.37
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555518	0	27	-1.0	-43.67	275.87	-2.36	-46.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC(Br)=CC=C2O1	REAL300025555519	0	29	-1.0	-34.97	292.42	1.91	-33.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300025555520	0	37	-1.0	-38.92	327.17	2.58	-36.34
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(SC2CCCC2)=N1	REAL300025555521	0	40	-1.0	-38.00	356.98	3.68	-34.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025555522	0	27	-2.0	-90.62	263.85	1.64	-88.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1O	REAL300025555522	1	28	-1.0	-37.73	267.41	0.64	-37.09
CC(=O)NC(=CC1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555523	0	32	-1.0	-43.64	296.52	1.28	-42.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025555524	0	29	-2.0	-81.73	277.81	-1.27	-83.00
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CCC(=O)N1C1CC1	REAL300025555525	0	45	-1.0	-39.98	362.07	1.98	-38.00
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300025555526	0	34	-1.0	-38.73	295.46	3.39	-35.34
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025555527	0	41	-1.0	-38.46	339.81	1.07	-37.39
O=C(CCS(=O)(=O)C1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025555528	0	33	-1.0	-42.30	327.73	0.17	-42.13
CCOC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025555529	0	36	-1.0	-40.83	318.65	4.19	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300025555530	0	44	-1.0	-40.50	361.12	4.98	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300025555531	0	30	-1.0	-42.50	294.98	-1.03	-43.53
COC1=C(Br)C=CC(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555532	0	31	-1.0	-39.14	297.39	1.56	-37.58
O=C(CC1=NOC2=CC=C(Br)C=C21)NCC1=NC(=O)O[N-]1	REAL300025555533	0	29	-1.0	-40.34	290.47	1.67	-38.67
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025555534	0	34	-1.0	-36.58	309.98	3.75	-32.83
O=C(CCSC1=C2N=CNC2=NC=N1)NCC1=NC(=O)O[N-]1	REAL300025555535	0	32	-1.0	-44.99	304.16	1.95	-43.04
CCOCN1N=C(C)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025555536	0	40	-1.0	-42.09	343.37	0.05	-42.04
CCOCN1N=C(C)C(CC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025555537	0	46	-1.0	-40.68	373.21	1.05	-39.63
COC1=CC=CC(S(=O)CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555538	0	33	-1.0	-45.42	305.77	-0.90	-46.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1	REAL300025555539	0	37	-1.0	-37.83	328.61	3.35	-34.48
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555540	0	24	-1.0	-35.15	254.41	1.40	-33.75
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2F)C2=C1CCC2	REAL300025555541	0	38	-1.0	-51.88	353.06	4.70	-47.18
CC1=CC(F)=CC(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025555542	0	41	-1.0	-42.66	355.73	4.70	-37.96
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555543	0	33	-1.0	-42.77	296.67	4.70	-38.07
O=C(CCC1=CC=CC(OC(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025555544	0	34	-1.0	-39.09	306.41	2.12	-36.97
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)O1	REAL300025555545	0	24	-1.0	-34.91	244.48	0.56	-34.35
C=C(Cl)CSC1=NC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555546	0	34	-1.0	-38.11	344.86	2.67	-35.44
COC(=O)N1CC2CCC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025555547	0	39	-1.0	-44.47	314.31	1.69	-42.78
COC(=O)N1CC2C=CC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025555548	0	37	-1.0	-44.21	306.26	1.77	-42.44
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300025555549	0	37	-1.0	-35.76	292.27	2.88	-32.88
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1	REAL300025555550	0	40	-1.0	-34.33	334.91	5.74	-28.59
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555551	0	44	-1.0	-39.72	365.70	0.57	-39.15
CC(C)(C)OC(=O)NC(CCC(=O)NCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025555552	0	59	-1.0	-38.03	452.05	4.24	-33.79
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555553	0	40	-1.0	-38.28	341.65	4.11	-34.17
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025555554	0	32	-1.0	-43.70	297.29	-2.31	-46.01
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025555555	0	27	-1.0	-38.47	282.39	2.60	-35.87
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025555555	1	26	-2.0	-104.51	281.07	0.78	-103.73
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC(=O)C2=CC=CC=C21	REAL300025555556	0	33	-1.0	-43.74	283.07	2.14	-41.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL300025555557	0	25	-1.0	-39.05	266.54	0.82	-38.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300025555558	0	29	-1.0	-39.93	274.52	-0.11	-40.04
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025555559	0	23	-2.0	-78.70	250.45	-1.82	-80.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(I)C(O)=C1	REAL300025555559	1	24	-1.0	-35.99	254.01	-2.59	-38.58
CC(C)(C)OC(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025555560	0	42	-1.0	-41.43	335.49	3.19	-38.24
CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCC2=NC(=O)O[N-]2)COC1(C)C	REAL300025555561	0	51	-1.0	-42.02	400.27	1.32	-40.70
CC(CC(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025555562	0	30	-1.0	-36.40	284.40	0.78	-35.62
CN1N=C2C=C(Br)C=CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555563	0	30	-1.0	-36.63	294.22	1.49	-35.14
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL300025555564	0	26	-1.0	-40.50	269.66	1.17	-39.33
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555565	0	48	-1.0	-41.05	385.85	4.19	-36.86
CC(C)(C)OC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555566	0	47	-1.0	-41.77	363.95	3.13	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1OC(F)F	REAL300025555567	0	28	-1.0	-38.19	279.49	2.50	-35.69
COC1=CC(Br)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555568	0	28	-1.0	-37.43	284.50	2.69	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025555569	0	29	-2.0	-82.76	279.30	0.88	-81.88
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300025555569	1	30	-1.0	-47.03	281.76	1.31	-45.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300025555570	0	31	-1.0	-38.28	288.51	2.28	-36.00
CC1=C([N+](=O)[O-])C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025555571	0	31	-1.0	-35.09	287.48	2.72	-32.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)SC1=NS(=O)(=O)CCN21	REAL300025555572	0	35	-1.0	-46.99	327.90	-0.30	-47.29
O=C(CNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025555573	0	31	-1.0	-42.02	294.85	-4.36	-46.38
CNC1=CC(I)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555574	0	29	-1.0	-34.66	278.58	1.31	-33.35
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025555575	0	33	-1.0	-38.00	306.74	3.50	-34.50
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C	REAL300025555576	0	38	-1.0	-46.83	327.21	2.42	-44.41
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025555577	0	38	-1.0	-38.06	328.18	2.02	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2F)C2=C1CCC2	REAL300025555578	0	38	-1.0	-49.71	346.50	4.61	-45.10
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(F)=C2)C2=C1CCC2	REAL300025555579	0	38	-1.0	-41.12	352.19	4.60	-36.52
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2	REAL300025555580	0	38	-1.0	-42.90	340.75	4.10	-38.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2F)C2=C1CCC2	REAL300025555581	0	38	-1.0	-47.52	346.50	4.61	-42.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL300025555582	0	27	-1.0	-39.74	276.58	2.96	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=CC(Br)=CC=C21	REAL300025555583	0	31	-1.0	-35.61	287.88	3.45	-32.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025555584	0	26	-2.0	-86.15	269.12	2.37	-83.78
COC1=C(Br)C=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555585	0	28	-1.0	-39.67	284.23	1.07	-38.60
CSC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555586	0	37	-1.0	-38.56	328.86	4.34	-34.22
O=C(CN1N=NN=C1C1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL300025555587	0	29	-1.0	-40.92	279.83	-0.36	-41.28
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300025555588	0	33	-1.0	-43.18	306.04	1.31	-41.87
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(Cl)C=C2C=C1	REAL300025555589	0	32	-1.0	-44.32	298.49	2.96	-41.36
CCOC(=O)C1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555590	0	42	-1.0	-38.90	335.08	3.33	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL300025555591	0	30	-1.0	-45.91	288.89	4.36	-41.55
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=N1	REAL300025555592	0	35	-1.0	-41.67	309.41	2.40	-39.27
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Br)C=N1	REAL300025555593	0	37	-1.0	-39.83	340.60	4.51	-35.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2S1	REAL300025555594	0	26	-1.0	-35.10	275.46	1.25	-33.85
CCCC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555595	0	42	-1.0	-37.34	353.03	5.54	-31.80
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1CCOCC1	REAL300025555596	0	40	-1.0	-36.93	328.64	1.26	-35.67
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555597	0	41	-1.0	-38.80	338.45	-0.22	-39.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC(Br)=N1	REAL300025555598	0	20	-1.0	-37.10	244.04	-0.69	-37.79
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025555599	0	29	-1.0	-40.77	290.14	2.86	-37.91
N#CC1=CC(Br)=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555600	0	34	-1.0	-36.99	322.87	1.30	-35.69
COC(=O)C1=C(COCC(=O)NCC2=NC(=O)O[N-]2)OC=N1	REAL300025555601	0	33	-1.0	-46.11	308.77	-2.58	-48.69
C[N@@H+]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025555602	0	40	0.0	-56.26	303.77	3.40	-52.86
C[N@H+]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025555602	1	40	0.0	-56.65	320.65	3.71	-52.94
CC1=C(C2=CC=CO2)N=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555603	0	33	-1.0	-42.26	312.32	1.29	-40.97
O=C(CN1CC2=CC=CC=C2OC1=O)NCC1=NC(=O)O[N-]1	REAL300025555604	0	33	-1.0	-46.52	295.23	1.84	-44.68
CC1=C(C2=CC=CC=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555605	0	34	-1.0	-38.44	312.38	4.37	-34.07
O=C(CCC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025555606	0	30	-1.0	-37.42	295.26	3.38	-34.04
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C2=CC=CC=C2)=C1	REAL300025555607	0	44	-1.0	-40.49	375.25	5.88	-34.61
CCC1=C(C2=CC=CC=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555608	0	37	-1.0	-38.26	332.76	5.09	-33.17
CC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025555609	0	37	-1.0	-37.97	327.88	3.70	-34.27
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCOCC2)C=C1C	REAL300025555610	0	44	-1.0	-36.86	343.75	3.17	-33.69
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)NC2=C(F)C=CC=C2F)CC1	REAL300025555611	0	35	-1.0	-43.22	323.38	1.42	-41.80
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300025555612	0	37	-1.0	-36.39	327.00	4.32	-32.07
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300025555613	0	38	-1.0	-36.92	334.28	3.11	-33.81
CC(C)(C)OC(=O)N1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555614	0	47	-1.0	-44.74	368.48	2.66	-42.08
CC(C)(C)OC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025555615	0	44	-1.0	-39.43	355.81	2.40	-37.03
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555616	0	47	-1.0	-44.55	370.89	0.95	-43.60
CC(C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025555617	0	40	-1.0	-38.61	324.06	1.05	-37.56
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(=O)C2=CC=CC=C21	REAL300025555618	0	32	-1.0	-45.23	284.29	2.96	-42.27
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555619	0	48	-1.0	-41.16	379.69	3.32	-37.84
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555620	0	47	-1.0	-47.89	388.04	2.19	-45.70
CS(=O)(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555621	0	38	-1.0	-43.34	320.47	-1.57	-44.91
COC1=CC=C2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025555622	0	38	-1.0	-41.94	312.40	2.84	-39.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(C3=CC=C(Cl)C=C3)C=N2)C=C1	REAL300025555623	0	41	-1.0	-39.22	373.79	6.29	-32.93
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)N=C1	REAL300025555624	0	30	-1.0	-37.14	301.39	1.29	-35.85
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025555625	0	31	-1.0	-37.55	295.24	1.34	-36.21
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C2N=C(C(F)(F)F)N=C21	REAL300025555626	0	29	-1.0	-66.78	282.50	-0.33	-67.11
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555627	0	37	-1.0	-40.19	322.95	2.81	-37.38
O=C(COC1=NSN=C1N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025555628	0	36	-1.0	-36.40	322.51	-3.38	-39.78
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)SCCO1	REAL300025555629	0	34	-1.0	-38.71	304.07	2.83	-35.88
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555630	0	46	-1.0	-41.17	379.53	3.32	-37.85
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL300025555631	0	40	-1.0	-38.71	329.38	1.38	-37.33
O=C(CC(N1C=CN=C1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025555632	0	30	-1.0	-38.39	279.67	2.07	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300025555633	0	32	-1.0	-43.46	285.86	1.98	-41.48
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Br)=N1	REAL300025555634	0	20	-1.0	-39.30	230.10	-1.37	-40.67
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2)=NO1	REAL300025555635	0	35	-1.0	-41.29	308.50	1.94	-39.35
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025555636	0	34	-1.0	-43.04	317.70	1.03	-42.01
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025555637	0	35	-1.0	-34.96	312.25	1.45	-33.51
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(=O)C2=CC=CC=C21	REAL300025555638	0	33	-1.0	-41.80	284.29	0.93	-40.87
CC(CC(=O)NCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C21	REAL300025555639	0	39	-1.0	-38.94	309.15	2.05	-36.89
CCN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025555640	0	34	-1.0	-38.95	300.90	0.88	-38.07
CSC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555641	0	28	-1.0	-36.13	278.12	2.65	-33.48
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025555642	0	31	-1.0	-38.51	288.86	2.56	-35.95
CC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1C	REAL300025555643	0	36	-1.0	-37.37	326.28	3.17	-34.20
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025555644	0	33	-1.0	-38.10	306.76	1.64	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300025555645	0	33	-1.0	-39.57	303.23	1.31	-38.26
O=C(CC1OCC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025555646	0	32	-1.0	-38.01	296.96	2.21	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL300025555647	0	28	-1.0	-35.80	279.76	0.88	-34.92
NC1=C(Cl)C(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025555648	0	26	-1.0	-34.60	266.53	0.12	-34.48
CC(C)(C)OC(=O)N1C(C(=O)NCC2=NC(=O)O[N-]2)CCC1C1CC1	REAL300025555649	0	48	-1.0	-41.69	377.23	3.89	-37.80
CS(=O)(=O)C1=CC=C(NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555650	0	35	-1.0	-43.23	319.30	-2.45	-45.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1NC(=O)C(F)(F)F	REAL300025555651	0	30	-1.0	-34.42	287.56	-1.06	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300025555652	0	26	-1.0	-32.77	285.25	2.96	-29.81
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300025555653	0	35	-1.0	-40.21	306.33	0.53	-39.68
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300025555654	0	31	-1.0	-40.86	290.78	-0.79	-41.65
CCC(CC)(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025555655	0	44	-1.0	-40.02	346.03	4.07	-35.95
CC(C)(C)OC(=O)N1CC=C(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555656	0	42	-1.0	-39.99	340.17	2.02	-37.97
NC(=O)CC(NC(=O)CC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555657	0	41	-1.0	-47.61	367.55	-1.60	-49.21
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555658	0	38	-1.0	-54.29	341.05	-2.44	-56.73
NS(=O)(=O)C1=CC=C(NCC(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025555659	0	34	-1.0	-43.08	318.32	-4.94	-48.02
CN1CCC(CC2=CC=CC=C2)(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025555660	0	41	-1.0	-48.88	337.92	2.90	-45.98
CN1C(=O)[C@H](O)[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025555661	0	39	-1.0	-41.32	331.25	0.30	-41.02
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025555662	0	43	0.0	-60.11	358.85	2.16	-57.95
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC=CCC1	REAL300025555663	0	43	-1.0	-37.82	343.40	3.62	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300025555664	0	35	-1.0	-39.78	317.87	2.56	-37.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300025555665	0	33	-1.0	-39.66	309.49	2.82	-36.84
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL300025555666	0	35	-1.0	-37.03	304.37	3.91	-33.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CO1	REAL300025555667	0	36	-1.0	-40.09	312.97	2.17	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CCCCC1	REAL300025555668	0	46	-1.0	-36.98	369.54	5.04	-31.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CC=C(Cl)C=C1	REAL300025555669	0	42	-1.0	-37.10	370.45	5.34	-31.76
COC1=CC=CC(N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)OC(C)(C)C)=C1	REAL300025555670	0	48	-1.0	-42.31	400.43	3.46	-38.85
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555671	0	38	-1.0	-37.11	326.73	1.94	-35.17
O=C(N[C@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1)OCC1=CC=CC=C1	REAL300025555672	0	42	-1.0	-39.93	365.37	1.74	-38.19
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555673	0	43	-1.0	-36.27	345.45	0.06	-36.21
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555674	0	47	-1.0	-38.32	374.04	1.24	-37.08
O=C(NCC1=NC(=O)O[N-]1)C1CCOC2=CC=C(Br)C=C21	REAL300025555675	0	32	-1.0	-38.49	295.41	2.24	-36.25
CNC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025555676	0	33	-1.0	-44.24	304.75	-0.93	-45.17
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025555677	0	37	-1.0	-46.81	341.82	3.65	-43.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)N=C1	REAL300025555678	0	32	-1.0	-37.77	302.56	3.30	-34.47
CC1=NN=NN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555679	0	32	-1.0	-39.29	288.43	1.08	-38.21
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555680	0	39	-1.0	-42.31	351.27	4.72	-37.59
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555681	0	40	-1.0	-40.57	340.07	2.90	-37.67
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555682	0	45	-1.0	-41.08	369.47	4.79	-36.29
O=C(CCCC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025555683	0	43	-1.0	-37.88	351.35	5.81	-32.07
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL300025555684	0	34	-1.0	-37.28	299.29	3.64	-33.64
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)C(Br)=C1	REAL300025555685	0	43	-1.0	-37.39	345.43	5.28	-32.11
O=C(NCC1=NC(=O)O[N-]1)C1=NSC=C1Br	REAL300025555686	0	20	-1.0	-39.28	225.03	-0.84	-40.12
O=C(NCC1=NC(=O)O[N-]1)C(CC1CCCO1)C(F)(F)F	REAL300025555687	0	34	-1.0	-36.52	294.26	0.89	-35.63
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025555688	0	45	-1.0	-36.40	346.29	3.90	-32.50
O=C(N[C@@H](CO)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025555689	0	35	-1.0	-38.23	316.96	-2.85	-41.08
O=C(CC1=CC=C(F)C=C1)N[C@@H](CO)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555690	0	38	-1.0	-40.42	341.60	-2.18	-42.60
O=C(N[C@@H](CO)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=N1	REAL300025555691	0	34	-1.0	-42.85	314.20	-4.68	-47.53
CCC(CC)(COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555692	0	46	-1.0	-35.97	369.41	4.20	-31.77
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555693	0	49	0.0	-49.28	381.29	0.53	-48.75
COC1=CC=C(CN2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025555694	0	40	-1.0	-45.53	345.53	0.90	-44.63
O=C(CC1(CN2C=NN=N2)CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025555695	0	41	-1.0	-37.77	318.42	2.60	-35.17
N#CC1=CC(Br)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555696	0	28	-1.0	-39.79	285.79	2.57	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=C(Cl)C=CC=C2Cl)S1	REAL300025555697	0	33	-1.0	-37.23	338.51	3.47	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300025555698	0	30	-1.0	-36.94	304.65	2.47	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300025555699	0	30	-1.0	-41.52	296.09	2.20	-39.32
CC(C)OC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025555700	0	34	-1.0	-35.11	310.79	2.58	-32.53
CC1=CC=CC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2C)=C1	REAL300025555701	0	38	-1.0	-38.22	320.08	4.34	-33.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL300025555702	0	32	-1.0	-52.21	284.38	1.20	-51.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL300025555703	0	32	-1.0	-44.68	284.21	1.20	-43.48
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555704	0	40	-1.0	-41.54	343.74	-0.48	-42.02
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025555705	0	30	-1.0	-38.61	285.36	0.83	-37.78
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555706	0	42	-1.0	-40.19	338.87	3.28	-36.91
COC1=CC=CC=C1CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025555707	0	44	-1.0	-42.94	378.53	5.60	-37.34
CC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025555708	0	30	-1.0	-36.49	275.35	2.89	-33.60
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555709	0	38	-1.0	-38.76	323.57	3.16	-35.60
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555710	0	41	-1.0	-39.44	357.02	5.01	-34.43
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025555711	0	27	-1.0	-33.34	262.93	2.37	-30.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300025555712	0	26	-1.0	-37.53	271.99	0.99	-36.54
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300025555713	0	27	-1.0	-38.19	285.24	2.22	-35.97
O=C(CCC1=CSC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025555714	0	27	-1.0	-36.18	276.52	2.01	-34.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(N2CCCC2)=C1	REAL300025555715	0	36	-1.0	-35.63	320.23	2.17	-33.46
O=C(CC(N1C=CC=N1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025555716	0	30	-1.0	-38.75	278.41	0.78	-37.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300025555717	0	30	-1.0	-39.02	301.57	-0.83	-39.85
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL300025555718	0	26	-1.0	-37.47	265.44	0.93	-36.54
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL300025555719	0	38	-1.0	-39.46	330.56	2.83	-36.63
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCCC2)C=C1	REAL300025555720	0	49	-1.0	-36.93	373.89	6.25	-30.68
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025555721	0	35	-1.0	-36.87	321.61	2.79	-34.08
CC(C)N(C)S(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555722	0	45	-1.0	-41.53	388.74	1.65	-39.88
COC(=O)C1=CC=C2CCCC(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025555723	0	43	-1.0	-41.23	354.80	4.61	-36.62
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Br	REAL300025555724	0	24	-1.0	-39.77	260.67	1.85	-37.92
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC=CC1	REAL300025555725	0	40	-1.0	-36.32	326.37	3.30	-33.02
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025555726	0	44	-1.0	-39.37	343.12	3.86	-35.51
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025555727	0	46	-1.0	-38.94	355.97	4.06	-34.88
CC(C)(C)OC(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555728	0	45	-1.0	-41.48	349.95	3.82	-37.66
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1(Br)Br	REAL300025555729	0	24	-1.0	-34.64	250.68	1.42	-33.22
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCOCC1	REAL300025555730	0	42	-1.0	-40.72	330.96	2.24	-38.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300025555731	0	30	-1.0	-36.83	286.20	2.11	-34.72
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NCC(F)(F)F)=N1	REAL300025555732	0	34	-1.0	-36.05	313.73	0.81	-35.24
CC(C)(C)OC(=O)NC1=CN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025555733	0	47	-1.0	-45.86	382.17	0.55	-45.31
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025555734	0	33	-1.0	-37.60	296.39	1.03	-36.57
CC(C)(C)OC(=O)N1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025555735	0	45	-1.0	-39.60	379.97	3.40	-36.20
C[C@@H](C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025555736	0	40	-1.0	-38.36	325.29	1.10	-37.26
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025555737	0	42	-1.0	-37.85	364.85	2.51	-35.34
CC(C)(C)OC(=O)N1CCC(N2N=NC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555738	0	50	-1.0	-38.12	402.62	1.53	-36.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)C=N1	REAL300025555739	0	23	-1.0	-34.95	254.73	0.38	-34.57
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025555740	0	35	-1.0	-37.74	312.65	2.47	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300025555741	0	28	-1.0	-34.49	277.49	2.52	-31.97
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(SCC(C)C)=N1	REAL300025555742	0	39	-1.0	-37.87	355.49	2.95	-34.92
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1Br	REAL300025555743	0	31	-1.0	-35.01	293.60	2.14	-32.87
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025555744	0	33	-1.0	-37.52	300.58	1.38	-36.14
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=NC(=O)O[N-]1	REAL300025555745	0	34	-1.0	-42.47	308.16	0.49	-41.98
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555746	0	34	-1.0	-39.87	321.28	1.03	-38.84
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555747	0	43	-1.0	-43.78	361.88	3.94	-39.84
COCCCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025555748	0	36	-1.0	-38.56	320.60	-1.11	-39.67
CC(C)(C)N1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025555749	0	33	-1.0	-41.64	305.62	1.46	-40.18
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300025555750	0	41	-1.0	-37.46	306.83	2.00	-35.46
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1	REAL300025555751	0	34	-1.0	-35.86	315.36	0.73	-35.13
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555752	0	52	-1.0	-38.34	400.15	3.03	-35.31
CC(C)(C)OC(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025555753	0	46	-1.0	-40.37	353.87	2.44	-37.93
CN1C(=O)C(C)(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025555754	0	38	-1.0	-37.70	325.60	2.56	-35.14
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555755	0	43	-1.0	-40.11	361.80	3.95	-36.16
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555756	0	48	-1.0	-44.98	378.42	3.34	-41.64
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025555757	0	31	-1.0	-35.34	288.01	1.43	-33.91
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555758	0	32	-1.0	-37.61	289.83	1.22	-36.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Br)=C2)=NO1	REAL300025555759	0	30	-1.0	-36.34	301.09	2.65	-33.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NO1	REAL300025555760	0	30	-1.0	-36.42	301.08	2.66	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300025555761	0	27	-1.0	-36.25	276.92	2.96	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300025555762	0	33	-1.0	-39.06	300.46	2.69	-36.37
O=C(CC1=CC=C(C2CCCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025555763	0	43	-1.0	-36.86	347.61	5.54	-31.32
CC1=C(Br)C=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555764	0	26	-1.0	-34.45	250.52	0.48	-33.97
CC(C)[C@@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025555765	0	41	-1.0	-48.30	340.52	5.27	-43.03
COC1=CC=C(OC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555766	0	38	-1.0	-38.69	310.50	1.79	-36.90
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025555767	0	39	-1.0	-35.24	336.61	4.73	-30.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1	REAL300025555768	0	34	-1.0	-40.24	319.70	1.28	-38.96
CC(C)N1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025555769	0	37	-1.0	-38.71	315.69	1.30	-37.41
O=C(CC1=C(Cl)C=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025555770	0	27	-1.0	-37.58	277.88	2.65	-34.93
CC(C)(OC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555771	0	34	-1.0	-35.89	302.29	3.13	-32.76
CCC(C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025555772	0	43	-1.0	-38.26	344.33	2.22	-36.04
O=C(NCC1=NC(=O)O[N-]1)C(CC1COCCO1)C(F)(F)F	REAL300025555773	0	35	-1.0	-36.66	300.92	-0.21	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300025555774	0	34	-1.0	-40.47	307.86	1.91	-38.56
CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555775	0	37	-1.0	-36.01	315.18	1.26	-34.75
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555776	0	44	-1.0	-43.91	355.12	1.82	-42.09
O=C(CC1=CC=C(Br)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025555777	0	27	-1.0	-37.41	272.50	2.39	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300025555778	0	30	-1.0	-51.44	278.00	1.04	-50.40
CC(C)N(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025555779	0	43	-1.0	-41.46	344.59	2.37	-39.09
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025555780	0	39	-1.0	-38.92	330.82	3.66	-35.26
CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555781	0	49	-1.0	-46.00	374.79	2.31	-43.69
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555782	0	43	0.0	-63.64	337.74	1.84	-61.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555782	1	43	0.0	-62.84	345.33	2.28	-60.56
CC(C)[N@@H+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025555783	0	49	0.0	-55.01	364.02	2.71	-52.30
CC(C)[N@H+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025555783	1	49	0.0	-60.42	372.49	2.94	-57.48
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025555784	0	36	-1.0	-40.18	316.22	1.70	-38.48
CC1=CC=NC(NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025555785	0	37	-1.0	-42.72	324.68	4.19	-38.53
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300025555786	0	27	-1.0	-34.29	276.66	2.44	-31.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300025555787	0	30	-1.0	-38.10	279.29	3.81	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300025555788	0	30	-1.0	-54.61	288.11	3.20	-51.41
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300025555789	0	38	-1.0	-42.37	329.93	2.70	-39.67
CC1=NC(C2=CC=CS2)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025555790	0	33	-1.0	-39.81	317.16	2.07	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300025555791	0	37	0.0	-53.77	310.13	1.74	-52.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300025555792	0	38	-1.0	-40.65	332.47	1.80	-38.85
NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=N1	REAL300025555793	0	25	-1.0	-36.09	252.94	-1.45	-37.54
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025555794	0	38	-1.0	-39.69	333.57	5.12	-34.57
COC1=CC(OC)=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025555795	0	38	-1.0	-57.82	326.91	0.89	-56.93
COC1=CC(OC)=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025555795	1	37	-2.0	-94.01	323.67	0.45	-93.56
CC(C(=O)NCC1=NC(=O)O[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300025555796	0	47	-1.0	-44.52	376.26	0.34	-44.18
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555797	0	35	-1.0	-42.97	301.20	-2.30	-45.27
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025555798	0	35	-1.0	-42.80	314.26	1.22	-41.58
CC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025555799	0	30	-1.0	-37.96	282.16	2.80	-35.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300025555800	0	39	-1.0	-40.61	327.26	0.56	-40.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300025555801	0	33	-1.0	-45.48	298.75	1.47	-44.01
NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555802	0	36	-1.0	-52.24	346.89	-5.25	-57.49
NC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025555803	0	26	-1.0	-35.26	264.77	0.09	-35.17
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300025555804	0	36	-1.0	-38.03	287.43	3.83	-34.20
CC(C)(C)OC(=O)N1CCC(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555805	0	48	-1.0	-41.73	391.76	1.17	-40.56
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2)C1	REAL300025555805	1	48	-1.0	-41.77	391.67	1.15	-40.62
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025555806	0	49	-1.0	-47.55	394.87	1.46	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300025555807	0	27	-1.0	-37.16	272.35	2.56	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300025555808	0	37	-1.0	-37.50	313.27	4.45	-33.05
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(Br)=CS1	REAL300025555809	0	21	-1.0	-35.06	250.96	1.26	-33.80
CCCCCCCCCCCCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555810	0	59	-1.0	-35.47	453.38	8.27	-27.20
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025555811	0	34	-1.0	-39.23	300.86	0.86	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300025555812	0	35	-1.0	-38.88	305.89	1.52	-37.36
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCN(C(=O)OCC1=CC=CC=C1)C2	REAL300025555813	0	46	-1.0	-44.49	391.80	4.38	-40.11
CC(C)(C)OC(=O)N1CCCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555814	0	47	-1.0	-41.29	365.22	3.07	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300025555815	0	36	-1.0	-37.67	331.28	3.23	-34.44
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555816	0	47	-1.0	-37.04	384.97	-0.40	-37.44
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025555817	0	44	-1.0	-40.05	379.13	2.51	-37.54
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025555818	0	43	-1.0	-49.29	370.28	-2.00	-51.29
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555819	0	48	-1.0	-40.14	385.61	4.49	-35.65
CN1C(=O)CO[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025555820	0	38	-1.0	-35.59	316.07	0.74	-34.85
COC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025555821	0	39	-1.0	-38.36	319.48	1.94	-36.42
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1(C)C	REAL300025555822	0	42	-1.0	-36.35	332.16	3.55	-32.80
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025555823	0	45	-1.0	-39.50	355.89	3.88	-35.62
CS(=O)(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025555824	0	31	-1.0	-47.12	301.57	-1.97	-49.09
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300025555825	0	34	-1.0	-40.50	303.64	2.75	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1N1C=NN=N1	REAL300025555826	0	29	-1.0	-43.04	288.41	2.46	-40.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CNC1=O	REAL300025555827	0	24	-1.0	-49.00	244.59	-1.12	-50.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300025555828	0	33	-1.0	-40.66	298.67	3.69	-36.97
CC1=C(S(C)(=O)=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025555829	0	30	-1.0	-46.67	286.23	-2.64	-49.31
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300025555830	0	32	-1.0	-38.24	288.97	3.97	-34.27
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300025555831	0	31	-1.0	-39.54	303.09	3.95	-35.59
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025555832	0	36	-1.0	-35.20	319.48	4.24	-30.96
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300025555833	0	38	-1.0	-45.35	329.06	3.46	-41.89
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555834	0	44	-1.0	-39.82	361.96	-1.16	-40.98
COC1=CC=C([C@]2(C(=O)NCC3=NC(=O)O[N-]3)C[C@H](O)C2)C=C1	REAL300025555835	0	39	-1.0	-37.86	329.73	-0.85	-38.71
O=C(CCC(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025555836	0	32	-1.0	-42.30	294.63	2.40	-39.90
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)NCC1=NC(=O)O[N-]1	REAL300025555837	0	40	-1.0	-45.73	340.73	1.87	-43.86
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555838	0	45	-1.0	-48.09	361.23	0.28	-47.81
O=C(CC1=CC=C(Br)C(O)=C1)NCC1=NC(=O)O[N-]1	REAL300025555839	0	28	-1.0	-38.60	277.19	-0.45	-39.05
CC(C)(C)OC(=O)NCC(O)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025555840	0	41	-1.0	-41.23	343.28	-3.05	-44.28
N#CC1=CN(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025555841	0	30	-2.0	-86.39	293.04	-3.34	-89.73
COC1=CC=C(CN2CCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555842	0	40	-1.0	-40.10	339.42	-0.18	-40.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCOCC2)=NC=N1	REAL300025555843	0	35	-1.0	-38.08	300.52	-0.88	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL300025555844	0	32	-1.0	-41.10	285.99	-0.92	-42.02
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025555844	1	31	-2.0	-99.45	282.42	0.08	-99.37
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555845	0	45	-1.0	-42.08	362.31	-1.05	-43.13
COCCOCC[N@H+](C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555846	0	43	0.0	-54.83	349.49	0.08	-54.75
COCCOCC[N@@H+](C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555846	1	43	0.0	-55.65	349.50	0.08	-55.57
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CSCCSC1	REAL300025555847	0	34	-1.0	-38.78	295.30	0.03	-38.75
O=C(CCN1CSCCSC1)NCC1=NC(=O)O[N-]1	REAL300025555848	0	34	-1.0	-36.97	299.70	-0.18	-37.15
NC(=O)C1=CN(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025555849	0	34	-1.0	-42.05	308.22	-4.87	-46.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL300025555850	0	29	-1.0	-39.76	278.03	1.11	-38.65
CCSC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025555851	0	34	-1.0	-37.50	325.09	4.05	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2S1	REAL300025555852	0	27	-1.0	-36.09	281.48	3.07	-33.02
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555853	0	48	-1.0	-41.45	381.19	4.24	-37.21
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555854	0	41	-1.0	-39.32	341.36	0.25	-39.07
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555855	0	47	-1.0	-44.72	368.49	2.66	-42.06
CC(C)(C)OC(=O)NC1=NN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555856	0	47	-1.0	-42.98	381.89	1.55	-41.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL300025555857	0	33	-1.0	-48.89	288.54	1.52	-47.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL300025555858	0	33	-1.0	-48.89	288.54	1.52	-47.37
CC(C)(C)OC(=O)N1CCC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025555859	0	50	-1.0	-39.84	406.81	2.93	-36.91
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025555860	0	48	-1.0	-41.12	383.36	1.82	-39.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1N1C=NN=N1	REAL300025555861	0	29	-1.0	-49.52	288.40	1.89	-47.63
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555862	0	37	-1.0	-35.93	319.95	3.50	-32.43
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025555863	0	37	-1.0	-36.94	333.01	5.51	-31.43
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300025555864	0	35	-1.0	-49.68	322.12	1.78	-47.90
COC1=CC=C(CNC(=O)C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555865	0	39	-1.0	-40.26	348.53	0.03	-40.23
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025555866	0	48	0.0	-60.99	374.96	3.52	-57.47
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025555866	1	48	0.0	-57.04	373.71	3.60	-53.44
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555867	0	46	-1.0	-42.24	367.26	0.50	-41.74
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300025555868	0	28	-1.0	-36.22	286.07	2.77	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300025555869	0	32	-1.0	-39.31	294.99	2.22	-37.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300025555870	0	28	-1.0	-34.16	283.03	1.42	-32.74
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025555871	0	28	-1.0	-35.32	271.00	1.01	-34.31
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025555872	0	31	-1.0	-34.85	287.07	1.59	-33.26
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(C)(=O)=O)O1	REAL300025555873	0	30	-1.0	-44.85	286.07	-2.57	-47.42
CC1=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025555874	0	41	-1.0	-43.94	369.03	3.10	-40.84
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1CCOCC1	REAL300025555875	0	38	-1.0	-45.62	320.69	0.34	-45.28
CN1C=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025555876	0	35	-1.0	-40.78	306.66	-0.19	-40.97
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025555877	0	44	-1.0	-38.83	374.80	2.64	-36.19
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555878	0	31	-1.0	-37.73	304.06	3.27	-34.46
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025555879	0	34	-1.0	-37.97	313.85	2.31	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300025555880	0	33	-1.0	-44.17	298.76	1.46	-42.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300025555881	0	30	-1.0	-36.27	298.79	3.44	-32.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1	REAL300025555882	0	38	-1.0	-35.86	348.71	4.62	-31.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=C2COCCN21	REAL300025555883	0	29	-1.0	-36.10	271.74	-0.69	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300025555884	0	35	-1.0	-37.77	313.15	2.10	-35.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555885	0	30	-2.0	-88.73	289.98	-2.86	-91.59
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555885	1	31	-1.0	-44.71	290.05	-2.71	-47.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL300025555886	0	27	-1.0	-37.19	275.99	1.28	-35.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300025555887	0	35	-1.0	-39.75	301.89	-0.49	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1	REAL300025555888	0	30	-1.0	-43.51	310.95	2.42	-41.09
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555889	0	41	-1.0	-38.93	338.37	-0.14	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1Br)OCO2	REAL300025555890	0	27	-1.0	-36.81	263.39	0.35	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300025555891	0	38	-1.0	-46.14	320.39	1.97	-44.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(SCC2=CC=CC=C2)=N1	REAL300025555892	0	37	-1.0	-36.40	350.43	3.93	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300025555893	0	31	-1.0	-39.17	288.55	2.16	-37.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300025555894	0	26	-1.0	-40.23	267.79	1.06	-39.17
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025555895	0	46	0.0	-56.57	391.21	4.66	-51.91
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025555895	1	46	0.0	-61.33	388.60	4.66	-56.67
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025555896	0	49	0.0	-65.44	397.31	5.51	-59.93
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025555896	1	49	0.0	-64.23	397.80	5.75	-58.48
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555897	0	52	0.0	-60.17	404.48	6.52	-53.65
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555897	1	52	0.0	-59.86	405.02	6.49	-53.37
COC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025555898	0	39	-1.0	-40.45	336.63	-0.46	-40.91
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCC1=NC(=O)O[N-]1	REAL300025555899	0	34	-1.0	-39.08	303.15	0.98	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300025555900	0	40	-1.0	-40.83	337.04	6.08	-34.75
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025555901	0	49	0.0	-63.40	394.78	5.59	-57.81
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025555901	1	49	0.0	-60.41	397.78	5.61	-54.80
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555902	0	49	0.0	-59.40	387.89	6.01	-53.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555902	1	49	0.0	-59.23	387.78	5.98	-53.25
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025555903	0	53	0.0	-60.29	405.89	6.93	-53.36
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025555903	1	53	0.0	-60.66	404.69	6.98	-53.68
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025555904	0	47	0.0	-58.55	394.07	6.45	-52.10
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025555904	1	47	0.0	-56.20	395.26	6.67	-49.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300025555905	0	34	-1.0	-37.14	314.19	1.44	-35.70
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1OC(C)C	REAL300025555906	0	38	-1.0	-40.42	316.06	2.95	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=C(Br)N2N=C1	REAL300025555907	0	27	-1.0	-41.60	269.79	1.27	-40.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300025555908	0	34	-1.0	-39.87	314.62	1.38	-38.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300025555909	0	35	-1.0	-39.03	305.84	1.51	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300025555910	0	35	-1.0	-41.26	307.19	1.56	-39.70
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300025555911	0	41	-1.0	-47.72	362.85	3.38	-44.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300025555912	0	30	-1.0	-39.40	288.85	2.56	-36.84
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025555913	0	45	-1.0	-39.87	360.68	2.19	-37.68
CC(C)(C)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555914	0	40	-1.0	-36.97	331.76	4.56	-32.41
CC(C)(C)OC(=O)N1CCCC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555915	0	50	-1.0	-40.85	390.98	3.37	-37.48
COC1=CC=CC(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555916	0	51	-1.0	-42.53	412.06	2.38	-40.15
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555917	0	49	-1.0	-35.32	383.90	1.34	-33.98
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300025555918	0	48	-1.0	-46.67	381.22	2.26	-44.41
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025555919	0	40	-1.0	-41.50	331.60	-0.22	-41.72
CC(C)(C)OC(=O)NC1CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555920	0	42	-1.0	-39.02	347.68	0.47	-38.55
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(S(N)(=O)=O)=C1	REAL300025555921	0	29	-1.0	-44.36	279.91	-5.28	-49.64
COC1=CC=CC(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555922	0	48	-1.0	-40.33	398.49	1.40	-38.93
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025555923	0	48	-1.0	-40.92	384.35	1.31	-39.61
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC1	REAL300025555924	0	44	-1.0	-35.63	372.14	1.56	-34.07
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555925	0	42	-1.0	-40.92	341.22	1.99	-38.93
CC1=CC=C(C2=NN(C)C=C2C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025555926	0	34	-1.0	-43.83	306.71	2.41	-41.42
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCCCC1	REAL300025555927	0	43	-1.0	-38.46	318.79	5.44	-33.02
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025555928	0	41	-1.0	-40.85	353.28	5.76	-35.09
CC1=CC=CC(N2C=NC3=CC(C(=O)NCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025555929	0	40	-1.0	-40.91	349.11	6.35	-34.56
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025555930	0	32	-1.0	-34.72	292.95	0.64	-34.08
CCCCCCCCC=CCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555931	0	63	-1.0	-35.74	499.30	10.29	-25.45
O=C(CC1=CC=C(Br)C(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025555932	0	27	-1.0	-36.75	286.01	2.89	-33.86
CC(C)(C)OC(=O)NC(CC1=NC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555933	0	45	-1.0	-40.28	365.83	-1.08	-41.36
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300025555934	0	35	-1.0	-37.37	312.91	2.36	-35.01
CC1=NN(C2CCOCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555935	0	38	-1.0	-36.12	317.54	0.42	-35.70
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555936	0	47	-1.0	-36.51	384.06	3.01	-33.50
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555937	0	43	-1.0	-36.14	347.10	-2.05	-38.19
CO[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025555938	0	46	-1.0	-44.91	395.21	2.33	-42.58
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025555939	0	33	-1.0	-41.88	307.66	2.82	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300025555940	0	40	-1.0	-37.61	329.38	4.95	-32.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300025555941	0	37	-1.0	-36.52	324.55	3.41	-33.11
CO[C@@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025555942	0	46	-1.0	-45.77	395.21	2.32	-43.45
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025555943	0	31	-1.0	-36.71	298.21	1.93	-34.78
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025555944	0	36	-1.0	-35.43	319.48	4.24	-31.19
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555945	0	41	-1.0	-40.76	343.55	0.79	-39.97
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555946	0	34	-1.0	-37.90	297.16	-0.16	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300025555947	0	30	-1.0	-45.79	279.04	-2.34	-48.13
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL300025555948	0	48	-1.0	-37.69	351.59	4.78	-32.91
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555949	0	32	-1.0	-42.89	299.75	0.09	-42.80
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300025555950	0	33	-1.0	-39.43	309.84	1.43	-38.00
COCCOCCOCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555951	0	41	-1.0	-41.72	351.87	-0.86	-42.58
COC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1OC	REAL300025555952	0	38	-1.0	-39.79	325.57	2.56	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C=CC2=CC=CC=C2)CC1	REAL300025555953	0	46	-1.0	-43.62	390.76	2.12	-41.50
O=C(CC1(N2C=NN=N2)CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025555954	0	36	-1.0	-46.87	296.42	-0.12	-46.99
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025555955	0	37	-2.0	-103.72	323.43	2.08	-101.64
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(N2C=CC=C2)S1	REAL300025555956	0	32	-1.0	-38.56	295.45	3.94	-34.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300025555957	0	30	-2.0	-88.23	278.07	0.81	-87.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300025555957	1	30	-2.0	-88.02	278.17	0.83	-87.19
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025555958	0	36	-1.0	-45.60	331.12	0.76	-44.84
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025555959	0	30	-1.0	-36.46	307.14	-1.35	-37.81
CN1C=CC(NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025555960	0	36	-1.0	-40.91	314.15	2.07	-38.84
O=C(CC1CCN(CC(F)(F)F)CC1)NCC1=NC(=O)O[N-]1	REAL300025555961	0	38	-1.0	-36.38	317.48	0.79	-35.59
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)C(C)(C)C1(C)C	REAL300025555962	0	48	-1.0	-36.70	360.51	4.38	-32.32
O=C(NCC1=NC(=O)O[N-]1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300025555963	0	35	-1.0	-38.86	302.25	-1.05	-39.91
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=NN1	REAL300025555964	0	24	-1.0	-38.58	254.56	-1.13	-39.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300025555965	0	33	-1.0	-39.80	292.92	2.23	-37.57
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025555966	0	44	-1.0	-37.82	358.45	1.60	-36.22
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCO)N=C1C1CCOCC1	REAL300025555967	0	42	-1.0	-38.61	351.23	-2.29	-40.90
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555968	0	44	-1.0	-36.92	347.22	3.63	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300025555969	0	33	-1.0	-42.64	299.67	4.13	-38.51
O=C(CC1=CNC2=CC=C(Br)C=C12)NCC1=NC(=O)O[N-]1	REAL300025555970	0	31	-1.0	-41.01	299.03	2.41	-38.60
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300025555971	0	32	-1.0	-39.50	297.38	0.97	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL300025555972	0	35	-1.0	-51.31	293.94	-2.49	-53.80
NC1=C2N=CN(CCC(=O)NCC3=NC(=O)O[N-]3)C2=NC=N1	REAL300025555973	0	33	-1.0	-41.91	299.24	1.09	-40.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300025555974	0	29	-1.0	-40.15	281.96	-2.46	-42.61
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1I	REAL300025555975	0	21	-1.0	-37.17	227.95	-1.61	-38.78
CC1=CC=C(NC2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CS2)C=C1	REAL300025555976	0	35	-1.0	-41.27	317.24	1.58	-39.69
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555977	0	46	-1.0	-40.60	363.00	-0.48	-41.08
C#CCN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025555978	0	39	-1.0	-43.26	335.19	2.22	-41.04
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1SCC1=CC=CC=C1	REAL300025555979	0	36	-1.0	-42.06	332.97	2.62	-39.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL300025555980	0	33	-1.0	-39.55	301.47	2.54	-37.01
NC1=NN=NN1C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555981	0	31	-1.0	-43.99	282.21	0.95	-43.04
CC1=CC=CC=C1NC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CS1	REAL300025555982	0	35	-1.0	-41.72	313.47	1.59	-40.13
CCN1C(Br)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555983	0	27	-1.0	-35.79	263.70	0.81	-34.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300025555984	0	27	-1.0	-49.02	262.28	-0.75	-49.77
O=C(NC(CO)C(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025555985	0	39	-1.0	-38.90	347.48	-2.59	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CN=C2C(Br)=C1	REAL300025555986	0	27	-1.0	-38.67	268.76	2.18	-36.49
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)=NO2	REAL300025555987	0	43	-1.0	-39.25	365.23	-0.24	-39.49
CN1N=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555988	0	24	-1.0	-34.39	249.63	-0.30	-34.69
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025555989	0	47	-1.0	-40.40	372.55	1.10	-39.30
CC(=CC1=CC=C(Br)O1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555990	0	28	-1.0	-36.92	271.99	1.96	-34.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300025555991	0	34	-1.0	-38.79	324.45	1.90	-36.89
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(=O)O[N-]3)=C(CCO)C2=O)=N1	REAL300025555992	0	42	-2.0	-99.41	375.35	-0.09	-99.50
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025555993	0	43	-1.0	-40.42	369.35	5.66	-34.76
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555994	0	40	-1.0	-39.99	345.94	4.66	-35.33
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555995	0	40	-1.0	-43.04	345.58	5.10	-37.94
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025555996	0	43	-1.0	-41.78	376.49	5.46	-36.32
O=CC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555997	0	26	-1.0	-37.53	265.65	1.38	-36.15
O=CC1=CN=C2C(Br)=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN12	REAL300025555998	0	29	-1.0	-37.67	292.36	1.73	-35.94
O=C(NCC1=NC(=O)O[N-]1)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025555999	0	40	-1.0	-39.29	354.74	-0.80	-40.09
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL300025556000	0	34	-1.0	-41.83	303.67	1.90	-39.93
O=C(CN1N=C(Br)C(Br)=N1)NCC1=NC(=O)O[N-]1	REAL300025556001	0	23	-1.0	-38.45	264.74	-1.50	-39.95
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025556002	0	38	-1.0	-44.03	335.98	0.12	-43.91
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=NC2=C1	REAL300025556003	0	26	-1.0	-39.38	268.58	0.43	-38.95
CC(C)(C)OC(=O)N1C2=CC(O)=CC=C2CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556004	0	46	-1.0	-45.55	379.49	1.15	-44.40
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556005	0	34	-1.0	-38.35	312.71	4.02	-34.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300025556006	0	37	-1.0	-39.96	329.61	2.59	-37.37
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)NCC4=NC(=O)O[N-]4)O3)C2=NC=N1	REAL300025556007	0	41	-1.0	-43.67	356.53	2.40	-41.27
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556008	0	36	-1.0	-34.57	324.51	0.67	-33.90
CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)=CS1	REAL300025556009	0	30	-1.0	-38.25	301.12	1.58	-36.67
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NCC1=NC(=O)O[N-]1	REAL300025556010	0	40	-1.0	-41.94	350.72	3.30	-38.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300025556011	0	38	-1.0	-39.99	324.14	3.82	-36.17
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025556012	0	36	-1.0	-42.42	312.07	-2.33	-44.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300025556013	0	36	-1.0	-39.38	311.60	3.06	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300025556014	0	36	-1.0	-38.63	316.40	3.99	-34.64
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=N1	REAL300025556015	0	35	-1.0	-44.95	311.96	2.61	-42.34
COC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556016	0	46	-1.0	-42.79	382.45	2.32	-40.47
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1	REAL300025556017	0	45	-1.0	-38.47	372.48	3.92	-34.55
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556018	0	45	-1.0	-38.41	370.80	5.32	-33.09
COC1=CC=CC=C1NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556019	0	40	-1.0	-38.43	339.49	2.77	-35.66
COC1=CC=C(NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(OC)=C1	REAL300025556020	0	44	-1.0	-38.90	368.87	2.06	-36.84
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556021	0	48	-1.0	-37.22	380.20	6.28	-30.94
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025556022	0	32	-1.0	-38.52	300.52	2.10	-36.42
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=C(Br)C=CC=C3C21	REAL300025556023	0	32	-1.0	-38.16	293.36	4.07	-34.09
CC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025556024	0	30	-1.0	-43.55	287.58	0.76	-42.79
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556025	0	38	-1.0	-38.02	320.59	-4.55	-42.57
O=C(CC1CCN(CC(F)F)CC1)NCC1=NC(=O)O[N-]1	REAL300025556026	0	38	-1.0	-38.18	310.92	0.64	-37.54
COC1=CC(OC)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C=O	REAL300025556027	0	34	-1.0	-47.24	299.73	0.76	-46.48
NC1=C2N=CN(CCCC(=O)NCC3=NC(=O)O[N-]3)C2=NC=N1	REAL300025556028	0	36	-1.0	-45.86	320.74	1.89	-43.97
NC1=C2N=CN(CCCCC(=O)NCC3=NC(=O)O[N-]3)C2=NC=N1	REAL300025556029	0	39	-1.0	-43.72	342.24	2.68	-41.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCC(O)CC2)C=C1	REAL300025556030	0	43	-1.0	-42.35	369.27	-2.30	-44.65
O=C(CC(O)COCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025556031	0	38	-1.0	-42.62	332.53	0.42	-42.20
O=C(NCC1=NC(=O)O[N-]1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300025556032	0	35	-1.0	-40.57	309.98	2.03	-38.54
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556033	0	44	-1.0	-38.39	353.13	1.89	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300025556034	0	30	-1.0	-46.19	288.91	2.41	-43.78
CS(C)(=O)=NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556035	0	34	-1.0	-54.11	301.64	-0.64	-54.75
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025556036	0	38	-1.0	-38.55	329.84	5.65	-32.90
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300025556037	0	34	-1.0	-46.85	293.77	0.37	-46.48
CCOC(=O)C1CCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556038	0	41	-1.0	-38.08	337.72	0.70	-37.38
CCOC(=O)C1CCC[N@H+](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556038	1	42	0.0	-53.01	333.49	3.00	-50.01
CCOC(=O)C1CCC[N@@H+](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556038	1	42	0.0	-52.20	332.14	2.40	-49.80
CCC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC=C1C=O	REAL300025556039	0	39	-1.0	-36.38	316.57	2.53	-33.85
O=C(NCC1=NC(=O)O[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300025556040	0	44	0.0	-59.38	333.04	1.75	-57.63
O=C(NCC1=NC(=O)O[N-]1)C1CCC(N2CCOCC2)CC1	REAL300025556040	1	43	-1.0	-37.39	323.78	-0.65	-38.04
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556041	0	45	-1.0	-45.92	382.36	4.28	-41.64
CC1=NOC(COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025556042	0	35	-1.0	-38.31	321.58	-2.66	-40.97
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCOC1	REAL300025556043	0	42	-1.0	-40.34	330.94	2.25	-38.09
O=C(NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1)OCC1=CC=CC=C1	REAL300025556044	0	48	-1.0	-41.44	398.05	3.08	-38.36
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCOC1	REAL300025556045	0	45	-1.0	-43.38	352.78	3.06	-40.32
CC1=NOC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCOCC2)=C1	REAL300025556046	0	37	-1.0	-34.87	303.28	0.46	-34.41
CCN1C(=O)CO[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=NC=CN1C	REAL300025556047	0	42	-1.0	-36.52	350.25	0.37	-36.15
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025556048	0	33	-1.0	-36.98	300.09	3.05	-33.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1COCC1=CC=CC=C1	REAL300025556049	0	41	-1.0	-37.51	350.76	4.99	-32.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1OC(F)(F)F	REAL300025556050	0	28	-1.0	-38.92	271.77	2.16	-36.76
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556051	0	42	-1.0	-40.74	346.24	-0.57	-41.31
CC(C)(C)OC(=O)N1CCC2=C(CC(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C1	REAL300025556052	0	51	-1.0	-43.37	407.11	4.75	-38.62
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025556053	0	31	-1.0	-37.47	308.94	3.68	-33.79
CC(C)(C)OC(=O)NC1CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025556054	0	48	-1.0	-40.24	392.01	2.82	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025556055	0	47	0.0	-57.92	371.11	5.74	-52.18
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025556055	1	47	0.0	-58.16	371.28	5.73	-52.43
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCSCC1	REAL300025556056	0	43	-1.0	-36.50	345.18	3.75	-32.75
COC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025556057	0	34	-1.0	-40.54	309.33	1.34	-39.20
N#CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025556058	0	38	-1.0	-39.47	320.04	4.78	-34.69
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=C(Br)C=NC=C2C=C1	REAL300025556059	0	28	-1.0	-44.55	280.09	0.41	-44.14
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300025556060	0	37	-1.0	-36.67	333.11	2.54	-34.13
O=C(CC1=CC(Cl)=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025556061	0	27	-1.0	-36.02	279.21	2.74	-33.28
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1	REAL300025556062	0	33	-1.0	-38.74	314.05	2.85	-35.89
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(C2=CC=CC=C2)=N1	REAL300025556063	0	40	-1.0	-43.62	359.74	5.22	-38.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Br)S1	REAL300025556064	0	30	-1.0	-38.07	303.95	3.08	-34.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCCN2CCOCC2)C(F)=C1	REAL300025556065	0	45	-1.0	-39.16	371.21	-0.77	-39.93
CC1CC(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N1	REAL300025556066	0	37	-1.0	-38.13	314.39	-0.90	-39.03
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(Cl)C=C1	REAL300025556067	0	39	-1.0	-35.50	335.31	1.90	-33.60
CC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025556068	0	27	-1.0	-36.11	276.83	2.86	-33.25
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025556069	0	40	-1.0	-44.29	339.25	0.98	-43.31
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1	REAL300025556070	0	30	-1.0	-37.77	311.68	3.04	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C2=CC=CC=C2O1	REAL300025556071	0	27	-1.0	-38.64	270.86	2.07	-36.57
CN1C=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556072	0	24	-1.0	-41.47	251.88	-0.07	-41.54
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NN2C(C(F)(F)F)=C1	REAL300025556073	0	32	-1.0	-45.14	308.19	1.34	-43.80
O=C(COC1=CC=C(Br)C=N1)NCC1=NC(=O)O[N-]1	REAL300025556074	0	27	-1.0	-37.29	273.49	-0.36	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1CCCN2C=C(C(F)(F)F)N=C12	REAL300025556075	0	34	-1.0	-48.70	305.29	2.42	-46.28
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025556076	0	33	-1.0	-38.17	305.11	4.36	-33.81
COC1=CC=C(C2=C(CC(=O)NCC3=NC(=O)O[N-]3)SC(C)=N2)C=C1	REAL300025556077	0	40	-1.0	-39.53	353.11	2.14	-37.39
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1CCOCC1	REAL300025556078	0	40	-1.0	-38.27	328.82	1.26	-37.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL300025556079	0	24	-1.0	-35.21	258.58	2.12	-33.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC(C(F)(F)F)=N2)=C1	REAL300025556080	0	37	-1.0	-40.67	342.95	4.59	-36.08
COC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=C1	REAL300025556081	0	31	-1.0	-40.08	289.67	1.76	-38.32
COC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025556082	0	37	-1.0	-41.14	323.05	2.13	-39.01
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556083	0	38	-1.0	-36.59	326.29	4.62	-31.97
CC1(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C2NC1=O	REAL300025556084	0	33	-1.0	-39.00	292.81	-1.07	-40.07
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025556085	0	37	-1.0	-44.66	341.06	2.19	-42.47
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=C(Cl)C=CC=C12	REAL300025556086	0	32	-1.0	-40.72	290.92	2.61	-38.11
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CN(C)N=C1	REAL300025556087	0	37	-1.0	-40.02	320.06	2.84	-37.18
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL300025556088	0	35	-1.0	-34.85	312.44	2.32	-32.53
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025556089	0	34	-1.0	-37.89	304.47	4.43	-33.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1F	REAL300025556090	0	23	-1.0	-35.67	242.01	-0.17	-35.84
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556091	0	44	-1.0	-38.16	358.55	1.84	-36.32
CC1CN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025556092	0	43	-1.0	-37.50	347.29	1.36	-36.14
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025556093	0	26	-1.0	-34.06	275.12	1.92	-32.14
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556094	0	41	-1.0	-41.65	349.53	2.06	-39.59
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)C1	REAL300025556095	0	46	-1.0	-37.08	344.13	5.24	-31.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1	REAL300025556096	0	36	-1.0	-46.66	326.17	2.37	-44.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL300025556096	1	36	-1.0	-45.53	319.36	2.06	-43.47
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556097	0	32	-1.0	-37.05	294.72	2.70	-34.35
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556098	0	50	-1.0	-38.85	412.98	3.92	-34.93
CN1C(=O)COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025556099	0	33	-1.0	-38.21	288.26	0.03	-38.18
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025556100	0	32	-1.0	-44.54	309.90	3.01	-41.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C=C1F	REAL300025556101	0	24	-1.0	-34.82	252.65	1.79	-33.03
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300025556102	0	41	-1.0	-36.75	335.60	5.07	-31.68
CC1=CN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025556103	0	36	-1.0	-42.90	318.80	1.89	-41.01
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025556104	0	47	-1.0	-40.84	394.52	7.02	-33.82
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300025556105	0	35	-1.0	-36.68	321.29	2.57	-34.11
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556106	0	45	-1.0	-39.27	357.41	0.60	-38.67
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300025556107	0	37	-1.0	-34.38	320.27	5.05	-29.33
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556108	0	42	-1.0	-37.26	322.84	4.24	-33.02
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)CC1	REAL300025556109	0	45	-1.0	-40.33	364.04	0.06	-40.27
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300025556110	0	34	-1.0	-42.42	303.75	1.98	-40.44
CCC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025556111	0	36	-1.0	-40.36	312.39	3.57	-36.79
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CN=CC=N1	REAL300025556112	0	36	-1.0	-42.00	314.07	2.01	-39.99
O=C([N-]CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025556113	0	30	-2.0	-80.21	304.25	-2.97	-83.18
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCN1C(=O)OC(C)(C)C	REAL300025556114	0	51	-1.0	-40.53	389.35	2.95	-37.58
CC(C)(C)OC(=O)NC1CCCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025556115	0	51	-1.0	-47.55	395.05	1.83	-45.72
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556116	0	41	-1.0	-35.96	352.25	0.34	-35.62
CC1=CN(C2CCOCC2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556117	0	38	-1.0	-41.63	317.63	0.35	-41.28
COC1=CC=C(Cl)C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025556118	0	34	-1.0	-39.61	321.73	2.02	-37.59
CCN1C(=O)CO[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=NN1C	REAL300025556119	0	42	-1.0	-39.88	339.11	0.94	-38.94
O=C(CC(O)C(Cl)(Cl)Cl)NCC1=NC(=O)O[N-]1	REAL300025556120	0	24	-1.0	-35.35	260.50	-1.11	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1	REAL300025556121	0	26	-1.0	-33.45	269.98	2.23	-31.22
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556122	0	48	-1.0	-41.96	376.22	0.62	-41.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1	REAL300025556123	0	31	-1.0	-53.32	295.28	1.94	-51.38
CCCCCCCC(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556124	0	52	-1.0	-37.27	430.16	3.84	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300025556125	0	36	-1.0	-40.66	315.11	3.22	-37.44
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025556126	0	30	-1.0	-35.88	275.48	2.56	-33.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300025556127	0	35	-1.0	-37.61	325.53	3.35	-34.26
COC1CN(C(=O)OCC2=CC=CC=C2)C(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556128	0	49	-1.0	-42.49	411.24	3.27	-39.22
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556129	0	43	-1.0	-38.32	341.96	1.94	-36.38
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556130	0	32	-1.0	-41.09	296.51	-3.27	-44.36
CC1=CC=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)N2C(=O)OC(C)(C)C	REAL300025556131	0	48	-1.0	-44.06	389.03	4.63	-39.43
COC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025556132	0	28	-1.0	-38.95	276.31	0.67	-38.28
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556133	0	37	-1.0	-42.21	314.74	2.97	-39.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL300025556134	0	30	-1.0	-44.71	286.40	2.14	-42.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025556135	0	30	-1.0	-37.51	299.23	2.52	-34.99
COC(=O)C=CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556136	0	34	-1.0	-39.11	308.04	2.96	-36.15
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025556137	0	28	-1.0	-34.86	280.47	2.61	-32.25
CC(C)(C)OC(=O)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025556138	0	38	-1.0	-49.39	331.98	0.41	-48.98
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556139	0	42	-1.0	-42.25	348.10	4.14	-38.11
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025556140	0	42	-1.0	-41.42	365.78	5.59	-35.83
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300025556141	0	27	-1.0	-39.18	285.31	2.34	-36.84
O=C(C=CC1=CSC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025556142	0	28	-1.0	-36.57	286.29	2.38	-34.19
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556143	0	41	-1.0	-37.29	355.43	1.80	-35.49
O=C(CC1=CSC(CCC(F)(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL300025556144	0	32	-1.0	-38.85	313.47	1.32	-37.53
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC(Br)=CC=C3C21	REAL300025556145	0	32	-1.0	-37.74	294.01	4.10	-33.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300025556146	0	31	-1.0	-38.37	290.43	3.47	-34.90
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC(C(F)(F)F)=N1	REAL300025556147	0	30	-1.0	-39.18	285.84	0.62	-38.56
O=C(C=CC1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025556148	0	31	-1.0	-39.56	289.20	3.06	-36.50
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556149	0	48	-1.0	-41.23	385.60	3.30	-37.93
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025556150	0	46	-1.0	-42.45	380.44	0.61	-41.84
CCN1C(=O)CO[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025556151	0	42	-1.0	-36.02	347.36	2.95	-33.07
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556152	0	41	-1.0	-41.62	349.47	2.07	-39.55
O=C(CCC1=CC=C(F)C2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL300025556153	0	40	-1.0	-36.05	328.74	4.81	-31.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300025556154	0	44	-1.0	-40.59	371.65	0.37	-40.22
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025556155	0	42	-1.0	-36.95	359.38	-1.32	-38.27
O=C(CC1=COC2=CC(Cl)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025556156	0	30	-1.0	-38.69	290.30	2.61	-36.08
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025556157	0	36	-1.0	-37.22	315.18	4.69	-32.53
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCOC1	REAL300025556158	0	48	-1.0	-41.09	376.85	0.23	-40.86
CCOC(=O)C1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025556159	0	40	-1.0	-41.16	322.58	1.54	-39.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC(Br)=C1	REAL300025556160	0	25	-1.0	-36.68	253.44	-1.18	-37.86
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025556161	0	33	-1.0	-35.45	302.55	3.58	-31.87
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL300025556162	0	32	-1.0	-37.78	289.45	3.99	-33.79
O=C(CCCC1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025556163	0	42	-1.0	-40.79	351.47	3.26	-37.53
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025556164	0	40	-1.0	-37.88	341.66	2.58	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL300025556165	0	38	-1.0	-37.89	313.63	2.43	-35.46
CN1CC(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025556166	0	33	-1.0	-38.08	290.61	-3.06	-41.14
CC1=CC(Br)=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556167	0	27	-1.0	-37.51	267.67	2.39	-35.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O	REAL300025556168	0	34	-1.0	-53.19	314.37	2.33	-50.86
CN(C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1)C1=CC=CC=C1	REAL300025556169	0	35	-1.0	-39.95	325.54	3.38	-36.57
O=C(C=CC1=C(C(F)(F)F)SC=C1)NCC1=NC(=O)O[N-]1	REAL300025556170	0	28	-1.0	-38.44	281.34	2.20	-36.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CCOC2)=N1	REAL300025556171	0	34	-1.0	-36.07	303.16	-0.39	-36.46
CN1C=C(CNC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=N1	REAL300025556172	0	39	-1.0	-41.97	340.15	1.46	-40.51
CN1C=CN=C1CNC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556173	0	39	-1.0	-42.38	336.99	2.00	-40.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCCC2=CC=CC=N2)C=C1	REAL300025556174	0	41	-1.0	-42.04	353.02	2.66	-39.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCCN2C=CN=C2)C=C1	REAL300025556175	0	39	-1.0	-44.77	339.32	3.25	-41.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCCN2CCOCC2)C(Cl)=C1	REAL300025556176	0	45	-1.0	-38.71	380.12	-0.26	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCC2=CSC=C2)C=C1	REAL300025556177	0	36	-1.0	-38.16	327.32	2.60	-35.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2C=C1	REAL300025556178	0	30	-1.0	-36.63	288.45	3.92	-32.71
COC1=CC(I)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556179	0	28	-1.0	-37.62	276.21	2.71	-34.91
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC(F)=CC=C2F)=N1	REAL300025556180	0	34	-1.0	-41.60	315.41	2.49	-39.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=C1	REAL300025556181	0	34	-1.0	-38.56	315.05	2.89	-35.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1C(F)(F)F	REAL300025556182	0	31	-1.0	-34.98	297.16	1.89	-33.09
COC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556183	0	35	-1.0	-40.77	323.16	3.27	-37.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300025556184	0	37	-1.0	-38.13	337.39	3.67	-34.46
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC1(F)F	REAL300025556185	0	38	-1.0	-43.13	329.58	-0.24	-43.37
O=C(C=CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025556186	0	34	-1.0	-36.58	333.41	4.26	-32.32
O=C(C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556187	0	40	-1.0	-52.39	351.95	0.76	-51.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300025556188	0	28	-1.0	-33.98	283.27	1.48	-32.50
CN1C(=O)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC(F)=C1	REAL300025556189	0	38	-1.0	-38.83	329.29	2.48	-36.35
CC(C)C1=CC=C(OC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=N2)C=C1	REAL300025556190	0	43	-1.0	-37.19	368.25	3.34	-33.85
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL300025556191	0	37	-1.0	-48.29	317.63	1.39	-46.90
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025556192	0	34	-1.0	-46.92	315.31	2.28	-44.64
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025556193	0	30	-1.0	-36.91	291.04	1.23	-35.68
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556194	0	32	-1.0	-37.93	293.13	2.53	-35.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN2C=CN=C12	REAL300025556195	0	27	-1.0	-45.24	268.02	2.78	-42.46
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N1	REAL300025556196	0	36	-1.0	-41.33	319.84	0.48	-40.85
CC(C)(C)OC(=O)NC(CO)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556197	0	38	-1.0	-38.01	320.59	-4.54	-42.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC(F)(F)F	REAL300025556198	0	32	-1.0	-39.21	291.63	1.47	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1NCC(F)(F)F	REAL300025556199	0	32	-1.0	-36.37	308.34	1.98	-34.39
O=C(CC1=C(C2=CC=CC=C2)N=C(C2=CC=CS2)S1)NCC1=NC(=O)O[N-]1	REAL300025556200	0	40	-1.0	-40.74	373.40	4.96	-35.78
CCC1=CC2=C(SC=C2CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556201	0	33	-1.0	-37.97	316.73	3.74	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC=C(Br)C=C3C21	REAL300025556202	0	32	-1.0	-37.06	301.32	4.22	-32.84
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025556203	0	30	-1.0	-39.05	305.45	3.06	-35.99
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025556204	0	38	-1.0	-46.57	319.49	-0.04	-46.61
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556205	0	42	-1.0	-40.35	360.47	0.22	-40.13
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556206	0	47	-1.0	-37.62	368.12	1.62	-36.00
O=C(CCC1=CC=C(N2CCCS2(=O)=O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556207	0	42	-1.0	-50.13	363.76	1.04	-49.09
CC1=CC2=C(SC=C2CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556208	0	30	-1.0	-38.19	295.23	2.97	-35.22
CC(C)(C)OC(=O)NC1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556209	0	41	-1.0	-42.70	337.93	-0.25	-42.95
C[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556210	0	40	-1.0	-41.51	331.61	-0.22	-41.73
CC(C)(C)OC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)CC1CC1	REAL300025556211	0	47	-1.0	-39.37	384.08	3.62	-35.75
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025556212	0	48	-1.0	-45.65	379.24	2.81	-42.84
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556213	0	41	-1.0	-36.21	345.12	1.91	-34.30
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1	REAL300025556214	0	40	-1.0	-35.79	336.86	5.14	-30.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1O	REAL300025556215	0	25	-1.0	-36.03	257.73	0.69	-35.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025556215	1	24	-2.0	-90.19	254.17	1.70	-88.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL300025556216	0	26	-1.0	-36.96	271.21	1.10	-35.86
CCN1N=CN=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556217	0	36	-1.0	-38.23	310.99	3.54	-34.69
O=C(CN1C=CC(Br)=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025556218	0	27	-1.0	-44.23	271.25	0.96	-43.27
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CN=C1)C1CCCC1	REAL300025556219	0	42	-1.0	-37.74	336.37	3.54	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL300025556220	0	26	-1.0	-38.55	271.59	1.09	-37.46
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556221	0	37	-1.0	-48.83	330.55	0.04	-48.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C(Br)C=CC=C12	REAL300025556222	0	30	-1.0	-36.17	281.04	3.83	-32.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300025556223	0	34	-1.0	-41.66	307.76	1.42	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1N1CCOCC1	REAL300025556224	0	36	-1.0	-37.00	301.85	-0.71	-37.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025556225	0	24	-2.0	-88.42	253.90	1.29	-87.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1O	REAL300025556225	1	25	-1.0	-35.58	257.47	0.28	-35.30
COC1CCN(CC2=CN(C)N=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556226	0	43	-1.0	-44.92	359.50	-1.50	-46.42
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556226	1	44	0.0	-54.88	362.60	1.03	-53.85
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556226	1	44	0.0	-54.71	362.69	1.05	-53.66
CN1C=C(CN2CCC(O)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556227	0	40	-1.0	-47.05	322.86	-4.69	-51.74
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556227	1	41	0.0	-57.08	339.43	-1.34	-58.42
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556227	1	41	0.0	-58.57	340.76	-1.32	-59.89
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556228	0	48	0.0	-65.61	383.19	0.63	-64.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1Br	REAL300025556229	0	23	-1.0	-33.68	254.25	0.41	-33.27
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C2=NC(C(C)C)=CC(C(F)(F)F)=C12	REAL300025556230	0	44	-1.0	-42.02	381.30	3.68	-38.34
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025556231	0	30	-1.0	-37.12	285.63	0.81	-36.31
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556232	0	35	-1.0	-37.15	309.09	3.04	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(I)=C1Cl	REAL300025556233	0	24	-1.0	-38.46	272.32	2.40	-36.06
CC1NC2=CC=NN2C(C)C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556234	0	42	-1.0	-42.28	334.79	1.13	-41.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300025556235	0	30	-1.0	-40.07	310.68	3.17	-36.90
C=CC(=O)NC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556236	0	33	-1.0	-40.63	298.18	-0.97	-41.60
O=CC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1C1=CC=CC=C1	REAL300025556237	0	36	-1.0	-50.00	323.92	2.49	-47.51
COC1=CC=C(C2=NN(CC(=O)NCC3=NC(=O)O[N-]3)C=C2C=O)C=C1	REAL300025556238	0	40	-1.0	-50.32	353.43	1.79	-48.53
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1Br	REAL300025556239	0	31	-1.0	-38.51	290.82	3.34	-35.17
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)CC1	REAL300025556240	0	50	-1.0	-42.55	404.00	0.45	-42.10
CC1=CC(NC2=CC=C3CCCCC3=C2)=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025556241	0	49	-1.0	-52.86	396.69	4.18	-48.68
CN1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1CO	REAL300025556242	0	34	-1.0	-45.71	300.22	-1.26	-46.97
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556243	0	33	-1.0	-37.66	289.69	-0.74	-38.40
CN1C=C([C@@H]2[C@@H](C(=O)NCC3=NC(=O)O[N-]3)[C@@H](O)C(=O)N2C)C=N1	REAL300025556244	0	39	-1.0	-41.13	338.50	-3.34	-44.47
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556245	0	39	-1.0	-38.34	333.04	1.38	-36.96
CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556246	0	34	-1.0	-54.94	302.00	-0.55	-55.49
O=C(CC1=CC=C(Br)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025556247	0	27	-1.0	-36.48	281.28	2.78	-33.70
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL300025556248	0	32	-1.0	-42.63	289.41	1.47	-41.16
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C([O-])=C2)O1	REAL300025556249	0	33	-2.0	-109.19	309.96	2.74	-106.45
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(O)=C2)O1	REAL300025556249	1	34	-1.0	-46.27	313.52	1.73	-44.54
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL300025556250	0	30	-1.0	-39.97	280.58	1.00	-38.97
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556251	0	31	-1.0	-52.20	307.15	-0.70	-52.90
CS(C)(=O)=NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556252	0	34	-1.0	-54.40	300.28	-0.36	-54.76
CC(C)(C)OC(=O)N1CCC2=CC(C#N)=CC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556253	0	49	-1.0	-41.75	403.25	5.14	-36.61
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(O)CN1C(=O)OCC1=CC=CC=C1	REAL300025556254	0	46	-1.0	-43.61	389.20	0.91	-42.70
O=C(CS(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556255	0	29	-1.0	-45.40	293.00	0.32	-45.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1C1CC1	REAL300025556256	0	31	-1.0	-37.01	286.26	3.73	-33.28
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300025556257	0	27	-1.0	-39.86	277.12	2.96	-36.90
CC1=CC2=C(S1)C(CC(=O)NCC1=NC(=O)O[N-]1)=CS2	REAL300025556258	0	30	-1.0	-38.67	294.53	2.95	-35.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2	REAL300025556259	0	35	-1.0	-40.24	308.18	2.69	-37.55
CCCCNC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556260	0	37	-1.0	-40.79	330.59	1.16	-39.63
CC1(NC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)CCCC1	REAL300025556261	0	41	-1.0	-41.66	342.80	1.61	-40.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL300025556262	0	30	-1.0	-47.49	276.72	0.45	-47.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL300025556263	0	37	-1.0	-39.30	315.26	-1.62	-40.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300025556264	0	32	-1.0	-59.58	295.76	-4.62	-64.20
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300025556265	0	40	-1.0	-37.67	330.08	3.26	-34.41
CC1=CC=NC(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025556266	0	37	-1.0	-39.29	329.00	2.10	-37.19
CC(SC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025556267	0	34	-1.0	-50.34	323.63	-2.90	-53.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NN1C1=NC=CC=C1Cl	REAL300025556268	0	30	-1.0	-39.82	305.59	3.52	-36.30
CC(C)(C)OC(=O)CCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025556269	0	46	-1.0	-37.62	372.25	2.43	-35.19
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCC1=NC(=O)O[N-]1	REAL300025556270	0	42	-1.0	-45.38	339.30	2.05	-43.33
COCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556271	0	44	-1.0	-36.68	357.01	-1.63	-38.31
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025556272	0	47	-1.0	-37.31	371.79	1.93	-35.38
C=CCOC(=O)[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556273	0	47	-1.0	-42.17	400.28	1.56	-40.61
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](F)CN1C(=O)OCC1=CC=CC=C1	REAL300025556274	0	42	-1.0	-44.15	368.39	3.44	-40.71
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556275	0	40	-1.0	-40.08	340.49	-0.42	-40.50
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556276	0	41	-1.0	-41.16	344.91	-1.29	-42.45
CC(C)C[C@@H](C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025556277	0	49	-1.0	-37.81	382.20	3.53	-34.28
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556278	0	52	-1.0	-38.22	383.87	1.78	-36.44
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556279	0	50	-1.0	-38.62	379.50	2.83	-35.79
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC=C1C(F)(F)F	REAL300025556280	0	31	-1.0	-39.31	280.75	0.68	-38.63
CCN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC(C)=C1	REAL300025556281	0	44	-1.0	-40.27	367.48	4.31	-35.96
CN(CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025556282	0	51	-1.0	-48.11	405.39	5.10	-43.01
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556283	0	39	-1.0	-35.87	331.56	4.14	-31.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O	REAL300025556284	0	33	-1.0	-51.85	304.45	1.59	-50.26
O=C(C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025556285	0	38	-1.0	-38.09	346.56	6.17	-31.92
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556286	0	44	-1.0	-43.11	367.07	3.57	-39.54
CC(C)(C)OC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025556287	0	40	-1.0	-39.41	339.58	1.01	-38.40
CC(C)C1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025556288	0	42	-1.0	-42.15	369.59	4.60	-37.55
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025556289	0	36	-1.0	-47.52	335.94	-2.02	-49.54
C[C@H]1CC[C@H](C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)CC1	REAL300025556290	0	42	-1.0	-38.83	356.03	3.24	-35.59
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C=C1	REAL300025556291	0	34	-1.0	-39.85	309.19	1.37	-38.48
CCC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C=C1	REAL300025556292	0	36	-1.0	-38.78	322.64	3.51	-35.27
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025556293	0	36	-1.0	-35.88	315.11	3.64	-32.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2F)=N1	REAL300025556294	0	36	-1.0	-39.65	330.08	3.24	-36.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300025556295	0	36	-1.0	-35.75	331.68	3.28	-32.47
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025556296	0	36	-1.0	-40.52	343.99	3.66	-36.86
COC(=O)C1=NN(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556297	0	36	-1.0	-46.69	325.60	1.20	-45.49
CCCCC1=NC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556298	0	38	-1.0	-38.11	336.48	2.54	-35.57
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(C2CCC2)=N1	REAL300025556299	0	36	-1.0	-38.40	319.88	2.37	-36.03
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(C2=NN(C)C=C2)=N1	REAL300025556300	0	36	-1.0	-44.92	335.12	0.99	-43.93
CC(C)(CC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556301	0	36	-1.0	-35.14	318.04	4.00	-31.14
NC1=CC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556302	0	29	-1.0	-34.33	270.13	0.27	-34.06
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=C1	REAL300025556303	0	32	-1.0	-43.26	292.09	-3.20	-46.46
NC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556304	0	26	-1.0	-34.43	252.76	-0.11	-34.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=C2)C=C1O	REAL300025556305	0	33	-1.0	-38.42	290.66	2.37	-36.05
NC1=CC(I)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556306	0	26	-1.0	-34.34	259.24	0.37	-33.97
CCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=C1	REAL300025556307	0	35	-1.0	-42.25	313.56	-2.30	-44.55
COC(=O)CCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556308	0	36	-1.0	-40.47	310.92	3.25	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300025556309	0	35	-1.0	-43.99	304.43	0.57	-43.42
CCC(SC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025556310	0	37	-1.0	-45.38	341.73	-1.95	-47.33
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300025556311	0	34	-1.0	-42.83	278.14	-1.69	-44.52
O=C(CC1=CC=CC=C1N1CCCC1=O)NCC1=NC(=O)O[N-]1	REAL300025556312	0	38	-1.0	-41.03	326.42	3.27	-37.76
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025556313	0	41	-1.0	-42.73	351.70	2.93	-39.80
C=CCCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025556314	0	40	-1.0	-36.11	339.24	5.02	-31.09
COC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025556315	0	38	-1.0	-52.25	333.12	1.27	-50.98
CC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025556316	0	37	-1.0	-39.26	329.16	2.07	-37.19
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(=O)[N-]C=N1	REAL300025556317	0	22	-2.0	-79.96	235.63	-2.63	-82.59
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(=O)NC=N1	REAL300025556317	1	23	-1.0	-43.87	239.03	-1.48	-45.35
C[NH+](C)CCSC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556318	0	39	0.0	-69.38	350.77	2.09	-67.29
CCSC1=NC(C)=C(C(CC)C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556319	0	39	-1.0	-37.22	351.54	2.86	-34.36
CN(C)C1(C(=O)NCC2=NC(=O)O[N-]2)COC2=CC=CC=C2C1	REAL300025556320	0	40	-1.0	-39.79	316.77	0.57	-39.22
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL300025556321	0	35	-1.0	-38.62	311.32	2.62	-36.00
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1NCC1CCC1	REAL300025556322	0	38	-1.0	-41.19	317.93	1.40	-39.79
COCCNC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556323	0	35	-1.0	-43.26	321.19	-1.30	-44.56
CC1=CC(C(F)(F)F)=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556324	0	28	-1.0	-42.14	276.29	0.21	-41.93
CCCCCC=CCC=CCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556325	0	61	-1.0	-35.91	490.38	10.14	-25.77
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300025556326	0	34	-1.0	-38.06	312.40	4.07	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2CCCCC2)=N1	REAL300025556327	0	38	-1.0	-38.96	329.38	1.54	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300025556328	0	28	-1.0	-37.77	276.29	1.20	-36.57
CC1(C)[C@@H](C=C(Cl)C2=CC=C(Cl)C=C2)[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556329	0	41	-1.0	-37.12	371.17	6.47	-30.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Br)=C1	REAL300025556330	0	28	-1.0	-37.75	280.67	1.31	-36.44
CS(=O)(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556331	0	36	-1.0	-44.31	306.11	-1.37	-45.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1	REAL300025556332	0	36	-1.0	-40.22	331.65	3.77	-36.45
O=C(CN1N=C(C(F)F)C=C1C1CC1)NCC1=NC(=O)O[N-]1	REAL300025556333	0	34	-1.0	-40.12	312.84	1.93	-38.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300025556334	0	31	-1.0	-40.86	297.66	3.80	-37.06
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC(Br)=C2)CC1	REAL300025556335	0	31	-1.0	-36.60	309.91	3.88	-32.72
COC1=CC(OC)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025556336	0	45	-1.0	-41.61	359.43	2.93	-38.68
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCOCC1	REAL300025556337	0	42	-1.0	-34.93	319.10	0.20	-34.73
CC(C)(C)OC(=O)NC1=NC=C(CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556338	0	43	-1.0	-42.40	376.00	1.55	-40.85
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL300025556339	0	45	-1.0	-38.52	370.66	1.01	-37.51
CC(C)(C)OC(=O)NC1CC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025556340	0	47	-1.0	-37.90	373.31	0.88	-37.02
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556341	0	47	-1.0	-39.39	368.13	1.61	-37.78
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(F)F	REAL300025556342	0	41	-1.0	-42.78	349.98	0.02	-42.76
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025556343	0	48	-1.0	-39.71	375.25	2.75	-36.96
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556344	0	44	-1.0	-40.14	374.67	-0.88	-41.02
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300025556345	0	49	-1.0	-44.11	390.17	0.21	-43.90
O=C(NCC1=NC(=O)O[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL300025556346	0	31	-1.0	-39.37	277.88	-1.77	-41.14
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025556347	0	36	-1.0	-39.79	314.28	1.46	-38.33
O=C(C=CC1=CC=C(SC(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556348	0	32	-1.0	-39.03	305.24	3.50	-35.53
O=C(C=CC1=CC=C(I)O1)NCC1=NC(=O)O[N-]1	REAL300025556349	0	25	-1.0	-37.46	266.52	1.62	-35.84
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556350	0	48	-1.0	-40.49	390.92	3.04	-37.45
CC(C)(C)OC(=O)C=CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025556351	0	40	-1.0	-37.86	347.88	3.19	-34.67
COC1=CC=C(OC)C(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556352	0	36	-1.0	-41.23	313.46	0.89	-40.34
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025556353	0	40	-1.0	-39.33	351.45	3.34	-35.99
O=C(CC1=CSC(C2CCCC2)=N1)NCC1=NC(=O)O[N-]1	REAL300025556354	0	36	-1.0	-39.12	316.23	1.96	-37.16
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300025556355	0	36	-1.0	-37.33	326.40	3.26	-34.07
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300025556356	0	31	-1.0	-36.30	292.07	0.80	-35.50
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300025556357	0	39	-1.0	-41.78	343.68	2.77	-39.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(I)C=C1Cl	REAL300025556358	0	27	-1.0	-33.70	278.28	3.22	-30.48
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025556359	0	27	-1.0	-33.67	268.18	1.95	-31.72
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025556359	1	26	-2.0	-95.87	266.84	0.15	-95.72
CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025556360	0	27	-1.0	-37.18	265.43	0.12	-37.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1CC1=CC=CC=C1	REAL300025556361	0	38	-1.0	-41.85	326.94	4.98	-36.87
C=CCNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556362	0	36	-1.0	-42.86	348.61	-1.53	-44.39
CC1=NN(C2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556363	0	38	-1.0	-37.98	316.82	0.25	-37.73
COC1=CC=C(CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025556364	0	44	-1.0	-40.57	368.89	3.30	-37.27
COC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025556365	0	38	-1.0	-37.07	314.78	2.70	-34.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC=C(I)C2=C1	REAL300025556366	0	28	-1.0	-40.25	280.69	2.20	-38.05
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025556367	0	30	-1.0	-36.43	303.79	1.09	-35.34
CC1=CC(C)=NC(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=N1	REAL300025556368	0	43	-1.0	-40.55	352.81	3.05	-37.50
O=C(CCN1CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025556369	0	35	-1.0	-45.02	310.59	1.91	-43.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL300025556370	0	29	-1.0	-39.01	268.54	0.82	-38.19
O=C(NCC1=NC(=O)O[N-]1)[C@@H](CC1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025556371	0	45	-1.0	-47.25	382.96	7.05	-40.20
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CN=CC=C12	REAL300025556372	0	33	-1.0	-38.99	286.02	0.87	-38.12
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556373	0	31	-1.0	-38.20	299.32	1.73	-36.47
O=C(CC1CCC2(CCOCC2)CO1)NCC1=NC(=O)O[N-]1	REAL300025556374	0	42	-1.0	-38.50	322.86	1.02	-37.48
CC1=CC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025556375	0	36	-1.0	-37.10	316.13	3.83	-33.27
COC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025556376	0	41	-1.0	-41.42	347.40	2.51	-38.91
CCOC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025556377	0	47	-1.0	-41.30	391.10	4.36	-36.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300025556378	0	26	-1.0	-34.82	263.65	0.73	-34.09
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CN=C1Br	REAL300025556379	0	23	-1.0	-39.06	255.87	-0.02	-39.08
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1SC2=CC=CC=C2C1=O	REAL300025556380	0	40	-1.0	-44.51	359.31	4.79	-39.72
CC(C)(C)OC(=O)N1CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C1	REAL300025556381	0	44	-1.0	-45.58	374.85	-0.34	-45.92
CC(C)(C)OC(=O)N1CC(N2N=NC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556382	0	44	-1.0	-37.99	371.18	-0.11	-38.10
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025556383	0	36	-1.0	-42.57	318.39	4.19	-38.38
O=C(CCCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556384	0	33	-1.0	-37.31	309.94	3.94	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300025556385	0	31	-1.0	-42.12	295.32	2.33	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCC2=C1Br	REAL300025556386	0	28	-1.0	-44.06	269.78	0.27	-43.79
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025556387	0	45	-1.0	-43.36	372.23	2.14	-41.22
O=C(CC1=CN=C2NC=CC(Cl)=C12)NCC1=NC(=O)O[N-]1	REAL300025556388	0	30	-1.0	-50.88	284.82	1.40	-49.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN(C2CC2)C1=O	REAL300025556389	0	31	-1.0	-48.62	292.60	2.14	-46.48
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300025556390	0	27	-1.0	-41.55	275.59	2.32	-39.23
CC1=C2OC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1Cl	REAL300025556391	0	33	-1.0	-39.02	308.99	3.18	-35.84
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556392	0	34	-1.0	-36.44	304.75	2.48	-33.96
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025556393	0	45	0.0	-60.43	370.85	3.31	-57.12
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300025556394	0	41	-1.0	-36.53	328.93	1.00	-35.53
O=C(NCC1=NC(=O)O[N-]1)[C@H](CC1=CNC=N1)NC(=O)C1CCCCC1	REAL300025556395	0	47	-1.0	-42.39	377.54	2.11	-40.28
O=C(NCC1=NC(=O)O[N-]1)[C@H](CC1=CN=CN1)NC(=O)C1CCCCC1	REAL300025556395	1	47	-1.0	-39.01	376.80	1.42	-37.59
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300025556396	0	23	-2.0	-89.16	244.95	-0.51	-89.67
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1O	REAL300025556396	1	24	-1.0	-38.46	248.51	-1.52	-39.98
O=C(CC1=NC(C2CCCC2)=CS1)NCC1=NC(=O)O[N-]1	REAL300025556397	0	36	-1.0	-38.94	314.82	1.96	-36.98
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556398	0	33	-1.0	-38.15	296.01	0.58	-37.57
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556399	0	33	-1.0	-36.74	296.16	0.60	-36.14
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556400	0	34	-1.0	-44.55	308.86	-2.90	-47.45
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556401	0	50	-1.0	-37.68	385.49	2.62	-35.06
O=C(C=CC1=CC(Br)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025556402	0	28	-1.0	-37.24	282.47	2.90	-34.34
COC1=CC2=CC=C(C=CC(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025556403	0	38	-1.0	-39.88	331.22	3.80	-36.08
O=C(CC1=NC(C2CCCCC2)=CS1)NCC1=NC(=O)O[N-]1	REAL300025556404	0	39	-1.0	-38.81	333.36	2.58	-36.23
O=C(CC1=NN=C(C2CCOCC2)N1)NCC1=NC(=O)O[N-]1	REAL300025556405	0	37	-1.0	-45.81	314.07	-0.32	-46.13
O=C(CC1=NNC(C2CCOCC2)=N1)NCC1=NC(=O)O[N-]1	REAL300025556405	1	37	-1.0	-41.90	315.31	-0.91	-42.81
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025556406	0	44	-1.0	-38.98	378.42	5.82	-33.16
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300025556407	0	36	-1.0	-43.09	308.37	3.54	-39.55
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025556408	0	24	-1.0	-38.68	245.01	-0.70	-39.38
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=C(Br)C=C2C(=O)O1	REAL300025556409	0	31	-1.0	-39.99	301.52	3.38	-36.61
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025556410	0	35	-1.0	-48.98	303.69	2.75	-46.23
CC1=NC(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N1	REAL300025556411	0	32	-1.0	-47.43	288.43	-0.71	-48.14
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(CC(F)(F)F)=N1	REAL300025556412	0	32	-1.0	-38.70	312.49	1.36	-37.34
C[C@H](NC(=O)CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025556413	0	40	-1.0	-39.55	344.27	1.75	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL300025556414	0	26	-1.0	-35.20	271.25	1.16	-34.04
NC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025556415	0	28	-1.0	-35.14	274.29	0.36	-34.78
CC1=CC(C)=NC(NC2=CC=C(Cl)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025556416	0	40	-1.0	-40.98	358.85	5.30	-35.68
CC1=CC=C(NC2=NC=CC(C(F)(F)F)=N2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556417	0	40	-1.0	-41.56	359.02	5.28	-36.28
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025556418	0	30	-1.0	-40.23	286.36	2.22	-38.01
C=CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025556419	0	40	-1.0	-39.59	349.04	2.96	-36.63
CCCCC1=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025556420	0	43	-1.0	-38.70	372.19	5.88	-32.82
CC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025556421	0	48	-1.0	-40.39	375.83	5.90	-34.49
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC(Br)=C1	REAL300025556422	0	28	-1.0	-37.06	274.66	0.42	-36.64
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556423	0	38	-1.0	-49.35	360.55	-5.04	-54.39
O=C(CC1=CC=CC=C1F)N1CC(O)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556424	0	42	-1.0	-50.41	364.99	-0.05	-50.46
CC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025556425	0	31	-1.0	-37.83	295.33	3.41	-34.42
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556426	0	41	-1.0	-43.20	338.52	-0.08	-43.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1[N+](=O)[O-]	REAL300025556427	0	35	-1.0	-44.07	310.91	2.84	-41.23
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025556428	0	41	-1.0	-44.65	347.36	-0.23	-44.88
CC(C)(C)OC(=O)N1CC(C#N)C2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025556429	0	49	-1.0	-45.80	401.42	2.97	-42.83
CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556430	0	46	-1.0	-45.43	386.98	-3.15	-48.58
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556431	0	44	-1.0	-35.23	355.46	0.82	-34.41
O=C(CC1CCC2=C(C=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025556432	0	33	-1.0	-46.00	296.12	3.63	-42.37
CC(C)(C)OC(=O)NCCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556433	0	47	-1.0	-46.56	396.07	0.21	-46.35
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)NCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025556434	0	45	-1.0	-40.91	360.74	2.68	-38.23
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556435	0	53	-1.0	-42.18	423.37	-0.74	-42.92
CC(C)(C)OC(=O)NC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556436	0	44	-1.0	-41.36	359.59	0.57	-40.79
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025556437	0	44	-1.0	-39.12	375.28	5.94	-33.18
CC(C)(C)OC(=O)NC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556438	0	37	-1.0	-39.63	332.29	0.00	-39.63
CN(CCCCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025556439	0	46	-1.0	-41.02	375.16	2.67	-38.35
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025556440	0	50	-1.0	-41.52	396.59	2.90	-38.62
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556441	0	44	-1.0	-36.38	368.07	0.53	-35.85
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556442	0	42	-1.0	-42.74	336.52	0.12	-42.62
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)(F)F)CC1	REAL300025556443	0	47	-1.0	-36.75	375.49	2.73	-34.02
CCOC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2(Cl)Cl)C=C1	REAL300025556444	0	38	-1.0	-37.61	353.73	4.18	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300025556445	0	37	-1.0	-42.43	317.05	1.90	-40.53
CC1=CC=C(F)C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556446	0	27	-1.0	-39.25	270.11	1.99	-37.26
CC(C)C1=NC=C(OCC2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556447	0	45	-1.0	-42.57	386.15	4.78	-37.79
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025556448	0	43	-1.0	-40.03	339.60	2.36	-37.67
CN1C(=O)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=C(F)C=C1	REAL300025556449	0	38	-1.0	-40.30	330.95	2.57	-37.73
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC1S(C)(=O)=O	REAL300025556450	0	47	-1.0	-54.39	404.12	-2.65	-57.04
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556451	0	41	-1.0	-44.17	335.10	1.38	-42.79
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025556452	0	37	-1.0	-40.08	321.37	3.24	-36.84
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556453	0	44	-1.0	-41.47	362.66	1.85	-39.62
CC(C)(C)OC(=O)N1C(C(=O)NCC2=NC(=O)O[N-]2)CCC2CCCCC21	REAL300025556454	0	54	-1.0	-37.71	401.19	4.35	-33.36
CC(C)(C)OC(=O)N1CCC2(CCCCC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556455	0	57	-1.0	-39.61	401.86	4.13	-35.48
CC1=CC(F)=C2CC(C(=O)NCC3=NC(=O)O[N-]3)N(C(=O)OC(C)(C)C)C2=C1	REAL300025556456	0	48	-1.0	-43.22	396.22	4.75	-38.47
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025556457	0	42	-1.0	-59.29	354.67	3.42	-55.87
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025556458	0	35	-1.0	-41.73	310.58	3.06	-38.67
CC1=CC=C(C)C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)C2)=C1	REAL300025556459	0	38	-1.0	-40.91	325.76	3.98	-36.93
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025556460	0	35	-1.0	-46.32	329.23	2.57	-43.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2N=CC(Br)=C12	REAL300025556461	0	27	-1.0	-42.81	271.44	1.20	-41.61
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556462	0	38	-1.0	-40.40	307.69	2.58	-37.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)S1	REAL300025556463	0	31	-1.0	-39.75	319.17	2.46	-37.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)S1	REAL300025556464	0	31	-1.0	-39.79	314.54	2.35	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC(I)=C1F	REAL300025556465	0	24	-1.0	-38.46	273.79	2.44	-36.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC(C(F)(F)F)=CC=C1Cl	REAL300025556466	0	33	-1.0	-37.71	327.71	2.38	-35.33
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1Br	REAL300025556467	0	30	-1.0	-38.56	293.06	1.50	-37.06
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC(Cl)=CC=C1Cl	REAL300025556468	0	30	-1.0	-37.18	305.73	1.90	-35.28
O=C(COCCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556469	0	34	-1.0	-37.95	323.02	3.52	-34.43
O=C(CCCC1=CC=C(C2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556470	0	40	-1.0	-37.66	337.87	5.42	-32.24
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL300025556471	0	33	-1.0	-40.30	303.16	2.94	-37.36
COC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025556472	0	33	-1.0	-41.15	291.86	0.74	-40.41
CC(C)C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025556473	0	44	-1.0	-47.90	363.07	4.49	-43.41
CC1=C(C2=CC=CC=C2)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025556474	0	37	-1.0	-42.40	330.75	3.05	-39.35
CC1=CC(Br)=C(CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556475	0	27	-1.0	-36.72	277.31	2.19	-34.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=CC=CC=C23)=NN1	REAL300025556476	0	35	-1.0	-41.53	316.53	1.09	-40.44
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025556477	0	31	-1.0	-37.48	294.15	2.81	-34.67
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556478	0	39	-1.0	-41.15	347.53	-4.50	-45.65
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556479	0	39	-1.0	-42.23	351.11	-4.47	-46.70
O=C(NCC1=NC(=O)O[N-]1)C(CO)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025556480	0	36	-1.0	-40.60	345.61	-4.70	-45.30
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025556481	0	43	-1.0	-35.63	337.86	1.55	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NCC2=CN=CS2)=C1	REAL300025556482	0	35	-1.0	-39.83	322.27	0.89	-38.94
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025556483	0	30	-1.0	-34.78	280.07	2.92	-31.86
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=NC=CC=C1Br	REAL300025556484	0	26	-1.0	-40.61	265.64	1.19	-39.42
O=C(NCC1=NC(=O)O[N-]1)C(=O)NC1=CC=CC(C(F)(F)F)=C1	REAL300025556485	0	31	-1.0	-40.95	297.63	0.33	-40.62
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=NO1	REAL300025556486	0	33	-1.0	-41.01	307.21	3.08	-37.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Br	REAL300025556487	0	33	-1.0	-45.47	314.12	1.99	-43.48
O=C(NCC1=NC(=O)O[N-]1)[C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025556488	0	42	-1.0	-50.40	357.47	5.81	-44.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(CC(F)(F)F)C1=O	REAL300025556489	0	30	-1.0	-56.18	281.93	1.40	-54.78
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025556490	0	28	-1.0	-36.52	290.69	1.67	-34.85
O=C(CCN1SC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025556491	0	33	-1.0	-43.69	309.76	2.14	-41.55
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025556492	0	41	-1.0	-42.89	355.24	3.31	-39.58
O=C(NCC1=NC(=O)O[N-]1)C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300025556493	0	31	-1.0	-35.41	302.77	3.33	-32.08
NS(=O)(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL300025556494	0	26	-1.0	-47.21	261.10	-3.77	-50.98
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025556495	0	32	-1.0	-38.49	307.95	3.57	-34.92
CC1=CC=CN=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556496	0	37	-1.0	-39.75	327.68	2.12	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(F)=CC=C2NC1=O	REAL300025556497	0	32	-1.0	-40.29	287.80	0.08	-40.21
COC1=CC=C(CCNC(=O)NC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556498	0	46	-1.0	-41.14	391.22	-0.14	-41.28
CCC(C)C(NC(=O)NC1=CC(C)=CC=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556499	0	51	-1.0	-37.33	399.68	3.07	-34.26
CS(C)(=O)=NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556500	0	37	-1.0	-59.59	344.96	-2.25	-61.84
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556501	0	36	-1.0	-47.77	315.26	0.55	-47.22
CN1CCN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)CC1	REAL300025556502	0	41	-1.0	-37.53	348.18	-0.81	-38.34
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)CC1	REAL300025556502	1	42	0.0	-61.48	351.12	1.56	-59.92
COC1=NSC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025556503	0	24	-1.0	-33.95	259.20	-2.44	-36.39
CC(C)(CO)C1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025556504	0	40	-1.0	-40.96	338.36	-0.88	-41.84
CCN(CC(C)C)C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556505	0	43	-1.0	-40.34	366.76	3.59	-36.75
CC1=CC=CC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025556506	0	37	-1.0	-38.56	316.70	5.13	-33.43
CC(C)N1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556507	0	30	-1.0	-41.31	286.01	0.80	-40.51
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025556508	0	24	-1.0	-37.99	250.88	-0.29	-38.28
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556509	0	47	-1.0	-40.41	375.00	1.15	-39.26
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556510	0	46	-1.0	-35.75	361.52	1.42	-34.33
CC1=CC=CC=C1C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556511	0	35	-1.0	-40.22	304.59	3.25	-36.97
O=C(CC1=CC(Br)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025556512	0	27	-1.0	-36.36	281.28	2.78	-33.58
CC(C)[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025556513	0	41	-1.0	-47.89	339.64	5.09	-42.80
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300025556514	0	28	-1.0	-32.53	283.46	0.69	-31.84
CC1=CSC(CNC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025556515	0	38	-1.0	-40.13	344.10	1.37	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300025556516	0	35	-1.0	-35.16	328.52	0.88	-34.28
O=C(NCC1=NC(=O)O[N-]1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300025556517	0	44	-1.0	-40.44	375.65	4.57	-35.87
CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556518	0	43	-1.0	-44.44	375.90	-0.62	-45.06
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556519	0	45	-1.0	-40.65	354.98	2.67	-37.98
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556520	0	44	-1.0	-49.05	368.91	-1.17	-50.22
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556521	0	49	-1.0	-40.95	393.60	4.46	-36.49
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C21	REAL300025556522	0	44	-1.0	-38.55	363.63	3.31	-35.24
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025556523	0	45	-1.0	-38.23	365.82	3.84	-34.39
CC(C)(C)OC(=O)N1C2CCC1C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025556524	0	45	-1.0	-46.03	359.95	2.49	-43.54
CC(C)(C)OC(=O)NC1CCCN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025556525	0	48	-1.0	-48.33	390.66	0.14	-48.19
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCC1=NC(=O)O[N-]1	REAL300025556526	0	45	-1.0	-43.93	354.06	2.95	-40.98
CCOC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556527	0	33	-1.0	-40.51	298.88	0.73	-39.78
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556528	0	41	-1.0	-37.65	348.11	-1.12	-38.77
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556529	0	52	-1.0	-39.26	394.95	2.13	-37.13
CC(C)(C)OC(=O)N1CCOC2=CC=CC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556530	0	49	-1.0	-40.02	390.01	3.17	-36.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL300025556531	0	42	-1.0	-35.74	331.19	3.27	-32.47
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025556532	0	29	-1.0	-40.88	286.42	2.78	-38.10
O=CC1=CC=C(C2=CC=C(O)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025556533	0	34	-1.0	-56.51	313.63	1.75	-54.76
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025556533	1	33	-2.0	-108.57	310.06	2.75	-105.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1Br	REAL300025556534	0	23	-1.0	-34.81	247.77	0.27	-34.54
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)N2C=C(Br)C=CC2=N1	REAL300025556535	0	27	-1.0	-40.44	278.63	2.10	-38.34
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300025556536	0	26	-1.0	-36.06	269.76	0.82	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C(Br)=C1	REAL300025556537	0	28	-1.0	-40.33	277.55	0.23	-40.10
CC1=C(Br)C=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556538	0	27	-1.0	-37.57	268.69	2.00	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL300025556539	0	29	-1.0	-34.94	274.01	1.93	-33.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL300025556540	0	33	-1.0	-43.39	289.42	-1.72	-45.11
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025556541	0	32	-1.0	-44.15	289.41	1.47	-42.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NS1	REAL300025556542	0	30	-1.0	-35.27	307.26	2.89	-32.38
COC1=CC=CC(CC(C)CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556543	0	40	-1.0	-39.24	330.79	3.01	-36.23
O=C(CC1CCCC(C(F)(F)F)O1)NCC1=NC(=O)O[N-]1	REAL300025556544	0	34	-1.0	-39.84	299.04	1.81	-38.03
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300025556545	0	40	-1.0	-39.31	329.15	0.34	-38.97
CC(C)(C1=NN=C(C(=O)NCC2=NC(=O)O[N-]2)O1)S(C)(=O)=O	REAL300025556546	0	34	-1.0	-53.67	313.65	-7.28	-60.95
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300025556547	0	40	-1.0	-40.14	332.65	3.01	-37.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(=O)O1	REAL300025556548	0	29	-1.0	-42.34	292.71	2.98	-39.36
CC1=C(C)C2=NC(C3=CN(C)N=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025556549	0	45	-1.0	-42.35	377.05	4.21	-38.14
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=N1	REAL300025556550	0	22	-1.0	-38.02	235.32	-0.88	-38.90
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556551	0	46	0.0	-61.27	375.38	4.22	-57.05
COC(=O)C1=CC=CN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025556552	0	33	-1.0	-50.83	302.86	1.85	-48.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1=O	REAL300025556553	0	34	-1.0	-47.00	297.61	0.93	-46.07
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1CC1=CC=CC=C1	REAL300025556554	0	44	-1.0	-43.72	373.98	6.82	-36.90
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556555	0	28	-2.0	-81.93	295.64	-0.59	-82.52
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556555	1	29	-1.0	-38.30	299.20	-1.34	-39.64
O=CC1=CC=CN1C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556556	0	37	-1.0	-40.24	331.82	4.18	-36.06
C=CC1(CC(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025556557	0	45	-1.0	-40.10	364.86	1.95	-38.15
NS(=O)(=O)C1=C(Cl)OC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556558	0	26	-1.0	-39.74	277.98	-5.46	-45.20
CN1N=C(C(F)(F)F)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025556559	0	32	-1.0	-35.88	305.12	1.11	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)C(F)(F)F	REAL300025556560	0	29	-1.0	-51.31	284.09	1.56	-49.75
CC1=C(C)C2=C(CCC(C)(C(=O)NCC3=NC(=O)O[N-]3)O2)C(C)=C1O	REAL300025556561	0	45	-1.0	-40.45	356.88	1.38	-39.07
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556562	0	37	-1.0	-43.96	339.13	2.28	-41.68
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025556563	0	35	-1.0	-38.72	340.83	5.53	-33.19
NC1=CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1C(F)(F)F	REAL300025556564	0	39	-1.0	-43.56	361.00	1.56	-42.00
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(CS(C)(=O)=O)=N1	REAL300025556565	0	35	-1.0	-50.01	335.62	-2.26	-52.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025556566	0	24	-2.0	-85.65	259.14	1.64	-84.01
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2NC1=O	REAL300025556567	0	33	-1.0	-40.60	294.32	0.53	-40.07
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025556568	0	24	-1.0	-34.34	249.11	-0.83	-35.17
CC1=NS(=O)(=O)N(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556569	0	30	-1.0	-40.34	274.23	-3.30	-43.64
CN1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2S1(=O)=O	REAL300025556570	0	33	-1.0	-50.44	300.39	-3.74	-54.18
CC(C)(C)OC(=O)NC1CCSC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025556571	0	52	-1.0	-38.61	412.50	2.42	-36.19
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC(O)C1	REAL300025556572	0	45	-1.0	-43.43	367.85	-2.93	-46.36
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300025556573	0	40	-1.0	-37.00	332.84	3.36	-33.64
CCOC(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556574	0	35	-1.0	-47.40	314.74	0.28	-47.12
CN1C=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)C=N1	REAL300025556575	0	38	-1.0	-41.54	319.24	0.36	-41.18
CCOC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025556576	0	35	-1.0	-40.48	322.57	0.71	-39.77
COC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025556577	0	32	-1.0	-40.82	300.71	-0.22	-41.04
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025556578	0	31	-1.0	-39.50	290.85	0.58	-38.92
O=C(CC1CC(=O)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025556579	0	35	-1.0	-41.02	299.52	0.70	-40.32
COC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025556580	0	32	-1.0	-40.24	293.94	-0.59	-40.83
COC(=O)C1CCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025556581	0	37	-1.0	-43.88	318.62	1.32	-42.56
CC1=C(Br)OC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556582	0	24	-1.0	-36.33	247.85	0.42	-35.91
NC(=O)CCC(NC(=O)CCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556583	0	50	-1.0	-43.97	418.52	0.09	-43.88
COC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025556584	0	35	-1.0	-41.38	304.07	-0.03	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL300025556585	0	38	-1.0	-38.99	332.53	2.42	-36.57
CC1=C(Br)C=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556586	0	27	-1.0	-33.85	261.44	2.32	-31.53
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556587	0	35	-1.0	-37.38	322.41	0.72	-36.66
O=C(CC1C(=O)NC2=C(Br)C=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025556588	0	32	-1.0	-43.26	303.95	2.02	-41.24
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=C2C=CC=CN12	REAL300025556589	0	27	-1.0	-44.60	270.17	2.06	-42.54
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C2C=C1	REAL300025556590	0	39	-1.0	-39.30	348.79	4.81	-34.49
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)NCC1=NC(=O)O[N-]1	REAL300025556591	0	35	-1.0	-41.88	318.62	-0.07	-41.95
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556592	0	53	0.0	-61.61	416.25	7.54	-54.07
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556592	1	53	0.0	-60.53	415.98	7.70	-52.83
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300025556593	0	34	-1.0	-41.81	297.92	1.43	-40.38
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N1	REAL300025556594	0	36	-1.0	-46.06	312.11	0.37	-45.69
CCC1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025556595	0	40	-1.0	-50.03	325.72	1.94	-48.09
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556596	0	33	-1.0	-54.84	305.87	-3.36	-58.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)NC1=O	REAL300025556597	0	24	-1.0	-46.98	244.62	-1.25	-48.23
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)S1	REAL300025556598	0	33	-1.0	-39.31	311.89	3.52	-35.79
CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C(Br)C=C1	REAL300025556599	0	31	-1.0	-36.24	297.08	2.23	-34.01
CC(C)(C)C1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025556600	0	40	-1.0	-36.07	330.81	3.31	-32.76
CC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1Br	REAL300025556601	0	31	-1.0	-36.69	293.93	2.15	-34.54
O=C(CC1=CNC2=CN=C(Cl)C=C12)NCC1=NC(=O)O[N-]1	REAL300025556602	0	30	-1.0	-42.81	289.24	0.45	-42.36
CC(C)(C)OC(=O)NCCCSCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556603	0	47	-1.0	-39.56	399.95	1.44	-38.12
CSCC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556604	0	47	-1.0	-40.41	390.17	1.55	-38.86
CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556605	0	56	-1.0	-40.97	433.65	4.93	-36.04
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556606	0	47	-1.0	-38.05	372.55	1.10	-36.95
C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025556607	0	47	-1.0	-38.07	364.12	2.40	-35.67
CC(C)(C)OC(=O)NCC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025556608	0	47	-1.0	-46.64	399.42	1.95	-44.69
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025556609	0	45	-1.0	-39.26	365.60	3.89	-35.37
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556610	0	47	-1.0	-42.63	375.89	2.39	-40.24
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556611	0	47	-1.0	-39.79	366.56	2.21	-37.58
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025556612	0	56	-1.0	-39.13	412.47	3.38	-35.75
CC(C)(C)C1=CC=C(CSCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556613	0	43	-1.0	-38.02	366.38	5.42	-32.60
CC(NC(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025556614	0	51	-1.0	-41.05	387.42	-0.16	-41.21
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025556615	0	53	-1.0	-36.68	398.44	2.82	-33.86
CC(C)(C)OC(=O)N1CCC2CCCCC2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556616	0	54	-1.0	-39.52	401.40	4.87	-34.65
CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025556617	0	45	-1.0	-46.59	353.06	2.98	-43.61
COC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1C1=CC=CC=C1	REAL300025556618	0	37	-1.0	-37.17	315.50	3.68	-33.49
CC1=CC(I)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556619	0	27	-1.0	-36.24	270.31	2.80	-33.44
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556620	0	30	-1.0	-42.11	284.99	2.72	-39.39
CN1CC(C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)CC1=O	REAL300025556621	0	45	-1.0	-42.67	361.39	0.52	-42.15
CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)C1	REAL300025556622	0	51	-1.0	-41.52	413.72	3.14	-38.38
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NN2C)C=C1OC	REAL300025556623	0	42	-1.0	-44.71	358.39	1.25	-43.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556624	0	43	0.0	-58.51	346.02	4.44	-54.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556624	1	43	0.0	-57.07	342.95	4.52	-52.55
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C1	REAL300025556625	0	47	-1.0	-42.86	384.48	2.49	-40.37
CC(C)(C)OC(=O)NCCN1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025556626	0	51	-1.0	-51.55	408.95	0.37	-51.18
CCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556627	0	58	-1.0	-41.13	453.16	4.80	-36.33
CC1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2CCN1C(=O)OC(C)(C)C	REAL300025556628	0	49	-1.0	-38.44	389.66	3.69	-34.75
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025556629	0	45	-1.0	-46.00	367.87	3.86	-42.14
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025556630	0	48	-1.0	-41.70	389.57	4.50	-37.20
COCCCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025556631	0	41	-1.0	-39.11	342.21	1.91	-37.20
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556632	0	47	-1.0	-35.57	379.15	1.39	-34.18
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556633	0	46	-1.0	-38.14	360.32	0.74	-37.40
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556634	0	41	-1.0	-39.45	343.59	-0.25	-39.70
CN1N=CC(NC(=O)OC(C)(C)C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556635	0	47	-1.0	-40.30	388.82	0.31	-39.99
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025556636	0	34	-1.0	-39.49	304.91	2.80	-36.69
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C2C=C1	REAL300025556637	0	39	-1.0	-40.57	340.97	3.87	-36.70
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556638	0	49	-1.0	-35.92	381.40	1.94	-33.98
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556639	0	47	-1.0	-47.91	384.53	0.20	-47.71
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025556640	0	49	-1.0	-40.19	377.54	1.58	-38.61
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025556641	0	50	-1.0	-41.50	396.33	2.88	-38.62
CCOC1=CC2=C(C=C1C=CC(=O)NCC1=NC(=O)O[N-]1)OC(C)C2	REAL300025556642	0	43	-1.0	-41.94	362.73	3.11	-38.83
CC(C)(C)C1=NC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556643	0	36	-1.0	-38.06	322.13	2.01	-36.05
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025556644	0	35	-1.0	-39.18	330.30	5.07	-34.11
CS(=O)(=O)NC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556645	0	36	-1.0	-44.12	332.51	-1.14	-45.26
CCC(C)OC1=CC=CC=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556646	0	41	-1.0	-40.20	344.55	3.96	-36.24
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025556647	0	33	-1.0	-42.12	316.13	3.37	-38.75
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025556648	0	42	-1.0	-37.29	349.73	4.42	-32.87
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=CC(Br)=C2C=C1	REAL300025556649	0	27	-1.0	-35.49	269.94	1.47	-34.02
CCC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556650	0	30	-1.0	-36.46	276.38	3.05	-33.41
COC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556651	0	28	-1.0	-36.49	271.89	0.97	-35.52
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556652	0	44	0.0	-63.30	363.81	3.94	-59.36
O=C(CC1=NN(CC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556653	0	30	-1.0	-45.63	287.19	0.86	-44.77
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC(Cl)=CC=C2Cl)=N1	REAL300025556654	0	33	-1.0	-37.57	332.14	3.38	-34.19
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(Br)=CC=CN2N=C1	REAL300025556655	0	27	-1.0	-44.09	266.32	1.30	-42.79
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC(Br)=CN=C21	REAL300025556656	0	30	-1.0	-35.44	289.16	2.36	-33.08
NC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025556657	0	28	-1.0	-35.02	278.43	0.48	-34.54
CN1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL300025556658	0	27	-1.0	-43.10	262.74	0.46	-42.64
CC(C)C1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556659	0	31	-1.0	-36.65	293.22	0.91	-35.74
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025556660	0	32	-1.0	-40.34	293.06	2.97	-37.37
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025556661	0	32	-1.0	-42.45	303.57	3.46	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Br	REAL300025556662	0	29	-1.0	-37.11	282.24	1.40	-35.71
O=C(CN1N=C(C(F)F)C=C1C(F)F)NCC1=NC(=O)O[N-]1	REAL300025556663	0	30	-1.0	-40.96	294.88	0.66	-40.30
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL300025556664	0	41	-1.0	-40.34	329.86	2.52	-37.82
CN(CCCC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=NC=C1	REAL300025556665	0	39	-1.0	-45.51	334.60	0.95	-44.56
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556666	0	37	-1.0	-38.32	309.99	4.95	-33.37
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556667	0	53	0.0	-59.74	425.28	8.17	-51.57
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556667	1	53	0.0	-60.72	425.42	8.05	-52.67
COC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025556668	0	36	-1.0	-38.20	308.05	1.40	-36.80
CC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556669	0	26	-1.0	-40.71	256.24	0.55	-40.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL300025556670	0	28	-1.0	-39.77	264.82	0.71	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(Cl)=C1Cl	REAL300025556671	0	30	-1.0	-37.74	303.05	1.82	-35.92
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025556672	0	39	-1.0	-47.80	349.44	2.64	-45.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(C(F)(F)F)C=C1F	REAL300025556673	0	27	-1.0	-34.24	281.05	2.63	-31.61
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025556674	0	31	-1.0	-38.20	286.34	2.78	-35.42
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556675	0	39	-1.0	-40.13	335.74	2.94	-37.19
CC1=NN(C)C=C1C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556676	0	35	-1.0	-43.93	312.21	0.93	-43.00
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL300025556677	0	37	-1.0	-40.77	327.02	2.29	-38.48
CN1C(=O)CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025556678	0	35	-1.0	-40.28	297.80	1.94	-38.34
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025556679	0	26	-1.0	-35.93	255.78	0.34	-35.59
CC1=CC=C2CC(C)(C(=O)NCC3=NC(=O)O[N-]3)OC(=O)C2=C1	REAL300025556680	0	37	-1.0	-47.27	317.78	3.31	-43.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1C1CC1	REAL300025556681	0	30	-1.0	-34.46	284.83	2.19	-32.27
O=C(NCC1=NC(=O)O[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300025556682	0	28	-1.0	-37.41	279.59	1.05	-36.36
CC12CC3CC(Br)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL300025556683	0	41	-1.0	-36.16	326.59	4.04	-32.12
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300025556684	0	41	-1.0	-39.93	331.27	-1.43	-41.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CS2)=C1	REAL300025556685	0	32	-1.0	-39.36	296.33	1.48	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL300025556686	0	27	-1.0	-41.96	262.70	-0.98	-42.94
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL300025556687	0	30	-1.0	-47.42	281.22	0.90	-46.52
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(C(F)F)=NC2=CC=C1	REAL300025556687	1	30	-1.0	-38.74	279.97	0.86	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL300025556688	0	33	-1.0	-39.98	295.32	2.41	-37.57
O=C(CC1=CC=CC(C(F)(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL300025556689	0	29	-1.0	-43.85	279.69	1.20	-42.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1Br	REAL300025556690	0	23	-1.0	-34.16	253.88	0.39	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL300025556691	0	35	-1.0	-36.39	323.91	4.11	-32.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC=C1Br	REAL300025556692	0	24	-1.0	-42.67	242.56	-1.41	-44.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=NN1	REAL300025556693	0	24	-1.0	-39.02	248.11	-1.55	-40.57
CC1=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025556694	0	29	-1.0	-35.24	286.00	1.05	-34.19
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C(C(F)(F)F)=C2)=N1	REAL300025556695	0	39	-1.0	-36.89	359.36	4.09	-32.80
CC(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025556696	0	43	-1.0	-49.90	342.34	2.41	-47.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O	REAL300025556697	0	33	-1.0	-47.53	308.85	1.38	-46.15
CCCOC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C	REAL300025556698	0	40	-1.0	-36.28	337.57	4.39	-31.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025556699	0	40	0.0	-57.61	326.41	3.04	-54.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL300025556699	1	39	-1.0	-38.85	324.05	0.81	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1	REAL300025556700	0	37	-1.0	-43.93	346.27	3.69	-40.24
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556701	0	39	-1.0	-38.18	326.16	3.50	-34.68
O=C(CC1C(=O)NC2=CC=C(Br)C=C21)NCC1=NC(=O)O[N-]1	REAL300025556702	0	32	-1.0	-42.05	304.30	2.03	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(F)C=C2N1	REAL300025556703	0	28	-1.0	-34.04	282.28	1.65	-32.39
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025556704	0	30	-2.0	-85.94	283.71	0.61	-85.33
COC1=C2C=CSC2=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556705	0	31	-1.0	-38.87	284.75	1.74	-37.13
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025556706	0	39	-1.0	-37.09	315.79	2.03	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300025556707	0	31	-1.0	-46.54	285.51	-1.07	-47.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL300025556708	0	27	-1.0	-36.87	276.95	2.96	-33.91
CC(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025556709	0	36	-1.0	-36.85	324.22	4.29	-32.56
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556710	0	34	-1.0	-39.45	318.96	3.12	-36.33
COC1=CC=CC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025556711	0	35	-1.0	-48.68	311.99	1.50	-47.18
CC1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556712	0	23	-1.0	-35.28	249.91	-0.63	-35.91
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025556713	0	44	-1.0	-40.86	376.01	1.50	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1=NC(NCC2=CC=CO2)=NC=C1Br	REAL300025556714	0	34	-1.0	-38.92	329.13	2.19	-36.73
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025556715	0	32	-1.0	-36.35	301.17	0.79	-35.56
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300025556716	0	28	-1.0	-47.23	282.63	2.32	-44.91
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025556717	0	51	-1.0	-41.88	394.75	0.26	-41.62
CCC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556718	0	46	-1.0	-40.86	366.94	1.06	-39.80
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025556719	0	53	-1.0	-40.41	403.57	2.65	-37.76
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556720	0	44	-1.0	-39.28	350.01	1.71	-37.57
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025556721	0	56	-1.0	-37.51	425.42	3.75	-33.76
CCC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556722	0	46	-1.0	-40.85	366.94	1.06	-39.79
CC(C)(C)OC(=O)NC1CC2CC(C(=O)NCC3=NC(=O)O[N-]3)CC21	REAL300025556723	0	48	-1.0	-40.15	370.57	2.61	-37.54
CCC(C)C(C)NC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556724	0	43	-1.0	-40.81	357.90	2.19	-38.62
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025556725	0	34	-1.0	-40.38	306.38	-0.51	-40.89
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C(C)NC(=O)OC(C)(C)C)S1	REAL300025556726	0	46	-1.0	-44.39	394.18	0.19	-44.20
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556727	0	47	-1.0	-41.40	361.13	2.95	-38.45
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]2C[C@H]21	REAL300025556728	0	45	-1.0	-40.45	365.42	1.17	-39.28
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025556729	0	51	-1.0	-42.26	382.21	2.19	-40.07
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025556730	0	47	-1.0	-42.82	362.09	2.93	-39.89
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025556731	0	44	-1.0	-40.59	369.53	2.46	-38.13
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)NCC1=NC(=O)O[N-]1	REAL300025556732	0	45	-1.0	-44.53	359.84	2.32	-42.21
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(C1)CCCCC2	REAL300025556733	0	54	-1.0	-39.51	409.14	3.62	-35.89
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(NC(=O)OC(C)(C)C)=N1	REAL300025556734	0	41	-1.0	-42.06	347.03	0.43	-41.63
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556735	0	51	-1.0	-43.35	411.15	4.79	-38.56
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025556736	0	51	-1.0	-48.77	392.83	2.36	-46.41
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025556737	0	45	-1.0	-46.34	355.68	2.53	-43.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N1C(=O)OCC1=CC=CC=C1	REAL300025556738	0	41	-1.0	-46.09	363.37	3.83	-42.26
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300025556739	0	26	-1.0	-35.02	267.20	0.45	-34.57
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556740	0	42	-1.0	-37.61	349.78	0.66	-36.95
CC(C)(C)OC(=O)N1CCC(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)N2)CC1	REAL300025556741	0	51	-1.0	-40.25	409.97	2.21	-38.04
CC(C)(C)OC(=O)N1CC(CCCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556742	0	47	-1.0	-42.16	384.17	2.68	-39.48
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(CNC(=O)OC(C)(C)C)N1C	REAL300025556743	0	48	-1.0	-42.58	393.07	1.36	-41.22
CC(C)(C)OC(=O)C1=CC(Br)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556744	0	38	-1.0	-42.10	347.57	2.94	-39.16
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025556745	0	42	-1.0	-46.05	337.77	2.31	-43.74
CC(C)(C)OC(=O)NCCCC(NC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556746	0	49	-1.0	-50.59	399.39	-3.20	-53.79
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(Cl)=C1Cl	REAL300025556747	0	25	-1.0	-34.57	276.03	1.52	-33.05
COCC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025556748	0	43	-1.0	-36.79	352.43	1.22	-35.57
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556749	0	43	-1.0	-41.56	358.24	2.14	-39.42
CC(C)(C)OC(=O)N1CCCC2(C(=O)NCC3=NC(=O)O[N-]3)CC2C1	REAL300025556750	0	48	-1.0	-43.16	373.04	3.34	-39.82
CC(C)(C)OC(=O)NC1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556751	0	51	-1.0	-42.13	400.55	2.45	-39.68
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556752	0	52	-1.0	-37.94	415.73	4.53	-33.41
NC1=NC2=C(N=CN2CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025556753	0	31	-1.0	-51.42	288.10	-0.08	-51.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(NCC2=CC=CC=C2)=CC=N1	REAL300025556754	0	38	-1.0	-40.84	334.97	1.94	-38.90
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556755	0	44	-1.0	-35.60	357.65	0.61	-34.99
CC(C)(C)OC(=O)NC(CC1=NC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556756	0	43	-1.0	-38.76	359.75	-0.97	-39.73
CCCC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556757	0	49	-1.0	-40.78	388.44	1.84	-38.94
COC(=O)CC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556758	0	49	-1.0	-41.74	400.90	1.09	-40.65
CCC(C)(COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556759	0	43	-1.0	-35.89	353.47	3.70	-32.19
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025556760	0	30	-1.0	-43.67	311.09	3.04	-40.63
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556761	0	41	-1.0	-39.21	361.60	0.64	-38.57
CCCC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556762	0	49	-1.0	-40.74	388.44	1.84	-38.90
CC(C)(C)OC(=O)N1CCOC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025556763	0	49	-1.0	-42.11	395.68	3.26	-38.85
CC(C)(C)OC(=O)N1CCC(C(C#N)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556764	0	48	-1.0	-40.50	385.64	2.80	-37.70
O=C(NCC1=NC(=O)O[N-]1)C(CCC1=CC=CC=C1)C1=CC=CC=C1	REAL300025556765	0	43	-1.0	-37.56	364.84	6.69	-30.87
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025556766	0	42	0.0	-52.41	335.29	2.69	-49.72
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025556766	1	42	0.0	-49.25	333.98	2.76	-46.49
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC(C1)S2(=O)=O	REAL300025556767	0	37	-1.0	-42.55	279.97	-1.18	-43.73
COC1=C(F)C=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556768	0	28	-1.0	-39.32	283.82	0.94	-38.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL300025556769	0	29	-1.0	-41.31	277.06	-1.32	-42.63
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=C2CCCCN12	REAL300025556770	0	31	-1.0	-41.10	286.72	1.61	-39.49
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300025556771	0	30	-1.0	-37.83	290.48	1.42	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL300025556772	0	37	-1.0	-39.73	321.79	-1.05	-40.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=NO1	REAL300025556773	0	30	-1.0	-38.75	294.18	1.94	-36.81
O=C(NCC1=NC(=O)O[N-]1)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300025556774	0	31	-1.0	-35.61	310.35	1.48	-34.13
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300025556775	0	35	-1.0	-40.00	312.91	2.66	-37.34
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556776	0	40	-1.0	-48.95	352.54	1.95	-47.00
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=C1	REAL300025556777	0	27	-1.0	-43.19	273.42	1.32	-41.87
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL300025556778	0	32	-1.0	-35.23	292.47	2.11	-33.12
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025556779	0	31	-1.0	-42.37	301.49	2.39	-39.98
O=C(CN1C=C(I)N=N1)NCC1=NC(=O)O[N-]1	REAL300025556780	0	23	-1.0	-43.30	248.10	-1.23	-44.53
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1F	REAL300025556781	0	31	-1.0	-38.53	300.47	3.73	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300025556782	0	30	-1.0	-35.50	304.64	2.48	-33.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300025556783	0	27	-1.0	-33.99	283.89	2.92	-31.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C(Br)=C1	REAL300025556784	0	31	-1.0	-40.44	305.79	2.28	-38.16
COC1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025556785	0	30	-1.0	-35.85	282.52	-1.49	-37.34
COC1=CC=CC=C1C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556786	0	34	-1.0	-40.25	315.17	1.69	-38.56
O=C(NCC1=NC(=O)O[N-]1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300025556787	0	31	-1.0	-36.85	273.33	2.40	-34.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL300025556788	0	30	-1.0	-49.88	278.78	-5.51	-55.39
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025556789	0	35	-1.0	-43.56	309.19	-0.45	-44.01
CCCCCC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556790	0	42	-1.0	-37.01	353.13	5.50	-31.51
O=C(NCC1=NC(=O)O[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL300025556791	0	32	-1.0	-35.66	288.16	1.72	-33.94
CC(C)(C)OCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556792	0	36	-1.0	-36.84	320.05	0.05	-36.79
CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL300025556793	0	33	-1.0	-36.43	300.97	2.28	-34.15
COC1=CC(F)=CC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025556794	0	35	-1.0	-43.65	318.45	1.57	-42.08
O=C(NCC1=NC(=O)O[N-]1)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025556795	0	46	-1.0	-40.08	375.17	7.44	-32.64
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=CC=C1I	REAL300025556796	0	28	-1.0	-37.97	270.24	0.88	-37.09
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025556797	0	30	-1.0	-39.37	266.86	2.61	-36.76
CN(C)C1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025556798	0	35	-1.0	-39.34	314.54	1.94	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL300025556799	0	37	-1.0	-38.28	302.02	2.67	-35.61
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025556800	0	47	-1.0	-41.98	370.33	0.64	-41.34
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL300025556801	0	36	-1.0	-53.18	314.84	2.40	-50.78
NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)O1	REAL300025556802	0	26	-1.0	-40.68	276.10	-5.39	-46.07
CC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556803	0	43	-1.0	-40.91	345.44	0.31	-40.60
CC1CN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2CN1C(=O)OC(C)(C)C	REAL300025556804	0	48	-1.0	-42.01	386.12	1.58	-40.43
CC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556805	0	43	-1.0	-40.92	345.44	0.31	-40.61
CC(C)(C)OC(=O)N1CCCC1C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025556806	0	49	-1.0	-42.10	403.45	2.07	-40.03
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300025556807	0	38	-1.0	-48.01	328.11	2.82	-45.19
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL300025556808	0	31	-1.0	-42.86	292.26	2.25	-40.61
NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025556809	0	29	-1.0	-41.02	291.52	-3.37	-44.39
CC(C)(C)OC(=O)N1CC(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025556810	0	45	-1.0	-39.68	377.46	0.36	-39.32
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(CCNC(=O)OC(C)(C)C)S1	REAL300025556811	0	46	-1.0	-45.90	395.36	0.09	-45.81
CCN(CC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1)C(=O)OC(C)(C)C	REAL300025556812	0	56	-1.0	-44.49	423.04	4.98	-39.51
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025556813	0	42	-1.0	-48.52	349.15	2.22	-46.30
CC(C)(C)OC(=O)NC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL300025556814	0	44	-1.0	-42.44	373.38	1.13	-41.31
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025556815	0	38	-1.0	-38.60	324.20	0.52	-38.08
O=C(NCC1=NC(=O)O[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL300025556816	0	38	-1.0	-39.61	313.56	0.90	-38.71
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025556817	0	42	-1.0	-38.34	357.88	-0.43	-38.77
CC1=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL300025556818	0	38	-1.0	-38.31	318.46	0.05	-38.26
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556819	0	44	-1.0	-38.55	351.85	2.01	-36.54
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556820	0	38	-1.0	-38.35	307.82	0.49	-37.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCCC3)OC2=C1	REAL300025556821	0	42	-1.0	-37.12	348.59	1.99	-35.13
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=C(F)C=C1	REAL300025556822	0	34	-1.0	-41.51	306.15	2.11	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL300025556823	0	38	-1.0	-43.03	329.82	2.61	-40.42
O=C(NCC1=NC(=O)O[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL300025556824	0	33	-1.0	-38.34	294.44	0.51	-37.83
COC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025556825	0	34	-1.0	-43.09	307.90	0.05	-43.04
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1Cl	REAL300025556826	0	38	-1.0	-36.80	339.28	3.63	-33.17
COC1=CC=C(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025556827	0	37	-1.0	-42.93	330.92	1.56	-41.37
O=C(CN1N=NN=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025556828	0	32	-1.0	-41.38	289.35	0.62	-40.76
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL300025556829	0	35	-1.0	-39.50	319.76	2.89	-36.61
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)N1	REAL300025556830	0	31	-1.0	-39.80	293.44	-0.28	-40.08
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025556830	1	30	-2.0	-82.20	290.01	-0.71	-82.91
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300025556831	0	33	-1.0	-42.16	301.89	3.75	-38.41
CS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556832	0	36	-1.0	-44.64	327.83	0.06	-44.58
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Br	REAL300025556833	0	34	-1.0	-46.28	321.92	3.46	-42.82
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1S(N)(=O)=O	REAL300025556834	0	29	-1.0	-43.26	270.47	-5.02	-48.28
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=C1	REAL300025556835	0	37	-1.0	-36.30	317.25	4.05	-32.25
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556836	0	41	-1.0	-36.87	341.26	1.00	-35.87
CCOC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025556837	0	31	-1.0	-42.32	302.31	1.71	-40.61
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025556838	0	29	-2.0	-80.85	279.58	0.85	-80.00
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL300025556838	1	30	-1.0	-53.94	282.82	1.29	-52.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1F	REAL300025556839	0	24	-1.0	-35.31	252.67	1.78	-33.53
O=C(C=CC1=CC=C(Br)O1)NCC1=NC(=O)O[N-]1	REAL300025556840	0	25	-1.0	-37.69	259.97	1.15	-36.54
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1C1CCCO1	REAL300025556841	0	55	-1.0	-37.57	411.89	2.42	-35.15
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Br)=C1	REAL300025556842	0	27	-1.0	-35.70	276.65	2.43	-33.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N(C)C1=O	REAL300025556843	0	36	-1.0	-41.87	309.06	2.37	-39.50
O=C(CC=CC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025556844	0	31	-1.0	-36.88	298.08	3.67	-33.21
CC(C)(C)OC(=O)NCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025556845	0	45	-1.0	-41.26	367.38	-1.34	-42.60
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025556846	0	51	-1.0	-38.58	397.75	4.82	-33.76
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025556847	0	31	-1.0	-37.14	297.00	2.22	-34.92
CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556848	0	49	-1.0	-41.95	381.56	0.88	-41.07
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCCC[C@H]12	REAL300025556849	0	51	-1.0	-40.26	388.23	3.49	-36.77
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1	REAL300025556850	0	49	-1.0	-40.78	395.64	3.26	-37.52
CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556851	0	47	-1.0	-38.35	378.98	2.73	-35.62
CC(C)C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556852	0	49	-1.0	-40.88	388.25	1.70	-39.18
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556853	0	44	-1.0	-37.88	369.85	-0.87	-38.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300025556854	0	32	-1.0	-39.10	294.49	4.36	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL300025556855	0	31	-1.0	-47.08	295.20	2.33	-44.75
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025556856	0	36	-1.0	-47.14	350.77	3.54	-43.60
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N(CC2=CC=CC=C2)N=C1	REAL300025556857	0	34	-1.0	-37.57	323.29	3.06	-34.51
CC(C)(C)OC(=O)NCC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556858	0	43	-1.0	-42.84	377.68	-0.62	-43.46
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556859	0	45	-1.0	-37.43	362.36	1.10	-36.33
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025556860	0	30	-1.0	-35.58	289.47	3.37	-32.21
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC2=C(Br)C=CC=C21	REAL300025556861	0	29	-1.0	-38.27	277.89	2.10	-36.17
CC(C)(C)OC(=O)CN1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025556862	0	46	-1.0	-47.51	371.95	3.01	-44.50
CCOC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=C1	REAL300025556863	0	37	-1.0	-45.91	321.00	3.34	-42.57
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556864	0	41	-1.0	-37.06	342.84	-2.13	-39.19
O=C(CCC1=CC=C2OCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025556865	0	38	-1.0	-37.93	320.85	3.17	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300025556866	0	34	-1.0	-42.63	306.17	2.06	-40.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1	REAL300025556867	0	37	-1.0	-40.93	341.96	3.11	-37.82
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556868	0	34	-1.0	-35.58	307.41	2.42	-33.16
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025556869	0	44	-1.0	-39.47	363.64	1.57	-37.90
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025556870	0	40	-1.0	-37.42	356.73	-1.31	-38.73
CC(C)C[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556871	0	49	-1.0	-40.92	388.63	1.69	-39.23
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(CNC(=O)OC(C)(C)C)S1	REAL300025556872	0	43	-1.0	-43.16	373.85	-0.67	-43.83
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025556873	0	45	-1.0	-42.87	368.68	1.13	-41.74
CC(C)(C)OC(=O)N1CC=C(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025556874	0	45	-1.0	-40.96	355.59	2.72	-38.24
O=C(CC1=C(Br)SC=C1)NCC1=NC(=O)O[N-]1	REAL300025556875	0	24	-1.0	-36.96	255.68	1.35	-35.61
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1(O)CCCCCC1	REAL300025556876	0	37	-1.0	-34.26	289.52	-0.42	-34.68
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556877	0	41	-1.0	-40.27	339.39	4.24	-36.03
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556878	0	53	-1.0	-39.26	426.48	4.29	-34.97
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300025556879	0	50	-1.0	-37.23	380.66	4.00	-33.23
O=C(CN1CSC(=S)N(CC2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL300025556880	0	41	-1.0	-45.51	362.00	2.67	-42.84
CC(C)(C)OC(=O)N1CCCC(O)(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C1	REAL300025556881	0	55	-1.0	-49.02	411.91	1.71	-47.31
CCCOC1=CC=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025556882	0	41	-1.0	-43.79	350.56	2.80	-40.99
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025556883	0	32	-1.0	-43.62	310.71	-1.83	-45.45
COC(=O)C1=C2CCCCN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556884	0	38	-1.0	-36.82	320.55	2.89	-33.93
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL300025556885	0	30	-1.0	-38.70	288.38	1.56	-37.14
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025556886	0	49	-1.0	-40.17	377.55	1.58	-38.59
CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556887	0	53	-1.0	-39.19	426.47	4.29	-34.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O	REAL300025556888	0	30	-1.0	-48.53	299.70	1.43	-47.10
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL300025556889	0	29	-1.0	-44.96	283.40	0.08	-44.88
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL300025556890	0	30	-1.0	-42.83	282.55	-0.51	-43.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(Br)N1	REAL300025556891	0	22	-1.0	-33.18	251.00	-0.08	-33.26
CC(O)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025556892	0	31	-1.0	-35.58	295.71	-0.09	-35.67
CC1=CC=C(OCCC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025556893	0	34	-1.0	-37.00	313.06	2.58	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300025556894	0	30	-1.0	-38.58	284.27	-1.21	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL300025556895	0	28	-1.0	-35.42	271.56	0.92	-34.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1	REAL300025556896	0	35	-1.0	-36.17	321.01	4.83	-31.34
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL300025556897	0	26	-1.0	-37.15	258.78	1.09	-36.06
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(CCO)C=NC2=N1	REAL300025556898	0	32	-1.0	-48.92	296.40	-0.73	-49.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL300025556899	0	29	-1.0	-46.74	286.54	0.73	-46.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=NS1	REAL300025556900	0	20	-1.0	-33.98	226.94	-0.70	-34.68
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL300025556901	0	29	-1.0	-41.22	284.22	0.61	-40.61
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556902	0	48	-1.0	-37.27	372.59	0.71	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300025556903	0	33	-1.0	-42.63	325.76	2.76	-39.87
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556904	0	45	-1.0	-42.70	361.59	-0.81	-43.51
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556905	0	42	-1.0	-41.29	347.75	-0.82	-42.11
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556906	0	46	-1.0	-37.92	382.23	-0.10	-38.02
CC(C)[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556907	0	46	-1.0	-40.53	361.95	0.80	-39.73
COC(=O)C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556908	0	46	-1.0	-40.68	378.76	0.60	-40.08
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556909	0	44	-1.0	-42.68	356.05	1.92	-40.76
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556910	0	47	-1.0	-41.74	361.42	2.95	-38.79
CC(C)(C)OC(=O)N1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556911	0	45	-1.0	-43.95	383.09	-1.09	-45.04
O=C(NCC1=NC(=O)O[N-]1)C1=C2NCCC(C(F)(F)F)N2N=C1	REAL300025556912	0	33	-1.0	-41.94	297.21	-0.25	-42.19
CC(C)NC1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556913	0	33	-1.0	-37.09	309.01	1.88	-35.21
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)NCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025556914	0	48	-1.0	-40.38	376.14	2.03	-38.35
CC1CC(C)C(C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025556915	0	50	-1.0	-39.04	381.42	3.77	-35.27
CC(C)[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025556916	0	46	-1.0	-40.53	362.00	0.80	-39.73
CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556917	0	44	-1.0	-44.40	371.77	-3.46	-47.86
CN(C)C1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556918	0	30	-1.0	-37.74	286.86	2.16	-35.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300025556919	0	34	-1.0	-40.89	326.60	3.31	-37.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL300025556920	0	36	-1.0	-45.01	335.07	3.42	-41.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL300025556921	0	35	-1.0	-50.55	330.41	6.42	-44.13
CC(C)(C)OC(=O)N1C[C@@]2(C(F)(F)F)C[C@@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556922	0	45	-1.0	-36.94	379.11	2.92	-34.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL300025556923	0	38	-1.0	-41.78	321.29	0.94	-40.84
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=C1	REAL300025556924	0	31	-1.0	-41.31	297.84	3.07	-38.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=C1CCCCCC2	REAL300025556925	0	37	-1.0	-37.18	297.04	3.48	-33.70
CC1(C)CCC2=C(C1)SC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025556926	0	37	-1.0	-37.03	307.74	3.53	-33.50
C#CC1=CC=CC(NC(=O)CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556927	0	33	-1.0	-49.88	304.69	2.60	-47.28
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)COC1	REAL300025556928	0	42	-1.0	-41.05	339.98	-0.98	-42.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(N2C=CC=C2)=C1	REAL300025556929	0	32	-1.0	-35.79	303.27	4.44	-31.35
CC(C)(C)OC(=O)C12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL300025556930	0	40	-1.0	-36.76	334.22	3.32	-33.44
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1Cl	REAL300025556931	0	27	-1.0	-38.65	274.82	0.20	-38.45
O=C(CN1CCCC(C(F)(F)F)C1=O)NCC1=NC(=O)O[N-]1	REAL300025556932	0	34	-1.0	-43.44	302.24	0.99	-42.45
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2COCCN12	REAL300025556933	0	50	-1.0	-42.03	409.13	0.17	-41.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(Cl)=C1Cl	REAL300025556934	0	36	-1.0	-38.45	341.37	4.74	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=C1	REAL300025556935	0	27	-1.0	-40.85	273.71	1.33	-39.52
CC(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025556936	0	40	-1.0	-36.86	332.85	4.41	-32.45
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(Br)=C1	REAL300025556937	0	31	-1.0	-35.16	296.95	2.23	-32.93
O=C(NCC1=NC(=O)O[N-]1)C1CCCC(NC2=CN=CC=N2)C1	REAL300025556938	0	40	-1.0	-38.79	329.15	0.34	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL300025556939	0	34	-1.0	-40.82	302.87	3.60	-37.22
CC(C)(C)OC(=O)NCC1=C2CCCCN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556940	0	52	-1.0	-39.23	414.72	2.71	-36.52
CC1=CC(Br)=CC(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556941	0	29	-1.0	-39.24	282.17	1.32	-37.92
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556942	0	34	-1.0	-36.57	306.60	2.88	-33.69
CC(NC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1)C1=CC=CS1	REAL300025556943	0	43	-1.0	-41.63	393.45	0.68	-40.95
CC(C)(C)OC(=O)NCC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556944	0	53	-1.0	-38.47	405.60	3.59	-34.88
CC(C)(C)OC(=O)NCCCCSCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556945	0	47	-1.0	-42.17	399.78	1.42	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300025556946	0	38	-1.0	-35.98	326.43	4.31	-31.67
CS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556947	0	33	-1.0	-46.39	306.45	-0.75	-47.14
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300025556948	0	33	-1.0	-35.50	306.10	2.38	-33.12
CC1=C(CC(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025556949	0	37	-1.0	-38.69	329.29	3.21	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300025556950	0	35	-1.0	-43.27	323.36	3.19	-40.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCCC2)=NO1	REAL300025556951	0	39	-1.0	-36.39	328.22	3.09	-33.30
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556952	0	37	-1.0	-40.16	328.62	4.51	-35.65
COC1=C(F)C(F)=CC2=C1N(C1CC1)C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025556953	0	41	-1.0	-48.44	354.38	3.72	-44.72
CC(C)(C)CN1C(=O)NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025556954	0	43	-1.0	-42.24	349.16	2.50	-39.74
O=C(NCC1=NC(=O)O[N-]1)C1=C2COCCN2C(C2=CC=CC=C2)=N1	REAL300025556955	0	39	-1.0	-46.57	331.10	2.07	-44.50
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1	REAL300025556956	0	41	-1.0	-38.82	343.17	6.24	-32.58
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300025556957	0	34	-1.0	-38.95	317.63	2.84	-36.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300025556958	0	41	-1.0	-43.66	337.24	3.01	-40.65
CCCCCCCSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556959	0	46	-1.0	-35.71	390.13	6.82	-28.89
O=C(CN1CCCC2(CC2)S1(=O)=O)NCC1=NC(=O)O[N-]1	REAL300025556960	0	36	-1.0	-48.19	314.35	-1.15	-49.34
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025556961	0	40	0.0	-54.83	324.43	3.84	-50.99
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025556961	1	40	0.0	-54.70	326.33	3.97	-50.73
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556962	0	48	-1.0	-38.46	377.75	0.69	-37.77
CC(C)(C)OC(=O)NC(CCCC1OCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556963	0	52	-1.0	-43.68	414.70	0.56	-43.12
CC(C)(C)OC(=O)N1CCCC1C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025556964	0	49	-1.0	-45.47	399.67	2.97	-42.50
CC(C)(C)OC(=O)NC1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)CC1	REAL300025556965	0	54	-1.0	-40.27	417.77	2.73	-37.54
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025556966	0	50	-1.0	-39.61	393.06	2.98	-36.63
O=C(CC(C(F)F)N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025556967	0	36	-1.0	-38.34	293.07	-1.56	-39.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC=CN=C2)=N1	REAL300025556968	0	33	-1.0	-38.18	295.91	0.32	-37.86
CC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL300025556969	0	32	-1.0	-41.43	296.25	1.76	-39.67
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN=C1C(F)(F)F	REAL300025556970	0	28	-1.0	-33.93	262.45	-1.26	-35.19
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556971	0	44	-1.0	-42.51	351.81	2.54	-39.97
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025556972	0	51	-1.0	-43.03	393.80	3.99	-39.04
CC1=CC=CC=C1CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025556973	0	46	-1.0	-37.42	379.22	7.14	-30.28
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025556974	0	37	-1.0	-35.49	295.26	2.14	-33.35
CN(C)S(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556975	0	40	-1.0	-42.84	335.90	-1.86	-44.70
O=C(CCC1=CN=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025556976	0	29	-1.0	-36.35	283.32	1.36	-34.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL300025556977	0	28	-1.0	-37.53	266.77	0.69	-36.84
CCCCCCCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556978	0	48	-1.0	-36.66	393.00	7.17	-29.49
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300025556979	0	37	-1.0	-40.63	307.11	2.74	-37.89
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556980	0	35	-1.0	-36.21	305.29	1.99	-34.22
CC1(C)OC(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025556981	0	34	-1.0	-41.60	301.38	2.74	-38.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL300025556982	0	30	-1.0	-41.35	287.58	2.14	-39.21
CCCCNC(=O)CSC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556983	0	43	-1.0	-47.49	382.76	1.13	-46.36
NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556984	0	30	-1.0	-49.02	282.94	-2.36	-51.38
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556985	0	41	-1.0	-40.79	341.81	-3.37	-44.16
CC(C)(C)OC(=O)N1CCC2(CCCC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025556986	0	54	-1.0	-41.84	402.91	4.00	-37.84
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556987	0	47	-1.0	-41.75	369.09	1.26	-40.49
CC1CCCC1(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025556988	0	48	-1.0	-44.28	389.47	3.34	-40.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)N=C1C1CC1	REAL300025556989	0	39	-1.0	-38.98	349.67	5.60	-33.38
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCCO1	REAL300025556990	0	38	-1.0	-37.54	307.32	2.81	-34.73
CN1N=C(C2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556991	0	38	-1.0	-36.59	316.01	0.13	-36.46
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556992	0	34	-1.0	-50.36	305.43	3.04	-47.32
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025556993	0	34	-1.0	-48.86	309.40	2.80	-46.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C2C1=O	REAL300025556994	0	32	-1.0	-37.32	286.38	1.99	-35.33
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556995	0	33	-1.0	-49.62	304.87	-0.91	-50.53
CN1C=C(Br)C(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556996	0	27	-1.0	-41.30	269.49	-0.01	-41.31
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC=C21	REAL300025556997	0	33	-1.0	-39.54	295.88	3.82	-35.72
O=C(CN1C=CC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025556998	0	31	-1.0	-38.88	300.28	3.81	-35.07
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=N1	REAL300025556999	0	26	-1.0	-47.32	268.55	1.16	-46.16
CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025557000	0	31	-1.0	-34.63	297.33	2.25	-32.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(Cl)=N1	REAL300025557001	0	29	-1.0	-39.89	300.38	2.56	-37.33
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC2(CC1)OCCO2	REAL300025557002	0	53	-1.0	-42.83	408.16	0.64	-42.19
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557003	0	38	-1.0	-39.82	322.68	-3.53	-43.35
CC(C)(C)OC(=O)N1CC(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CO2)C1	REAL300025557004	0	44	-1.0	-43.41	377.30	-1.24	-44.65
O=C(CC1=NC(C(F)(F)F)=CS1)NCC1=NC(=O)O[N-]1	REAL300025557005	0	26	-1.0	-39.34	271.18	-0.17	-39.51
CC1=CC=CC=C1C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025557006	0	40	-1.0	-38.26	333.44	5.51	-32.75
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025557007	0	30	-1.0	-36.86	288.36	2.21	-34.65
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1(C)C	REAL300025557008	0	50	-1.0	-41.62	380.54	2.20	-39.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1OCC(F)(F)F	REAL300025557009	0	30	-1.0	-40.52	302.10	1.56	-38.96
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557010	0	46	-1.0	-42.28	369.44	2.08	-40.20
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025557011	0	45	-1.0	-36.67	357.45	-0.93	-37.60
CC(C)(C)OC(=O)N1CC2(CC2(F)F)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557012	0	45	-1.0	-41.68	379.58	2.84	-38.84
CC[C@H](C)[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025557013	0	49	-1.0	-40.69	383.50	1.89	-38.80
CC(C)(C)OC(=O)N1CC2(C1)COC(CC(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557014	0	49	-1.0	-45.36	396.19	1.28	-44.08
CC1(C)CCCC1(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557015	0	51	-1.0	-43.90	407.20	4.23	-39.67
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557016	0	50	-1.0	-42.98	384.41	3.18	-39.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL300025557017	0	33	-1.0	-41.72	293.70	2.60	-39.12
O=C(CC(N1CCOCC1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025557018	0	36	-1.0	-35.82	299.15	-1.66	-37.48
CN1CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025557019	0	34	-1.0	-39.80	295.44	0.21	-39.59
CC(C)(C)OC(=O)NCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557020	0	47	-1.0	-42.63	390.52	2.26	-40.37
CC1=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025557021	0	27	-1.0	-38.41	277.67	1.93	-36.48
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557022	0	46	-1.0	-38.99	378.79	0.08	-38.91
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025557023	0	45	-1.0	-39.24	380.03	3.39	-35.85
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557024	0	43	-1.0	-42.93	364.34	0.11	-42.82
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025557025	0	49	-1.0	-45.43	392.88	3.60	-41.83
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1N	REAL300025557026	0	32	-1.0	-39.73	288.16	-0.82	-40.55
CC1=CC=CC(C(C(=O)NCC2=NC(=O)O[N-]2)C2CCCCC2)=C1	REAL300025557027	0	46	-1.0	-36.37	364.58	5.88	-30.49
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=N1	REAL300025557028	0	34	-1.0	-41.54	306.26	2.45	-39.09
CS(=O)(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL300025557029	0	27	-1.0	-42.17	264.87	-1.33	-43.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CSC=C2)=NO1	REAL300025557030	0	30	-1.0	-37.98	291.91	1.73	-36.25
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NCC1=NC(=O)O[N-]1	REAL300025557031	0	32	-1.0	-40.81	300.23	2.67	-38.14
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025557032	0	50	-1.0	-40.91	389.30	2.15	-38.76
CC(C)(C)OC(=O)N1CCC2=C(C=CO2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557033	0	45	-1.0	-41.57	366.38	2.79	-38.78
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557034	0	42	-1.0	-37.41	340.70	-0.98	-38.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL300025557035	0	30	-1.0	-39.06	291.84	2.42	-36.64
CC(C)(C)OC(=O)N1C=CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557036	0	42	-1.0	-43.02	337.93	2.93	-40.09
CC(C)(C)OC(=O)N1CCOC2C(C(=O)NCC3=NC(=O)O[N-]3)C21	REAL300025557037	0	43	-1.0	-41.26	353.19	0.23	-41.03
COC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025557038	0	44	-1.0	-40.47	364.07	-1.06	-41.53
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL300025557039	0	37	-1.0	-41.19	306.49	3.16	-38.03
O=C(NCC1=NC(=O)O[N-]1)C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1	REAL300025557040	0	40	-1.0	-39.84	340.72	2.36	-37.48
CC(C)(C)OC(=O)N1CCCC2C(C(=O)NCC3=NC(=O)O[N-]3)C21	REAL300025557041	0	45	-1.0	-40.04	350.68	3.41	-36.63
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025557042	0	41	-1.0	-35.56	331.92	0.83	-34.73
COC(=O)C[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025557043	0	46	-1.0	-40.64	378.60	0.71	-39.93
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557044	0	47	-1.0	-36.40	375.74	2.82	-33.58
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL300025557045	0	46	-1.0	-39.06	375.70	0.38	-38.68
CC(C)(C)OC(=O)NCC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025557046	0	51	-1.0	-40.33	420.46	3.19	-37.14
CC1=NSC(C(=O)NCC2=NC(=O)O[N-]2)=C1NC(=O)OC(C)(C)C	REAL300025557047	0	40	-1.0	-36.47	347.20	-0.15	-36.62
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557048	0	47	-1.0	-39.75	370.33	2.05	-37.70
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557049	0	43	-1.0	-39.41	369.36	-2.35	-41.76
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=N1	REAL300025557050	0	26	-1.0	-42.08	268.50	1.23	-40.85
COC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557051	0	48	-1.0	-42.94	389.19	1.98	-40.96
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=CC=C2)=N1	REAL300025557052	0	34	-1.0	-43.17	320.18	1.36	-41.81
O=C(C#CC12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025557053	0	40	-1.0	-36.83	317.03	4.31	-32.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C(F)=C2N1	REAL300025557054	0	28	-1.0	-36.89	281.84	1.63	-35.26
CC1=C(Cl)C=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025557055	0	31	-1.0	-35.35	290.21	2.07	-33.28
COC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)N(C)C2=C1	REAL300025557056	0	35	-1.0	-38.11	301.82	1.86	-36.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL300025557057	0	28	-1.0	-40.50	279.31	1.93	-38.57
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025557058	0	56	-1.0	-40.60	420.48	3.54	-37.06
CC(C)(C)OC(=O)NC1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025557059	0	48	-1.0	-40.69	390.81	0.26	-40.43
NC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025557060	0	35	-1.0	-43.80	310.26	-1.54	-45.34
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557061	0	50	-1.0	-40.84	374.98	2.75	-38.09
O=C(COCCC1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025557062	0	31	-1.0	-37.71	308.99	2.60	-35.11
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557063	0	41	-1.0	-38.50	357.54	5.44	-33.06
CC1=CC=C(C)C(C(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025557064	0	42	-1.0	-36.57	340.36	4.56	-32.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)ON=C1C1=CC=CC=C1	REAL300025557065	0	43	-1.0	-38.19	366.21	5.66	-32.53
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C3=CC=CC=C3)C=C(C(F)F)N2N=C1	REAL300025557066	0	39	-1.0	-54.74	356.76	4.41	-50.33
CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C1	REAL300025557067	0	49	-1.0	-41.65	389.60	-0.88	-42.53
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NCC1=NC(=O)O[N-]1	REAL300025557068	0	34	-1.0	-41.43	314.37	1.94	-39.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300025557069	0	31	-1.0	-37.24	295.54	3.58	-33.66
CC1=CC(Br)=CC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557070	0	33	-1.0	-36.37	301.13	3.36	-33.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CC=C(Br)C2=N1	REAL300025557071	0	27	-1.0	-48.00	272.91	2.08	-45.92
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557072	0	43	-1.0	-39.30	364.06	-0.29	-39.59
CCN1N=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557073	0	27	-1.0	-35.99	269.80	0.15	-35.84
CCN1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025557074	0	27	-1.0	-42.28	267.29	0.31	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300025557075	0	31	-1.0	-38.62	294.99	2.49	-36.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300025557076	0	38	-1.0	-43.27	322.15	1.44	-41.83
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL300025557077	0	37	-1.0	-41.20	330.00	3.39	-37.81
CN1C=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025557078	0	30	-1.0	-38.85	277.37	0.61	-38.24
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025557079	0	47	-1.0	-47.46	392.98	-0.42	-47.88
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557080	0	40	-1.0	-36.62	334.26	-0.45	-37.07
CC(C)(C)OC(=O)NC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025557081	0	44	-1.0	-39.91	382.38	2.69	-37.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CNC(=O)OC(C)(C)C)=N1	REAL300025557082	0	43	-1.0	-37.30	373.74	-0.69	-37.99
COC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025557083	0	35	-1.0	-41.36	307.08	1.07	-40.29
O=C(CCC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025557084	0	30	-1.0	-36.02	301.10	3.52	-32.50
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025557085	0	48	-1.0	-41.34	379.75	-0.27	-41.61
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557086	0	50	-1.0	-43.01	384.52	3.16	-39.85
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(C)(C)C1	REAL300025557087	0	50	-1.0	-42.27	384.85	2.61	-39.66
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557088	0	47	-1.0	-41.79	363.38	1.55	-40.24
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025557089	0	39	-1.0	-38.53	342.51	4.37	-34.16
CC1=CC=CC=C1C(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025557090	0	43	-1.0	-36.89	338.39	5.69	-31.20
NS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557091	0	29	-1.0	-40.61	296.56	-3.38	-43.99
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300025557092	0	29	-1.0	-40.24	281.95	2.10	-38.14
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557093	0	31	-1.0	-34.40	281.66	1.61	-32.79
O=C(C=C1CCCC(C(F)(F)F)C1)NCC1=NC(=O)O[N-]1	REAL300025557094	0	34	-1.0	-35.88	293.82	2.77	-33.11
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300025557095	0	33	-1.0	-37.85	303.86	3.72	-34.13
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557096	0	33	-1.0	-38.30	296.72	3.50	-34.80
CC(C)(C)OC(=O)N1C2C(CCC1C(=O)NCC1=NC(=O)O[N-]1)C2(F)F	REAL300025557097	0	45	-1.0	-44.51	365.97	3.18	-41.33
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)CO2	REAL300025557098	0	46	-1.0	-38.20	377.97	-1.00	-39.20
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557099	0	45	-1.0	-42.73	367.46	-0.91	-43.64
CC1=CC(Br)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557100	0	26	-1.0	-37.15	255.71	0.60	-36.55
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025557101	0	33	-1.0	-35.84	300.40	3.26	-32.58
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025557102	0	30	-1.0	-34.70	285.86	-1.15	-35.85
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557103	0	50	-1.0	-41.88	381.24	1.61	-40.27
CC(C)(C)OC(=O)N1CCCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557104	0	50	-1.0	-38.32	390.97	3.72	-34.60
CC(C)(C)OC(=O)NCC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCC1	REAL300025557105	0	50	-1.0	-38.30	386.61	2.48	-35.82
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H](C(F)F)C1	REAL300025557106	0	44	-1.0	-37.20	366.83	1.82	-35.38
CC(C)(C)OC(=O)NC1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557107	0	45	-1.0	-39.13	361.52	0.35	-38.78
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557108	0	45	-1.0	-39.10	377.62	3.87	-35.23
COCCC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025557109	0	39	-1.0	-38.34	348.48	0.21	-38.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(=O)N1	REAL300025557110	0	30	-1.0	-39.86	293.43	0.95	-38.91
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025557111	0	45	-1.0	-49.54	369.15	2.63	-46.91
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025557112	0	56	-1.0	-37.50	425.40	3.71	-33.79
CC(C)(C)OC(=O)N1CCCC1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025557113	0	48	-1.0	-42.86	405.44	4.36	-38.50
CC(C)(C)OC(=O)NC(CC1CCCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557114	0	51	-1.0	-36.84	392.65	0.86	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300025557115	0	29	-1.0	-54.01	281.62	0.64	-53.37
CC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1(F)F	REAL300025557116	0	34	-1.0	-38.41	298.95	3.66	-34.75
CC(C)CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557117	0	57	-1.0	-35.46	413.06	4.21	-31.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL300025557118	0	24	-1.0	-34.63	267.42	2.16	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL300025557119	0	33	-1.0	-36.78	291.82	2.16	-34.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300025557120	0	27	-1.0	-34.86	272.93	2.47	-32.39
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1	REAL300025557121	0	36	-1.0	-53.27	332.05	3.11	-50.16
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(Cl)S1	REAL300025557122	0	29	-1.0	-39.16	283.27	0.69	-38.47
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025557123	0	36	-1.0	-40.15	317.91	-0.24	-40.39
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557124	0	46	-1.0	-42.03	383.49	1.89	-40.14
CC1=CC=CN=C1CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557125	0	49	-1.0	-37.27	387.72	0.79	-36.48
CC(CCNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557126	0	43	-1.0	-38.75	349.94	-0.19	-38.94
CC(C)(C)OC(=O)NC(CCC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557127	0	49	-1.0	-44.04	400.44	2.15	-41.89
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(CCC2)C1	REAL300025557128	0	48	-1.0	-40.88	379.82	2.79	-38.09
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025557129	0	49	-1.0	-42.02	402.07	-0.70	-42.72
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557130	0	47	-1.0	-43.77	372.24	2.49	-41.28
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025557131	0	51	-1.0	-40.48	392.17	0.60	-39.88
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025557132	0	40	-1.0	-38.60	324.07	1.05	-37.55
CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557133	0	51	-1.0	-42.75	407.85	1.53	-41.22
CC(C)(C)OC(=O)N1CCC(CC(F)F)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557134	0	50	-1.0	-38.73	387.53	3.01	-35.72
O=C(CON1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025557135	0	32	-1.0	-47.32	305.11	1.84	-45.48
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL300025557136	0	33	-1.0	-57.03	294.06	0.74	-56.29
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=CS1	REAL300025557137	0	20	-1.0	-38.42	230.83	-1.34	-39.76
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557138	0	41	-1.0	-43.25	336.18	1.85	-41.40
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025557139	0	37	-1.0	-36.90	330.29	3.76	-33.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL300025557140	0	30	-1.0	-36.76	283.70	2.08	-34.68
CC1=CC=CC=C1C(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025557141	0	46	-1.0	-36.25	357.99	5.87	-30.38
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC2=CC=CC=C21	REAL300025557142	0	44	-1.0	-39.60	360.01	6.99	-32.61
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025557143	0	44	0.0	-53.04	350.23	4.95	-48.09
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025557143	1	44	0.0	-54.27	351.15	4.93	-49.34
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C(=CC2=CC=CO2)SC1=S	REAL300025557144	0	36	-1.0	-46.28	341.85	2.61	-43.67
CC1=CC=C2C(=C1)CC(C(=O)NCC1=NC(=O)O[N-]1)S2(=O)=O	REAL300025557145	0	34	-1.0	-45.16	308.84	-0.44	-45.60
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1COC1=CC=CC=C1Cl	REAL300025557146	0	42	-1.0	-42.63	374.97	4.36	-38.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Br	REAL300025557147	0	24	-1.0	-36.41	256.34	2.22	-34.19
COC1=CC=CC=C1C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NO1	REAL300025557148	0	34	-1.0	-39.45	305.65	1.56	-37.89
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(C3=CC=CC=C3)C=C2)=NO1	REAL300025557149	0	43	-1.0	-39.74	375.24	6.12	-33.62
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(CC2=CC=CC=C2)=NO1	REAL300025557150	0	36	-1.0	-37.58	325.88	3.63	-33.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C(Br)=CC=C2N1	REAL300025557151	0	28	-1.0	-35.52	281.93	1.66	-33.86
COC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025557152	0	35	-1.0	-38.35	305.04	0.91	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300025557153	0	28	-1.0	-37.17	277.43	1.53	-35.64
CC1=C(Cl)C2=NC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025557154	0	32	-1.0	-36.81	291.92	2.61	-34.20
O=C(CN1C=CC2=CC=C(Br)C=C21)NCC1=NC(=O)O[N-]1	REAL300025557155	0	31	-1.0	-39.60	300.18	3.81	-35.79
CCC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C2=CC3=C(C=CS3)N21	REAL300025557156	0	39	-1.0	-48.25	355.15	3.69	-44.56
COC1=NN2C(=NN=C2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557157	0	35	-1.0	-43.03	316.62	-0.70	-43.73
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557158	0	46	-1.0	-35.46	366.39	0.85	-34.61
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557159	0	46	-1.0	-36.71	369.66	-0.01	-36.72
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300025557160	0	23	-2.0	-89.04	255.16	-3.08	-92.12
CNS(=O)(=O)C1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557161	0	29	-1.0	-38.68	309.88	-3.07	-41.75
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)S1	REAL300025557162	0	24	-1.0	-35.45	252.19	1.48	-33.97
COC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=C1	REAL300025557163	0	34	-1.0	-39.13	302.70	1.38	-37.75
CC(C)(C)OC(=O)NC(CC1CC=CCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557164	0	51	-1.0	-39.70	399.42	3.96	-35.74
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCOC1	REAL300025557165	0	48	-1.0	-39.48	376.93	0.12	-39.36
CC(C)(C)OC(=O)N1CCSC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557166	0	39	-1.0	-41.97	334.41	1.01	-40.96
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(C(F)(F)F)=NN1	REAL300025557167	0	24	-1.0	-32.72	263.20	-0.88	-33.60
O=C(CS(=O)(=O)CCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025557168	0	29	-1.0	-47.60	288.36	-2.18	-49.78
CN(C)C1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025557169	0	35	-1.0	-42.52	302.79	2.89	-39.63
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N2C=CC=CC2=N1	REAL300025557170	0	27	-1.0	-44.93	270.11	2.00	-42.93
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557171	0	50	-1.0	-42.31	388.58	3.94	-38.37
CC1=NC=C2C(=N1)CN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557172	0	46	-1.0	-41.88	380.12	2.09	-39.79
CC(C)=CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025557173	0	38	-1.0	-37.02	323.85	1.76	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=CC(C2CC2)=N1	REAL300025557174	0	38	-1.0	-45.47	329.26	4.97	-40.50
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1Br)C1CCCCC1	REAL300025557175	0	43	-1.0	-36.60	360.81	5.71	-30.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL300025557176	0	29	-1.0	-38.40	275.05	1.89	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL300025557177	0	29	-1.0	-36.35	281.44	1.95	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL300025557178	0	30	-1.0	-48.07	276.63	0.46	-47.61
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025557179	0	43	-1.0	-41.77	373.25	6.18	-35.59
COC1=C(Br)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557180	0	28	-1.0	-37.51	270.76	2.30	-35.21
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557181	0	43	-1.0	-45.33	364.52	2.50	-42.83
CC(C)(C)OC(=O)N1CC(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C1	REAL300025557182	0	44	-1.0	-44.25	373.05	-1.13	-45.38
CC(C)(C)OC(=O)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557183	0	36	-1.0	-36.17	314.73	0.13	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)NN=C1Br	REAL300025557184	0	21	-1.0	-35.84	248.15	-1.62	-37.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)[N-]N=C1Br	REAL300025557184	1	20	-2.0	-78.62	244.68	-1.77	-80.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)C2=CC(F)=CC=C2N=C1	REAL300025557185	0	32	-1.0	-36.41	293.86	2.34	-34.07
O=C(CCC1=NC(C2=CC=C(Br)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025557186	0	35	-1.0	-37.44	339.34	1.79	-35.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C(Br)=CS2	REAL300025557187	0	24	-1.0	-36.98	271.84	2.17	-34.81
CC(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025557188	0	34	-1.0	-39.44	302.18	2.45	-36.99
O=C(CC1=CN=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025557189	0	26	-1.0	-37.36	261.92	0.55	-36.81
COC1CC(C(=O)NCC2=NC(=O)O[N-]2)(N(C)C(=O)OC(C)(C)C)C1	REAL300025557190	0	48	-1.0	-43.28	383.91	1.54	-41.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300025557191	0	38	-1.0	-39.38	329.77	4.62	-34.76
O=C(CCC1=NC(C2=CC=CC(Br)=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025557192	0	35	-1.0	-38.73	339.34	1.78	-36.95
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1(C)C	REAL300025557193	0	51	-1.0	-41.63	381.08	0.85	-40.78
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2CCOCC2)C1	REAL300025557194	0	55	-1.0	-44.00	409.75	2.82	-41.18
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NC(=O)O[N-]2)CC[C@H](O)C1	REAL300025557195	0	45	-1.0	-44.49	359.88	-2.76	-47.25
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557196	0	50	-1.0	-43.35	381.44	3.91	-39.44
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1(C)CC1	REAL300025557197	0	44	-1.0	-35.60	360.09	0.72	-34.88
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL300025557198	0	43	-1.0	-42.79	343.26	0.74	-42.05
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557199	0	51	-1.0	-44.83	388.05	3.75	-41.08
CN(C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557200	0	50	-1.0	-37.81	403.90	5.02	-32.79
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557201	0	44	-1.0	-38.04	354.53	0.55	-37.49
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC(F)=C1	REAL300025557202	0	42	-1.0	-35.36	336.13	2.40	-32.96
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025557202	1	43	0.0	-52.14	336.95	4.52	-47.62
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025557202	1	43	0.0	-47.38	346.42	4.68	-42.70
CCN(C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557203	0	53	-1.0	-40.97	417.82	6.35	-34.62
CC(C)(C)OC(=O)N1CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557204	0	39	-1.0	-41.97	328.64	0.96	-41.01
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557205	0	53	-1.0	-34.69	397.50	2.23	-32.46
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557206	0	50	-1.0	-42.70	405.57	3.91	-38.79
CC(C)(C)OC(=O)NC(CCC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557207	0	49	-1.0	-46.25	399.76	2.12	-44.13
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557208	0	43	-1.0	-39.79	356.95	1.31	-38.48
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557209	0	42	-1.0	-39.01	340.73	1.94	-37.07
C=CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557210	0	41	-1.0	-35.55	338.26	-0.11	-35.66
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557211	0	41	-1.0	-37.23	333.22	-3.96	-41.19
CC(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025557212	0	33	-1.0	-49.54	300.52	1.41	-48.13
CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557213	0	50	-1.0	-42.69	405.57	3.91	-38.78
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557214	0	45	-1.0	-47.44	363.98	1.15	-46.29
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557215	0	48	-1.0	-44.51	373.76	1.34	-43.17
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCC1	REAL300025557216	0	53	-1.0	-40.84	413.32	2.96	-37.88
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557217	0	53	-1.0	-36.91	414.82	0.73	-36.18
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1C(F)(F)F	REAL300025557218	0	27	-1.0	-37.20	279.93	0.15	-37.05
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1Br	REAL300025557219	0	27	-1.0	-38.28	264.41	2.29	-35.99
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557220	0	44	-1.0	-41.30	349.96	1.95	-39.35
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025557221	0	50	-1.0	-35.35	382.35	2.03	-33.32
CC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557222	0	56	-1.0	-37.97	426.73	3.83	-34.14
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557223	0	45	-1.0	-41.94	354.22	2.65	-39.29
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025557224	0	51	-1.0	-38.10	393.11	3.40	-34.70
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557225	0	47	-1.0	-44.09	375.20	2.70	-41.39
O=C(NCC1=NC(=O)O[N-]1)C1(SC2=CC=C(Br)C=C2)CC1	REAL300025557226	0	32	-1.0	-36.53	312.78	4.08	-32.45
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025557227	0	51	-1.0	-46.30	394.07	3.73	-42.57
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025557228	0	48	-1.0	-43.34	386.33	2.82	-40.52
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557229	0	42	-1.0	-42.36	341.97	-1.14	-43.50
CC(C)(C)OC(=O)N1CCC2(CCOC2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557230	0	52	-1.0	-44.87	390.79	1.63	-43.24
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]2CCCC[C@@H]21	REAL300025557231	0	51	-1.0	-40.65	381.29	3.84	-36.81
COC(=O)C1=CC(OC)=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025557232	0	33	-1.0	-39.48	303.82	-0.74	-40.22
COC1=CC=C(C(C(=O)NCC2=NC(=O)O[N-]2)C2CCCCC2)C=C1	REAL300025557233	0	47	-1.0	-37.17	372.61	4.51	-32.66
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025557234	0	33	-1.0	-51.47	294.84	0.73	-50.74
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300025557235	0	34	-1.0	-35.99	291.64	2.83	-33.16
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN(CC2=CC=CC=C2)N=C1	REAL300025557236	0	45	-1.0	-39.27	384.11	3.52	-35.75
CC1=NN(C2=CC=CC=C2)C(C)=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557237	0	48	-1.0	-40.61	392.89	4.18	-36.43
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1C1=CC=C(F)C=C1	REAL300025557238	0	42	-1.0	-38.00	353.11	2.96	-35.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300025557239	0	34	-1.0	-39.56	307.70	1.43	-38.13
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C(C(F)F)=C1	REAL300025557240	0	32	-1.0	-53.65	301.42	1.38	-52.27
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=CC=C1	REAL300025557241	0	48	-1.0	-40.07	366.49	4.21	-35.86
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL300025557242	0	39	-1.0	-45.33	326.23	3.21	-42.12
CCC(C)C(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557243	0	38	-1.0	-44.53	316.11	2.35	-42.18
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1=CNC2=CC=CC=C12	REAL300025557244	0	40	-1.0	-53.19	346.16	2.96	-50.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300025557245	0	32	-1.0	-36.83	291.87	2.36	-34.47
CCCN1C(=O)CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CN=CN1C	REAL300025557246	0	47	-1.0	-39.95	372.56	3.62	-36.33
CC(C)(C)OC(=O)N1CC2(C1)SCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557247	0	46	-1.0	-43.21	381.11	2.30	-40.91
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557248	0	48	-1.0	-41.16	396.27	5.11	-36.05
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C2CCCCN21	REAL300025557249	0	40	-1.0	-45.80	318.26	2.67	-43.13
CC(C)[C@@H]1C[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025557250	0	43	-1.0	-35.91	341.03	5.09	-30.82
CC(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2S1	REAL300025557251	0	32	-1.0	-46.74	304.50	2.83	-43.91
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CSCN1C(=O)C1=CC=CC=C1	REAL300025557252	0	36	-1.0	-45.06	317.47	3.09	-41.97
COC1=CC=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL300025557253	0	36	-1.0	-38.31	304.09	0.94	-37.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(Cl)=C2N1	REAL300025557254	0	28	-1.0	-35.52	292.62	2.08	-33.44
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1Cl	REAL300025557255	0	31	-1.0	-35.09	289.58	2.06	-33.03
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300025557256	0	37	-1.0	-37.99	337.12	2.11	-35.88
CC1=CC=C(Br)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557257	0	27	-1.0	-39.67	271.23	2.08	-37.59
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1	REAL300025557258	0	35	-1.0	-38.57	316.87	1.77	-36.80
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)C=C1	REAL300025557259	0	38	-1.0	-40.40	331.84	2.36	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL300025557260	0	33	-1.0	-35.94	310.03	3.36	-32.58
COCCOCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025557261	0	38	-1.0	-43.04	337.21	-1.04	-44.08
COCCOCCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557262	0	38	-1.0	-37.79	332.38	-1.09	-38.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300025557263	0	40	-1.0	-37.91	345.41	6.29	-31.62
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL300025557264	0	30	-1.0	-42.32	287.69	0.81	-41.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300025557265	0	30	-1.0	-38.46	285.28	2.83	-35.63
COC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557266	0	44	-1.0	-40.06	386.50	2.25	-37.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL300025557267	0	30	-1.0	-38.90	283.60	1.82	-37.08
O=C(NCC1=NC(=O)O[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL300025557268	0	46	-1.0	-35.80	363.75	6.08	-29.72
CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C1=CC=CC=C1Cl	REAL300025557269	0	36	-1.0	-37.41	308.22	3.80	-33.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300025557270	0	28	-1.0	-34.67	273.32	0.92	-33.75
CN(C)C1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2O1	REAL300025557271	0	34	-1.0	-40.00	300.87	-0.48	-40.48
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300025557272	0	49	-1.0	-41.64	388.62	2.28	-39.36
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025557273	0	27	-1.0	-36.48	266.35	1.88	-34.60
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025557273	1	26	-2.0	-102.11	265.02	0.07	-102.04
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL300025557274	0	41	-1.0	-40.71	356.89	0.54	-40.17
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C(Br)=C1	REAL300025557275	0	28	-1.0	-35.57	289.50	0.87	-34.70
CC1=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL300025557276	0	27	-1.0	-42.50	264.62	-0.09	-42.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL300025557277	0	27	-1.0	-36.29	266.92	2.11	-34.18
CC(=O)NCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025557278	0	43	-1.0	-43.97	329.39	0.83	-43.14
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Br	REAL300025557279	0	21	-1.0	-35.35	250.52	1.27	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1F	REAL300025557280	0	23	-1.0	-36.11	241.72	-0.15	-36.26
CC1=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL300025557281	0	27	-1.0	-41.95	270.11	0.37	-41.58
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=C(Br)C=CC2=NS1	REAL300025557282	0	26	-1.0	-35.80	273.21	1.58	-34.22
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300025557283	0	30	-1.0	-38.85	282.96	-0.91	-39.76
O=C(CCOC1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025557284	0	31	-1.0	-39.61	301.81	2.12	-37.49
CS(C)(=O)=NC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025557285	0	30	-1.0	-58.84	291.60	-2.66	-61.50
O=C(NCC1=NC(=O)O[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025557286	0	39	-1.0	-45.82	346.56	2.26	-43.56
CC(C)CC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557287	0	43	-1.0	-46.47	336.18	3.34	-43.13
O=C(NCC1=NC(=O)O[N-]1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300025557288	0	33	-1.0	-45.94	285.92	-2.16	-48.10
O=C(NCC1=NC(=O)O[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL300025557289	0	41	-1.0	-36.68	318.55	5.08	-31.60
O=C(CC1=CC(O)=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025557290	0	28	-1.0	-38.58	278.07	-0.51	-39.09
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557291	0	45	-1.0	-42.44	370.99	1.56	-40.88
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(O)C1	REAL300025557292	0	42	-1.0	-41.50	346.35	-3.49	-44.99
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C(F)=C1F	REAL300025557293	0	24	-1.0	-35.96	264.25	1.66	-34.30
CC(C)(C)OC(=O)N1CSCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557294	0	42	-1.0	-42.21	345.69	2.24	-39.97
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557295	0	42	-1.0	-41.86	351.47	0.51	-41.35
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=C(Br)N=C2C=C1	REAL300025557296	0	26	-1.0	-35.99	264.70	1.26	-34.73
CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025557297	0	55	-1.0	-42.45	411.30	1.35	-41.10
COC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)COC1	REAL300025557298	0	36	-1.0	-36.95	301.52	0.36	-36.59
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1Br	REAL300025557299	0	31	-1.0	-42.71	301.68	2.83	-39.88
O=C(CN1CC(C(F)(F)F)CCC1=O)NCC1=NC(=O)O[N-]1	REAL300025557300	0	34	-1.0	-43.15	303.58	0.91	-42.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)S1	REAL300025557301	0	24	-1.0	-34.57	272.06	2.27	-32.30
O=C(C=CC1=CC(Cl)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025557302	0	28	-1.0	-36.68	290.66	3.27	-33.41
CN1C(=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C21	REAL300025557303	0	33	-1.0	-40.77	305.25	2.44	-38.33
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025557304	0	30	-1.0	-36.83	291.05	1.08	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCNC(=O)C2=C1	REAL300025557305	0	33	-1.0	-41.28	309.89	-1.06	-42.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(SC(Br)=C2)S1	REAL300025557306	0	24	-1.0	-34.73	272.27	2.26	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=CC=C1OC(F)F	REAL300025557307	0	28	-1.0	-41.05	283.87	1.04	-40.01
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300025557308	0	31	-1.0	-40.47	295.10	3.48	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL300025557309	0	36	-1.0	-42.09	321.39	-0.98	-43.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300025557310	0	36	-1.0	-40.04	325.40	-0.45	-40.49
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557311	0	38	-1.0	-47.10	338.09	-0.77	-47.87
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL300025557312	0	47	-1.0	-42.19	396.76	3.19	-39.00
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025557313	0	40	-1.0	-49.48	321.87	1.58	-47.90
CC1=CC(F)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557314	0	27	-1.0	-34.67	264.16	2.39	-32.28
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557315	0	38	-1.0	-38.23	342.17	1.36	-36.87
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H](C2CC2)C1	REAL300025557316	0	48	-1.0	-36.97	381.17	3.10	-33.87
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC[C@H]1C1CCC1	REAL300025557317	0	54	-1.0	-36.31	401.59	3.98	-32.33
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(=O)O[N-]1)CCC2	REAL300025557318	0	48	-1.0	-44.80	366.72	3.79	-41.01
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025557319	0	55	-1.0	-50.95	427.58	3.91	-47.04
CC1=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL300025557320	0	47	-1.0	-38.67	387.41	0.02	-38.65
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557321	0	48	-1.0	-38.73	400.94	1.02	-37.71
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557322	0	48	-1.0	-39.28	380.91	2.05	-37.23
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557323	0	45	-1.0	-35.62	358.77	5.34	-30.28
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300025557324	0	34	-1.0	-41.12	316.48	2.56	-38.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCCCCC2=C1	REAL300025557325	0	35	-1.0	-36.41	300.72	3.84	-32.57
COC(=O)CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557326	0	36	-1.0	-39.90	319.47	3.30	-36.60
CC(C)=CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025557327	0	37	-1.0	-35.02	321.26	4.50	-30.52
O=C(CC1=C(Br)N2C=CC=CC2=N1)NCC1=NC(=O)O[N-]1	REAL300025557328	0	30	-1.0	-44.44	293.27	2.63	-41.81
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1Br	REAL300025557329	0	24	-1.0	-39.60	256.88	1.51	-38.09
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2CC(F)(F)F)S1	REAL300025557330	0	34	-1.0	-38.34	324.49	3.78	-34.56
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025557331	0	35	-1.0	-35.65	286.73	-0.26	-35.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300025557332	0	35	-1.0	-37.91	315.34	4.10	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300025557333	0	34	-1.0	-37.21	311.95	4.98	-32.23
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557334	0	48	-1.0	-40.70	385.55	5.41	-35.29
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL300025557335	0	41	-1.0	-40.55	349.29	-0.39	-40.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)N1	REAL300025557336	0	25	-1.0	-34.15	266.65	0.77	-33.38
CC1=C(Cl)C=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557337	0	27	-1.0	-33.27	278.80	3.25	-30.02
COC1=NC=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557338	0	27	-1.0	-40.78	271.87	-1.81	-42.59
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300025557339	0	38	-1.0	-37.33	312.34	4.50	-32.83
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025557340	0	30	-1.0	-36.76	281.17	2.95	-33.81
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557341	0	51	-1.0	-39.56	400.04	3.64	-35.92
CCCC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025557342	0	30	-1.0	-34.72	297.39	2.95	-31.77
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025557343	0	28	-1.0	-35.84	280.42	2.60	-33.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CS2	REAL300025557344	0	25	-1.0	-35.89	266.44	0.66	-35.23
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025557345	0	28	-1.0	-35.58	277.06	2.32	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300025557346	0	34	-1.0	-38.74	300.56	1.53	-37.21
CCN1C=C(OC2=CN=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=N1	REAL300025557347	0	36	-1.0	-41.52	323.37	-0.97	-42.49
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL300025557348	0	34	-1.0	-39.31	305.93	1.19	-38.12
COC1=CC=CC=C1N1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557349	0	35	-1.0	-44.74	313.83	2.84	-41.90
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL300025557350	0	36	-1.0	-36.26	306.77	-0.24	-36.50
CC(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025557351	0	34	-1.0	-47.15	302.88	1.81	-45.34
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300025557352	0	39	-1.0	-42.69	339.27	2.73	-39.96
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]2CCC[C@@H]21	REAL300025557353	0	48	-1.0	-40.55	373.17	3.94	-36.61
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1C	REAL300025557354	0	30	-1.0	-37.01	277.53	2.77	-34.24
CC(C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025557355	0	43	-1.0	-43.16	357.89	4.42	-38.74
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025557356	0	42	-1.0	-36.64	334.68	2.91	-33.73
C[NH+](C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025557357	0	53	0.0	-58.98	403.48	2.94	-56.04
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557358	0	34	-1.0	-35.95	317.26	1.80	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300025557359	0	30	-1.0	-39.59	287.73	-0.43	-40.02
O=C(CN1C=NC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025557360	0	24	-1.0	-40.65	248.31	1.29	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCCC2=C1I	REAL300025557361	0	31	-1.0	-41.54	293.38	1.54	-40.00
CCS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557362	0	35	-1.0	-43.16	316.00	-1.35	-44.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2S1	REAL300025557363	0	27	-1.0	-38.19	280.27	3.02	-35.17
CC(C)(C)OC(=O)NC(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557364	0	47	-1.0	-35.81	378.27	1.88	-33.93
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025557365	0	53	-1.0	-40.27	402.85	3.05	-37.22
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025557366	0	51	-1.0	-40.51	401.14	3.16	-37.35
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025557367	0	47	-1.0	-37.23	366.08	2.83	-34.40
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300025557368	0	30	-1.0	-37.59	290.01	1.78	-35.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCN2CCOCC2)N=N1	REAL300025557369	0	39	-1.0	-43.39	332.11	-3.29	-46.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1F	REAL300025557370	0	26	-1.0	-36.36	261.16	0.34	-36.02
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557371	0	50	-1.0	-40.62	386.80	2.31	-38.31
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557372	0	48	-1.0	-39.54	384.35	3.18	-36.36
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1C1CCC1	REAL300025557373	0	54	-1.0	-40.17	396.03	4.16	-36.01
CC(C)(C)OC(=O)N1CCCC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557374	0	47	-1.0	-40.18	376.81	2.77	-37.41
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025557375	0	46	-1.0	-46.42	373.60	2.96	-43.46
CC(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025557376	0	52	-1.0	-43.95	399.21	3.91	-40.04
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C1	REAL300025557377	0	47	-1.0	-44.75	389.19	-0.39	-45.14
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557378	0	42	-1.0	-39.23	350.73	2.01	-37.22
COC1=CC=C([C@H](C)NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557379	0	51	-1.0	-46.27	413.81	2.94	-43.33
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025557380	0	56	-1.0	-38.51	411.28	4.30	-34.21
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC(F)(F)C1	REAL300025557381	0	44	-1.0	-35.70	362.13	0.80	-34.90
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025557382	0	52	-1.0	-47.15	418.86	2.73	-44.42
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025557383	0	55	-1.0	-40.07	426.22	3.57	-36.50
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557384	0	45	-1.0	-40.38	366.96	-0.97	-41.35
CC(C)(C)OC(=O)N1CCC2(CCOCC2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557385	0	55	-1.0	-44.09	400.36	2.22	-41.87
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557386	0	51	-1.0	-41.68	392.44	3.57	-38.11
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCC1=NC(=O)O[N-]1)CCCCC2	REAL300025557387	0	54	-1.0	-42.69	411.76	4.11	-38.58
CC1=NN(C)C=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557388	0	47	-1.0	-41.15	384.59	0.68	-40.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)N=C1C(F)(F)F	REAL300025557389	0	26	-1.0	-36.10	269.28	0.92	-35.18
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(CO)C1	REAL300025557390	0	45	-1.0	-43.42	367.17	-2.80	-46.22
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300025557391	0	29	-1.0	-38.72	280.43	2.66	-36.06
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(=O)CCCC2=N1	REAL300025557392	0	35	-1.0	-44.60	301.25	2.75	-41.85
O=C(NC(CC1=CC=CN=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025557393	0	43	-1.0	-40.53	366.83	2.08	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C(F)F)C=C(C3=CC=CC=C3)N2N=C1	REAL300025557394	0	39	-1.0	-46.36	360.54	4.42	-41.94
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1	REAL300025557395	0	40	-1.0	-38.90	340.79	4.41	-34.49
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2	REAL300025557396	0	41	-1.0	-37.50	350.52	5.50	-32.00
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557397	0	47	-1.0	-41.64	389.74	0.36	-41.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(Cl)C=C2N1	REAL300025557398	0	28	-1.0	-33.92	292.59	2.09	-31.83
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025557399	0	31	-1.0	-35.28	292.39	2.13	-33.15
N#CCCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557400	0	38	-1.0	-44.20	339.46	3.27	-40.93
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025557401	0	38	-1.0	-49.72	338.53	0.86	-48.86
C[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025557402	0	47	-1.0	-42.48	355.62	2.96	-39.52
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CCSC1	REAL300025557403	0	45	-1.0	-37.25	363.80	1.43	-35.82
CC(C)(C)OC(=O)NCC1=C(Cl)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557404	0	41	-1.0	-37.02	377.28	1.04	-35.98
C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025557405	0	47	-1.0	-37.00	370.77	2.51	-34.49
CC(C)(C)OC(=O)NCCSCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557406	0	41	-1.0	-41.56	356.78	-0.14	-41.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300025557407	0	34	-1.0	-36.92	301.34	4.25	-32.67
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300025557408	0	34	-1.0	-37.95	291.02	3.81	-34.14
O=C(CC1(N2C=NN=N2)CCSCC1)NCC1=NC(=O)O[N-]1	REAL300025557409	0	36	-1.0	-39.51	299.76	1.22	-38.29
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557410	0	37	-1.0	-40.89	327.97	1.21	-39.68
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557411	0	43	-1.0	-40.75	371.32	2.94	-37.81
CN1C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025557412	0	34	-1.0	-50.39	301.50	0.60	-49.79
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C2C=CC(Br)=CN21	REAL300025557413	0	26	-1.0	-41.48	264.85	1.93	-39.55
COC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025557414	0	27	-1.0	-36.69	264.11	-1.57	-38.26
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025557415	0	40	-1.0	-48.14	348.23	1.79	-46.35
CC(C)CC1=NN=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CC=CN12	REAL300025557416	0	38	-1.0	-57.11	324.72	4.32	-52.79
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL300025557417	0	26	-1.0	-41.92	270.80	-0.10	-42.02
CC(C)(C)OC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C12CCC2	REAL300025557418	0	47	-1.0	-37.91	367.38	3.59	-34.32
O=C(CC1CSC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025557419	0	36	-1.0	-43.69	314.64	2.94	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL300025557420	0	34	-1.0	-37.76	308.36	3.95	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=NC(C3CC3)=NS2)C=N1	REAL300025557421	0	33	-1.0	-40.02	318.06	3.56	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1CCS(=O)(=O)C1	REAL300025557422	0	39	-1.0	-44.81	322.66	-3.54	-48.35
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC=CC=C2NC1=O	REAL300025557423	0	35	-1.0	-40.64	298.95	0.56	-40.08
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300025557424	0	40	-1.0	-39.53	329.16	4.77	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300025557425	0	41	-1.0	-40.31	333.68	4.25	-36.06
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025557426	0	36	-1.0	-35.92	319.32	3.97	-31.95
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025557427	0	36	-1.0	-38.55	306.62	1.62	-36.93
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL300025557428	0	35	-1.0	-35.90	305.54	2.00	-33.90
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025557429	0	44	-1.0	-40.47	353.65	1.81	-38.66
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025557430	0	44	-1.0	-40.54	356.58	1.09	-39.45
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557431	0	44	-1.0	-38.40	356.37	1.79	-36.61
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025557432	0	54	-1.0	-43.28	410.58	3.80	-39.48
CC1=C(Br)C=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557433	0	27	-1.0	-39.16	268.36	0.20	-38.96
O=C(CSC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025557434	0	28	-1.0	-38.17	283.47	2.75	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025557435	0	30	-1.0	-52.86	301.97	2.13	-50.73
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025557435	1	29	-2.0	-82.07	298.74	1.69	-80.38
O=C(CC1COCCN1CC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025557436	0	36	-1.0	-36.67	302.89	-2.02	-38.69
C=C(F)C1(CC(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025557437	0	45	-1.0	-42.81	370.61	2.18	-40.63
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1	REAL300025557438	0	48	-1.0	-40.11	387.04	4.24	-35.87
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025557439	0	50	-1.0	-38.11	385.58	2.94	-35.17
C[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025557440	0	47	-1.0	-41.42	358.81	2.62	-38.80
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025557441	0	44	-1.0	-38.42	378.42	5.82	-32.60
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025557442	0	44	-1.0	-36.48	385.76	2.60	-33.88
C=CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025557443	0	51	-1.0	-37.90	385.22	3.17	-34.73
CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557444	0	51	-1.0	-42.60	397.92	3.64	-38.96
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557445	0	51	-1.0	-44.03	386.89	3.33	-40.70
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557446	0	43	-1.0	-40.19	367.38	2.82	-37.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL300025557447	0	34	-1.0	-40.97	321.97	3.21	-37.76
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557448	0	31	-1.0	-41.23	285.57	-5.78	-47.01
CC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025557449	0	27	-1.0	-34.24	274.58	2.66	-31.58
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557450	0	51	-1.0	-43.36	389.16	4.11	-39.25
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025557451	0	41	-1.0	-41.78	350.27	-0.53	-42.31
CC1CCC(C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025557452	0	47	-1.0	-43.27	365.93	3.10	-40.17
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300025557453	0	29	-1.0	-39.39	284.95	1.49	-37.90
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557454	0	51	-1.0	-38.32	408.25	3.89	-34.43
COC1C(F)CCC(C(=O)NCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025557455	0	48	-1.0	-41.55	383.54	1.55	-40.00
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC2CCC1C2	REAL300025557456	0	51	-1.0	-36.76	380.87	2.67	-34.09
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557457	0	46	-1.0	-34.46	350.38	0.65	-33.81
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=NN2C)=N1	REAL300025557458	0	34	-1.0	-42.14	307.24	-0.03	-42.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1SCC1=CC=CC=C1	REAL300025557459	0	38	-1.0	-37.36	354.92	6.44	-30.92
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025557460	0	30	-1.0	-38.99	286.45	1.49	-37.50
CCC1=NC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025557461	0	38	-1.0	-37.17	318.36	1.97	-35.20
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557462	0	43	-1.0	-39.39	364.63	-0.33	-39.72
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557463	0	44	-1.0	-47.06	357.58	1.88	-45.18
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025557464	0	54	-1.0	-43.92	401.21	5.65	-38.27
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557465	0	48	-1.0	-42.97	382.60	3.15	-39.82
CC1=CC(C)=CC(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557466	0	50	-1.0	-37.81	411.85	3.40	-34.41
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC=C1	REAL300025557467	0	51	-1.0	-44.86	409.56	4.26	-40.60
CC1=CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025557468	0	37	-1.0	-41.16	326.78	3.38	-37.78
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300025557469	0	38	-1.0	-36.40	298.02	4.40	-32.00
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300025557470	0	38	-1.0	-37.78	309.69	3.87	-33.91
O=C(CCC1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025557471	0	27	-1.0	-35.42	279.05	2.35	-33.07
CN1N=CC2=C1CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557472	0	48	-1.0	-49.67	385.44	2.26	-47.41
C[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025557473	0	47	-1.0	-39.04	366.45	2.65	-36.39
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557474	0	51	-1.0	-39.53	404.97	2.53	-37.00
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C(F)F)C1	REAL300025557475	0	44	-1.0	-43.32	368.86	0.81	-42.51
CN1C=CC(C23CC(CC2)C3C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025557476	0	38	-1.0	-41.54	315.96	2.27	-39.27
COC1=CC=C(Br)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557477	0	28	-1.0	-42.26	280.91	0.89	-41.37
CC(C)(C)C1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)C=C1	REAL300025557478	0	47	-1.0	-40.05	386.60	4.03	-36.02
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2CC2CC2)S1	REAL300025557479	0	38	-1.0	-38.65	338.38	4.92	-33.73
COC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)N(C(=O)OC(C)(C)C)C2=N1	REAL300025557480	0	48	-1.0	-46.35	398.17	1.97	-44.38
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557481	0	48	-1.0	-36.93	373.19	-0.83	-37.76
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557482	0	30	-1.0	-38.80	284.28	0.88	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300025557483	0	31	-1.0	-38.36	302.64	2.97	-35.39
CC1(C)CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025557484	0	39	-1.0	-36.36	327.46	3.05	-33.31
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)NCC1=NC(=O)O[N-]1	REAL300025557485	0	34	-1.0	-42.50	332.89	2.79	-39.71
O=C(CC(C1=CC=CC=C1F)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025557486	0	33	-1.0	-37.16	294.59	3.11	-34.05
CCOC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=NC=C1	REAL300025557487	0	33	-1.0	-41.60	306.46	0.82	-40.78
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557488	0	39	-1.0	-36.17	323.26	0.40	-35.77
CC(C)(C)OC(=O)N1CCC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)CC1	REAL300025557489	0	51	-1.0	-44.37	411.24	2.74	-41.63
COC(=O)CC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025557490	0	49	-1.0	-42.61	400.53	1.30	-41.31
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557491	0	45	-1.0	-44.26	363.63	2.73	-41.53
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025557492	0	49	-1.0	-42.58	393.92	3.82	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL300025557493	0	34	-1.0	-38.70	294.29	1.89	-36.81
CC(C)(C)OC(=O)N1CCC2(C(=O)NCC3=NC(=O)O[N-]3)CCCCCC12	REAL300025557494	0	54	-1.0	-41.28	387.49	4.19	-37.09
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL300025557495	0	50	-1.0	-41.51	372.65	2.72	-38.79
CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557496	0	51	-1.0	-41.33	418.90	2.22	-39.11
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557497	0	50	-1.0	-39.35	392.31	1.83	-37.52
CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557498	0	51	-1.0	-41.32	418.89	2.21	-39.11
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C1	REAL300025557499	0	48	-1.0	-43.53	389.58	3.25	-40.28
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557500	0	53	-1.0	-38.23	395.36	3.48	-34.75
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300025557501	0	35	-1.0	-38.78	299.59	3.72	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300025557502	0	30	-1.0	-47.99	282.42	-5.85	-53.84
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300025557503	0	34	-1.0	-37.76	304.26	3.65	-34.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C(Br)O1	REAL300025557504	0	27	-1.0	-35.95	270.29	1.13	-34.82
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557505	0	38	-1.0	-42.18	304.47	2.01	-40.17
CC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C1(CCOCC1)O2	REAL300025557506	0	40	-1.0	-36.01	314.58	-0.25	-36.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300025558507	0	43	-1.0	-50.20	371.62	-0.90	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300025558508	0	45	-1.0	-48.98	380.37	1.54	-47.44
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558509	0	44	-1.0	-49.36	379.99	1.26	-48.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCCC2)C=C1	REAL300025558510	0	48	-1.0	-49.45	394.66	2.44	-47.01
CC1=CC(Br)=CC=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558511	0	34	-1.0	-46.36	326.24	3.87	-42.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1=O	REAL300025558512	0	32	-1.0	-48.33	290.14	3.00	-45.33
CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558513	0	41	-1.0	-48.37	345.63	2.58	-45.79
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558514	0	33	-1.0	-54.38	298.70	2.28	-52.10
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558515	0	43	-1.0	-47.28	356.71	6.12	-41.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1Cl	REAL300025558516	0	27	-1.0	-43.12	268.50	2.16	-40.96
COC1=CC(OC)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558517	0	39	-1.0	-50.86	329.18	1.36	-49.50
O=C(COC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558518	0	34	-1.0	-51.80	315.56	3.11	-48.69
COC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558519	0	42	-1.0	-47.84	360.89	-0.76	-48.60
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558520	0	46	-1.0	-45.29	378.39	2.35	-42.94
CC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558521	0	38	-1.0	-51.45	343.45	-1.41	-52.86
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558522	0	43	-1.0	-52.25	373.41	5.36	-46.89
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025558523	0	37	-1.0	-55.07	326.67	2.63	-52.44
O=C(NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl)C1=CC=CS1	REAL300025558524	0	38	-1.0	-54.69	361.26	3.18	-51.51
O=C(NCCC1=NC(=O)O[N-]1)C1=NNC(=O)C2=CC=CC=C21	REAL300025558525	0	32	-1.0	-43.41	286.84	-0.60	-44.01
O=C(COC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558526	0	31	-1.0	-51.13	309.61	3.15	-47.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025558527	0	27	-1.0	-47.65	259.57	2.16	-45.49
O=C(CN1C=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558528	0	35	-1.0	-57.07	313.57	2.72	-54.35
O=C(C=CC1=CC=C(OC(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558529	0	35	-1.0	-48.44	317.00	2.32	-46.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1	REAL300025558530	0	42	-1.0	-52.21	381.56	-0.31	-52.52
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558531	0	37	-1.0	-44.64	340.98	1.03	-43.61
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558532	0	34	-1.0	-44.72	334.15	1.01	-43.71
COC1=CC=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558533	0	38	-1.0	-47.52	331.75	-0.67	-48.19
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558534	0	37	-1.0	-47.20	328.29	-1.30	-48.50
COC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025558535	0	46	-1.0	-47.44	394.06	-0.82	-48.26
O=C(CNC(=O)C1=CC=C(Br)O1)NCCC1=NC(=O)O[N-]1	REAL300025558536	0	31	-1.0	-45.61	308.19	-1.24	-46.85
COC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1	REAL300025558537	0	42	-1.0	-48.48	361.21	-1.36	-49.84
CCOC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558538	0	41	-1.0	-45.84	353.53	0.28	-45.56
CCOC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025558539	0	41	-1.0	-46.28	339.11	1.36	-44.92
O=C(CCN1C2=CC=CC=C2SC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558540	0	44	-1.0	-48.05	374.36	6.09	-41.96
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558541	0	43	-1.0	-43.25	360.83	2.32	-40.93
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558542	0	40	-1.0	-46.20	337.56	3.37	-42.83
O=C(CCSC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558543	0	34	-1.0	-45.53	323.13	3.93	-41.60
CC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025558544	0	39	-1.0	-46.16	346.41	1.21	-44.95
CCOC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025558545	0	40	-1.0	-49.54	348.01	2.20	-47.34
O=C(CCN1C(=O)C2CCCCC2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558546	0	43	-1.0	-49.48	356.96	1.89	-47.59
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2CC=CCC2C1=O	REAL300025558547	0	50	-1.0	-49.91	400.68	5.36	-44.55
CSCC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2CCCCC2C1=O	REAL300025558548	0	47	-1.0	-50.19	393.35	4.42	-45.77
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025558549	0	33	-1.0	-52.10	306.03	3.41	-48.69
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCCC1	REAL300025558550	0	48	-1.0	-54.52	383.58	1.83	-52.69
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025558551	0	45	-1.0	-47.49	378.23	6.26	-41.23
COC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025558552	0	46	-1.0	-48.42	386.27	4.88	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NC2=CC=CC=C21	REAL300025558553	0	39	-1.0	-47.26	341.80	3.71	-43.55
CC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558554	0	46	-1.0	-48.86	387.02	-0.20	-49.06
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300025558555	0	46	-1.0	-55.50	377.29	-0.53	-56.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)N2CCCCC2)=C1	REAL300025558556	0	45	-1.0	-52.48	381.13	1.41	-51.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300025558557	0	41	-1.0	-48.01	354.36	4.08	-43.93
O=C(CC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558558	0	30	-1.0	-46.78	289.22	2.84	-43.94
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558559	0	31	-1.0	-48.84	324.77	3.61	-45.23
COC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558560	0	38	-1.0	-46.06	331.68	-0.66	-46.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=CC=C21	REAL300025558561	0	33	-1.0	-46.24	290.10	0.62	-45.62
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025558562	0	44	-1.0	-52.92	377.10	1.01	-51.91
O=C(COC1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558563	0	45	-1.0	-51.63	388.11	5.37	-46.26
O=C(CCSC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558564	0	34	-1.0	-44.82	324.85	4.00	-40.82
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CO1	REAL300025558565	0	44	-1.0	-47.50	378.38	2.35	-45.15
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025558566	0	44	-1.0	-45.91	386.27	3.34	-42.57
CC1CC(C)CN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])C1	REAL300025558567	0	50	-1.0	-51.99	400.75	6.14	-45.85
O=C(CCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025558568	0	35	-1.0	-48.15	320.99	2.45	-45.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300025558569	0	41	-1.0	-51.78	369.13	6.59	-45.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=C(C(F)(F)F)C=C1	REAL300025558570	0	40	-1.0	-47.50	356.26	6.11	-41.39
CC1=CC=C(SCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025558571	0	40	-1.0	-46.19	346.52	4.69	-41.50
O=C(C=CC1=CC=C(OC(F)F)C=C1OC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025558572	0	39	-1.0	-51.82	354.44	1.93	-49.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300025558573	0	41	-1.0	-48.08	354.57	4.82	-43.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300025558574	0	41	-1.0	-50.43	354.55	4.81	-45.62
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300025558575	0	44	-1.0	-47.62	369.99	6.37	-41.25
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558576	0	35	-1.0	-54.43	319.61	0.13	-54.30
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558577	0	44	-1.0	-59.67	380.55	2.59	-57.08
COCCNC(=O)CSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558578	0	45	-1.0	-59.66	393.52	0.86	-58.80
CCOC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558579	0	38	-1.0	-50.64	328.20	2.31	-48.33
CC1SC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=O	REAL300025558580	0	36	-1.0	-47.97	322.71	1.27	-46.70
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558581	0	36	-1.0	-61.93	324.55	3.61	-58.32
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC#N	REAL300025558582	0	40	-1.0	-55.43	357.68	2.64	-52.79
O=C(CCC(=O)C1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558583	0	41	-1.0	-48.10	353.99	2.01	-46.09
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300025558584	0	33	-1.0	-42.45	318.66	3.09	-39.36
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025558585	0	32	-1.0	-53.34	310.52	-2.96	-56.30
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025558586	0	46	-1.0	-54.17	385.67	5.05	-49.12
CC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1	REAL300025558587	0	40	-1.0	-45.95	345.09	1.36	-44.59
CCOC1=CC=CC=C1C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558588	0	41	-1.0	-49.08	351.45	1.51	-47.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1	REAL300025558589	0	41	-1.0	-47.68	371.30	5.34	-42.34
O=C(CNC(=O)C1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558590	0	34	-1.0	-45.86	308.69	0.10	-45.76
O=C(C=CC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558591	0	31	-1.0	-46.81	299.14	3.36	-43.45
CCOC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558592	0	48	-1.0	-47.50	404.60	1.07	-46.43
CC1=NN(C2=CC=C(Cl)C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C(C)=C1	REAL300025558593	0	39	-1.0	-45.30	354.48	3.97	-41.33
CCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025558594	0	38	-1.0	-44.07	329.14	1.90	-42.17
O=C(CSC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558595	0	31	-1.0	-46.68	303.17	3.20	-43.48
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025558596	0	36	-1.0	-53.35	331.61	3.17	-50.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300025558597	0	41	-1.0	-50.21	337.97	4.02	-46.19
O=C(CCOC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558598	0	34	-1.0	-44.41	319.09	2.47	-41.94
CCN1C2=CC=CC=C2N=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558599	0	40	-1.0	-48.15	359.15	4.21	-43.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL300025558600	0	38	-1.0	-50.71	320.92	2.66	-48.05
CC1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025558601	0	44	-1.0	-50.48	358.97	4.61	-45.87
CC(C)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558602	0	40	-1.0	-48.88	336.24	3.25	-45.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300025558603	0	43	-1.0	-45.58	345.10	5.33	-40.25
CC(C)OCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558604	0	40	-1.0	-46.81	340.50	2.99	-43.82
CN1C(=O)NC(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025558605	0	35	-1.0	-49.16	312.54	-0.96	-50.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)C3=CC=CC=C3S(=O)(=O)C2=C1	REAL300025558606	0	40	-1.0	-54.94	363.79	1.31	-53.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300025558607	0	41	-1.0	-52.75	346.80	3.80	-48.95
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025558608	0	41	-1.0	-47.74	349.95	5.50	-42.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300025558609	0	41	-1.0	-46.69	356.31	5.56	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300025558610	0	33	-1.0	-43.23	321.07	3.55	-39.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025558611	0	31	-1.0	-43.74	289.20	1.34	-42.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21	REAL300025558612	0	41	-1.0	-48.09	351.82	3.79	-44.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300025558613	0	39	-1.0	-46.27	349.62	4.64	-41.63
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025558614	0	40	-1.0	-47.07	364.58	4.63	-42.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300025558615	0	42	-1.0	-49.54	365.19	0.68	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NC2=CC=CC=C21	REAL300025558616	0	42	-1.0	-47.25	363.23	5.65	-41.60
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558617	0	42	-1.0	-49.78	358.51	0.71	-49.07
O=C(CCCC1=CNC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025558618	0	40	-1.0	-51.18	342.74	3.86	-47.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025558619	0	27	-1.0	-46.84	264.60	2.15	-44.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025558620	0	27	-1.0	-44.30	264.59	2.16	-42.14
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558621	0	38	-1.0	-53.27	338.85	-0.47	-53.74
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025558622	0	38	-1.0	-54.96	342.40	-1.69	-56.65
CCCCCC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558623	0	50	-1.0	-44.96	416.93	6.63	-38.33
COC1=CC(OC)=CC(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025558624	0	51	-1.0	-47.10	413.44	0.90	-46.20
CCOC(=O)C1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1	REAL300025558625	0	40	-1.0	-48.21	349.76	1.89	-46.32
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025558626	0	39	-1.0	-49.66	346.22	2.23	-47.43
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558627	0	43	-1.0	-49.05	369.54	2.34	-46.71
CC(=O)C1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558628	0	42	-1.0	-54.94	361.89	3.12	-51.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1	REAL300025558629	0	41	-1.0	-57.34	358.44	4.20	-53.14
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025558630	0	41	-1.0	-48.17	341.68	2.28	-45.89
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCCC(C)C	REAL300025558631	0	47	-1.0	-47.86	384.34	3.77	-44.09
CCCCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558632	0	50	-1.0	-47.89	409.77	4.81	-43.08
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CC=C1	REAL300025558633	0	45	-1.0	-49.53	383.68	4.73	-44.80
O=C(CN1C(=O)COC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558634	0	36	-1.0	-54.09	314.43	0.99	-53.10
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558635	0	38	-1.0	-52.93	345.80	-1.38	-54.31
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025558636	0	47	-1.0	-50.65	388.18	0.58	-50.07
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558637	0	50	-1.0	-51.72	420.29	0.89	-50.83
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025558638	0	48	-1.0	-54.03	393.55	4.87	-49.16
O=C(CCCNS(=O)(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558639	0	41	-1.0	-52.85	371.97	-0.56	-53.41
CSCCC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025558640	0	44	-1.0	-54.92	391.70	4.94	-49.98
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558641	0	44	-1.0	-51.13	376.32	6.59	-44.54
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025558642	0	45	-1.0	-49.28	376.22	3.49	-45.79
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2Cl)C1	REAL300025558643	0	41	-1.0	-48.54	359.81	3.22	-45.32
CCC1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025558644	0	44	-1.0	-49.62	365.96	4.36	-45.26
CC1=CC(NC(=O)CSCC(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025558645	0	37	-1.0	-57.58	342.03	1.04	-56.54
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558646	0	43	-1.0	-51.70	383.02	-0.93	-52.63
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025558647	0	33	-1.0	-54.20	313.72	-0.55	-54.75
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558648	0	36	-1.0	-51.79	320.05	-0.26	-52.05
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558649	0	36	-1.0	-54.32	324.76	-2.94	-57.26
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558650	0	40	-1.0	-59.73	362.52	-1.70	-61.43
N#CCCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558651	0	39	-1.0	-56.56	361.76	-0.94	-57.50
CCN1N=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025558652	0	35	-1.0	-52.55	309.03	0.87	-51.68
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025558653	0	44	-1.0	-43.95	385.37	3.82	-40.13
CN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558654	0	37	-1.0	-52.74	323.70	2.80	-49.94
CC1=CC=C(NC(=O)CSCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558655	0	41	-1.0	-59.12	367.37	2.53	-56.59
O=C(CCC(=O)C1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558656	0	44	-1.0	-47.95	372.32	2.81	-45.14
CCOC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025558657	0	42	-1.0	-49.48	368.07	3.15	-46.33
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558658	0	41	-1.0	-58.88	370.67	2.47	-56.41
CCCOC1=C(Cl)C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558659	0	48	-1.0	-46.67	421.66	5.27	-41.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300025558660	0	38	-1.0	-45.80	339.32	2.98	-42.82
CCCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558661	0	44	-1.0	-43.89	386.76	3.93	-39.96
CC1=CC(NC(=O)C(C)SCC(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025558662	0	40	-1.0	-56.79	360.58	1.60	-55.19
CC1=CC=C(NC(=O)CSC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558663	0	44	-1.0	-58.81	385.82	3.08	-55.73
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558664	0	34	-2.0	-98.26	311.11	-1.39	-99.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1	REAL300025558665	0	40	-1.0	-53.39	370.10	1.16	-52.23
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558666	0	35	-1.0	-50.87	328.43	-2.01	-52.88
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558667	0	38	-1.0	-51.49	350.48	-1.37	-52.86
CC1=CC=CC=C1C(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025558668	0	46	-1.0	-44.38	373.73	3.33	-41.05
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558669	0	44	-1.0	-52.76	380.21	0.32	-52.44
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025558670	0	47	-1.0	-49.68	382.62	0.50	-49.18
O=C(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558671	0	35	-1.0	-51.44	353.95	-1.10	-52.54
O=C(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558672	0	38	-1.0	-53.28	361.11	-1.07	-54.35
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025558673	0	35	-1.0	-51.03	320.36	-2.32	-53.35
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558674	0	38	-1.0	-54.08	344.91	-1.39	-55.47
CCCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558675	0	48	-1.0	-48.98	401.67	4.59	-44.39
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025558676	0	36	-1.0	-52.49	332.74	3.31	-49.18
CCC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558677	0	41	-1.0	-45.10	352.43	4.29	-40.81
CCOC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558678	0	49	-1.0	-47.59	411.84	3.91	-43.68
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1C	REAL300025558679	0	38	-1.0	-45.65	320.93	0.96	-44.69
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558680	0	39	-1.0	-57.10	352.58	1.33	-55.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(Br)S1	REAL300025558681	0	24	-1.0	-41.94	277.15	1.84	-40.10
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558682	0	44	-1.0	-57.90	364.73	2.35	-55.55
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558683	0	41	-1.0	-48.43	348.08	2.22	-46.21
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025558684	0	51	-1.0	-55.09	389.21	2.60	-52.49
O=C(CCNS(=O)(=O)C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025558685	0	35	-1.0	-52.67	336.00	-2.43	-55.10
COC1=CC=CC(N2C(C)=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558686	0	44	-1.0	-51.94	396.77	4.48	-47.46
COC1=CC=CC=C1N1C(C)=NN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558687	0	44	-1.0	-51.92	396.58	4.60	-47.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025558688	0	42	-1.0	-50.03	374.38	1.47	-48.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025558688	1	41	-2.0	-92.26	371.66	1.49	-90.77
O=C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558689	0	41	-1.0	-52.32	367.98	0.20	-52.12
CC1CCCCC12NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025558690	0	45	-1.0	-53.02	359.44	0.62	-52.40
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025558691	0	34	-2.0	-104.54	329.33	-2.19	-106.73
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025558691	1	35	-1.0	-54.06	330.55	-1.81	-55.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025558692	0	42	-1.0	-57.92	378.37	1.36	-56.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025558692	1	41	-2.0	-98.84	371.84	1.49	-97.35
NC(=O)C1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025558693	0	37	-1.0	-63.99	344.34	-0.02	-64.01
CC(C)CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025558694	0	44	-1.0	-43.58	364.80	3.17	-40.41
CCCCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025558695	0	47	-1.0	-43.64	393.64	4.21	-39.43
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1	REAL300025558696	0	44	-1.0	-52.47	367.15	1.62	-50.85
CCOC1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025558697	0	45	-1.0	-53.24	381.71	3.07	-50.17
CNC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558698	0	34	-1.0	-52.87	301.01	1.20	-51.67
CC(C)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558699	0	40	-1.0	-45.97	337.98	4.65	-41.32
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025558700	0	44	-1.0	-50.63	380.58	3.33	-47.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300025558701	0	38	-1.0	-49.92	330.39	2.02	-47.90
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558702	0	35	-1.0	-49.97	313.54	-2.83	-52.80
NS(=O)(=O)C1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558703	0	32	-1.0	-50.70	313.73	-2.88	-53.58
NS(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558704	0	32	-1.0	-53.52	302.06	-3.43	-56.95
CC1=CC=C(S(=O)(=O)NCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025558705	0	47	-1.0	-53.59	403.99	0.57	-53.02
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558706	0	34	-1.0	-47.67	329.65	4.16	-43.51
CCOC1=C(Cl)C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558707	0	42	-1.0	-47.12	378.31	3.55	-43.57
CCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558708	0	41	-1.0	-44.00	365.26	3.15	-40.85
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCCC(C)C	REAL300025558709	0	47	-1.0	-43.85	404.33	4.45	-39.40
CCCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558710	0	47	-1.0	-43.73	408.61	4.86	-38.87
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558711	0	40	-1.0	-56.40	364.77	-1.59	-57.99
O=C(C=CC1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025558712	0	28	-1.0	-44.20	289.71	2.55	-41.65
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558713	0	35	-1.0	-52.81	328.43	-2.01	-54.82
O=C(CN1C=CC(C(F)(F)F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025558714	0	30	-1.0	-56.73	289.49	0.63	-56.10
CC1=CC=C(C)N1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558715	0	41	-1.0	-45.65	351.26	5.59	-40.06
O=C(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558716	0	35	-1.0	-51.21	344.17	-0.83	-52.04
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558716	1	34	-2.0	-98.30	344.44	-1.16	-99.46
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558717	0	45	-1.0	-56.76	400.14	-2.54	-59.30
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558718	0	45	-1.0	-63.41	398.68	-1.17	-64.58
CCC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025558719	0	44	-1.0	-55.53	365.46	3.94	-51.59
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558720	0	44	-1.0	-51.84	380.79	6.40	-45.44
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025558721	0	53	-1.0	-56.30	400.63	1.27	-55.03
CC1=CC=CC(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)=C1	REAL300025558722	0	41	-1.0	-44.50	354.03	2.85	-41.65
O=C(C=CC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558723	0	31	-1.0	-45.52	299.13	3.36	-42.16
O=C(CCSC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558724	0	34	-1.0	-45.27	314.52	3.55	-41.72
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558725	0	43	-1.0	-52.82	372.41	1.46	-51.36
CC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025558726	0	37	-1.0	-47.46	326.36	3.92	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)NC1=O	REAL300025558727	0	36	-1.0	-60.00	311.01	0.30	-59.70
NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558728	0	38	-1.0	-61.98	355.57	-2.93	-64.91
CC1=CC=C2C(=O)N(CC(=O)NCCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025558729	0	37	-1.0	-54.34	334.53	2.07	-52.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=NN=N2)C=CS1	REAL300025558730	0	29	-1.0	-59.91	277.13	1.09	-58.82
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558731	0	41	-1.0	-48.33	354.10	0.25	-48.08
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025558732	0	42	-1.0	-56.19	361.01	-0.58	-56.77
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558733	0	39	-1.0	-53.75	353.73	-0.90	-54.65
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558734	0	32	-1.0	-51.18	297.44	-3.50	-54.68
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558735	0	35	-1.0	-50.06	332.41	-1.78	-51.84
CN(C)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025558736	0	38	-1.0	-52.52	345.44	-0.20	-52.72
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558737	0	44	-1.0	-53.36	366.05	-0.52	-53.88
CCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558738	0	38	-1.0	-53.88	340.92	-1.45	-55.33
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558739	0	41	-1.0	-49.76	360.10	-0.80	-50.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300025558740	0	42	-1.0	-56.04	381.58	-0.32	-56.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CCCO2)=C1	REAL300025558741	0	46	-1.0	-56.12	397.78	-1.18	-57.30
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558742	0	44	-1.0	-49.27	366.01	-0.49	-49.76
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025558743	0	48	-1.0	-49.12	400.71	2.15	-46.97
COC1=CC=C(S(=O)(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558744	0	40	-1.0	-51.32	358.08	-0.65	-51.97
O=C(CCS(=O)(=O)C1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558745	0	42	-1.0	-53.22	373.08	-0.80	-54.02
CC(OC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558746	0	35	-1.0	-50.79	314.27	3.13	-47.66
CCOC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025558747	0	38	-1.0	-45.92	348.09	3.79	-42.13
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025558748	0	46	-1.0	-55.86	395.59	0.62	-55.24
CNS(=O)(=O)C1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025558749	0	43	-1.0	-56.26	374.40	-1.22	-57.48
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558750	0	45	-1.0	-45.43	372.29	5.34	-40.09
CN1C=NC2=C1C(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)N2C	REAL300025558751	0	39	-1.0	-57.64	341.49	2.55	-55.09
O=C(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558752	0	38	-1.0	-50.99	356.78	-1.31	-52.30
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558753	0	42	-1.0	-45.72	355.09	4.76	-40.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1	REAL300025558754	0	41	-1.0	-50.82	359.01	-2.33	-53.15
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558755	0	34	-1.0	-46.07	316.54	3.74	-42.33
CC(C)(C)C1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025558756	0	58	-1.0	-45.33	439.86	5.73	-39.60
CCC1(CC)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025558757	0	41	-1.0	-53.25	344.98	0.07	-53.18
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1O	REAL300025558758	0	35	-1.0	-44.64	321.34	0.15	-44.49
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1[O-]	REAL300025558758	1	34	-2.0	-88.64	317.77	1.08	-87.56
CC1=CC=C(C)C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)=C1	REAL300025558759	0	44	-1.0	-44.65	372.77	3.83	-40.82
CCN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CO1	REAL300025558760	0	40	-1.0	-49.68	366.82	3.70	-45.98
CCN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CS1	REAL300025558761	0	40	-1.0	-48.93	373.32	4.45	-44.48
CSCCC(NC(=O)C1=CC=CO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558762	0	41	-1.0	-46.39	364.45	0.74	-45.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CC=C3)C(=O)C2=C1	REAL300025558763	0	44	-1.0	-50.24	390.89	4.83	-45.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1	REAL300025558764	0	41	-1.0	-52.50	371.64	2.96	-49.54
O=C(CSCC(=O)N1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025558765	0	39	-1.0	-58.38	340.75	-0.26	-58.64
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558766	0	38	-1.0	-50.81	360.80	-0.91	-51.72
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558767	0	46	-1.0	-49.27	369.65	5.06	-44.21
O=C(NCC1=CC=CC=C1)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025558768	0	49	-1.0	-55.22	400.41	1.96	-53.26
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558769	0	45	-1.0	-51.52	397.75	-1.98	-53.50
CC1=NN=C(SCC(=O)NCCC2=NC(=O)O[N-]2)N1CC1=CC=CC=C1	REAL300025558770	0	43	-1.0	-50.61	383.23	5.47	-45.14
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558771	0	39	-1.0	-48.84	350.03	1.54	-47.30
CC1=CC=CC(C(=O)NC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558772	0	40	-1.0	-46.15	343.24	1.55	-44.60
CC(OC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558773	0	34	-1.0	-48.37	314.78	3.35	-45.02
CC1=CC(Br)=CC(Cl)=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558774	0	34	-1.0	-47.42	338.18	4.09	-43.33
O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025558775	0	51	-1.0	-43.78	381.84	2.61	-41.17
CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025558776	0	51	-1.0	-52.86	401.27	1.62	-51.24
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558777	0	44	-1.0	-47.92	385.43	5.08	-42.84
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558778	0	41	-1.0	-45.69	380.98	4.93	-40.76
CC1=CC=C(C)C(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558779	0	40	-1.0	-46.39	339.28	3.27	-43.12
COC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558780	0	38	-1.0	-46.31	327.30	1.13	-45.18
O=C(COC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558781	0	31	-1.0	-48.85	298.14	2.73	-46.12
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558782	0	41	-1.0	-51.02	351.01	5.52	-45.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2CCCO2)C=C1	REAL300025558783	0	46	-1.0	-51.11	397.82	-1.14	-52.25
CCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558784	0	38	-1.0	-50.00	340.90	-1.44	-51.44
C=CCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558785	0	39	-1.0	-49.85	353.71	-0.89	-50.74
CSC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558786	0	39	-1.0	-45.41	348.45	3.83	-41.58
CC1CCCCN1S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558787	0	48	-1.0	-53.11	387.51	2.09	-51.02
O=C(CCNS(=O)(=O)C1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558788	0	48	-1.0	-52.37	406.80	1.06	-51.31
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025558789	0	48	-1.0	-46.77	419.91	5.02	-41.75
CCCOC1=C(Cl)C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558790	0	45	-1.0	-46.89	399.81	4.35	-42.54
O=C(C=CC1=CC=C(F)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558791	0	31	-1.0	-45.64	300.41	3.30	-42.34
O=C(C=CC1=CC=C(Br)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558792	0	31	-1.0	-45.09	313.93	3.81	-41.28
CC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558793	0	48	-1.0	-48.63	387.48	2.10	-46.53
CC(OC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558794	0	34	-1.0	-47.75	310.21	3.24	-44.51
O=C(C=CC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025558795	0	31	-1.0	-48.68	296.12	3.24	-45.44
O=C(C=CC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558796	0	31	-1.0	-46.69	308.63	3.66	-43.03
CCOC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025558797	0	41	-1.0	-50.29	338.81	1.38	-48.91
O=C(COC1=CC=C(Br)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025558798	0	31	-1.0	-52.73	304.37	2.79	-49.94
CC(C)C1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558799	0	40	-1.0	-50.01	335.46	4.08	-45.93
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558800	0	47	-1.0	-47.95	388.63	4.16	-43.79
CCCCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558801	0	51	-1.0	-48.93	423.17	5.37	-43.56
O=C(C=CC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025558802	0	33	-1.0	-46.72	312.77	2.46	-44.26
O=C(C=CC1=NC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558803	0	36	-1.0	-47.92	321.62	3.36	-44.56
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025558804	0	48	-1.0	-47.08	393.89	7.47	-39.61
CCC(C)C1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025558805	0	50	-1.0	-52.63	398.25	5.92	-46.71
O=C(CNC(=O)CC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558806	0	43	-1.0	-48.03	369.57	2.84	-45.19
O=C(CCNC(=O)C1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558807	0	37	-1.0	-54.93	345.69	1.29	-53.64
O=C(CCNS(=O)(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558808	0	38	-1.0	-52.30	344.07	-1.43	-53.73
COC1=CC=C(C=CC(=O)NC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558809	0	45	-1.0	-47.00	385.78	1.38	-45.62
O=C(COC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558810	0	31	-1.0	-49.93	312.85	3.31	-46.62
CC1=C(C)C2=C(SCC(=O)NCCC3=NC(=O)O[N-]3)N=C(C)N=C2S1	REAL300025558811	0	41	-1.0	-47.43	370.65	3.16	-44.27
CCCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558812	0	45	-1.0	-49.11	379.81	3.67	-45.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)C3=CC=CC=C3C2=O)=C1	REAL300025558813	0	44	-1.0	-55.45	390.95	4.80	-50.65
O=C(CCC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558814	0	33	-1.0	-45.17	310.62	3.64	-41.53
COC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025558815	0	42	-1.0	-48.85	370.64	-0.49	-49.34
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025558816	0	39	-1.0	-47.16	356.46	2.60	-44.56
CCN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC=C1C	REAL300025558817	0	46	-1.0	-49.30	402.49	5.80	-43.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCS2)C=C1	REAL300025558818	0	36	-1.0	-47.15	330.15	4.52	-42.63
CS(=O)(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558819	0	36	-1.0	-58.36	328.33	-0.27	-58.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=NN=N2)=C1	REAL300025558820	0	32	-1.0	-60.10	291.61	1.71	-58.39
CCN1C(=O)C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025558821	0	39	-1.0	-53.64	337.77	1.15	-52.49
CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025558822	0	45	-1.0	-49.29	380.17	3.79	-45.50
COC1=CC(C=O)=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558823	0	37	-1.0	-59.32	329.24	1.59	-57.73
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558824	0	44	-1.0	-52.97	376.43	0.95	-52.02
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558825	0	41	-1.0	-53.84	360.13	-0.81	-54.65
CC1=NOC(C)=C1COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558826	0	46	-1.0	-51.72	396.48	4.27	-47.45
O=C(CSCC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558827	0	34	-1.0	-49.23	329.09	4.10	-45.13
O=C(CSCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558828	0	34	-1.0	-48.83	329.09	4.11	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=CC=C2)C=C1	REAL300025558829	0	41	-1.0	-47.78	364.89	6.44	-41.34
CC1=CC=C(SCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025558830	0	47	-1.0	-49.23	404.81	7.67	-41.56
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(C)C	REAL300025558831	0	48	-1.0	-49.01	399.92	4.35	-44.66
CC1=CC(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025558832	0	38	-1.0	-44.84	340.96	3.45	-41.39
O=C(CCCN1C(=O)OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558833	0	39	-1.0	-57.23	343.92	3.31	-53.92
O=C(CN1C(=O)OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558834	0	33	-1.0	-56.14	301.39	2.10	-54.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL300025558835	0	38	-1.0	-52.56	331.85	2.89	-49.67
CC(C)CCSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558836	0	45	-1.0	-51.99	388.89	6.00	-45.99
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558837	0	40	-1.0	-55.48	355.67	2.62	-52.86
COC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558838	0	40	-1.0	-50.74	357.66	0.77	-49.97
O=C(CNC(=O)C1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558839	0	34	-1.0	-44.30	323.56	0.65	-43.65
O=C(CNC(=O)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558840	0	34	-1.0	-45.38	319.01	0.54	-44.84
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025558841	0	47	-1.0	-55.71	388.10	1.70	-54.01
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CC=C2F)CC1	REAL300025558842	0	45	-1.0	-55.08	383.57	1.36	-53.72
CC(SC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558843	0	34	-1.0	-45.53	326.94	3.91	-41.62
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558844	0	39	-1.0	-52.34	334.05	-0.71	-53.05
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025558845	0	48	-1.0	-49.23	400.70	2.15	-47.08
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025558846	0	36	-1.0	-48.76	330.47	0.69	-48.07
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558847	0	38	-1.0	-49.74	338.75	-0.46	-50.20
CCOC1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558848	0	38	-1.0	-54.40	327.95	2.78	-51.62
CN1C=NN=C1SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558849	0	39	-1.0	-61.02	364.48	5.12	-55.90
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025558850	0	34	-1.0	-48.97	312.30	3.21	-45.76
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CO1	REAL300025558851	0	41	-1.0	-58.89	358.05	2.46	-56.43
COC1=CC=CC2=C1OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025558852	0	36	-1.0	-51.07	319.41	2.69	-48.38
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025558853	0	44	-1.0	-46.65	343.37	4.68	-41.97
CNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558854	0	35	-1.0	-54.18	319.89	-2.30	-56.48
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558855	0	44	-1.0	-53.14	380.22	0.13	-53.01
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300025558856	0	45	-1.0	-47.62	377.51	6.22	-41.40
NC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558857	0	39	-1.0	-55.58	331.94	-0.43	-56.01
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025558858	0	48	-1.0	-56.61	404.62	1.23	-55.38
C=CCC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025558859	0	42	-1.0	-53.72	361.79	3.85	-49.87
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC(C)C	REAL300025558860	0	45	-1.0	-47.03	391.66	4.05	-42.98
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)C	REAL300025558861	0	45	-1.0	-56.79	374.59	-0.99	-57.78
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558862	0	47	-1.0	-47.99	396.10	1.92	-46.07
CC1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558863	0	47	-1.0	-48.11	380.78	0.15	-47.96
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)(C)C	REAL300025558864	0	48	-1.0	-55.69	396.97	-0.58	-56.27
CC(SCC(=O)NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N1	REAL300025558865	0	40	-1.0	-56.43	356.86	2.71	-53.72
N#CCCN1C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025558866	0	42	-1.0	-56.69	375.53	5.91	-50.78
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558867	0	44	-1.0	-53.53	398.65	-0.49	-54.02
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558868	0	43	-1.0	-53.87	386.82	-0.95	-54.82
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558869	0	33	-1.0	-53.24	316.51	-0.42	-53.66
COC1=CC(OC)=C(OC)C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558870	0	43	-1.0	-51.54	364.11	1.32	-50.22
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558871	0	41	-1.0	-48.79	357.00	-0.77	-49.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300025558872	0	44	-1.0	-56.05	367.66	4.66	-51.39
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2CCCCC2C1=O	REAL300025558873	0	43	-1.0	-51.57	349.34	3.05	-48.52
CSCCC(NC(=O)C1=CC=CC(C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558874	0	47	-1.0	-45.14	401.63	3.40	-41.74
COCCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558875	0	45	-1.0	-49.92	390.37	-1.67	-51.59
O=C(CSC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025558876	0	33	-1.0	-47.17	321.64	2.36	-44.81
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)NC2=CC=CC=C2)CC1	REAL300025558877	0	46	-1.0	-53.21	373.99	3.22	-49.99
CC1=C(C(C)C)C=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025558878	0	45	-1.0	-51.04	373.36	5.04	-46.00
CC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025558879	0	36	-1.0	-50.92	317.22	3.26	-47.66
CCC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025558880	0	39	-1.0	-50.58	338.71	4.02	-46.56
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NCCC1=NC(=O)O[N-]1	REAL300025558881	0	39	-1.0	-52.83	337.25	4.67	-48.16
O=C(CC1=COC2=CC3=C(C=C12)CCC3)NCCC1=NC(=O)O[N-]1	REAL300025558882	0	40	-1.0	-51.65	341.39	4.49	-47.16
O=C(COC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025558883	0	31	-1.0	-50.97	313.99	3.26	-47.71
O=C(COC1=CC=C(F)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025558884	0	31	-1.0	-51.37	303.67	2.81	-48.56
O=C(COC1=CC=C(I)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558885	0	31	-1.0	-48.65	304.63	3.21	-45.44
CC(=O)C1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558886	0	36	-1.0	-59.30	319.62	2.59	-56.71
O=C(CSC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558887	0	31	-1.0	-46.63	307.74	3.30	-43.33
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558888	0	33	-1.0	-51.85	305.05	2.78	-49.07
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025558889	0	38	-1.0	-48.81	339.35	0.86	-47.95
CC(NC(=O)NC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558890	0	39	-1.0	-47.03	336.58	0.11	-46.92
CC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025558891	0	39	-1.0	-51.50	334.17	3.78	-47.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC3=CC=CC=C3C=C2)O1	REAL300025558892	0	44	-1.0	-47.70	385.33	5.26	-42.44
O=C(C=CC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558893	0	37	-1.0	-49.55	322.32	1.88	-47.67
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558894	0	39	-1.0	-67.89	354.12	-1.47	-69.36
CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558895	0	42	-1.0	-49.42	358.32	2.87	-46.55
CCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558896	0	38	-1.0	-44.17	343.76	2.35	-41.82
CCOC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025558897	0	42	-1.0	-46.86	378.31	3.52	-43.34
CSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025558898	0	33	-1.0	-53.08	306.87	3.06	-50.02
CC1=CN2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL300025558899	0	35	-1.0	-53.28	307.11	2.35	-50.93
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558900	0	48	-1.0	-47.70	396.45	2.20	-45.50
O=C(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558901	0	45	-1.0	-46.25	390.90	2.89	-43.36
CC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025558902	0	34	-1.0	-45.85	316.22	-0.18	-46.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1	REAL300025558903	0	41	-1.0	-47.38	381.62	6.96	-40.42
CCN(CC)S(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558904	0	48	-1.0	-51.03	414.52	2.46	-48.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)O1	REAL300025558905	0	34	-1.0	-46.84	315.47	3.42	-43.42
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025558906	0	47	-1.0	-49.11	399.65	0.81	-48.30
COC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558907	0	41	-1.0	-50.72	348.79	1.90	-48.82
CC(C)(C)C1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558908	0	49	-1.0	-49.32	395.46	4.93	-44.39
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558909	0	40	-1.0	-49.77	340.70	3.29	-46.48
CC1=CC=CC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558910	0	40	-1.0	-49.92	340.70	3.29	-46.63
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558911	0	49	-1.0	-44.13	386.45	3.43	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)CC1	REAL300025558912	0	38	-1.0	-44.55	332.60	2.18	-42.37
CCCCCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025558913	0	50	-1.0	-43.67	415.13	4.99	-38.68
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558914	0	44	-1.0	-53.04	380.06	1.25	-51.79
O=C(COC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558915	0	31	-1.0	-50.71	298.14	2.73	-47.98
O=C(CC12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025558916	0	44	-1.0	-45.20	322.87	4.12	-41.08
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558917	0	39	-1.0	-52.05	328.83	1.73	-50.32
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558918	0	43	-1.0	-56.07	385.34	-1.03	-57.10
CCOC1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558919	0	45	-1.0	-52.06	395.43	-1.21	-53.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025558920	0	44	-1.0	-53.14	384.90	5.05	-48.09
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025558921	0	44	-1.0	-52.99	377.28	3.89	-49.10
O=C(CC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025558922	0	36	-1.0	-51.11	312.43	1.38	-49.73
O=C(C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558923	0	45	-1.0	-48.31	389.02	6.02	-42.29
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558924	0	41	-1.0	-50.47	358.14	-0.51	-50.98
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558925	0	43	-1.0	-45.06	366.11	2.80	-42.26
CC1=CC(C)=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025558926	0	40	-1.0	-48.60	340.06	4.23	-44.37
CSCCC(NC(=O)C1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558927	0	44	-1.0	-45.72	392.71	3.25	-42.47
CSCCC(NC(=O)COC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558928	0	48	-1.0	-47.02	413.78	3.20	-43.82
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558929	0	35	-1.0	-50.57	338.75	-1.56	-52.13
COC1=CC=CC=C1C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558930	0	38	-1.0	-49.02	329.60	0.59	-48.43
O=C(CNS(=O)(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558931	0	35	-1.0	-51.71	322.02	-2.08	-53.79
O=C(CNC(=O)CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558932	0	37	-1.0	-46.38	326.89	0.71	-45.67
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558933	0	42	-1.0	-58.89	378.38	-3.20	-62.09
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558934	0	37	-1.0	-55.07	341.13	1.18	-53.89
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025558935	0	42	-1.0	-53.09	375.98	-0.25	-53.34
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558936	0	38	-1.0	-48.87	357.02	-0.90	-49.77
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558937	0	45	-1.0	-57.10	396.36	-2.53	-59.63
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558938	0	42	-1.0	-50.04	369.78	-2.12	-52.16
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558939	0	41	-1.0	-49.67	361.70	-0.74	-50.41
CC1=CC=C(CN2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025558940	0	44	-1.0	-49.25	373.61	3.79	-45.46
CCOC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025558941	0	45	-1.0	-49.37	373.45	2.68	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCO2)C=C1	REAL300025558942	0	42	-1.0	-49.20	351.53	2.16	-47.04
COC(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558943	0	37	-1.0	-49.18	332.59	3.40	-45.78
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025558944	0	43	-1.0	-49.82	354.48	4.56	-45.26
O=C(COC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025558945	0	37	-1.0	-52.08	321.88	4.41	-47.67
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025558946	0	42	-1.0	-46.92	363.71	4.52	-42.40
CS(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558947	0	35	-1.0	-50.73	320.58	-1.84	-52.57
O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558948	0	36	-1.0	-61.05	336.28	2.96	-58.09
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558949	0	37	-1.0	-51.55	334.16	1.80	-49.75
CC1=CC=CC(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025558950	0	46	-1.0	-44.69	375.80	2.90	-41.79
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025558951	0	39	-1.0	-50.89	334.73	1.82	-49.07
CC(C)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558952	0	43	-1.0	-46.09	355.13	3.89	-42.20
CCCCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558953	0	46	-1.0	-46.10	380.56	4.93	-41.17
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(C)C	REAL300025558954	0	44	-1.0	-47.95	365.38	3.15	-44.80
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558955	0	46	-1.0	-45.21	368.52	3.21	-42.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1	REAL300025558956	0	39	-1.0	-49.37	339.92	4.80	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025558957	0	24	-1.0	-42.33	257.09	1.28	-41.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C(=O)CCC2=O)C=C1	REAL300025558958	0	37	-1.0	-54.79	329.86	2.13	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C(=O)CCC2=O)=C1	REAL300025558959	0	37	-1.0	-58.29	329.97	2.11	-56.18
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300025558960	0	41	-1.0	-49.00	352.24	3.13	-45.87
O=C(CCCOC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558961	0	37	-1.0	-50.26	340.59	3.24	-47.02
CC1=C(C)C2=C(SCC(=O)NCCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025558962	0	38	-1.0	-47.03	348.82	3.19	-43.84
O=C(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025558963	0	38	-1.0	-54.36	346.99	-0.51	-54.87
CC1=CC=C(C)C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558964	0	41	-1.0	-45.04	346.86	4.20	-40.84
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025558965	0	35	-1.0	-47.79	311.67	1.03	-46.76
NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558966	0	32	-1.0	-54.30	297.51	-3.52	-57.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025558967	0	41	-1.0	-47.72	354.47	4.84	-42.88
CCCCCOC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558968	0	51	-1.0	-45.26	425.20	5.45	-39.81
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025558969	0	38	-1.0	-54.70	333.83	1.04	-53.66
CCCC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025558970	0	44	-1.0	-44.92	373.93	5.07	-39.85
CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558971	0	50	-1.0	-45.52	406.79	3.63	-41.89
O=C(C=CC1=CC=CC=C1OC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025558972	0	35	-1.0	-50.23	315.95	2.37	-47.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Cl	REAL300025558973	0	27	-1.0	-44.62	277.12	2.68	-41.94
O=C(CC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558974	0	30	-1.0	-46.19	298.90	3.16	-43.03
O=C(CN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025558975	0	34	-1.0	-55.06	313.15	1.40	-53.66
O=C(CCC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558976	0	35	-1.0	-44.65	315.94	2.92	-41.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	REAL300025558977	0	43	-1.0	-53.47	370.97	-0.88	-54.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1I	REAL300025558978	0	27	-1.0	-46.35	265.05	2.61	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025558979	0	38	-2.0	-95.22	363.59	0.50	-94.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300025558980	0	45	-1.0	-52.94	380.40	1.52	-51.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300025558981	0	38	-1.0	-49.09	333.70	4.44	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NC2=CC=CC=C21	REAL300025558982	0	42	-1.0	-46.87	373.55	6.10	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025558983	0	38	-1.0	-45.99	331.93	4.40	-41.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025558984	0	30	-1.0	-47.87	282.35	2.55	-45.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300025558985	0	29	-1.0	-54.02	284.28	3.71	-50.31
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OCC)=C1OCC	REAL300025558986	0	48	-1.0	-46.43	400.66	3.47	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025558987	0	27	-1.0	-44.12	271.08	2.64	-41.48
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025558988	0	33	-1.0	-48.69	306.01	3.41	-45.28
O=C(CCCOC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558989	0	37	-1.0	-50.66	352.05	3.68	-46.98
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558990	0	34	-1.0	-50.56	327.05	3.73	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300025558991	0	27	-1.0	-45.70	272.55	2.56	-43.14
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025558992	0	38	-1.0	-51.11	326.68	1.42	-49.69
CSC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025558993	0	31	-1.0	-46.46	295.98	3.07	-43.39
O=C(CC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558994	0	30	-1.0	-45.90	296.04	3.07	-42.83
O=C(CC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025558995	0	33	-1.0	-47.77	306.99	3.24	-44.53
COC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025558996	0	45	-1.0	-49.08	381.23	2.14	-46.94
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025558997	0	35	-1.0	-46.23	326.23	2.86	-43.37
CC1=CC(Cl)=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025558998	0	34	-1.0	-48.71	313.65	3.33	-45.38
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025558999	0	39	-1.0	-50.61	334.94	1.38	-49.23
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025559000	0	33	-1.0	-57.54	303.53	3.31	-54.23
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025559001	0	43	-1.0	-49.61	369.64	1.89	-47.72
CC1=NC(COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025559002	0	39	-1.0	-51.82	346.05	0.35	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300025559003	0	42	-1.0	-49.15	378.29	1.37	-47.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025559003	1	41	-2.0	-90.39	371.84	1.49	-88.90
O=C(CSC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025559004	0	31	-1.0	-47.21	318.19	3.65	-43.56
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)NCCC1=NC(=O)O[N-]1	REAL300025559005	0	37	-1.0	-51.07	340.29	5.15	-45.92
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559006	0	40	-1.0	-48.90	342.14	5.63	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1	REAL300025559007	0	27	-1.0	-46.53	271.09	2.63	-43.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=NNC(=O)C=C1	REAL300025559008	0	36	-1.0	-49.06	320.02	-0.11	-49.17
CN1C2=CC=CC=C2N(C)C1=C(C#N)C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559009	0	48	-1.0	-53.18	407.51	5.66	-47.52
O=C(CSC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559010	0	37	-1.0	-49.23	332.54	4.95	-44.28
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C=N2	REAL300025559011	0	39	-1.0	-56.92	342.41	2.32	-54.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21	REAL300025559012	0	42	-1.0	-47.51	356.83	5.58	-41.93
O=C(CCCN1C(=O)C2=CC=CC3=CC=CC(=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559013	0	46	-1.0	-58.65	393.70	4.71	-53.94
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025559014	0	40	-1.0	-48.02	342.38	3.72	-44.30
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCC1	REAL300025559015	0	46	-1.0	-57.03	390.49	0.51	-56.52
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559016	0	44	-1.0	-45.12	380.23	2.74	-42.38
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C2=CC=CC=C21	REAL300025559017	0	45	-1.0	-44.44	387.67	4.88	-39.56
CC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025559018	0	46	-1.0	-44.95	374.33	2.96	-41.99
CC(C)C(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559019	0	55	-1.0	-43.93	430.61	4.61	-39.32
CCOC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559020	0	44	-1.0	-50.45	370.65	2.82	-47.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)O1	REAL300025559021	0	24	-1.0	-41.42	249.22	0.28	-41.14
CCCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559022	0	43	-1.0	-46.09	359.06	4.15	-41.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(Br)=C1	REAL300025559023	0	26	-1.0	-44.00	259.62	0.38	-43.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300025559024	0	27	-1.0	-48.76	271.01	2.51	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300025559025	0	27	-1.0	-44.88	272.56	2.57	-42.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL300025559026	0	27	-1.0	-42.88	276.77	2.56	-40.32
O=C(CC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559027	0	30	-1.0	-47.45	299.85	3.19	-44.26
CCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559028	0	41	-1.0	-47.37	338.21	3.84	-43.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025559029	0	37	-1.0	-47.08	317.40	4.95	-42.13
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025559030	0	40	-1.0	-47.18	338.47	5.48	-41.70
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559031	0	35	-1.0	-44.30	326.27	3.37	-40.93
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559032	0	43	-1.0	-43.49	369.64	2.81	-40.68
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559033	0	46	-1.0	-43.09	392.51	3.87	-39.22
O=C(CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559034	0	46	-1.0	-49.64	391.92	6.57	-43.07
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025559035	0	35	-1.0	-44.21	308.07	0.99	-43.22
O=C(CNC(=O)COC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559036	0	38	-1.0	-48.22	335.81	0.60	-47.62
CCOC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025559037	0	50	-1.0	-44.52	405.75	2.54	-41.98
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025559038	0	43	-1.0	-54.47	361.11	5.29	-49.18
COC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025559039	0	47	-1.0	-44.63	383.83	1.57	-43.06
CCOC1=CC=CC=C1C(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025559040	0	50	-1.0	-47.85	406.81	3.97	-43.88
CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559041	0	38	-1.0	-45.33	330.95	3.53	-41.80
O=C(CCC1=CNC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025559042	0	37	-1.0	-48.09	321.24	3.08	-45.01
CC1=CC(C)=NC(SCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025559043	0	35	-1.0	-50.05	322.15	1.47	-48.58
O=C(CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025559044	0	37	-1.0	-47.39	354.02	1.94	-45.45
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025559045	0	38	-1.0	-55.47	359.35	0.46	-55.01
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559046	0	42	-1.0	-52.18	369.48	1.30	-50.88
CC1=CC=C(C)C(SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559047	0	37	-1.0	-47.35	326.36	3.92	-43.43
CC1=CC(SCC(=O)NCCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025559048	0	37	-1.0	-46.43	344.42	4.43	-42.00
O=C(COC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025559049	0	33	-1.0	-63.15	302.87	3.26	-59.89
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559050	0	34	-1.0	-47.51	320.63	1.92	-45.59
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559051	0	39	-1.0	-50.33	344.53	0.12	-50.21
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CO1	REAL300025559052	0	41	-1.0	-49.23	350.21	4.11	-45.12
CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559053	0	40	-1.0	-44.29	345.69	1.27	-43.02
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559054	0	40	-1.0	-51.65	340.41	4.92	-46.73
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559055	0	41	-1.0	-46.02	358.75	1.21	-44.81
O=C(CSC1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559056	0	38	-1.0	-48.10	332.01	4.59	-43.51
O=C(COC1=CC=C(F)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025559057	0	31	-1.0	-51.61	299.28	2.70	-48.91
O=C(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025559058	0	38	-1.0	-53.12	347.09	2.56	-50.56
O=C(CCNC(=O)C1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559059	0	34	-1.0	-56.41	315.74	-0.42	-56.83
O=C(CCCNC(=O)C1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559060	0	37	-1.0	-50.05	337.24	0.38	-49.67
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)C1=CC=CC=C1	REAL300025559061	0	40	-1.0	-55.57	343.76	1.81	-53.76
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025559062	0	40	-1.0	-51.98	363.38	2.45	-49.53
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025559063	0	40	-1.0	-51.93	367.95	2.56	-49.37
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025559064	0	43	-1.0	-53.02	368.50	2.52	-50.50
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559065	0	36	-1.0	-49.05	333.18	3.82	-45.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1	REAL300025559066	0	36	-1.0	-48.98	306.10	1.49	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCCS2)C=C1	REAL300025559067	0	39	-1.0	-46.62	347.95	5.09	-41.53
COC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559068	0	35	-1.0	-48.54	315.92	1.97	-46.57
O=C(C=CC1=NC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025559069	0	33	-1.0	-49.24	303.09	-0.18	-49.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCC(=O)NC2=C1	REAL300025559070	0	33	-1.0	-49.51	294.01	-1.24	-50.75
CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025559071	0	35	-1.0	-45.39	322.23	2.75	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCOC2=C1	REAL300025559072	0	30	-1.0	-45.30	286.08	0.73	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)NC2=C1	REAL300025559073	0	36	-1.0	-49.42	319.82	0.92	-48.50
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559074	0	34	-2.0	-91.38	317.52	-1.32	-92.70
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559075	0	37	-1.0	-48.15	338.26	2.44	-45.71
NS(=O)(=O)C1=CC=C(N2CCOCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559076	0	45	-1.0	-52.22	382.74	-3.35	-55.57
CCOC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559077	0	38	-1.0	-48.34	337.78	2.90	-45.44
O=C(CCC1=NC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025559078	0	35	-1.0	-48.97	311.66	-0.01	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCOC2=C1	REAL300025559079	0	33	-1.0	-46.52	303.71	1.24	-45.28
CC1=C(Cl)C=CC=C1N1C=CN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559080	0	41	-1.0	-48.34	378.79	5.38	-42.96
O=C(CSC1=CC=C(C(F)(F)F)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025559081	0	33	-1.0	-45.16	323.66	2.08	-43.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCC2=O)C=C1	REAL300025559082	0	41	-1.0	-50.75	350.75	3.30	-47.45
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559083	0	42	-1.0	-49.54	355.08	-0.32	-49.86
NS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559084	0	38	-1.0	-51.67	343.51	-2.01	-53.68
CNS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559085	0	41	-1.0	-50.84	365.94	-0.80	-51.64
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559086	0	33	-1.0	-53.22	310.86	1.79	-51.43
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025559087	0	37	-1.0	-46.97	339.25	2.99	-43.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300025559088	0	44	-1.0	-55.07	363.87	0.56	-54.51
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559089	0	38	-1.0	-50.15	333.65	5.13	-45.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300025559090	0	39	-1.0	-49.99	352.26	-0.62	-50.61
CC1=CC(C)=CC(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559091	0	44	-1.0	-48.21	391.09	5.91	-42.30
CC1=CC=CC=C1N1C=CN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559092	0	41	-1.0	-47.79	364.65	4.96	-42.83
CC1=CC=CC(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025559093	0	44	-1.0	-47.77	381.75	5.49	-42.28
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559094	0	44	-1.0	-47.73	386.17	5.62	-42.11
O=C(CCC1=NC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559095	0	38	-1.0	-48.07	329.80	3.40	-44.67
CSC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1C1=CC=CC=C1	REAL300025559096	0	38	-1.0	-45.35	343.63	4.52	-40.83
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1Cl	REAL300025559097	0	40	-1.0	-46.53	358.22	4.21	-42.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)COC2=C1	REAL300025559098	0	33	-1.0	-50.05	293.96	-1.21	-51.26
COC1=CC=C(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559099	0	42	-1.0	-48.34	377.78	3.88	-44.46
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300025559100	0	44	-1.0	-47.59	375.84	3.81	-43.78
CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025559101	0	34	-1.0	-51.95	318.67	3.42	-48.53
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559102	0	39	-1.0	-54.68	351.41	-0.28	-54.96
O=C(COCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025559103	0	36	-1.0	-56.07	334.07	2.03	-54.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCCOC2=C1	REAL300025559104	0	36	-1.0	-45.90	322.12	2.03	-43.87
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300025559105	0	44	-1.0	-47.88	374.17	3.06	-44.82
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025559106	0	47	-1.0	-49.84	371.83	2.46	-47.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2S1	REAL300025559107	0	30	-1.0	-43.40	288.81	3.02	-40.38
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559108	0	40	-1.0	-47.86	356.66	3.23	-44.63
COC1=CC=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1OC(F)F	REAL300025559109	0	39	-1.0	-53.06	347.12	2.34	-50.72
CN1CC(=O)N(CCCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559110	0	38	-1.0	-55.84	333.24	0.34	-55.50
O=C(CC1=CC=C(OC(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559111	0	34	-1.0	-50.51	307.19	1.80	-48.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1Br	REAL300025559112	0	27	-1.0	-45.47	265.96	2.23	-43.24
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC3=C(CCCC3)C2=CC=C1	REAL300025559113	0	41	-1.0	-47.81	335.96	4.17	-43.64
CS(=O)(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025559114	0	39	-1.0	-53.09	341.54	0.26	-52.83
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025559115	0	37	-1.0	-49.16	316.91	0.58	-48.58
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025559116	0	31	-1.0	-48.12	293.10	1.51	-46.61
CC1CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1S(C)(=O)=O	REAL300025559117	0	42	-1.0	-52.34	357.12	1.07	-51.27
O=C(CC1=CC2=C(C=C1Br)OCCO2)NCCC1=NC(=O)O[N-]1	REAL300025559118	0	36	-1.0	-49.38	330.12	1.84	-47.54
CON(C)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025559119	0	39	-1.0	-51.00	360.36	0.24	-50.76
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1F	REAL300025559120	0	37	-1.0	-50.18	327.54	3.28	-46.90
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025559121	0	39	-1.0	-65.32	346.05	-0.36	-65.68
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025559122	0	34	-1.0	-47.28	329.73	4.67	-42.61
COC(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025559123	0	40	-1.0	-56.68	356.25	4.29	-52.39
O=C(CCN1C(=O)COC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559124	0	39	-1.0	-48.64	335.45	1.45	-47.19
CS(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559125	0	36	-1.0	-59.35	328.33	-0.27	-59.62
CC1=NN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300025559126	0	45	-1.0	-52.24	395.63	4.85	-47.39
O=C(COC1=CC=C(C2SCCCS2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559127	0	43	-1.0	-50.70	381.50	5.67	-45.03
CS(=O)(=O)N1CCCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025559128	0	42	-1.0	-53.16	353.19	0.85	-52.31
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CC1	REAL300025559129	0	43	-1.0	-55.63	380.44	-0.82	-56.45
CC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559130	0	37	-1.0	-53.33	324.29	1.12	-52.21
CC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559131	0	37	-1.0	-50.36	325.50	0.55	-49.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CS1	REAL300025559132	0	34	-1.0	-46.59	311.32	4.01	-42.58
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1	REAL300025559133	0	44	-1.0	-55.27	372.69	3.49	-51.78
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025559134	0	40	-1.0	-51.46	356.85	1.61	-49.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=N2)C=C1	REAL300025559135	0	32	-1.0	-53.70	291.45	1.73	-51.97
CCOC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559136	0	40	-1.0	-47.15	339.50	3.31	-43.84
O=C(NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CS1	REAL300025559137	0	38	-1.0	-59.09	347.51	2.56	-56.53
CC(C)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559138	0	40	-1.0	-49.51	337.05	4.03	-45.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CCC2=O)C=C1	REAL300025559139	0	40	-1.0	-51.67	351.44	2.69	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300025559140	0	39	-1.0	-52.58	346.10	0.16	-52.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL300025559141	0	38	-1.0	-49.06	330.49	2.02	-47.04
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025559142	0	43	-1.0	-71.41	369.68	0.23	-71.18
CC(C)(C)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559143	0	45	-1.0	-45.01	365.53	5.35	-39.66
O=C(CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559144	0	41	-1.0	-57.67	372.09	3.98	-53.69
CCN1C2=C(C=CC=C2)C2=C1C=CC(C=CC(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025559145	0	47	-1.0	-50.59	399.19	7.46	-43.13
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559146	0	43	-1.0	-45.56	376.33	3.54	-42.02
COC1=CC=CC=C1C(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025559147	0	47	-1.0	-47.80	384.95	3.05	-44.75
COC1=CC=C(C)C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559148	0	38	-1.0	-49.63	327.59	2.76	-46.87
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559149	0	57	-1.0	-42.77	419.25	4.22	-38.55
COC1=CC=C(C2(C)NC(=O)N(CC(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025559150	0	46	-1.0	-53.06	392.57	0.53	-52.53
CC(=O)N(C1=NC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CS1)C1=CC=CC=C1	REAL300025559151	0	44	-1.0	-53.05	400.82	5.36	-47.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2=O)=C1	REAL300025559152	0	38	-1.0	-61.69	320.58	2.65	-59.04
O=C(CSC1=CC=C(F)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559153	0	31	-1.0	-46.65	299.14	2.80	-43.85
CSC1=NC(C)=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025559154	0	41	-1.0	-47.20	356.16	2.52	-44.68
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025559155	0	39	-1.0	-45.41	334.79	5.02	-40.39
CCOC1=CC=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559156	0	44	-1.0	-53.47	370.40	3.43	-50.04
CC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025559157	0	44	-1.0	-48.47	390.62	6.71	-41.76
O=C(CCCCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025559158	0	41	-1.0	-49.94	363.99	4.01	-45.93
NC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559159	0	36	-1.0	-51.11	318.42	-2.24	-53.35
O=C(CC1OC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559160	0	36	-1.0	-49.84	316.26	0.28	-49.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=CC=C21	REAL300025559161	0	39	-1.0	-46.50	329.15	3.96	-42.54
CC(C)(C)OC(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559162	0	40	-1.0	-51.95	334.43	-1.03	-52.98
CC1=CC=NN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559163	0	37	-1.0	-49.87	320.53	3.14	-46.73
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559164	0	44	-1.0	-50.72	365.27	1.78	-48.94
O=C(CCCCC1CCSS1)NCCC1=NC(=O)O[N-]1	REAL300025559165	0	38	-1.0	-48.36	336.56	4.77	-43.59
CC(C)CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559166	0	42	-1.0	-46.61	349.08	4.90	-41.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCCC2=O)=C1	REAL300025559167	0	38	-1.0	-53.04	345.11	3.69	-49.35
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559168	0	44	-1.0	-55.81	365.12	1.78	-54.03
NC(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559169	0	35	-1.0	-52.78	312.31	-0.47	-53.25
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025559170	0	37	-1.0	-50.23	336.24	4.82	-45.41
CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559171	0	35	-1.0	-50.46	319.86	-2.30	-52.76
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025559172	0	38	-1.0	-47.60	340.23	1.66	-45.94
COC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559173	0	33	-1.0	-48.62	298.79	2.77	-45.85
O=C(CSC1CCS(=O)(=O)C1)NCCC1=NC(=O)O[N-]1	REAL300025559174	0	34	-1.0	-55.10	316.45	-1.44	-56.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Cl)=CC=C1Cl	REAL300025559175	0	26	-1.0	-44.21	269.93	0.76	-43.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(Cl)=C1	REAL300025559176	0	26	-1.0	-42.53	272.24	0.63	-41.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)C=CS1	REAL300025559177	0	34	-1.0	-46.66	309.49	4.16	-42.50
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=N1	REAL300025559178	0	36	-1.0	-45.06	327.18	3.07	-41.99
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CS2)=N1	REAL300025559179	0	33	-1.0	-44.20	319.55	2.19	-42.01
CC(C)C1=NC2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559180	0	41	-1.0	-46.35	339.52	3.75	-42.60
CN(C)C(=O)COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559181	0	41	-1.0	-66.56	349.33	3.35	-63.21
CC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025559182	0	37	-1.0	-46.96	330.92	4.84	-42.12
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C=C2)=N1	REAL300025559183	0	36	-1.0	-44.06	333.57	3.14	-40.92
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=C(F)C=C1)C1=CC=CS1	REAL300025559184	0	38	-1.0	-43.40	348.34	5.42	-37.98
CC1=CC=C(CN2N=CC3=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C(C)N=C32)C=C1	REAL300025559185	0	48	-1.0	-49.25	410.02	5.78	-43.47
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300025559186	0	49	-1.0	-48.17	416.86	4.68	-43.49
NC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559187	0	35	-1.0	-56.36	311.29	-1.04	-57.40
N#CCSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559188	0	32	-1.0	-53.80	299.84	3.13	-50.67
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559189	0	36	-1.0	-44.19	320.47	1.76	-42.43
COC1=CC=C(Cl)C=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025559190	0	42	-1.0	-51.15	376.58	2.65	-48.50
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL300025559191	0	38	-1.0	-57.03	344.20	3.63	-53.40
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300025559192	0	50	-1.0	-57.18	405.61	5.65	-51.53
N#CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559193	0	38	-1.0	-50.56	335.15	5.14	-45.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025559194	0	33	-1.0	-46.13	300.84	3.57	-42.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1Cl	REAL300025559195	0	27	-1.0	-42.90	278.39	2.60	-40.30
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025559196	0	37	-1.0	-48.54	334.50	2.62	-45.92
CC1=CC(CSC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025559197	0	39	-1.0	-54.02	355.00	3.02	-51.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300025559198	0	44	-1.0	-45.63	378.52	6.77	-38.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2S1	REAL300025559199	0	32	-1.0	-45.90	310.45	3.60	-42.30
O=C(C=CC1=C(Cl)N=C2SC=CN21)NCCC1=NC(=O)O[N-]1	REAL300025559200	0	31	-1.0	-48.81	312.65	2.84	-45.97
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=C1C(=O)N1CCCCCC1=N2	REAL300025559201	0	45	-1.0	-51.84	372.09	3.75	-48.09
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025559202	0	37	-1.0	-48.50	336.44	4.57	-43.93
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559203	0	36	-1.0	-54.58	331.41	0.11	-54.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=CC=C1	REAL300025559204	0	37	-1.0	-47.64	318.09	5.12	-42.52
O=C(C=CC1=CN(C2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025559205	0	38	-1.0	-49.95	337.45	3.98	-45.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1	REAL300025559206	0	34	-1.0	-42.77	339.20	4.25	-38.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL300025559207	0	34	-1.0	-45.78	323.92	3.85	-41.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CN2C=CC=CC2=N1	REAL300025559208	0	44	-1.0	-55.35	378.29	6.56	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300025559209	0	33	-1.0	-44.44	327.29	2.87	-41.57
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1Br	REAL300025559210	0	35	-1.0	-45.42	321.74	0.86	-44.56
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C21	REAL300025559211	0	48	-1.0	-48.04	404.67	5.84	-42.20
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025559212	0	45	-1.0	-47.43	377.66	4.24	-43.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CN1C1=CC=C(F)C=C1	REAL300025559213	0	34	-1.0	-46.54	307.84	4.07	-42.47
COC1=CC(OC)=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559214	0	39	-1.0	-48.03	336.78	1.34	-46.69
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559215	0	42	-1.0	-52.18	375.20	3.68	-48.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=CS1	REAL300025559216	0	36	-1.0	-53.55	333.17	4.08	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300025559217	0	35	-1.0	-53.90	312.07	2.37	-51.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C(N=CNC2=O)O1	REAL300025559218	0	32	-1.0	-59.56	296.20	-1.87	-61.43
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)SC2=C1CCCC2	REAL300025559219	0	42	-1.0	-48.11	358.97	5.90	-42.21
CCS(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559220	0	35	-1.0	-47.01	311.05	1.02	-45.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)S1	REAL300025559221	0	37	-1.0	-44.91	316.35	3.77	-41.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CC(C1=CC=CC=C1)OC2=O	REAL300025559222	0	44	-1.0	-47.66	378.97	6.25	-41.41
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300025559223	0	48	-1.0	-48.24	407.33	7.43	-40.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300025559224	0	34	-1.0	-45.22	319.82	4.29	-40.93
CCCCC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559225	0	42	-1.0	-46.72	353.81	5.22	-41.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1	REAL300025559226	0	35	-1.0	-61.29	320.07	5.16	-56.13
O=C(CN1C=NC2=C(C=C(C3=CC=CC=C3)S2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559227	0	42	-1.0	-58.68	381.09	5.46	-53.22
CC1=NC2=CC=CC=C2C(=O)N1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559228	0	45	-1.0	-51.82	389.52	5.55	-46.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2CCS(=O)(=O)N=C2C=C1	REAL300025559229	0	35	-1.0	-57.18	315.24	-1.07	-58.25
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025559230	0	45	-1.0	-48.52	385.93	6.76	-41.76
CC1=CC=CC(C(=O)NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559231	0	44	-1.0	-48.71	372.32	4.66	-44.05
COC1=CC=C(C(=O)NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559232	0	45	-1.0	-48.13	381.17	3.38	-44.75
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025559233	0	45	-1.0	-45.40	333.60	0.78	-44.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)C=C1	REAL300025559234	0	31	-1.0	-43.58	299.53	2.99	-40.59
CC1=NC(C2=CC=CC=C2)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025559235	0	36	-1.0	-47.07	326.41	2.91	-44.16
COC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025559236	0	37	-1.0	-44.66	321.85	1.90	-42.76
CC(=O)CCC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025559237	0	44	-1.0	-47.17	379.76	4.75	-42.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025559238	0	33	-1.0	-42.26	313.58	3.25	-39.01
CCOC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025559239	0	40	-1.0	-44.37	343.71	2.84	-41.53
O=C(NCCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300025559240	0	44	-1.0	-47.87	382.17	5.23	-42.64
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025559241	0	37	-1.0	-46.28	325.97	1.68	-44.60
CC(C)OCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025559242	0	43	-1.0	-46.33	368.10	3.39	-42.94
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(F)C=C21	REAL300025559243	0	33	-1.0	-42.69	298.80	2.68	-40.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C(F)C=CC=C12	REAL300025559244	0	33	-1.0	-45.39	298.72	2.67	-42.72
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(Cl)C=C21	REAL300025559245	0	33	-1.0	-42.33	309.02	3.13	-39.20
O=C(CCC1=CC=C(S(=O)(=O)N2CCCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559246	0	48	-1.0	-50.54	411.26	2.16	-48.38
CC(C)(C)OC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025559247	0	47	-1.0	-45.90	372.13	2.45	-43.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC(=O)C1=CC=C(Cl)C=C1	REAL300025559248	0	41	-1.0	-46.39	367.63	4.51	-41.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=C(OC(F)F)C=C1	REAL300025559249	0	43	-1.0	-51.41	371.31	3.64	-47.77
CCC1=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025559250	0	40	-1.0	-46.73	351.37	4.82	-41.91
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025559251	0	40	-1.0	-49.04	348.16	4.21	-44.83
O=C(CCCC1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025559252	0	33	-1.0	-47.79	322.73	3.63	-44.16
CCC(C(=O)NCCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025559253	0	41	-1.0	-52.04	375.23	3.24	-48.80
CC(C)(C)OC(=O)NCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559254	0	43	-1.0	-48.44	355.93	-0.22	-48.66
O=C(CCSC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025559255	0	36	-1.0	-51.21	343.31	3.16	-48.05
CC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025559256	0	39	-1.0	-52.83	329.27	2.25	-50.58
CC1=CC(C)=C2C(=N1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2N1C=CC=C1	REAL300025559257	0	43	-1.0	-47.41	372.27	5.44	-41.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CC=CS1	REAL300025559258	0	38	-1.0	-50.07	350.63	5.51	-44.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCCC1	REAL300025559259	0	38	-1.0	-49.32	315.64	2.39	-46.93
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559260	0	38	-1.0	-51.52	335.97	2.19	-49.33
CC(C)(C)C1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559261	0	43	-1.0	-48.71	348.01	4.63	-44.08
CC1=NC2=NC(C(F)(F)F)=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559262	0	43	-1.0	-50.69	381.83	5.07	-45.62
COC1=CC=C(OC)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559263	0	38	-1.0	-49.78	325.73	0.85	-48.93
CC1(C)NC(=O)N(CCCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559264	0	41	-1.0	-54.04	352.75	-0.67	-54.71
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025559265	0	41	-1.0	-53.23	367.02	6.06	-47.17
CC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025559266	0	39	-1.0	-53.25	353.01	3.85	-49.40
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C(C#N)C(=O)N1	REAL300025559267	0	40	-1.0	-55.85	344.36	1.08	-54.77
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(SC=C2)S1	REAL300025559268	0	27	-1.0	-44.95	286.31	2.52	-42.43
CC1=CC=CC(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)=C1	REAL300025559269	0	39	-1.0	-53.24	353.01	3.84	-49.40
O=C(CN1C=NC2=C(OC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559270	0	38	-1.0	-64.12	341.36	3.22	-60.90
COC1=CC(OC)=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559271	0	41	-1.0	-47.83	348.33	1.63	-46.20
O=C(NCCC1=NC(=O)O[N-]1)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL300025559272	0	39	-1.0	-50.34	332.87	4.70	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300025559273	0	38	-1.0	-53.24	331.54	5.61	-47.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NC2=CC=CC=C21	REAL300025559274	0	41	-1.0	-48.07	352.00	3.81	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL300025559275	0	40	-1.0	-45.06	338.21	5.35	-39.71
O=C(COC1=CC=C(N2CCCC2=O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559276	0	42	-1.0	-54.86	354.68	3.22	-51.64
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025559277	0	40	-1.0	-50.62	357.98	5.02	-45.60
CC(=O)C1=C(C)OC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559278	0	38	-1.0	-47.71	331.97	2.47	-45.24
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025559279	0	37	-1.0	-48.86	312.95	3.17	-45.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CC=C2)S1	REAL300025559280	0	43	-1.0	-47.43	383.95	5.95	-41.48
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C2C1	REAL300025559281	0	35	-1.0	-44.35	314.60	2.58	-41.77
CC1=NC(C2=CNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025559282	0	34	-1.0	-54.11	317.64	0.76	-53.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC=C1	REAL300025559283	0	39	-1.0	-48.18	332.04	4.06	-44.12
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559284	0	48	-1.0	-47.80	392.88	4.20	-43.60
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025559285	0	39	-1.0	-57.72	339.71	4.21	-53.51
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300025559286	0	36	-1.0	-43.75	343.90	3.59	-40.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(=O)N1	REAL300025559287	0	33	-1.0	-45.88	294.34	0.83	-45.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NN1	REAL300025559288	0	34	-1.0	-44.34	326.04	2.21	-42.13
O=C(CCC1=NC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025559289	0	36	-1.0	-48.05	315.57	1.72	-46.33
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559290	0	39	-1.0	-58.94	335.29	3.80	-55.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300025559291	0	33	-1.0	-45.58	320.02	4.45	-41.13
O=C(CCC1=NC(C2=CSC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025559292	0	35	-1.0	-47.20	330.43	0.55	-46.65
CC(=O)C1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025559293	0	39	-1.0	-49.98	349.49	3.77	-46.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300025559294	0	36	-1.0	-47.62	341.30	2.85	-44.77
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL300025559295	0	39	-1.0	-45.63	338.30	4.88	-40.75
CC1=CC=CC(NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025559296	0	45	-1.0	-48.67	369.44	5.52	-43.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025559297	0	42	-1.0	-48.48	372.41	5.18	-43.30
CN(C)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559298	0	41	-1.0	-46.45	341.84	3.45	-43.00
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559299	0	47	-1.0	-53.36	395.08	2.94	-50.42
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559300	0	43	-1.0	-53.64	363.27	4.29	-49.35
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559301	0	46	-1.0	-44.71	379.06	2.96	-41.75
CCOC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559302	0	38	-1.0	-51.31	332.24	0.69	-50.62
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025559303	0	36	-1.0	-45.41	333.34	3.76	-41.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1	REAL300025559304	0	44	-1.0	-46.76	366.16	4.83	-41.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1	REAL300025559305	0	42	-1.0	-46.43	356.78	2.36	-44.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCCC1	REAL300025559306	0	41	-1.0	-47.21	346.92	3.85	-43.36
CCS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025559307	0	41	-1.0	-50.44	345.40	-0.90	-51.34
O=C(CC1=CSC(N2CCCC2=O)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559308	0	37	-1.0	-60.33	335.95	1.67	-58.66
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300025559309	0	45	-1.0	-50.74	387.88	1.44	-49.30
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559310	0	37	-1.0	-46.24	323.65	2.84	-43.40
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559311	0	50	-1.0	-49.11	425.09	6.19	-42.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2=CC=CC=C2)C1	REAL300025559312	0	46	-1.0	-49.91	374.51	3.17	-46.74
COC1=CC=C(C(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025559313	0	49	-1.0	-62.16	398.70	3.11	-59.05
CON(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559314	0	39	-1.0	-50.37	350.40	-0.48	-50.85
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559315	0	36	-1.0	-48.38	339.15	3.02	-45.36
O=C(CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559316	0	45	-1.0	-46.38	383.54	6.26	-40.12
CC1=CC2=CC=CC=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559317	0	37	-1.0	-51.21	320.17	4.13	-47.08
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559318	0	43	-1.0	-47.50	371.96	4.12	-43.38
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559319	0	43	-1.0	-48.33	382.78	4.45	-43.88
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559320	0	40	-1.0	-47.92	346.08	3.60	-44.32
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559321	0	40	-1.0	-45.03	368.33	4.01	-41.02
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559322	0	37	-1.0	-46.10	342.89	3.50	-42.60
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559323	0	40	-1.0	-45.84	382.58	4.48	-41.36
CC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(C3=CC=CC=C3)=N2)C=C1	REAL300025559324	0	47	-1.0	-50.75	399.16	6.93	-43.82
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025559325	0	47	-1.0	-46.89	387.00	5.42	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCCC1=O	REAL300025559326	0	38	-1.0	-53.74	323.48	3.59	-50.15
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300025559327	0	43	-1.0	-51.67	375.46	5.63	-46.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=C1CCCN1C2=O	REAL300025559328	0	39	-1.0	-52.72	335.19	2.86	-49.86
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559329	0	44	-1.0	-49.30	375.33	4.90	-44.40
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559330	0	41	-1.0	-47.19	374.55	4.86	-42.33
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=C1C(=O)N1CCCC1=N2	REAL300025559331	0	39	-1.0	-53.49	341.12	2.66	-50.83
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559332	0	36	-1.0	-52.56	341.93	3.47	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2)=CC=N1	REAL300025559333	0	38	-1.0	-46.15	318.58	0.32	-45.83
CC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1C	REAL300025559334	0	37	-1.0	-51.17	318.11	1.10	-50.07
O=C(CC1=CSC(C2=CC=CN=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559335	0	35	-1.0	-55.48	326.61	1.41	-54.07
O=C(CC1=CSC(C2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559336	0	33	-1.0	-53.69	323.22	2.20	-51.49
CCC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025559337	0	39	-1.0	-44.94	353.45	3.79	-41.15
O=C(CCN1C=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559338	0	36	-1.0	-47.84	316.67	3.79	-44.05
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)NCCC1=NC(=O)O[N-]1	REAL300025559339	0	38	-1.0	-54.15	342.90	1.60	-52.55
CC1=NN(CC(C)C)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559340	0	39	-1.0	-44.45	344.66	2.17	-42.28
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559341	0	40	-1.0	-45.87	352.46	3.67	-42.20
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025559342	0	38	-1.0	-45.83	356.95	2.18	-43.65
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025559343	0	36	-1.0	-45.50	323.19	3.21	-42.29
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300025559344	0	36	-1.0	-48.15	342.67	3.77	-44.38
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=CN=CC=N2)C1	REAL300025559345	0	40	-1.0	-47.24	329.99	0.21	-47.03
O=C(CN1C=C(Br)C(=O)NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559346	0	30	-1.0	-55.37	297.44	-1.31	-56.68
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=C1C(=O)N(C)C=N2	REAL300025559347	0	35	-1.0	-54.01	315.72	2.05	-51.96
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025559348	0	47	-1.0	-54.61	394.94	0.33	-54.28
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025559349	0	38	-1.0	-48.66	340.87	-1.01	-49.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=NC=C3)C(=O)C2=C1	REAL300025559350	0	43	-1.0	-51.09	385.77	3.07	-48.02
CC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1C1=CC=CC=C1	REAL300025559351	0	43	-1.0	-52.81	372.04	6.09	-46.72
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559352	0	36	-1.0	-53.38	331.99	-2.11	-55.49
COC(=O)C1=C(CC(=O)NCCC2=NC(=O)O[N-]2)NC(C(C)=O)=C1C	REAL300025559353	0	42	-1.0	-54.45	371.53	1.72	-52.73
CCN(CC)S(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559354	0	50	-1.0	-50.10	426.08	2.74	-47.36
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559355	0	47	-1.0	-48.69	391.20	1.99	-46.70
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559356	0	47	-1.0	-47.71	404.35	6.51	-41.20
O=C(CCC(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559357	0	41	-1.0	-46.40	355.58	5.11	-41.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025559358	0	41	-1.0	-50.58	369.10	5.40	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025559359	0	44	-1.0	-50.98	377.75	6.25	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300025559360	0	44	-1.0	-49.37	384.19	6.32	-43.05
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559361	0	47	-1.0	-51.21	399.18	6.93	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025559362	0	46	-1.0	-55.81	398.34	4.88	-50.93
CC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559363	0	47	-1.0	-51.75	399.09	6.86	-44.89
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025559364	0	44	-1.0	-55.04	384.60	6.26	-48.78
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559365	0	42	-1.0	-54.35	349.67	5.33	-49.02
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559366	0	44	-1.0	-51.82	350.34	4.17	-47.65
O=C(CN1C2=CC=CC=C2OCCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559367	0	39	-1.0	-56.65	333.79	1.68	-54.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1Br	REAL300025559368	0	27	-1.0	-44.48	265.98	2.23	-42.25
CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025559369	0	41	-1.0	-45.68	347.91	4.05	-41.63
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(N)=O	REAL300025559370	0	39	-1.0	-58.93	340.50	-1.29	-60.22
O=C(CN1C(=O)C=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559371	0	35	-1.0	-53.54	310.33	0.96	-52.58
O=C(CN1C=NC2=C(C=CS2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559372	0	32	-1.0	-57.50	304.13	1.81	-55.69
O=C(CCN1C=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559373	0	37	-1.0	-45.64	322.14	4.21	-41.43
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559374	0	40	-1.0	-48.78	352.76	-2.56	-51.34
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559375	0	40	-1.0	-51.54	352.64	2.61	-48.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025559376	0	44	-1.0	-52.37	394.72	5.87	-46.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025559377	0	47	-1.0	-52.73	403.44	6.72	-46.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCCC2)S1	REAL300025559378	0	40	-1.0	-44.76	324.60	4.04	-40.72
CCCC1=C(CC)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025559379	0	39	-1.0	-44.46	338.31	4.14	-40.32
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025559380	0	46	-1.0	-44.71	368.15	5.21	-39.50
CC1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025559381	0	37	-1.0	-44.75	319.87	3.77	-40.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300025559382	0	39	-1.0	-54.18	340.24	4.85	-49.33
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025559383	0	40	-1.0	-45.50	370.95	4.69	-40.81
CC(C)(C)C1=CC=C(OCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025559384	0	53	-1.0	-47.59	430.75	7.14	-40.45
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025559385	0	43	-1.0	-46.39	388.66	5.11	-41.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300025559386	0	29	-1.0	-46.46	284.00	2.72	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300025559387	0	29	-1.0	-52.11	286.74	3.41	-48.70
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300025559388	0	30	-1.0	-46.27	295.05	3.44	-42.83
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300025559389	0	30	-1.0	-43.57	311.78	3.94	-39.63
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300025559390	0	30	-1.0	-43.77	301.45	3.51	-40.26
CCCCN1N=C(C)C(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025559391	0	43	-1.0	-45.55	384.24	3.94	-41.61
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559392	0	44	-1.0	-46.25	400.06	5.38	-40.87
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559393	0	43	-1.0	-58.92	376.31	4.30	-54.62
CC(=O)NC(=CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559394	0	38	-1.0	-51.29	326.60	2.78	-48.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300025559395	0	37	-1.0	-47.63	329.76	3.16	-44.47
CC1=CC=C(OCC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025559396	0	43	-1.0	-56.15	384.62	3.36	-52.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300025559397	0	33	-1.0	-54.16	303.83	2.18	-51.98
CC1=C(C)C2=C(N=CN(CC(=O)NCCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025559398	0	38	-1.0	-57.64	341.96	3.23	-54.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CC=CO1	REAL300025559399	0	38	-1.0	-52.09	341.15	4.53	-47.56
COC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025559400	0	44	-1.0	-54.35	390.26	2.39	-51.96
CSC1=CC=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=C1	REAL300025559401	0	42	-1.0	-51.21	362.82	3.49	-47.72
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2C(=O)O1	REAL300025559402	0	34	-1.0	-54.77	302.40	3.25	-51.52
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCC2)C1	REAL300025559403	0	41	-1.0	-47.64	331.28	1.88	-45.76
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559404	0	45	-1.0	-49.42	388.33	0.65	-48.77
CS(=O)(=O)NCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559405	0	41	-1.0	-56.81	364.73	-0.86	-57.67
O=C(CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559406	0	45	-1.0	-52.69	385.97	4.90	-47.79
CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559407	0	42	-1.0	-70.83	370.69	1.61	-69.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3CCCCC3)C(=O)C2=C1	REAL300025559408	0	47	-1.0	-49.42	387.80	4.27	-45.15
CC1=C(C)C=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025559409	0	39	-1.0	-51.39	334.16	3.78	-47.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300025559410	0	38	-1.0	-45.76	337.31	5.32	-40.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300025559411	0	36	-1.0	-46.39	328.67	3.49	-42.90
CSC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1C1=CC=C(F)C=C1	REAL300025559412	0	38	-1.0	-43.76	351.67	4.60	-39.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300025559413	0	33	-1.0	-50.45	317.14	-0.52	-50.97
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025559414	0	36	-1.0	-44.09	323.03	0.85	-43.24
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)NCCC1=NC(=O)O[N-]1	REAL300025559415	0	41	-1.0	-56.74	355.40	2.28	-54.46
CS(=O)(=O)NCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025559416	0	38	-1.0	-54.11	357.31	-1.71	-55.82
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559417	0	42	-1.0	-52.24	348.31	0.27	-51.97
O=C(CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559418	0	46	-1.0	-56.21	384.15	2.03	-54.18
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559419	0	42	-1.0	-52.52	363.09	1.23	-51.29
CC1=CC=C(C2(C)NC(=O)N(CC(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025559420	0	45	-1.0	-54.24	384.46	1.91	-52.33
CC1(C2CC2)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559421	0	39	-1.0	-52.32	337.64	0.18	-52.14
O=C(CC1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559422	0	36	-1.0	-53.45	354.31	4.36	-49.09
COC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C(OC)=C1	REAL300025559423	0	46	-1.0	-51.42	389.39	1.43	-49.99
CC1CC1C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025559424	0	38	-1.0	-48.22	330.58	3.88	-44.34
COC1=CC(C#N)=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559425	0	36	-1.0	-54.99	326.88	2.26	-52.73
CC1=CC=CC2=C1N=CN(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025559426	0	38	-1.0	-57.11	333.73	3.56	-53.55
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025559427	0	37	-1.0	-53.92	319.95	4.13	-49.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300025559428	0	44	-1.0	-54.77	377.61	7.04	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)SC2=C1CCSC2	REAL300025559429	0	40	-1.0	-47.67	358.68	5.54	-42.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300025559430	0	38	-1.0	-46.01	338.34	4.46	-41.55
CC1=NC(COC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025559431	0	40	-1.0	-50.30	359.60	2.63	-47.67
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559432	0	44	-1.0	-50.37	378.46	-1.50	-51.87
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559433	0	39	-1.0	-47.56	331.36	4.06	-43.50
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559434	0	47	-1.0	-51.86	392.35	5.05	-46.81
CC1CC1C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025559435	0	40	-1.0	-45.95	342.16	4.22	-41.73
O=C(CCN1N=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559436	0	37	-1.0	-50.94	330.84	0.36	-50.58
O=C(CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559437	0	40	-1.0	-54.43	379.95	3.20	-51.23
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(COC2=CC=C(Cl)C=C2)=N1	REAL300025559438	0	40	-1.0	-45.30	376.02	3.13	-42.17
O=C(CC1=COC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559439	0	36	-1.0	-55.95	323.76	0.82	-55.13
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2)=C1	REAL300025559440	0	33	-1.0	-43.31	301.94	2.56	-40.75
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025559441	0	36	-1.0	-50.50	324.94	3.11	-47.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2CCS(=O)(=O)N=C12	REAL300025559442	0	35	-1.0	-82.30	312.85	-0.70	-83.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3=CC=CC=C3)C(=O)NC2=C1	REAL300025559443	0	43	-1.0	-50.49	378.92	3.47	-47.02
CC1=NC(C2=CC=CS2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559444	0	36	-1.0	-45.98	324.05	3.11	-42.87
CC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025559445	0	38	-1.0	-50.56	319.79	2.43	-48.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300025559446	0	39	-1.0	-56.98	339.66	0.05	-56.93
O=C(CN1N=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559447	0	34	-1.0	-55.96	309.81	-0.16	-56.12
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025559448	0	40	-1.0	-53.16	348.04	3.37	-49.79
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1C1=NC2=CC=CC=C2S1	REAL300025559449	0	37	-1.0	-55.21	343.34	1.47	-53.74
COC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025559450	0	40	-1.0	-45.62	356.59	2.37	-43.25
O=C(CCNC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025559451	0	40	-1.0	-45.92	367.47	3.07	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CS2)C1	REAL300025559452	0	42	-1.0	-51.30	373.38	0.38	-50.92
CSCC1=NC2=CC=CC=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559453	0	40	-1.0	-56.58	359.77	4.09	-52.49
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)C=N2	REAL300025559454	0	42	-1.0	-52.22	363.43	2.87	-49.35
CC1CCC2(CC1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025559455	0	45	-1.0	-53.11	364.32	0.53	-52.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=CC=C2S1	REAL300025559456	0	30	-1.0	-46.37	298.28	3.41	-42.96
CCCN1C(=O)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025559457	0	46	-1.0	-51.73	391.85	5.11	-46.62
CC1=CC=C(C2=NN(CC(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025559458	0	38	-1.0	-55.00	341.02	1.90	-53.10
O=C(CCC1=NC(C2=CC=CS2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025559459	0	35	-1.0	-47.56	331.13	0.66	-46.90
COC1=CC=C(Cl)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559460	0	34	-1.0	-47.68	312.97	2.09	-45.59
NC(=O)COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559461	0	39	-1.0	-56.54	345.84	0.16	-56.38
COCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025559462	0	36	-1.0	-44.25	320.97	-1.34	-45.59
NC(=O)COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559463	0	35	-1.0	-65.09	309.21	-0.08	-65.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300025559464	0	41	-1.0	-49.50	372.42	5.45	-44.05
CCN(CC)S(=O)(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C=C1	REAL300025559465	0	47	-1.0	-59.51	410.75	0.57	-58.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300025559466	0	34	-1.0	-44.73	330.15	4.74	-39.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C3OCCOC3=C2)S1	REAL300025559467	0	40	-1.0	-47.95	357.89	3.38	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC=C2S1	REAL300025559468	0	30	-1.0	-47.21	288.78	3.00	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)S1	REAL300025559469	0	34	-1.0	-45.24	313.43	4.23	-41.01
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559470	0	36	-1.0	-55.38	338.01	3.24	-52.14
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559471	0	36	-1.0	-51.40	348.30	3.69	-47.71
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)N=C1	REAL300025559472	0	33	-1.0	-44.48	302.28	1.16	-43.32
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C1C(=O)CC(C)(C)C2	REAL300025559473	0	43	-1.0	-53.38	349.41	2.48	-50.90
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025559474	0	43	-1.0	-49.86	368.25	2.92	-46.94
CCC1=C(C(=O)OC)C(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025559475	0	40	-1.0	-49.14	347.81	2.02	-47.12
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C1C(=O)CCC2	REAL300025559476	0	37	-1.0	-54.36	312.12	1.56	-52.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL300025559477	0	30	-1.0	-44.09	288.81	3.01	-41.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300025559478	0	41	-1.0	-47.38	351.93	4.61	-42.77
O=C(CC1=CSC(C2=CC=CC=N2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559479	0	35	-1.0	-59.27	326.99	1.31	-57.96
CC1=CC=C(C2=NN=C(C3=CC=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C3)O2)C=C1	REAL300025559480	0	45	-1.0	-49.67	396.90	1.92	-47.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300025559481	0	42	-1.0	-52.75	368.66	3.87	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1F	REAL300025559482	0	27	-1.0	-47.97	269.14	2.24	-45.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL300025559483	0	38	-1.0	-50.54	327.51	5.65	-44.89
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559484	0	42	-1.0	-54.64	359.50	3.26	-51.38
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1[N+](=O)[O-]	REAL300025559485	0	41	-1.0	-69.43	361.83	5.22	-64.21
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025559486	0	39	-1.0	-59.51	350.74	4.40	-55.11
O=C(CC1=CSC(NC(=O)C2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559487	0	37	-1.0	-53.61	355.52	1.47	-52.14
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559488	0	37	-1.0	-54.83	347.63	0.48	-54.35
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025559489	0	29	-1.0	-52.53	290.94	-4.55	-57.08
NC(=O)CSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559490	0	35	-1.0	-59.68	316.50	-0.54	-60.22
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(N)=O	REAL300025559491	0	43	-1.0	-59.59	375.05	-0.10	-59.69
COC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025559492	0	43	-1.0	-54.21	380.76	-2.87	-57.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300025559493	0	33	-1.0	-44.79	316.97	2.42	-42.37
COC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025559494	0	41	-1.0	-47.14	369.21	1.56	-45.58
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559495	0	42	-1.0	-63.85	354.14	3.22	-60.63
CC1=NC(COC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025559496	0	40	-1.0	-51.90	357.37	3.83	-48.07
CCOC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025559497	0	40	-1.0	-53.29	348.04	3.36	-49.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2)O1	REAL300025559498	0	43	-1.0	-57.01	374.52	4.66	-52.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CSC=N1	REAL300025559499	0	37	-1.0	-51.36	335.42	3.12	-48.24
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C(N=CN(C)C2=O)O1	REAL300025559500	0	35	-1.0	-60.10	316.64	-0.13	-60.23
CC(C)NC(=O)NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559501	0	42	-1.0	-47.38	350.97	1.16	-46.22
CC1=CC=C(C2=CN=C(C3=CC=CC=C3C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025559502	0	46	-1.0	-57.13	395.92	5.34	-51.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN1	REAL300025559503	0	25	-1.0	-47.06	252.11	-0.04	-47.10
COC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025559504	0	37	-1.0	-45.59	340.00	1.66	-43.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2SC=CN2C1=O	REAL300025559505	0	29	-1.0	-51.62	276.88	0.84	-50.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300025559506	0	44	-1.0	-46.42	387.51	7.64	-38.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2SCCN2C1=O	REAL300025559507	0	31	-1.0	-50.66	286.12	0.53	-50.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300025559508	0	33	-1.0	-45.62	305.94	2.57	-43.05
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CC=C1	REAL300025559509	0	44	-1.0	-48.86	363.99	5.79	-43.07
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(N)(=O)=O	REAL300025559510	0	35	-1.0	-55.89	312.52	-2.80	-58.69
CC1=NC(CSCC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025559511	0	33	-1.0	-51.22	318.94	1.27	-49.95
O=C(CCSC1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025559512	0	34	-1.0	-46.12	313.89	3.52	-42.60
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559513	0	34	-1.0	-44.44	301.16	1.37	-43.07
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559514	0	37	-1.0	-55.00	346.70	-0.96	-55.96
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC(N)=O	REAL300025559515	0	43	-1.0	-54.11	373.68	-1.48	-55.59
O=C(CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559516	0	46	-1.0	-54.19	388.83	6.33	-47.86
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559517	0	31	-1.0	-44.62	311.30	3.77	-40.85
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025559518	0	37	-1.0	-48.13	325.06	2.40	-45.73
O=C(CSC1=NC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025559519	0	33	-1.0	-50.53	311.93	-0.35	-50.88
O=C(CSC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025559520	0	31	-1.0	-49.76	301.46	3.13	-46.63
CCOC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025559521	0	42	-1.0	-49.46	358.32	2.88	-46.58
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CS(=O)(=O)C2=CC=CC=C2)C=CO1	REAL300025559522	0	40	-1.0	-54.75	365.42	1.05	-53.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=CC=C1Cl	REAL300025559523	0	41	-1.0	-50.10	364.31	6.54	-43.56
O=C(CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559524	0	48	-1.0	-53.96	405.04	2.21	-51.75
O=C(COC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025559525	0	31	-1.0	-49.70	309.61	3.16	-46.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025559526	0	27	-1.0	-42.54	275.18	2.51	-40.03
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025559527	0	39	-1.0	-46.94	335.09	0.68	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=CC=C2O1	REAL300025559528	0	32	-1.0	-46.59	293.31	1.80	-44.79
COC1=CC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559529	0	37	-1.0	-50.66	316.50	4.38	-46.28
O=C(COC1=CC=CC=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559530	0	41	-1.0	-52.00	355.58	5.81	-46.19
CC(C)C1=CC=C(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559531	0	47	-1.0	-47.74	408.48	6.52	-41.22
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCOCC2)C=CS1	REAL300025559532	0	40	-1.0	-59.77	354.69	-0.89	-60.66
COC1=CC2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025559533	0	39	-1.0	-49.79	330.28	1.90	-47.89
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025559534	0	42	-1.0	-53.12	359.84	1.34	-51.78
CC(C)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559535	0	40	-1.0	-46.16	336.17	3.27	-42.89
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC(F)(F)F	REAL300025559536	0	37	-1.0	-48.94	324.52	3.25	-45.69
O=C(CN1N=C(C2=CC=CS2)OC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559537	0	33	-1.0	-54.64	322.37	-0.89	-55.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1	REAL300025559538	0	44	-1.0	-54.28	380.44	5.35	-48.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1	REAL300025559539	0	38	-1.0	-46.38	360.17	4.26	-42.12
O=C(CNC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559540	0	34	-1.0	-44.71	308.67	0.10	-44.61
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559541	0	40	-1.0	-45.87	342.13	0.65	-45.22
O=C(CC1=CC=C(S(=O)(=O)N2CCCC2)S1)NCCC1=NC(=O)O[N-]1	REAL300025559542	0	42	-1.0	-54.95	382.26	0.53	-54.42
N#CC1=CC=C(CSC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559543	0	42	-1.0	-51.41	381.26	6.82	-44.59
CC1=CC=C(S(=O)(=O)NC(CC(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559544	0	50	-1.0	-55.48	415.25	1.59	-53.89
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559545	0	49	-1.0	-55.85	400.52	2.98	-52.87
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559546	0	33	-1.0	-53.04	303.95	-0.92	-53.96
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025559547	0	40	-1.0	-47.42	349.58	4.90	-42.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NC2=CC=CC=C21	REAL300025559548	0	42	-1.0	-48.26	374.96	6.20	-42.06
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559549	0	38	-1.0	-49.44	351.40	0.05	-49.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025559550	0	30	-1.0	-44.47	282.01	2.54	-41.93
CC1=CSC(SCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025559551	0	40	-1.0	-50.08	372.85	4.10	-45.98
O=C(NCCC1=NC(=O)O[N-]1)C1CSC2(C3=CC=C(F)C=C3)CCC(=O)N12	REAL300025559552	0	43	-1.0	-48.51	365.45	3.50	-45.01
CC1=CC=C(C(C)C)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559553	0	43	-1.0	-49.80	356.87	4.74	-45.06
O=C(CC1=CC(Cl)=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559554	0	36	-1.0	-50.99	328.40	1.91	-49.08
COC1=CC=CC=C1OCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559555	0	38	-1.0	-47.81	327.04	1.75	-46.06
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025559556	0	47	-1.0	-47.00	362.12	5.15	-41.85
CNS(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559557	0	39	-1.0	-52.01	354.39	-1.09	-53.10
CCOC(=O)C1=C(C)N(CC)C(C)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559558	0	50	-1.0	-51.23	426.13	5.90	-45.33
COC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025559559	0	37	-1.0	-49.74	326.14	1.28	-48.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300025559560	0	37	-1.0	-48.24	344.18	3.57	-44.67
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559561	0	43	-1.0	-59.25	358.20	-0.99	-60.24
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCC1=NC(=O)O[N-]1	REAL300025559562	0	44	-1.0	-57.82	369.83	-0.17	-57.99
CC1OC2=CC=CC=C2N(CCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559563	0	42	-1.0	-48.34	355.76	2.13	-46.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300025559564	0	39	-1.0	-47.25	352.22	6.72	-40.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(C(F)(F)F)C=N2)C=C1	REAL300025559565	0	40	-1.0	-47.67	369.02	2.91	-44.76
COCC1=NC(OC)=C2C(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=N1	REAL300025559566	0	42	-1.0	-45.44	371.76	-0.88	-46.32
CS(=O)(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559567	0	38	-1.0	-50.03	313.72	-1.00	-51.03
CS(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559568	0	35	-1.0	-51.52	318.95	0.77	-50.75
CC1=CC=C(NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559569	0	42	-1.0	-48.24	355.10	4.85	-43.39
C=CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025559570	0	42	-1.0	-45.96	357.91	2.81	-43.15
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559571	0	39	-1.0	-49.48	340.10	0.57	-48.91
CCN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC(C)=C1	REAL300025559572	0	46	-1.0	-49.75	400.60	5.90	-43.85
COC1=CC=C(C)C=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025559573	0	45	-1.0	-51.60	381.26	2.82	-48.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300025559574	0	33	-1.0	-45.27	310.57	2.35	-42.92
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300025559575	0	36	-1.0	-43.89	343.91	3.58	-40.31
O=C(CC1=CSC(C2=CSC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559576	0	33	-1.0	-52.27	322.62	2.10	-50.17
CN1C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559577	0	28	-1.0	-43.89	270.44	1.60	-42.29
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300025559578	0	44	-1.0	-51.76	375.63	5.40	-46.36
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559579	0	43	-1.0	-55.57	369.47	2.83	-52.74
O=C(NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300025559580	0	44	-1.0	-46.52	381.21	4.10	-42.42
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OC(C)C2	REAL300025559581	0	39	-1.0	-47.30	329.79	1.45	-45.85
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025559582	0	50	-1.0	-50.29	385.07	2.25	-48.04
CC(C)(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025559583	0	52	-1.0	-46.20	393.65	4.26	-41.94
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559584	0	38	-1.0	-51.48	343.42	-0.39	-51.87
CCOC1=CC=CC=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559585	0	38	-1.0	-50.10	328.05	3.02	-47.08
CC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025559586	0	34	-1.0	-45.43	313.26	3.83	-41.60
O=C(CNC(=O)C1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559587	0	34	-1.0	-45.29	323.57	0.64	-44.65
COC1=CC=C(SCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559588	0	38	-1.0	-46.12	337.60	2.78	-43.34
CC(C)[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559589	0	45	-1.0	-51.73	383.25	0.04	-51.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300025559590	0	37	-1.0	-50.65	309.21	4.90	-45.75
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300025559591	0	44	-1.0	-47.97	365.52	3.36	-44.61
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC2=CC=C(F)C=C2)=N1	REAL300025559592	0	39	-1.0	-46.09	357.23	3.87	-42.22
O=C(C=CC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025559593	0	31	-1.0	-46.36	308.82	3.68	-42.68
O=C(CC1=CC(F)=CC2=C1OCOC2)NCCC1=NC(=O)O[N-]1	REAL300025559594	0	36	-1.0	-50.85	317.65	1.41	-49.44
O=C(CCN1C=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559595	0	38	-1.0	-52.12	334.61	3.18	-48.94
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)NCCC1=NC(=O)O[N-]1)=C2C	REAL300025559596	0	45	-1.0	-55.86	379.53	4.23	-51.63
CC1=CC=CC2=C1N=CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025559597	0	41	-1.0	-52.14	354.76	4.01	-48.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL300025559598	0	41	-1.0	-47.44	346.62	2.92	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL300025559599	0	35	-1.0	-48.76	303.05	0.72	-48.04
COC1=CC=C(N2C(C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025559600	0	45	-1.0	-47.84	379.39	4.78	-43.06
CN1C=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559601	0	33	-1.0	-51.38	305.14	-4.14	-55.52
CSC1=CC=C([N+](=O)[O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559602	0	33	-1.0	-54.38	307.80	4.25	-50.13
O=C(CC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559603	0	33	-1.0	-47.33	306.66	3.22	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCCC2)C=CS1	REAL300025559604	0	42	-1.0	-59.26	362.04	1.58	-57.68
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025559605	0	35	-1.0	-48.59	323.26	2.60	-45.99
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1	REAL300025559606	0	47	-1.0	-47.98	380.34	5.42	-42.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1	REAL300025559607	0	40	-1.0	-59.37	350.07	1.79	-57.58
CC(C)(C)C(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559608	0	43	-1.0	-58.12	337.74	2.54	-55.58
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559609	0	44	-1.0	-49.29	381.79	4.32	-44.97
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559610	0	46	-1.0	-49.52	387.41	0.93	-48.59
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300025559611	0	37	-1.0	-55.14	338.37	2.39	-52.75
CC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025559612	0	40	-1.0	-49.42	354.21	4.35	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300025559613	0	36	-1.0	-43.29	329.70	2.16	-41.13
COC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025559614	0	39	-1.0	-46.63	330.23	1.89	-44.74
O=C(COC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025559615	0	48	-1.0	-58.01	393.65	4.28	-53.73
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025559616	0	35	-1.0	-47.05	325.46	-2.42	-49.47
CC1CN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)CC(C)O1	REAL300025559617	0	45	-1.0	-45.86	367.31	1.23	-44.63
O=C(CN1C=C(Br)C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559618	0	30	-1.0	-52.99	293.39	1.42	-51.57
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559619	0	35	-1.0	-48.30	332.99	-2.38	-50.68
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025559620	0	37	-1.0	-51.03	335.57	-0.22	-51.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300025559621	0	34	-1.0	-45.37	321.48	2.09	-43.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300025559622	0	34	-1.0	-48.64	314.14	2.25	-46.39
CCOC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025559623	0	40	-1.0	-45.27	361.85	2.58	-42.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300025559624	0	39	-1.0	-46.71	351.89	-1.26	-47.97
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559625	0	42	-1.0	-51.29	365.98	3.28	-48.01
COC1=CC=C(C(=O)NCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559626	0	44	-1.0	-50.65	375.31	0.78	-49.87
O=C(CCOC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559627	0	34	-1.0	-44.74	319.09	2.47	-42.27
COC1=CC=C2OCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=C1	REAL300025559628	0	39	-1.0	-46.39	327.40	1.35	-45.04
O=C(CNS(=O)(=O)C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025559629	0	32	-1.0	-50.68	313.95	-3.07	-53.75
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559630	0	48	-1.0	-62.69	391.21	4.74	-57.95
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025559631	0	41	-1.0	-50.55	351.46	1.77	-48.78
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025559632	0	37	-1.0	-56.20	349.44	4.03	-52.17
CC1=CC(C)=NC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=NN21	REAL300025559633	0	34	-1.0	-54.30	307.17	2.85	-51.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025559634	0	37	-1.0	-47.54	319.25	3.10	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=N1	REAL300025559635	0	33	-1.0	-47.04	316.37	1.89	-45.15
CCOC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025559636	0	38	-1.0	-44.07	348.11	2.47	-41.60
O=C(CSC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559637	0	37	-1.0	-50.89	330.94	1.82	-49.07
COC1=CC=C(Br)C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559638	0	35	-1.0	-48.02	327.48	2.72	-45.30
CC1=C(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025559639	0	37	-1.0	-50.24	316.83	2.80	-47.44
O=C(CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559640	0	44	-1.0	-53.64	390.04	0.85	-52.79
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3	REAL300025559641	0	36	-1.0	-46.96	339.51	2.56	-44.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1	REAL300025559642	0	40	-1.0	-47.13	357.25	4.39	-42.74
CCCN1C2=CC=C(OC)C=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025559643	0	47	-1.0	-52.57	392.69	4.57	-48.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCOCC2)=CC=N1	REAL300025559644	0	39	-1.0	-46.52	324.80	-1.34	-47.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025559645	0	30	-1.0	-45.49	302.19	1.37	-44.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300025559646	0	41	-1.0	-48.19	347.39	4.94	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C=C1	REAL300025559647	0	39	-1.0	-43.85	346.34	2.57	-41.28
N#CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559648	0	36	-1.0	-53.11	328.47	2.76	-50.35
CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025559649	0	46	-1.0	-48.20	396.70	4.71	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300025559650	0	38	-1.0	-47.75	345.62	4.45	-43.30
CCN1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025559651	0	40	-1.0	-56.28	349.33	3.90	-52.38
CC1=NC(SCC(=O)NCCC2=NC(=O)O[N-]2)=C(C#N)C(C)=C1C	REAL300025559652	0	40	-1.0	-52.18	357.89	3.00	-49.18
CC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025559653	0	37	-1.0	-45.67	319.24	2.77	-42.90
NS(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559654	0	36	-1.0	-52.64	332.02	-2.31	-54.95
CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025559655	0	36	-1.0	-45.31	324.79	4.13	-41.18
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(S(N)(=O)=O)=C1C	REAL300025559656	0	38	-1.0	-55.61	329.85	-2.22	-57.83
CC1=NC(C2=CC=C(C)C=C2)=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025559657	0	42	-1.0	-49.50	367.24	4.02	-45.48
COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559658	0	48	-1.0	-47.84	407.55	3.18	-44.66
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559659	0	38	-1.0	-49.75	340.31	-1.42	-51.17
CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025559660	0	38	-1.0	-48.45	323.77	1.68	-46.77
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025559661	0	39	-1.0	-56.83	339.86	-2.42	-59.25
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559662	0	44	-1.0	-49.61	380.73	0.04	-49.57
O=C(NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC=C1	REAL300025559663	0	38	-1.0	-47.54	340.87	2.89	-44.65
CSC1=NC(C2CC2)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C#N	REAL300025559664	0	38	-1.0	-51.86	347.23	3.20	-48.66
COCCOC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025559665	0	44	-1.0	-55.06	381.66	2.67	-52.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=C1CCCCCN1C2=O	REAL300025559666	0	45	-1.0	-51.45	366.07	3.94	-47.51
O=C(CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559667	0	47	-1.0	-54.90	402.49	5.07	-49.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025559668	0	43	-1.0	-53.72	372.70	4.42	-49.30
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025559669	0	48	-1.0	-50.28	410.33	-0.69	-50.97
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025559670	0	44	-1.0	-48.00	367.13	3.38	-44.62
O=C(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559671	0	44	-1.0	-54.25	384.85	-2.14	-56.39
O=C(C=CC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559672	0	34	-1.0	-47.82	316.56	3.74	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)S1	REAL300025559673	0	36	-1.0	-46.64	349.27	3.89	-42.75
O=C(CCCSC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559674	0	37	-1.0	-48.25	346.35	4.77	-43.48
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300025559675	0	38	-1.0	-60.80	336.09	2.95	-57.85
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559676	0	43	-1.0	-45.11	389.82	4.69	-40.42
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1	REAL300025559677	0	41	-1.0	-63.57	354.93	-0.62	-64.19
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559678	0	36	-1.0	-56.91	322.72	2.83	-54.08
N#CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025559679	0	42	-1.0	-50.02	355.99	2.49	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300025559680	0	41	-1.0	-48.27	358.21	4.59	-43.68
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1C=CC=C1	REAL300025559681	0	38	-1.0	-48.99	325.33	5.08	-43.91
O=C(CNC(=O)NC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559682	0	36	-1.0	-46.83	317.02	-0.74	-47.57
O=C(C=CC1=CC=C2OCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559683	0	36	-1.0	-47.76	313.73	2.59	-45.17
CC1OC2=CC=CC=C2N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025559684	0	39	-1.0	-53.99	334.74	1.67	-52.32
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CO2)=C1	REAL300025559685	0	38	-1.0	-49.24	348.42	1.38	-47.86
CC(NC(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559686	0	34	-1.0	-45.81	313.98	-0.12	-45.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NN1C1=CC=CC=C1	REAL300025559687	0	41	-1.0	-46.25	362.49	4.78	-41.47
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559688	0	37	-2.0	-98.58	332.51	-0.71	-99.29
O=C(C=CC1=CC=C(N2CCCC2=O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559689	0	42	-1.0	-52.51	355.47	3.86	-48.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=N1	REAL300025559690	0	33	-1.0	-43.69	321.89	1.86	-41.83
CC1=NN(C)C(Cl)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559691	0	34	-1.0	-46.22	319.43	1.53	-44.69
CC1=CC=C(C2=CN=C(CCC(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025559692	0	42	-1.0	-47.71	365.91	2.18	-45.53
CC1=CC=C(C)N1C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559693	0	41	-1.0	-44.99	362.27	6.04	-38.95
O=C(CN1C(COC2=CC=CC=C2)=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559694	0	47	-1.0	-59.79	404.92	5.56	-54.23
CC1=NN(C)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025559695	0	33	-1.0	-46.09	306.94	1.22	-44.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300025559696	0	34	-1.0	-46.23	317.11	2.23	-44.00
O=C(CCOC1=CC=CC=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559697	0	44	-1.0	-46.83	376.53	5.61	-41.22
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300025559698	0	41	-1.0	-49.62	351.80	4.53	-45.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL300025559699	0	37	-1.0	-52.37	315.58	0.27	-52.10
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559700	0	40	-1.0	-45.58	374.80	4.08	-41.50
CC(C)N1N=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025559701	0	38	-1.0	-46.93	330.37	2.26	-44.67
O=C(NCCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C=CO1	REAL300025559702	0	38	-1.0	-46.16	335.99	2.89	-43.27
CC1=NOC2=NC(C(C)C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559703	0	40	-1.0	-45.33	334.09	0.40	-44.93
CC1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559704	0	38	-1.0	-45.54	323.67	0.57	-44.97
COC1=CC=C(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559705	0	38	-1.0	-51.34	328.67	0.85	-50.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300025559706	0	34	-1.0	-50.22	305.55	1.62	-48.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300025559707	0	34	-1.0	-49.92	315.86	2.06	-47.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300025559708	0	40	-1.0	-54.41	345.82	0.69	-53.72
O=C(C=CC1=CC=CC(OCC2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025559709	0	45	-1.0	-49.56	389.08	6.01	-43.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL300025559710	0	44	-1.0	-51.17	365.17	0.41	-50.76
CSC1=NC(C)=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025559711	0	39	-1.0	-51.85	348.00	0.75	-51.10
CSC1=NC(C)=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL300025559711	1	38	-2.0	-94.48	344.76	-0.39	-94.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL300025559712	0	35	-1.0	-49.53	322.49	1.13	-48.40
O=C(CC1SC2=CC=C(Cl)C=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559713	0	36	-1.0	-46.70	341.10	1.71	-44.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300025559714	0	38	-1.0	-49.02	322.12	2.47	-46.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)N1CCOCC1	REAL300025559715	0	43	-1.0	-63.65	357.69	0.72	-62.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300025559716	0	33	-1.0	-43.86	317.33	1.76	-42.10
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559717	0	38	-1.0	-49.25	335.96	-1.62	-50.87
O=C(C=CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)NCCC1=NC(=O)O[N-]1	REAL300025559718	0	40	-1.0	-53.12	371.07	6.08	-47.04
CC1CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025559719	0	49	-1.0	-46.88	389.96	2.41	-44.47
CC1C[NH+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025559719	1	50	0.0	-78.07	396.53	4.33	-73.74
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559720	0	35	-1.0	-47.25	307.25	2.66	-44.59
C#CCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559721	0	37	-1.0	-51.19	346.67	-0.95	-52.14
COCCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559722	0	42	-1.0	-51.19	374.27	-2.34	-53.53
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559723	0	44	-1.0	-49.27	377.23	0.92	-48.35
COC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025559724	0	36	-1.0	-45.80	316.11	1.29	-44.51
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(N)=O	REAL300025559725	0	39	-1.0	-51.22	360.49	-0.62	-51.84
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559726	0	42	-1.0	-48.84	368.37	0.05	-48.79
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C21	REAL300025559727	0	45	-1.0	-46.45	397.47	4.90	-41.55
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C21	REAL300025559728	0	45	-1.0	-47.22	389.60	3.96	-43.26
CCN1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C21	REAL300025559729	0	45	-1.0	-47.93	383.80	5.13	-42.80
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1	REAL300025559730	0	40	-1.0	-43.65	351.33	3.03	-40.62
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025559731	0	33	-1.0	-44.41	300.96	1.51	-42.90
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300025559732	0	41	-1.0	-48.79	349.57	2.80	-45.99
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)NCCC1=NC(=O)O[N-]1	REAL300025559733	0	39	-1.0	-47.81	378.01	2.58	-45.23
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025559734	0	39	-1.0	-48.43	352.03	1.58	-46.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCNC(=O)C2)C=C1	REAL300025559735	0	43	-1.0	-55.77	377.18	-2.41	-58.18
CC1=CC=CC(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025559736	0	40	-1.0	-46.43	334.87	3.14	-43.29
CC1=NC(COC2=CC=CC(C=CC(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025559737	0	44	-1.0	-49.81	394.14	3.83	-45.98
CS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025559738	0	38	-1.0	-50.96	323.93	-1.78	-52.74
O=C(NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025559739	0	38	-1.0	-48.56	343.05	3.01	-45.55
CC1=CC=C(N2C=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025559740	0	43	-1.0	-48.88	381.86	6.41	-42.47
CC1=NOC2=NC(C3=CC=C(F)C=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559741	0	41	-1.0	-46.24	356.97	2.36	-43.88
CC1=C(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)C=C(C#N)N1C	REAL300025559742	0	37	-1.0	-48.83	339.65	3.22	-45.61
O=C(C=CC1=CC=CC2=CC=CN=C12)NCCC1=NC(=O)O[N-]1	REAL300025559743	0	36	-1.0	-54.68	318.66	3.27	-51.41
CC1=NN(C)C2=NC(C)=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025559744	0	47	-1.0	-49.65	383.07	3.60	-46.05
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559745	0	42	-1.0	-50.72	365.54	4.94	-45.78
CC(=O)NC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559746	0	38	-1.0	-53.92	333.81	1.64	-52.28
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025559747	0	40	-1.0	-45.89	347.67	3.88	-42.01
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300025559748	0	35	-1.0	-52.44	310.01	0.64	-51.80
O=C(CCNC(=O)CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025559749	0	40	-1.0	-56.97	349.02	1.34	-55.63
CC1=NC(COC2=CC=C(C=CC(=O)NCCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025559750	0	44	-1.0	-49.14	394.08	3.83	-45.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)NC1=O	REAL300025559751	0	30	-1.0	-46.53	284.60	-0.34	-46.87
O=C(CCC1CC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025559752	0	41	-1.0	-47.80	344.97	1.91	-45.89
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559753	0	37	-1.0	-47.59	309.82	3.05	-44.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300025559754	0	36	-1.0	-44.78	323.32	2.09	-42.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)(F)F	REAL300025559755	0	33	-1.0	-53.39	309.75	0.90	-52.49
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1)C1=CC=CC=C1	REAL300025559756	0	41	-1.0	-48.73	358.95	5.89	-42.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(F)C=C1	REAL300025559757	0	41	-1.0	-52.20	358.81	6.14	-46.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCCOC1=CC=CC=C1	REAL300025559758	0	45	-1.0	-56.30	382.32	5.80	-50.50
COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1OC(F)F	REAL300025559759	0	35	-1.0	-52.03	309.76	2.14	-49.89
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559760	0	44	-1.0	-53.80	367.32	6.64	-47.16
CS(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559761	0	33	-1.0	-52.83	291.31	0.11	-52.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC(F)F	REAL300025559762	0	31	-1.0	-47.78	288.63	2.78	-45.00
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(N2C=CC=C2)S1	REAL300025559763	0	38	-1.0	-48.15	336.57	4.63	-43.52
CC1=NOC(CSC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559764	0	40	-1.0	-53.26	357.33	4.58	-48.68
CC1=NC(COC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025559765	0	39	-1.0	-58.17	343.97	1.58	-56.59
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)C=CS1	REAL300025559766	0	32	-1.0	-48.76	294.95	3.49	-45.27
CC1=NC(CSC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025559767	0	40	-1.0	-52.62	366.99	4.11	-48.51
COC1=CC(Br)=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559768	0	35	-1.0	-46.39	322.32	2.07	-44.32
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025559769	0	37	-1.0	-50.48	319.28	2.77	-47.71
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)NCCC1=NC(=O)O[N-]1	REAL300025559770	0	39	-1.0	-47.61	359.81	1.89	-45.72
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025559771	0	39	-1.0	-46.92	361.24	2.02	-44.90
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025559772	0	39	-1.0	-49.19	359.22	1.71	-47.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1	REAL300025559773	0	42	-1.0	-47.55	369.50	4.57	-42.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300025559774	0	39	-1.0	-44.14	365.87	4.07	-40.07
COC1=CC=C(N2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025559775	0	40	-1.0	-44.89	346.68	1.02	-43.87
CC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025559776	0	37	-1.0	-45.46	326.15	2.25	-43.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NN1	REAL300025559777	0	34	-1.0	-44.39	321.48	2.09	-42.30
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300025559778	0	33	-1.0	-43.39	318.67	3.08	-40.31
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300025559779	0	33	-1.0	-45.02	310.03	2.69	-42.33
CCOC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025559780	0	40	-1.0	-43.59	331.23	-0.38	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC=CC=C21	REAL300025559781	0	35	-1.0	-52.24	303.59	0.57	-51.67
CC1=NC(CSC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025559782	0	40	-1.0	-48.38	371.31	4.11	-44.27
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025559783	0	37	-1.0	-45.82	335.96	3.62	-42.20
O=C(C=CC1=CC=C(C2=CC=CC(Cl)=C2)S1)NCCC1=NC(=O)O[N-]1	REAL300025559784	0	38	-1.0	-47.02	362.82	6.03	-40.99
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C(C2=CC=CO2)=C1	REAL300025559785	0	41	-1.0	-46.08	380.16	4.82	-41.26
CC(C)C1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025559786	0	47	-1.0	-46.85	400.39	3.58	-43.27
CC1=CC=CC(COC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025559787	0	44	-1.0	-50.55	375.96	5.48	-45.07
CC1=NN(C)C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025559788	0	35	-1.0	-47.05	309.75	1.28	-45.77
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C(C2=CC=CO2)=C1	REAL300025559789	0	41	-1.0	-47.93	380.17	4.81	-43.12
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025559790	0	37	-1.0	-47.55	328.39	2.06	-45.49
COC1=CC=C(Cl)C=C1C(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559791	0	45	-1.0	-54.18	384.80	3.12	-51.06
COC1=C(OC)C(OC)=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025559792	0	43	-1.0	-46.32	372.92	0.73	-45.59
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025559793	0	42	-1.0	-50.83	359.87	4.95	-45.88
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025559794	0	39	-1.0	-53.97	344.28	1.35	-52.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300025559795	0	36	-1.0	-46.29	325.84	1.71	-44.58
COC1=CC=CC=C1C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025559796	0	37	-1.0	-45.62	332.83	1.99	-43.63
CC(C)C1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559797	0	40	-1.0	-50.12	337.06	4.01	-46.11
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559798	0	42	-1.0	-46.31	354.47	3.08	-43.23
CC1=NN(C)C2=NC(C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559799	0	38	-1.0	-47.56	325.76	1.72	-45.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CN3C=CC=CC3=N2)C=C1	REAL300025559800	0	44	-1.0	-53.54	391.71	6.90	-46.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)F	REAL300025559801	0	30	-1.0	-49.73	287.28	1.60	-48.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025559802	0	30	-1.0	-51.20	273.47	2.58	-48.62
NC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025559803	0	39	-1.0	-46.60	329.39	-1.40	-48.00
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(COC2=CC=C(F)C=C2)=N1	REAL300025559804	0	40	-1.0	-45.84	365.70	2.68	-43.16
CN1C(=O)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025559805	0	40	-1.0	-51.73	348.54	3.40	-48.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCC2)C=CS1	REAL300025559806	0	39	-1.0	-49.98	342.89	0.44	-49.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(OC(F)F)C=CC=C2N1	REAL300025559807	0	35	-1.0	-48.81	316.41	1.05	-47.76
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025559808	0	39	-1.0	-47.80	344.52	1.50	-46.30
O=C(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559809	0	39	-1.0	-51.56	370.30	4.17	-47.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300025559810	0	34	-1.0	-44.73	311.15	1.65	-43.08
CC1=CC=C(C(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025559811	0	47	-1.0	-48.59	380.52	3.97	-44.62
CC1=CC(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)S1	REAL300025559812	0	44	-1.0	-44.63	383.55	3.47	-41.16
CC1=NOC2=NC(C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559813	0	34	-1.0	-47.08	295.61	-0.83	-47.91
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559814	0	38	-1.0	-44.92	335.47	0.35	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)C=C1	REAL300025559815	0	37	-1.0	-51.82	327.08	3.20	-48.62
CC1=CC(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300025559816	0	44	-1.0	-45.32	373.96	2.46	-42.86
NC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025559817	0	36	-1.0	-52.42	330.81	-1.90	-54.32
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025559818	0	29	-1.0	-48.54	284.20	-5.46	-54.00
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300025559819	0	35	-1.0	-52.24	317.78	2.94	-49.30
CC1=CN2C=C(COC3=CC=CC(C(=O)NCCC4=NC(=O)O[N-]4)=C3)N=C2C=C1	REAL300025559820	0	47	-1.0	-53.74	401.83	6.00	-47.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300025559821	0	36	-1.0	-54.13	321.83	4.63	-49.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)N=C1	REAL300025559822	0	39	-1.0	-46.22	324.94	-0.24	-46.46
CC1=CC=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=C1C	REAL300025559823	0	44	-1.0	-50.50	367.34	4.30	-46.20
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)OC2=CC=CC=C21	REAL300025559824	0	36	-1.0	-60.20	314.75	2.95	-57.25
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025559825	0	36	-1.0	-53.89	315.55	-2.28	-56.17
CC1=CC(N2C(C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025559826	0	40	-1.0	-48.71	345.62	4.40	-44.31
CN1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025559827	0	37	-1.0	-56.39	327.52	2.95	-53.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)F)C=C1	REAL300025559828	0	31	-1.0	-46.03	292.95	2.79	-43.24
O=C(C=CC1=CC=CC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025559829	0	37	-1.0	-48.76	321.14	4.89	-43.87
O=C(CCN1C=NC2=C(C=CS2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559830	0	35	-1.0	-52.73	325.16	2.27	-50.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300025559831	0	39	-1.0	-67.97	340.79	0.13	-67.84
CC1=CN2C=C(COC3=CC=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C3)N=C2C=C1	REAL300025559832	0	47	-1.0	-52.65	401.75	6.00	-46.65
CC1=CC=CN2C=C(COC3=CC=CC=C3C(=O)NCCC3=NC(=O)O[N-]3)N=C12	REAL300025559833	0	47	-1.0	-55.39	399.73	7.16	-48.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1	REAL300025559834	0	40	-1.0	-51.44	366.37	4.78	-46.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)N=C1	REAL300025559835	0	33	-1.0	-45.13	311.84	-0.34	-45.47
CC1=CC=C(CNC(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559836	0	42	-1.0	-45.94	364.25	0.08	-45.86
O=C(CNC(=O)NCC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559837	0	39	-1.0	-46.18	349.25	-0.53	-46.71
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559838	0	35	-1.0	-45.48	334.00	4.19	-41.29
CCC(C)C1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559839	0	43	-1.0	-50.06	353.91	4.73	-45.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2OC1	REAL300025559840	0	33	-1.0	-45.57	310.51	2.68	-42.89
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025559841	0	36	-1.0	-52.30	331.12	1.48	-50.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2NC1=O	REAL300025559842	0	33	-1.0	-49.50	292.41	0.89	-48.61
CC(C)(C)C1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559843	0	43	-1.0	-47.20	362.61	5.00	-42.20
CC1=CC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)SC2=C1	REAL300025559844	0	35	-1.0	-45.70	312.17	3.72	-41.98
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(F)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025559845	0	47	-1.0	-48.35	403.96	6.49	-41.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025559846	0	45	-1.0	-52.75	368.91	2.37	-50.38
CS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559847	0	35	-1.0	-51.31	316.70	-1.75	-53.06
CC1=CC=C(CNC(=O)NC(CC(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559848	0	54	-1.0	-44.37	432.39	2.58	-41.79
CC(C)(C)C1CCC2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025559849	0	54	-1.0	-46.65	417.09	6.04	-40.61
CC1=NC(COC2=CC=CC=C2C=CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025559850	0	44	-1.0	-51.32	393.02	3.89	-47.43
COC1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025559851	0	42	-1.0	-47.62	369.67	0.98	-46.64
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025559852	0	37	-1.0	-47.05	334.86	2.88	-44.17
COC1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025559853	0	42	-1.0	-57.80	359.11	2.25	-55.55
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(N2CCOCC2)=N1	REAL300025559854	0	48	-1.0	-53.66	391.39	2.31	-51.35
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025559854	1	47	-2.0	-95.70	390.35	1.47	-94.23
CCCC(NC(=O)NCC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559855	0	48	-1.0	-45.16	403.96	1.49	-43.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1	REAL300025559856	0	45	-1.0	-52.81	387.66	2.13	-50.68
O=C(CN1C(=O)C2=CC=C(Br)C=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559857	0	34	-1.0	-51.98	334.42	2.02	-49.96
C=CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025559858	0	39	-2.0	-88.24	358.71	3.39	-84.85
C=CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025559858	1	40	-1.0	-48.10	361.82	3.82	-44.28
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025559859	0	35	-2.0	-87.08	324.16	1.90	-85.18
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025559859	1	36	-1.0	-48.32	327.25	2.34	-45.98
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559860	0	37	-1.0	-47.04	320.14	3.50	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC1=CC=CC=C1	REAL300025559861	0	40	-1.0	-46.47	337.27	5.75	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300025559862	0	41	-1.0	-46.64	328.60	4.03	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300025559863	0	41	-1.0	-46.94	324.10	3.93	-43.01
CC1=CC=C(C23CC4CC(CC(C(=O)NCCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025559864	0	54	-1.0	-45.90	401.90	7.30	-38.60
O=C(CN1N=C2C=CC=CN2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025559865	0	33	-1.0	-59.02	301.63	1.93	-57.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025559866	0	41	-1.0	-48.36	364.76	5.05	-43.31
CC1=CC=C(N2C=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025559867	0	40	-1.0	-47.61	378.91	6.30	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)C2=CC=CC=C2N=C1	REAL300025559868	0	35	-1.0	-48.33	309.64	2.75	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCC1	REAL300025559869	0	37	-1.0	-45.54	317.13	3.89	-41.65
CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559870	0	41	-1.0	-57.21	336.96	3.91	-53.30
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC(C)C	REAL300025559871	0	48	-1.0	-46.88	393.74	5.47	-41.41
COCCN1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025559872	0	46	-1.0	-46.45	393.63	3.40	-43.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)CSC2=O)=C1	REAL300025559873	0	38	-1.0	-54.00	348.91	2.30	-51.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NN3N=NN=C3C=C2)CC1	REAL300025559874	0	42	-1.0	-62.35	351.62	1.41	-60.94
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300025559875	0	40	-1.0	-45.57	327.89	4.89	-40.68
N#CC1=CC=CC=C1SC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559876	0	39	-1.0	-55.58	358.33	5.87	-49.71
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCC2=NC2=CC=CC=C21	REAL300025559877	0	39	-1.0	-47.03	332.39	3.52	-43.51
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2CN1C(=O)C1=CC=CO1	REAL300025559878	0	45	-1.0	-57.13	372.01	5.31	-51.82
CC12CCC(=O)N1C(C(=O)NCCC1=NC(=O)O[N-]1)CS2	REAL300025559879	0	36	-1.0	-56.30	310.33	1.95	-54.35
CSCCC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2CCCCC2C1=O	REAL300025559880	0	50	-1.0	-51.43	414.38	5.35	-46.08
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C(=O)O1	REAL300025559881	0	37	-1.0	-47.04	318.54	3.12	-43.92
CS(=O)(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559882	0	35	-1.0	-63.39	308.00	-1.97	-65.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=CC=C1	REAL300025559883	0	35	-1.0	-57.99	326.60	4.03	-53.96
O=C(CN1C(=S)NN=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025559884	0	34	-1.0	-53.08	329.57	3.08	-50.00
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025559884	1	33	-2.0	-103.15	326.12	2.92	-100.23
CSC1=NC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025559885	0	29	-1.0	-42.80	291.26	0.67	-42.13
CC12CC3CC(C)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025559886	0	47	-1.0	-45.24	348.45	4.46	-40.78
CC1=CC=CC(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(F)(F)F)=C1	REAL300025559887	0	40	-1.0	-49.08	352.24	3.97	-45.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1	REAL300025559888	0	37	-1.0	-49.26	330.89	3.30	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300025559889	0	37	-1.0	-43.79	328.52	4.31	-39.48
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=C1	REAL300025559890	0	37	-1.0	-47.50	337.29	3.37	-44.13
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCC1	REAL300025559891	0	37	-1.0	-44.02	318.20	3.86	-40.16
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)=C1	REAL300025559892	0	40	-1.0	-46.21	332.36	4.43	-41.78
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559893	0	50	-1.0	-45.04	396.57	2.37	-42.67
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CC1	REAL300025559894	0	34	-1.0	-45.56	315.59	3.87	-41.69
CC1=NOC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025559895	0	35	-1.0	-46.75	315.66	0.90	-45.85
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559896	0	42	-1.0	-52.20	352.93	3.65	-48.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC=C1F	REAL300025559897	0	38	-1.0	-52.65	329.77	4.44	-48.21
CCOC1=CC=C(NC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559898	0	45	-1.0	-48.58	377.00	4.31	-44.27
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N1C=CC=C1	REAL300025559899	0	35	-1.0	-48.34	303.15	2.73	-45.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1	REAL300025559900	0	41	-1.0	-54.62	355.25	3.54	-51.08
COC1=CC(OC)=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025559901	0	39	-1.0	-46.82	336.08	0.07	-46.75
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025559902	0	37	-1.0	-53.74	326.18	2.45	-51.29
O=C(CCC1=NN=C(C2=CSC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025559903	0	35	-1.0	-48.40	330.99	-2.12	-50.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1=CC=CC=C1	REAL300025559904	0	40	-1.0	-46.11	364.59	6.20	-39.91
CC1=CC=C(C)C(C(=O)C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559905	0	45	-1.0	-53.64	377.79	6.24	-47.40
CN(C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL300025559906	0	38	-1.0	-62.52	334.88	0.61	-61.91
CC(C)N1C=NN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559907	0	36	-1.0	-48.75	326.63	3.25	-45.50
O=C(CSC1=NN=NN1C1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025559908	0	39	-1.0	-45.92	346.57	1.71	-44.21
O=C(CSC1=NN=NN1C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025559909	0	33	-1.0	-46.77	313.06	0.46	-46.31
CC1=NOC2=NC(C3=CC=C(C)C=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559910	0	44	-1.0	-45.96	376.00	2.85	-43.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CN2C=CC=CC2=N1	REAL300025559911	0	44	-1.0	-58.58	387.38	6.90	-51.68
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559912	0	42	-1.0	-54.64	363.02	5.59	-49.05
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025559913	0	45	-1.0	-55.21	379.95	6.12	-49.09
CC1=CC=CC(C2=NN=C(C3=CC=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C3)O2)=C1	REAL300025559914	0	45	-1.0	-49.88	396.90	1.91	-47.97
COC1=CC=C(C2=C(C)SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025559915	0	41	-1.0	-47.39	363.84	4.15	-43.24
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559916	0	41	-1.0	-52.91	339.84	3.48	-49.43
CCC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1CC	REAL300025559917	0	43	-1.0	-50.42	358.89	2.46	-47.96
COC1=CC=CC=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025559918	0	45	-1.0	-47.75	380.41	5.49	-42.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2	REAL300025559919	0	55	-1.0	-59.77	399.48	5.54	-54.23
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=CC(Cl)=C1)C1=CC=CS1	REAL300025559920	0	38	-1.0	-43.81	358.11	5.85	-37.96
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C1CC1	REAL300025559921	0	45	-1.0	-52.88	380.13	4.41	-48.47
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559922	0	40	-2.0	-103.64	357.00	0.86	-102.78
CC1=C2C(=CC=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025559923	0	33	-1.0	-46.24	309.65	3.90	-42.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)N1CCCCC1	REAL300025559924	0	45	-1.0	-63.48	365.42	3.11	-60.37
CC1=CC=C(C)N1C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025559925	0	38	-1.0	-50.07	332.61	4.50	-45.57
CN1C2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025559926	0	44	-1.0	-51.22	374.95	6.37	-44.85
CC1=CC=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025559927	0	40	-1.0	-49.63	339.37	3.37	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1C=CC=N1	REAL300025559928	0	33	-1.0	-54.39	296.46	2.33	-52.06
CC1=CN2C=C(CSCC(=O)NCCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025559929	0	40	-1.0	-56.23	360.72	4.71	-51.52
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559930	0	42	-1.0	-51.85	370.73	3.71	-48.14
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=NN=CN1	REAL300025559931	0	32	-1.0	-48.76	295.98	3.27	-45.49
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=NNC=N1	REAL300025559931	1	32	-1.0	-56.27	295.39	2.88	-53.39
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300025559932	0	35	-1.0	-43.67	337.86	3.19	-40.48
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=NN=C(C(F)(F)F)N1	REAL300025559932	1	35	-1.0	-44.29	337.47	3.38	-40.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC=N2)N=C1	REAL300025559933	0	32	-1.0	-47.24	293.70	3.39	-43.85
O=C(CCCOC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559934	0	37	-1.0	-49.37	325.71	2.68	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=CC=CS1	REAL300025559935	0	41	-1.0	-57.91	345.99	3.65	-54.26
CC1=CC=C(C23CC4CC(CC(C(=O)NCCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1C	REAL300025559936	0	57	-1.0	-48.30	418.91	7.83	-40.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300025559937	0	43	-1.0	-47.41	358.49	6.73	-40.68
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300025559938	0	34	-1.0	-45.62	311.03	3.76	-41.86
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C)N=C2C=C1	REAL300025559939	0	38	-1.0	-47.72	322.43	3.18	-44.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300025559940	0	37	-1.0	-50.82	336.59	4.10	-46.72
COC1=CC=C(C23CC4CC(CC(C(=O)NCCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025559941	0	55	-1.0	-48.32	409.96	5.91	-42.41
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559942	0	37	-1.0	-53.55	353.66	4.44	-49.11
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559942	1	36	-2.0	-101.09	349.90	4.27	-96.82
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559943	0	40	-1.0	-54.24	358.35	4.60	-49.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559943	1	39	-2.0	-105.36	354.57	4.43	-100.93
COC1=CC=C(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559944	0	44	-1.0	-48.70	386.45	3.79	-44.91
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559944	1	43	-2.0	-91.65	382.84	3.62	-88.03
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCCC1=NC(=O)O[N-]1	REAL300025559945	0	35	-2.0	-98.97	328.11	2.35	-96.62
O=C(CN1C(=O)C2=CC=CC=C2NC1=S)NCCC1=NC(=O)O[N-]1	REAL300025559945	1	36	-1.0	-56.31	331.21	2.79	-53.52
CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559946	0	39	-1.0	-44.11	337.17	2.94	-41.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=NN=N1	REAL300025559947	0	32	-1.0	-60.55	289.24	2.32	-58.23
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)N1C=NN=N1	REAL300025559948	0	38	-1.0	-43.27	336.38	2.84	-40.43
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025559949	0	48	-1.0	-51.83	387.27	1.54	-50.29
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025559950	0	45	-1.0	-46.96	380.91	4.74	-42.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300025559951	0	38	-1.0	-46.08	345.73	3.05	-43.03
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559952	0	44	-1.0	-53.69	367.78	5.11	-48.58
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025559953	0	34	-1.0	-49.93	309.18	0.83	-49.10
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025559954	0	41	-1.0	-52.66	331.83	4.09	-48.57
CCOC1=CC=C(OC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559955	0	44	-1.0	-48.49	354.75	3.18	-45.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)N=C1	REAL300025559956	0	33	-1.0	-47.60	298.89	2.03	-45.57
CC1=CC=C(S(=O)(=O)N(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025559957	0	44	-1.0	-57.19	381.04	1.14	-56.05
CN1N=CC2=C1N=CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025559958	0	38	-1.0	-54.33	337.85	1.90	-52.43
CC1=NN2C(=C1)N=CC(C(=O)NCCC1=NC(=O)O[N-]1)=C2C	REAL300025559959	0	35	-1.0	-45.51	310.42	1.41	-44.10
O=C(NCCC1=NC(=O)O[N-]1)C1CC=CCC1C1=NC2=CC=CC=C2S1	REAL300025559960	0	43	-1.0	-48.93	363.64	5.53	-43.40
CN1C(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2N(C)C1=O	REAL300025559961	0	38	-1.0	-49.21	331.22	1.20	-48.01
O=C(CCCNC(=O)NC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025559962	0	48	-1.0	-50.05	388.81	0.55	-49.50
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559963	0	48	-1.0	-44.76	393.82	1.56	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300025559964	0	33	-1.0	-53.15	299.80	-1.45	-54.60
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Br)C=C2)C1	REAL300025559965	0	38	-1.0	-54.18	343.87	3.12	-51.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C(F)=C1F	REAL300025559966	0	27	-1.0	-45.72	266.70	1.79	-43.93
CC1CCC2=C(C1)SC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559967	0	37	-1.0	-46.19	315.08	3.70	-42.49
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025559968	0	51	-1.0	-43.96	387.29	2.06	-41.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300025559969	0	37	-1.0	-57.18	334.64	2.49	-54.69
CC1=CC=C(SC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025559970	0	43	-1.0	-51.22	374.99	5.30	-45.92
CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025559971	0	54	-1.0	-52.87	412.30	1.92	-50.95
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025559972	0	40	-1.0	-53.94	363.41	2.45	-51.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025559973	0	41	-1.0	-53.23	360.77	4.62	-48.61
CC1=CC=C(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559974	0	43	-1.0	-48.48	378.42	5.16	-43.32
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559974	1	42	-2.0	-92.88	374.78	4.99	-87.89
CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025559975	0	38	-2.0	-87.42	345.44	2.82	-84.60
CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025559975	1	39	-1.0	-47.99	348.54	3.25	-44.74
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559976	0	42	-1.0	-46.51	369.09	3.57	-42.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1NC(=O)C1CC1	REAL300025559977	0	44	-1.0	-47.96	371.64	4.78	-43.18
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559978	0	39	-1.0	-61.17	336.00	4.07	-57.10
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559979	0	41	-1.0	-59.85	356.93	4.54	-55.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C=C1	REAL300025559980	0	39	-1.0	-52.09	358.08	5.44	-46.65
CC1=CC=C(SC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025559981	0	43	-1.0	-50.51	376.03	5.36	-45.15
O=C(COC1=CC=C2NC(=O)CCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559982	0	39	-1.0	-53.07	336.69	1.28	-51.79
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300025559983	0	50	-1.0	-47.01	410.09	7.42	-39.59
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559984	0	49	-1.0	-45.38	397.95	3.21	-42.17
CC1OC2=CC=CC=C2OC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559985	0	36	-1.0	-48.58	305.86	2.86	-45.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300025559986	0	32	-1.0	-52.02	293.62	1.90	-50.12
CC(C)C1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025559987	0	40	-1.0	-45.09	337.10	3.40	-41.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=C1	REAL300025559988	0	37	-1.0	-50.96	341.71	3.53	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC1	REAL300025559989	0	34	-1.0	-43.77	315.61	3.85	-39.92
CCN(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559990	0	48	-1.0	-52.26	407.31	1.82	-50.44
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559991	0	32	-1.0	-44.97	295.09	1.51	-43.46
CC1=CC=C(C(=O)CCC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025559992	0	43	-1.0	-47.89	387.25	4.26	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCNC(=O)C2)=CC=C1	REAL300025559993	0	43	-1.0	-56.00	377.23	-2.42	-58.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NC3=CC=CC=C3N2)C=C1	REAL300025559994	0	44	-1.0	-50.48	394.34	5.39	-45.09
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCCC1=NC(=O)O[N-]1	REAL300025559995	0	38	-2.0	-91.89	348.68	2.80	-89.09
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)NCCC1=NC(=O)O[N-]1	REAL300025559995	1	39	-1.0	-54.80	351.77	3.23	-51.57
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559996	0	35	-1.0	-46.50	317.54	3.10	-43.40
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025559997	0	45	-1.0	-53.12	379.14	1.79	-51.33
COC1=CC=C(C2=NN=C(SCC(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025559998	0	40	-1.0	-47.64	370.53	-1.93	-49.57
CN(C)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559999	0	39	-1.0	-47.56	328.68	3.12	-44.44
CC1=CC=C2C(=O)N(C(C)C(=O)NCCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025560000	0	40	-1.0	-54.24	348.02	3.32	-50.92
O=C(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025560001	0	38	-1.0	-53.89	350.91	-1.10	-54.99
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=NN(CC3=CC=CS3)C2=N1	REAL300025560002	0	42	-1.0	-49.14	378.84	4.20	-44.94
O=C(C=CC1=CC=C(C2=CC=C(Cl)C=C2)S1)NCCC1=NC(=O)O[N-]1	REAL300025560003	0	38	-1.0	-46.09	362.80	6.04	-40.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CC=C1	REAL300025560004	0	38	-1.0	-45.96	326.01	4.61	-41.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=C(F)C=C2)=N1	REAL300025560005	0	37	-1.0	-47.04	348.78	1.92	-45.12
NC(=O)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025560006	0	40	-1.0	-50.07	349.49	-1.24	-51.31
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NS(C)(=O)=O	REAL300025560007	0	38	-1.0	-57.58	334.36	-0.99	-58.57
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560008	0	43	-1.0	-52.84	377.68	5.20	-47.64
CC(C)N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560009	0	44	-1.0	-50.98	381.78	0.99	-49.99
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560010	0	41	-1.0	-53.43	363.49	2.47	-50.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300025560011	0	43	-1.0	-55.01	380.94	4.73	-50.28
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300025560012	0	40	-1.0	-47.56	340.62	3.76	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCC1	REAL300025560013	0	40	-1.0	-45.60	322.52	4.83	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NC2=CC=CC=C2O1	REAL300025560014	0	43	-1.0	-55.48	383.11	3.61	-51.87
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=CO1)N1N=NN=C1C1=CC=CC=C1	REAL300025560015	0	43	-1.0	-46.66	382.09	4.05	-42.61
CC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(F)(F)F)C=C1	REAL300025560016	0	40	-1.0	-48.99	352.21	3.97	-45.02
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300025560017	0	43	-1.0	-43.63	360.27	5.82	-37.81
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560018	0	47	-1.0	-60.13	397.55	5.83	-54.30
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025560019	0	36	-1.0	-50.15	316.20	2.83	-47.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL300025560020	0	33	-1.0	-45.27	300.60	1.23	-44.04
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CO2)S1	REAL300025560021	0	40	-1.0	-49.10	366.99	4.03	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)N(C2=CC=C(F)C=C2)N=C1	REAL300025560022	0	42	-1.0	-47.06	366.18	6.35	-40.71
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(=O)N1C1=CC=CC=C1S2	REAL300025560023	0	37	-1.0	-54.72	333.15	2.83	-51.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300025560024	0	40	-1.0	-43.74	327.91	4.91	-38.83
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560025	0	44	-1.0	-55.03	357.27	1.88	-53.15
CCS(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560026	0	38	-1.0	-60.45	342.02	-0.97	-61.42
CC(C)C1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025560027	0	42	-1.0	-44.75	370.72	4.27	-40.48
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025560028	0	40	-1.0	-47.24	342.25	3.82	-43.42
CCCS(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560029	0	41	-1.0	-49.91	363.51	-0.15	-50.06
COC1=CC=CC(C=C(C(=O)NCCC2=NC(=O)O[N-]2)N2N=NN=C2C)=C1	REAL300025560030	0	43	-1.0	-45.06	369.68	1.85	-43.21
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025560031	0	40	-1.0	-47.88	358.26	4.10	-43.78
O=C(CSCC(=O)N1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025560032	0	41	-1.0	-57.83	349.59	2.17	-55.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC(F)(F)F	REAL300025560033	0	31	-1.0	-46.99	295.21	2.98	-44.01
O=C(CCC1=NC(C2=CC=CO2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025560034	0	35	-1.0	-49.31	321.71	-0.32	-49.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2F)O1	REAL300025560035	0	43	-1.0	-56.93	385.36	4.84	-52.09
O=C(CN1N=NC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560036	0	35	-1.0	-55.26	319.62	1.22	-54.04
O=C(C=CC1=CC=C(C2=CC=CC=C2F)S1)NCCC1=NC(=O)O[N-]1	REAL300025560037	0	38	-1.0	-47.36	355.46	5.67	-41.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NC2=CC=CC=C2N1	REAL300025560038	0	44	-1.0	-53.98	387.21	5.37	-48.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NCCS1	REAL300025560039	0	39	-1.0	-49.81	354.94	2.71	-47.10
CC1=CSC(SCC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560040	0	40	-1.0	-51.11	365.75	4.08	-47.03
COC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560041	0	41	-1.0	-55.12	366.38	3.22	-51.90
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560041	1	40	-2.0	-104.69	362.61	3.06	-101.63
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560042	0	40	-1.0	-54.20	358.33	4.57	-49.63
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560042	1	39	-2.0	-105.68	354.60	4.42	-101.26
O=C(CN1C(=O)C2=CC=CC=C2S1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025560043	0	35	-1.0	-59.87	329.87	-1.61	-61.48
O=C(CN1N=NC(C2=CC=C(Cl)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560044	0	35	-1.0	-53.06	336.34	1.74	-51.32
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025560045	0	37	-1.0	-45.82	351.02	1.45	-44.37
CC(C)C1CCC(C)CC1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560046	0	49	-1.0	-48.74	376.99	4.51	-44.23
CN(C(=O)CSCC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025560047	0	47	-1.0	-58.43	387.78	3.48	-54.95
CC(C)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560048	0	43	-1.0	-53.43	342.53	1.84	-51.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(NC(=O)C=C2C(F)(F)F)O1	REAL300025560049	0	33	-1.0	-43.23	317.99	-0.81	-44.04
CC1=CC=CC(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560050	0	40	-1.0	-47.92	338.93	5.78	-42.14
O=C(NCCC1=NC(=O)O[N-]1)C1CSC(CC2=CC=CC=C2F)C(=O)N1	REAL300025560051	0	42	-1.0	-48.87	367.49	2.17	-46.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(=O)NC(=O)N2C1CC1	REAL300025560052	0	39	-1.0	-49.35	342.24	0.74	-48.61
CC1=NN(CCC#N)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560053	0	43	-1.0	-50.82	373.89	3.15	-47.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Br)C=C1	REAL300025560054	0	37	-1.0	-45.70	340.53	3.72	-41.98
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560055	0	47	-1.0	-44.25	390.25	1.02	-43.23
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560056	0	46	-1.0	-44.03	363.29	0.79	-43.24
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560057	0	49	-1.0	-44.07	383.68	1.90	-42.17
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560058	0	33	-1.0	-60.04	309.89	1.83	-58.21
CC(OC1=CC=C(Cl)C=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560059	0	34	-1.0	-50.30	331.44	3.85	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300025560060	0	37	-1.0	-44.95	332.02	4.45	-40.50
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCCC1	REAL300025560061	0	40	-1.0	-44.93	342.78	5.45	-39.48
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025560062	0	36	-1.0	-54.01	335.28	0.28	-53.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300025560063	0	31	-1.0	-44.25	299.69	2.87	-41.38
CC(C)(C)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(C(C)(C)C)=C1	REAL300025560064	0	55	-1.0	-48.18	424.19	6.96	-41.22
CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560065	0	40	-1.0	-45.02	331.86	-0.74	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C(=O)NC1=CC=C(Cl)C=C1	REAL300025560066	0	31	-1.0	-40.44	297.21	0.31	-40.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C1	REAL300025560067	0	44	-1.0	-51.49	390.94	4.81	-46.68
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2F)C1	REAL300025560068	0	38	-1.0	-48.22	343.31	2.90	-45.32
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025560069	0	42	-1.0	-60.45	376.81	1.65	-58.80
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)S1	REAL300025560070	0	33	-1.0	-46.84	311.18	1.20	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CS2)=C1	REAL300025560071	0	30	-1.0	-43.27	293.97	1.73	-41.54
CCC1=CC=CC=C1N1C=NN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560072	0	43	-1.0	-48.50	381.47	6.37	-42.13
O=C(CSCC1=CC(=O)N2C=CSC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025560073	0	36	-1.0	-57.67	348.99	2.61	-55.06
O=C(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1)NC1=CC=CC=C1	REAL300025560074	0	40	-1.0	-51.26	362.09	1.90	-49.36
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC=C1Cl	REAL300025560075	0	41	-1.0	-51.68	370.57	3.66	-48.02
O=C(CN1N=C2CCCCCN2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560076	0	40	-1.0	-59.22	335.43	2.29	-56.93
CC1=NOC(CSC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560077	0	39	-1.0	-53.66	351.97	2.01	-51.65
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025560078	0	38	-1.0	-53.06	319.63	2.28	-50.78
CC1=CC=C(N2C=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560079	0	40	-1.0	-48.99	364.87	5.88	-43.11
COC1=CC=C(N2C=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560080	0	41	-1.0	-49.22	372.95	4.49	-44.73
CC(C)C1=CC=C(N2C=NN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560081	0	46	-1.0	-48.54	403.63	7.13	-41.41
O=C(CSC1=NN=CN1C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560082	0	37	-1.0	-47.81	360.20	5.71	-42.10
CC1=NN(C)C2=NC(C3=CC=CS3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560083	0	42	-1.0	-45.73	373.73	3.80	-41.93
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1OCC1=CC=CN=C1	REAL300025560084	0	46	-1.0	-48.75	393.40	4.68	-44.07
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560085	0	39	-1.0	-44.16	347.98	2.69	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1	REAL300025560086	0	46	-1.0	-44.35	391.90	5.83	-38.52
CCOC1=CC=C(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560087	0	39	-1.0	-43.49	344.52	3.06	-40.43
CCCN1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025560088	0	45	-1.0	-46.90	381.46	5.11	-41.79
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CCC(C)C	REAL300025560089	0	51	-1.0	-46.68	420.51	6.40	-40.28
CCCCN1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025560090	0	48	-1.0	-46.88	402.96	5.89	-40.99
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCO1	REAL300025560091	0	50	-1.0	-48.39	415.06	4.75	-43.64
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025560092	0	52	-1.0	-46.12	411.40	6.50	-39.62
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300025560093	0	49	-1.0	-45.86	420.90	7.54	-38.32
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300025560094	0	49	-1.0	-45.85	419.63	7.73	-38.12
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025560095	0	49	-1.0	-46.10	403.73	3.72	-42.38
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025560096	0	35	-1.0	-46.10	306.46	0.77	-45.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2N1	REAL300025560097	0	31	-1.0	-45.02	293.76	2.00	-43.02
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560098	0	47	-1.0	-50.61	390.01	2.46	-48.15
CN1N=CC2=C1N=C(CCC(=O)NCCC1=NC(=O)O[N-]1)NC2=O	REAL300025560099	0	38	-1.0	-50.61	337.14	0.24	-50.37
NC(=O)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025560100	0	40	-1.0	-49.44	355.92	-1.18	-50.62
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCC1	REAL300025560101	0	40	-1.0	-43.43	342.79	5.45	-37.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=CC=CC=C1	REAL300025560102	0	44	-1.0	-57.87	359.34	4.71	-53.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025560103	0	42	-2.0	-104.39	370.52	0.21	-104.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1O	REAL300025560103	1	43	-1.0	-50.20	374.01	-0.78	-50.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1O	REAL300025560104	0	28	-1.0	-45.59	273.43	0.70	-44.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025560104	1	27	-2.0	-99.16	269.87	1.71	-97.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Br	REAL300025560105	0	27	-1.0	-44.29	276.30	2.68	-41.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL300025560106	0	30	-1.0	-47.31	293.11	0.38	-46.93
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1O	REAL300025560107	0	36	-1.0	-47.19	338.41	0.55	-46.64
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(O)C(C(C)C)=C1	REAL300025560108	0	46	-1.0	-47.14	370.85	3.96	-43.18
CC1=CC(C)=C2C(=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025560109	0	36	-1.0	-45.71	331.03	4.55	-41.16
CC(C)(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(O)C(C(C)(C)C)=C1	REAL300025560110	0	52	-1.0	-46.41	397.96	5.05	-41.36
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C(C)C1=CC=CC=C1	REAL300025560111	0	47	-1.0	-48.97	368.10	5.62	-43.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1	REAL300025560112	0	39	-1.0	-52.24	347.75	4.98	-47.26
O=C(COC1=CC=C(F)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560113	0	31	-1.0	-48.08	299.44	2.67	-45.41
CNC(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560114	0	38	-1.0	-52.91	334.24	1.02	-51.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300025560115	0	46	-1.0	-46.93	365.97	3.99	-42.94
O=C(C=CC1=CC=C(OCC2=CC=CN=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560116	0	44	-1.0	-49.89	383.86	4.23	-45.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)N(C2=CC=CC=C2F)N=C1	REAL300025560117	0	42	-1.0	-50.89	372.01	6.61	-44.28
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025560118	0	43	-1.0	-46.08	350.25	4.23	-41.85
CSC1=NC(C2CC2)=NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560119	0	39	-1.0	-44.95	351.08	2.73	-42.22
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560120	0	39	-1.0	-47.82	360.94	2.15	-45.67
CSC1=NC(C(C)C)=NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560121	0	41	-1.0	-44.75	362.04	2.25	-42.50
CCOC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025560122	0	43	-1.0	-52.54	382.87	3.42	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CCCC1	REAL300025560123	0	43	-1.0	-44.42	377.63	2.56	-41.86
CC1=CC=C(C)C(S(=O)(=O)C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025560124	0	49	-1.0	-46.48	380.86	3.76	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NN3C=NN=C3C=C2)CC1	REAL300025560125	0	43	-1.0	-58.06	356.28	4.54	-53.52
O=C(CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560126	0	45	-1.0	-50.44	398.34	0.88	-49.56
NS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560127	0	37	-1.0	-51.08	317.24	-4.45	-55.53
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025560128	0	43	-1.0	-44.18	366.96	4.75	-39.43
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CSC=N1	REAL300025560129	0	41	-1.0	-49.47	366.79	1.80	-47.67
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2N(C)C1=O	REAL300025560130	0	38	-1.0	-43.79	333.80	1.19	-42.60
CC1=C(C)C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N1	REAL300025560131	0	37	-1.0	-47.86	314.65	2.95	-44.91
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560132	0	43	-1.0	-57.43	370.47	2.92	-54.51
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300025560133	0	36	-1.0	-45.84	351.15	4.07	-41.77
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025560134	0	35	-1.0	-46.12	327.94	1.37	-44.75
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL300025560135	0	41	-1.0	-47.51	348.47	4.36	-43.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300025560136	0	33	-1.0	-47.40	323.72	-0.32	-47.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300025560137	0	37	-1.0	-52.94	325.16	4.07	-48.87
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCS(=O)(=O)C2)C1	REAL300025560138	0	41	-1.0	-56.25	350.60	-2.09	-58.34
NC(=O)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560139	0	35	-1.0	-60.93	311.37	-1.05	-61.98
COC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025560140	0	42	-1.0	-49.55	351.59	1.75	-47.80
O=C(CN1CCS(=O)(=O)CC1)NCCC1=NC(=O)O[N-]1	REAL300025560141	0	35	-1.0	-53.45	302.05	-4.21	-57.66
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560142	0	40	-1.0	-61.01	351.29	0.15	-60.86
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL300025560143	0	30	-1.0	-48.07	306.58	3.78	-44.29
O=C(C=CC1=CC=C(C(=O)NC2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560144	0	42	-1.0	-52.13	365.85	2.73	-49.40
O=C(CCC1=CC=C(OC(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560145	0	37	-1.0	-48.10	328.59	2.61	-45.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300025560146	0	40	-1.0	-45.39	344.80	2.94	-42.45
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL300025560147	0	38	-1.0	-50.67	332.96	1.24	-49.43
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560148	0	43	-1.0	-55.91	369.68	4.84	-51.07
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=C([N+](=O)[O-])C=CC2=NN1	REAL300025560149	0	32	-1.0	-49.34	298.26	0.91	-48.43
O=C(NCCC1=NC(=O)O[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300025560149	1	32	-1.0	-52.28	300.27	0.88	-51.40
COC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560150	0	35	-1.0	-51.71	310.38	-0.24	-51.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=C1	REAL300025560151	0	33	-1.0	-47.56	296.36	3.21	-44.35
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1Br	REAL300025560152	0	28	-1.0	-41.93	290.03	2.02	-39.91
CCCS(=O)(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560153	0	41	-1.0	-62.50	346.34	0.55	-61.95
O=C(CN1N=CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560154	0	35	-1.0	-58.70	314.75	1.26	-57.44
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC1	REAL300025560155	0	34	-1.0	-43.91	311.04	3.75	-40.16
CN1C=CN=C1SCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560156	0	38	-1.0	-47.13	353.84	3.23	-43.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=NC=CC(C)=C12	REAL300025560157	0	35	-1.0	-46.22	306.11	2.13	-44.09
CC1NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN(C2=CC=CC=C2)C1=O	REAL300025560158	0	40	-1.0	-43.97	349.52	1.29	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300025560159	0	44	-1.0	-50.19	352.16	4.46	-45.73
CCOC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025560160	0	43	-1.0	-45.35	378.45	3.30	-42.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1	REAL300025560161	0	36	-1.0	-49.42	330.04	2.35	-47.07
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025560162	0	44	-1.0	-49.31	371.54	5.13	-44.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300025560163	0	43	-1.0	-53.26	355.37	1.50	-51.76
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL300025560164	0	28	-1.0	-42.02	281.45	1.84	-40.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300025560165	0	47	-1.0	-48.81	375.81	5.45	-43.36
COC1=CC=C(CSCC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025560166	0	40	-1.0	-57.20	367.88	4.32	-52.88
CC(C)(C)C1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025560167	0	43	-1.0	-44.98	353.03	3.80	-41.18
O=C(COC1=C(Br)C2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560168	0	37	-1.0	-54.94	340.32	4.93	-50.01
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1C=NN=N1	REAL300025560169	0	35	-1.0	-53.01	307.05	2.45	-50.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C2=CC=CN=C12	REAL300025560170	0	32	-1.0	-52.24	296.78	2.77	-49.47
CC(C)(C)NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025560171	0	44	-1.0	-52.56	374.28	-0.35	-52.91
CC(C)(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025560172	0	46	-1.0	-46.87	370.52	5.56	-41.31
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560173	0	42	-1.0	-55.27	348.40	6.27	-49.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1	REAL300025560174	0	42	-1.0	-53.73	372.40	0.11	-53.62
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025560175	0	33	-1.0	-56.78	305.06	2.77	-54.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)N2CCCC2)=C1	REAL300025560176	0	42	-1.0	-53.50	368.49	0.64	-52.86
CC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C2CC2)C=C1Cl	REAL300025560177	0	44	-1.0	-46.92	383.99	5.45	-41.47
CC1=NN(C)C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025560178	0	38	-1.0	-47.30	326.00	1.94	-45.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1	REAL300025560179	0	45	-1.0	-53.59	384.78	0.51	-53.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025560180	0	37	-1.0	-46.11	325.64	3.16	-42.95
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(Br)=C1	REAL300025560181	0	24	-1.0	-46.96	248.39	0.24	-46.72
CCOC1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025560182	0	45	-1.0	-47.34	391.53	1.90	-45.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300025560183	0	40	-1.0	-48.86	349.31	3.04	-45.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=NC=C1	REAL300025560184	0	40	-1.0	-53.76	347.27	4.30	-49.46
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CN=C1	REAL300025560185	0	47	-1.0	-51.45	400.37	3.87	-47.58
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025560186	0	42	-1.0	-60.64	363.09	1.85	-58.79
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC(Br)=C2)C1	REAL300025560187	0	38	-1.0	-47.64	343.92	3.09	-44.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=C(F)C=C1	REAL300025560188	0	35	-1.0	-56.75	333.08	4.10	-52.65
CC1=CC=CC=C1C(CC(=O)NCCC1=NC(=O)O[N-]1)NC(N)=O	REAL300025560189	0	42	-1.0	-45.67	346.20	-0.63	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Br)C1	REAL300025560190	0	38	-1.0	-56.15	346.82	3.80	-52.35
CC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025560191	0	40	-1.0	-46.22	339.28	3.27	-42.95
CCCC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025560192	0	47	-1.0	-48.76	386.47	4.68	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL300025560193	0	40	-1.0	-48.95	330.12	0.22	-48.73
CCCCC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025560194	0	50	-1.0	-48.72	407.97	5.46	-43.26
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025560195	0	43	-1.0	-47.12	362.66	4.49	-42.63
CN1C(=O)NC(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025560196	0	42	-1.0	-52.16	360.95	2.36	-49.80
CCN1C(=O)NC(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025560197	0	45	-1.0	-52.20	382.42	3.36	-48.84
CCN1C(=O)NC(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C(C)C)N=C21	REAL300025560198	0	47	-1.0	-52.28	392.82	3.16	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1	REAL300025560199	0	45	-1.0	-49.59	368.15	4.38	-45.21
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560200	0	35	-1.0	-53.93	316.21	2.40	-51.53
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)CCC(=O)C1=CC=CS1	REAL300025560201	0	40	-1.0	-47.87	365.45	3.44	-44.43
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)NC1=O	REAL300025560202	0	34	-1.0	-46.05	301.53	-0.73	-46.78
CCOC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1C	REAL300025560203	0	38	-1.0	-43.16	333.60	1.89	-41.27
N#CC1=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)OC(C2=CC=CO2)=N1	REAL300025560204	0	46	-1.0	-51.29	398.64	-0.85	-52.14
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025560205	0	43	-1.0	-45.20	367.00	4.75	-40.45
CC1=CC=CC(C(CC(=O)NCCC2=NC(=O)O[N-]2)NC(N)=O)=C1	REAL300025560206	0	42	-1.0	-54.05	361.41	-0.25	-54.30
CC(OC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560207	0	34	-1.0	-52.15	310.32	3.22	-48.93
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=N1	REAL300025560208	0	40	-1.0	-51.87	341.05	4.42	-47.45
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=NC=CS1	REAL300025560209	0	37	-1.0	-50.42	332.52	3.46	-46.96
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CN=C1	REAL300025560210	0	40	-1.0	-48.73	344.83	3.72	-45.01
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CC=N1	REAL300025560211	0	43	-1.0	-52.50	364.91	4.21	-48.29
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560212	0	46	-1.0	-60.68	380.24	2.79	-57.89
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025560213	0	40	-1.0	-47.52	340.87	3.82	-43.70
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025560214	0	43	-1.0	-44.50	356.64	4.30	-40.20
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025560215	0	40	-1.0	-47.01	357.53	4.33	-42.68
CCCCNC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560216	0	41	-1.0	-45.18	337.49	3.07	-42.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025560217	0	37	-1.0	-46.69	335.92	3.61	-43.08
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCCC	REAL300025560218	0	53	-1.0	-47.69	431.62	5.74	-41.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCCC2=O)C=C1	REAL300025560219	0	44	-1.0	-54.00	363.71	3.90	-50.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1	REAL300025560220	0	43	-1.0	-56.57	385.34	3.00	-53.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300025560221	0	47	-1.0	-58.78	381.07	3.80	-54.98
CCN(CC)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560222	0	48	-1.0	-52.91	371.02	2.53	-50.38
CN1C=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025560223	0	35	-1.0	-55.64	326.57	-4.38	-60.02
CN(C)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560224	0	42	-1.0	-53.13	331.82	0.80	-52.33
CC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)C2=C1	REAL300025560225	0	34	-1.0	-46.99	313.10	2.68	-44.31
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025560226	0	39	-1.0	-49.92	335.57	3.71	-46.21
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)NC2CC2)CC1	REAL300025560227	0	43	-1.0	-53.47	350.19	1.22	-52.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300025560228	0	36	-1.0	-46.73	350.63	3.55	-43.18
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560229	0	47	-1.0	-51.64	399.43	4.61	-47.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CCCC2=C1	REAL300025560230	0	38	-1.0	-48.77	318.72	1.66	-47.11
O=C(CCOC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560231	0	34	-1.0	-44.49	314.53	2.37	-42.12
O=C(CC1=CSC(NC(=O)CC2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560232	0	40	-1.0	-54.50	378.29	2.26	-52.24
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560232	1	39	-2.0	-100.77	374.97	1.14	-99.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC2=CC=CC=C2)=N1	REAL300025560233	0	39	-1.0	-44.89	350.82	3.80	-41.09
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C2N1	REAL300025560234	0	37	-1.0	-49.96	340.66	3.38	-46.58
CC1=CC=C([N+](=O)[O-])C(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560235	0	39	-1.0	-48.68	345.23	3.95	-44.73
CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560236	0	47	-1.0	-46.81	382.22	4.44	-42.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(Br)C=N2)C=C1	REAL300025560237	0	34	-1.0	-48.79	323.27	3.37	-45.42
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)[N-]1	REAL300025560238	0	43	-2.0	-94.94	383.00	2.61	-92.33
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N1	REAL300025560238	1	44	-1.0	-62.47	385.01	2.72	-59.75
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL300025560239	0	44	-1.0	-47.68	349.38	2.54	-45.14
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025560240	0	36	-1.0	-53.51	329.84	3.30	-50.21
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560241	0	38	-1.0	-49.03	328.82	5.00	-44.03
CC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025560242	0	46	-1.0	-45.78	371.63	4.91	-40.87
O=C(COC1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025560243	0	34	-1.0	-55.05	314.32	3.16	-51.89
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=N1	REAL300025560244	0	35	-1.0	-44.77	330.23	0.51	-44.26
CN(C)S(=O)(=O)C1=CNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560245	0	36	-1.0	-53.53	328.22	-2.74	-56.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2O1	REAL300025560246	0	30	-1.0	-42.33	295.80	2.56	-39.77
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560247	0	41	-1.0	-46.40	354.53	-2.14	-48.54
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560247	1	40	-2.0	-82.69	357.18	-2.15	-84.84
CC1=NC2=CC(F)=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560248	0	35	-1.0	-45.43	307.47	2.59	-42.84
CC(C)NS(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560249	0	41	-1.0	-51.31	362.66	-0.79	-52.10
COC1=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL300025560250	0	34	-1.0	-46.28	304.04	1.21	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1N1C=NN=N1	REAL300025560251	0	32	-1.0	-56.79	305.96	2.85	-53.94
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300025560252	0	34	-1.0	-47.21	311.09	2.76	-44.45
O=C(CCOC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560253	0	34	-1.0	-46.09	329.70	2.83	-43.26
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=C(C)C(C)=NN(C)C2=O)=N1	REAL300025560254	0	44	-1.0	-48.29	379.71	1.96	-46.33
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(=O)NN(C)C2=N1	REAL300025560255	0	36	-1.0	-59.46	314.78	0.96	-58.50
O=C(CCOC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560256	0	34	-1.0	-45.52	313.83	2.41	-43.11
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025560257	0	42	-1.0	-48.96	366.78	4.82	-44.14
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025560258	0	42	-1.0	-48.69	346.79	4.10	-44.59
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560259	0	50	-1.0	-51.44	420.07	3.12	-48.32
CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560260	0	32	-1.0	-47.44	306.57	-4.23	-51.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560260	1	31	-2.0	-82.51	303.56	-4.69	-87.20
O=C(CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025560261	0	41	-1.0	-52.88	378.45	2.96	-49.92
CC1=CC=CC(C)=C1OCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560262	0	40	-1.0	-46.39	339.55	3.39	-43.00
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300025560263	0	41	-1.0	-60.47	370.03	4.54	-55.93
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL300025560264	0	34	-1.0	-50.75	311.02	0.54	-50.21
COC1=NN(C)C2=NC(C)=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025560265	0	48	-1.0	-48.82	397.58	1.15	-47.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300025560266	0	41	-1.0	-59.36	361.49	3.63	-55.73
CC(C)NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025560267	0	41	-1.0	-53.18	352.87	-1.21	-54.39
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300025560268	0	44	-1.0	-53.33	376.50	-0.38	-53.71
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025560269	0	40	-1.0	-47.48	338.57	4.04	-43.44
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C(C)=C1	REAL300025560270	0	39	-1.0	-48.02	338.68	3.49	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC(Cl)=CC=C2N1	REAL300025560271	0	31	-1.0	-46.32	308.44	2.52	-43.80
CC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025560272	0	36	-1.0	-57.39	336.04	2.04	-55.35
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=CS1	REAL300025560273	0	34	-1.0	-54.16	308.68	0.90	-53.26
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025560274	0	37	-1.0	-52.33	339.08	-3.23	-55.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)O1	REAL300025560275	0	34	-1.0	-48.21	311.82	1.38	-46.83
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1OC(F)F	REAL300025560276	0	37	-1.0	-47.49	320.46	2.52	-44.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL300025560277	0	41	-1.0	-45.75	337.80	3.75	-42.00
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025560278	0	47	-1.0	-50.17	385.05	4.36	-45.81
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560279	0	42	-1.0	-51.40	373.38	0.73	-50.67
CCNS(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560280	0	42	-1.0	-51.58	375.43	-0.24	-51.82
CC1=CC=CC(NC(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560281	0	39	-1.0	-46.78	338.45	-0.06	-46.84
NS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025560282	0	32	-1.0	-55.33	314.57	-3.67	-59.00
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(C(F)(F)F)C=C2S1	REAL300025560283	0	33	-1.0	-43.57	334.08	4.43	-39.14
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2)=NO1	REAL300025560284	0	36	-1.0	-44.93	329.49	3.56	-41.37
CC1=CC(C)=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C(C)=C1	REAL300025560285	0	47	-1.0	-49.94	389.22	5.51	-44.43
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CCCC1	REAL300025560286	0	40	-1.0	-43.74	322.18	4.88	-38.86
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C=C1	REAL300025560287	0	36	-1.0	-43.64	323.60	1.79	-41.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C2C1=O	REAL300025560288	0	33	-1.0	-53.30	292.32	1.65	-51.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300025560289	0	34	-1.0	-46.15	322.80	4.38	-41.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025560290	0	41	-1.0	-57.66	370.71	4.77	-52.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=NC=C2)C=C1	REAL300025560291	0	41	-1.0	-49.99	373.23	-0.39	-50.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025560291	1	40	-2.0	-86.89	366.88	-0.27	-87.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)O1	REAL300025560292	0	40	-1.0	-47.30	358.32	-2.84	-50.14
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL300025560293	0	41	-1.0	-53.44	334.61	2.10	-51.34
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560294	0	42	-1.0	-53.88	364.03	2.58	-51.30
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300025560295	0	33	-1.0	-44.35	318.52	3.07	-41.28
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560296	0	50	-1.0	-53.01	406.12	5.18	-47.83
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1	REAL300025560297	0	44	-1.0	-60.69	373.83	4.45	-56.24
CC(C)C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560298	0	40	-1.0	-53.55	339.20	1.90	-51.65
O=C(COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560299	0	42	-1.0	-61.50	372.85	2.13	-59.37
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560300	0	44	-1.0	-49.69	380.76	0.01	-49.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=C(Br)C=C2N1	REAL300025560301	0	31	-1.0	-44.84	304.83	2.16	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2N1	REAL300025560302	0	31	-1.0	-44.00	293.77	1.97	-42.03
CC1=CC=C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025560303	0	36	-1.0	-42.76	323.37	3.21	-39.55
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL300025560304	0	38	-1.0	-58.06	343.22	-0.10	-58.16
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560305	0	44	-1.0	-50.61	367.63	6.15	-44.46
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560306	0	38	-1.0	-57.71	349.21	2.05	-55.66
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300025560307	0	34	-1.0	-51.49	309.19	2.85	-48.64
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCOCC1	REAL300025560308	0	41	-1.0	-45.87	327.19	2.47	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300025560309	0	34	-1.0	-44.63	334.71	4.85	-39.78
CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560310	0	39	-1.0	-53.16	334.13	1.79	-51.37
CC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)O1	REAL300025560311	0	36	-1.0	-44.62	332.30	2.01	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300025560312	0	40	-1.0	-50.50	347.17	1.29	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300025560313	0	39	-1.0	-56.65	349.46	4.02	-52.63
CC(C)(C)C1=NOC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560314	0	43	-1.0	-52.84	364.12	1.01	-51.83
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=C(C(C)(C)C)C=C1	REAL300025560315	0	53	-1.0	-48.90	427.49	6.93	-41.97
CN1C2=CC=CC=C2C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560316	0	34	-1.0	-46.33	321.55	3.54	-42.79
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL300025560317	0	37	-1.0	-57.67	337.62	-1.84	-59.51
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025560318	0	32	-1.0	-54.10	302.92	-3.45	-57.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(C1CC1)=NN2C1=CC=CC=C1	REAL300025560319	0	46	-1.0	-48.75	398.17	6.41	-42.34
COC1=CC=C(C2=NOC(CCCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025560320	0	45	-1.0	-54.89	391.17	1.76	-53.13
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)N2CCCC2)C1	REAL300025560321	0	46	-1.0	-50.01	358.64	2.04	-47.97
CN1C2=CC=CC=C2C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560322	0	34	-1.0	-46.47	317.11	3.45	-43.02
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300025560323	0	36	-1.0	-55.48	332.95	3.37	-52.11
CC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025560324	0	33	-1.0	-47.39	315.02	1.21	-46.18
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300025560325	0	44	-1.0	-54.96	356.33	5.41	-49.55
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560326	0	39	-1.0	-52.92	354.76	3.86	-49.06
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C1C(=O)CCC2	REAL300025560327	0	36	-1.0	-50.39	309.65	2.04	-48.35
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560328	0	39	-1.0	-53.49	331.83	1.63	-51.86
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1F	REAL300025560329	0	37	-1.0	-47.69	333.90	3.35	-44.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300025560330	0	38	-1.0	-50.43	344.78	3.89	-46.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300025560331	0	34	-2.0	-88.22	308.65	-3.21	-91.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300025560332	0	36	-1.0	-46.15	333.88	3.03	-43.12
CC(C)NC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560333	0	42	-1.0	-60.10	356.38	0.74	-59.36
CCC(CC)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025560334	0	43	-1.0	-47.02	348.75	2.82	-44.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300025560335	0	33	-1.0	-46.18	327.30	2.86	-43.32
CC1=C(C(=O)NC2=CC(Cl)=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL300025560336	0	41	-1.0	-47.24	370.17	3.38	-43.86
O=C(CS(=O)(=O)C1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560337	0	33	-1.0	-56.74	328.21	-0.13	-56.87
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560338	0	44	-1.0	-44.61	368.15	1.91	-42.70
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560339	0	44	-1.0	-44.76	371.62	1.67	-43.09
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=CC=C1OC(F)F	REAL300025560340	0	45	-1.0	-61.65	379.11	4.10	-57.55
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560341	0	50	-1.0	-44.82	397.38	3.53	-41.29
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2=CC=CC=C2F)C1	REAL300025560342	0	46	-1.0	-48.20	379.42	3.33	-44.87
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1Br	REAL300025560343	0	34	-1.0	-50.62	328.37	3.47	-47.15
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300025560344	0	48	-1.0	-51.00	398.67	4.43	-46.57
O=C(CCNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560345	0	41	-1.0	-53.01	361.32	0.92	-52.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025560346	0	40	-1.0	-47.10	341.62	3.50	-43.60
N#CC(=CC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560347	0	32	-1.0	-42.97	299.83	2.88	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1	REAL300025560348	0	27	-1.0	-42.94	271.01	2.22	-40.72
O=C(CCOC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560349	0	34	-1.0	-44.83	314.53	2.37	-42.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300025560350	0	37	-1.0	-52.56	326.58	4.81	-47.75
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C2=CC=CC=C2N1	REAL300025560351	0	31	-1.0	-46.67	295.44	2.09	-44.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SCC1=CC=C(F)C=C1	REAL300025560352	0	40	-1.0	-49.77	364.48	4.98	-44.79
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560353	0	40	-1.0	-56.60	367.95	2.54	-54.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300025560354	0	37	-1.0	-50.92	321.93	5.02	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300025560355	0	40	-1.0	-50.72	360.63	6.02	-44.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCCCC1	REAL300025560356	0	41	-1.0	-49.10	335.63	3.13	-45.97
O=C(COCCOC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560357	0	38	-1.0	-54.02	332.33	2.35	-51.67
COC1=CC=CC(COCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560358	0	38	-1.0	-52.65	331.91	1.90	-50.75
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025560359	0	30	-1.0	-47.38	277.29	0.08	-47.30
O=C(CN1C=NC2=CC=C(Br)C=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560360	0	35	-1.0	-55.63	334.85	3.33	-52.30
COC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025560361	0	44	-1.0	-47.52	385.81	2.29	-45.23
CC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025560362	0	36	-1.0	-44.89	322.00	1.91	-42.98
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025560363	0	43	-1.0	-47.13	363.14	4.20	-42.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)NC2=CC=CC=C2F)=CN1	REAL300025560364	0	40	-1.0	-51.83	369.16	-0.72	-52.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025560365	0	44	-1.0	-48.15	373.88	3.43	-44.72
O=C(CC1=CC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025560366	0	36	-1.0	-55.31	318.29	1.28	-54.03
O=C(CN1C(=O)COC2=CC(Br)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560367	0	36	-1.0	-52.81	335.72	1.61	-51.20
CC1=CC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2C=C1	REAL300025560368	0	35	-1.0	-52.97	307.15	2.37	-50.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300025560369	0	33	-1.0	-45.69	310.10	2.45	-43.24
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025560370	0	46	-1.0	-47.21	384.65	4.98	-42.23
O=C(CCOC1=CC=C(F)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560371	0	34	-1.0	-46.70	320.39	2.42	-44.28
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025560372	0	33	-1.0	-44.14	312.49	-0.24	-44.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300025560373	0	33	-1.0	-42.57	308.38	2.60	-39.97
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)N2CCCC2)CC1	REAL300025560374	0	46	-1.0	-53.07	358.24	1.88	-51.19
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025560375	0	43	-1.0	-50.92	374.14	1.95	-48.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2O1	REAL300025560376	0	30	-1.0	-44.28	295.84	2.55	-41.73
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300025560377	0	41	-1.0	-53.09	359.05	4.69	-48.40
CC(C)CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560378	0	47	-1.0	-44.89	390.72	5.54	-39.35
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NCCC1=NC(=O)O[N-]1	REAL300025560379	0	35	-1.0	-54.62	324.67	2.48	-52.14
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560380	0	42	-1.0	-64.76	373.82	1.73	-63.03
CCN1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C1=O	REAL300025560381	0	38	-1.0	-63.60	328.28	0.55	-63.05
COC1=CC=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025560382	0	38	-1.0	-53.41	329.39	1.56	-51.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NC=CC=N2)CC1	REAL300025560383	0	40	-1.0	-50.10	331.63	2.34	-47.76
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560384	0	41	-1.0	-47.45	350.90	5.12	-42.33
CCNS(=O)(=O)C1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025560385	0	46	-1.0	-56.01	395.84	-0.41	-56.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300025560386	0	36	-1.0	-53.81	329.30	4.68	-49.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(S(N)(=O)=O)=C(C)O1	REAL300025560387	0	35	-1.0	-51.48	323.45	-3.89	-55.37
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300025560388	0	50	-1.0	-47.17	410.10	7.40	-39.77
CCC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025560389	0	37	-1.0	-48.97	332.33	3.91	-45.06
CC(OC1=CC=C2CCCC2=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560390	0	41	-1.0	-50.40	339.86	4.59	-45.81
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025560391	0	41	-1.0	-53.04	368.13	2.51	-50.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1	REAL300025560392	0	44	-1.0	-47.99	378.85	5.73	-42.26
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560393	0	34	-1.0	-53.22	325.47	3.70	-49.52
CC(OC1=CC=C(F)C=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560394	0	34	-1.0	-50.72	321.12	3.40	-47.32
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025560395	0	38	-1.0	-54.89	352.63	1.45	-53.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(I)=C1	REAL300025560396	0	27	-1.0	-42.22	285.44	3.08	-39.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1I	REAL300025560397	0	27	-1.0	-43.20	281.77	3.13	-40.07
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025560398	0	30	-1.0	-46.57	282.59	3.15	-43.42
CC(C)NS(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560399	0	45	-1.0	-51.37	394.62	0.40	-50.97
O=C(C=CC1=CC=C(S(=O)(=O)NC2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560400	0	43	-1.0	-51.54	386.78	0.58	-50.96
CCCNS(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560401	0	45	-1.0	-51.33	396.93	0.53	-50.80
COC1=CC(OC)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1OC	REAL300025560402	0	43	-1.0	-48.57	369.21	0.10	-48.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1I	REAL300025560403	0	27	-1.0	-44.36	271.44	2.68	-41.68
COC1=CC=CC(COC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560404	0	41	-1.0	-51.67	350.90	2.66	-49.01
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025560405	0	41	-1.0	-55.92	362.37	-0.23	-56.15
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025560406	0	42	-1.0	-53.73	366.02	2.29	-51.44
N#CC1=CC=CC=C1COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560407	0	42	-1.0	-50.80	371.95	5.23	-45.57
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1F	REAL300025560408	0	44	-1.0	-66.15	378.39	4.52	-61.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL300025560409	0	36	-1.0	-57.56	311.84	1.61	-55.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300025560410	0	36	-1.0	-48.42	332.48	3.36	-45.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL300025560411	0	37	-1.0	-64.02	315.75	0.27	-63.75
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025560412	0	39	-1.0	-51.63	333.34	2.99	-48.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1	REAL300025560413	0	41	-1.0	-57.87	359.87	0.48	-57.39
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300025560414	0	40	-1.0	-43.54	338.23	5.35	-38.19
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=C(Cl)C=C2S1	REAL300025560415	0	30	-1.0	-44.38	323.30	4.29	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300025560416	0	32	-1.0	-48.97	293.92	-2.98	-51.95
CC(C)CS(=O)(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560417	0	38	-1.0	-49.75	329.77	-0.74	-50.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)N1	REAL300025560418	0	25	-1.0	-42.85	268.74	0.33	-42.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CS1	REAL300025560419	0	42	-1.0	-51.60	360.40	1.21	-50.39
C=CCNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025560420	0	39	-1.0	-52.94	351.94	-1.14	-54.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NO1	REAL300025560421	0	33	-1.0	-42.90	301.97	2.54	-40.36
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560422	0	34	-1.0	-47.31	313.93	2.01	-45.30
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025560423	0	41	-1.0	-46.19	351.64	3.96	-42.23
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560424	0	43	-1.0	-51.50	369.69	4.36	-47.14
N#CC1=CC=C(CSCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560425	0	35	-1.0	-51.29	333.21	3.98	-47.31
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300025560426	0	41	-1.0	-55.92	356.29	0.82	-55.10
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025560426	1	40	-2.0	-104.58	356.15	-0.08	-104.66
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560427	0	53	-1.0	-46.59	422.65	4.98	-41.61
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025560428	0	35	-1.0	-53.08	311.68	1.04	-52.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025560429	0	36	-1.0	-57.58	338.46	3.91	-53.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL300025560430	0	36	-1.0	-64.95	312.05	1.60	-63.35
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025560431	0	37	-1.0	-51.11	323.52	3.34	-47.77
CC1=NN(C2=CC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025560432	0	43	-1.0	-54.03	367.06	4.41	-49.62
O=C(CS(=O)(=O)C1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025560433	0	36	-1.0	-62.01	312.84	-0.94	-62.95
CCOC1=CC=CC2=C1OCC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025560434	0	40	-1.0	-48.41	340.29	2.82	-45.59
CC1=C(C2=CC=C(F)C=C2)N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025560435	0	40	-1.0	-52.28	359.99	3.66	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300025560436	0	40	-1.0	-47.55	358.03	6.21	-41.34
COC1=CC=CC=C1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560437	0	38	-1.0	-47.76	332.03	1.17	-46.59
COC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(OC)=C1	REAL300025560438	0	42	-1.0	-48.04	361.46	0.46	-47.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NN1	REAL300025560439	0	31	-1.0	-45.49	296.99	0.70	-44.79
COC1=CC(C#N)=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560440	0	42	-1.0	-54.21	369.33	2.93	-51.28
COCCOC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025560441	0	44	-1.0	-50.57	381.64	1.41	-49.16
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560442	0	37	-1.0	-46.48	349.54	1.86	-44.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300025560443	0	32	-1.0	-44.01	302.64	2.61	-41.40
CCC(OC1=CC=CC=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560444	0	40	-1.0	-49.28	328.23	4.03	-45.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL300025560445	0	37	-1.0	-47.17	330.85	0.25	-46.92
CCOC1=CC=CC=C1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560446	0	41	-1.0	-47.63	353.89	2.10	-45.53
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560447	0	37	-1.0	-52.29	326.29	3.42	-48.87
O=C(CCCOC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560448	0	43	-1.0	-51.49	364.33	4.95	-46.54
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560449	0	51	-1.0	-46.65	413.35	5.14	-41.51
CC(C)(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025560450	0	39	-1.0	-47.39	327.00	1.76	-45.63
COC1=CC=C2C(=C1)C=CN2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560451	0	38	-1.0	-52.84	330.65	2.98	-49.86
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CC(F)=C2)=C1	REAL300025560452	0	41	-1.0	-51.95	370.60	3.42	-48.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300025560453	0	31	-1.0	-46.72	308.82	2.42	-44.30
CC(OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)C1=CC=CC=C1	REAL300025560454	0	43	-1.0	-45.68	371.28	3.13	-42.55
CC1=CC=C(C)N1C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560455	0	40	-1.0	-54.92	349.86	4.59	-50.33
O=C(CCSC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025560456	0	34	-1.0	-45.50	327.32	4.04	-41.46
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025560457	0	36	-1.0	-45.93	319.85	3.76	-42.17
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560458	0	46	-1.0	-58.18	389.68	2.94	-55.24
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025560459	0	37	-1.0	-59.26	318.13	1.33	-57.93
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300025560460	0	41	-1.0	-55.07	356.47	0.83	-54.24
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300025560460	1	40	-2.0	-103.14	355.42	-0.14	-103.28
CC1=C(C(=O)NC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=CO1	REAL300025560461	0	40	-1.0	-54.15	365.07	1.24	-52.91
O=C(CCS(=O)(=O)C1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025560462	0	39	-1.0	-49.22	336.37	-0.29	-49.51
N#CC1=CC=C(CS(=O)(=O)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560463	0	37	-1.0	-66.32	351.68	0.55	-65.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025560464	0	38	-2.0	-97.29	363.78	0.50	-96.79
CC(C)C1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560465	0	40	-1.0	-47.25	346.64	4.60	-42.65
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=CS1	REAL300025560466	0	24	-1.0	-45.82	253.11	1.17	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300025560467	0	31	-1.0	-43.70	308.87	2.44	-41.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300025560468	0	37	-1.0	-42.67	327.64	2.00	-40.67
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560469	0	42	-1.0	-48.98	350.71	6.02	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300025560470	0	37	-1.0	-51.19	319.81	2.31	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=NC=C2)C=CS1	REAL300025560471	0	37	-1.0	-45.45	336.01	1.02	-44.43
CC1=NN(C)C2=NC(C)=C(CC(=O)NCCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025560472	0	44	-1.0	-54.44	362.66	2.78	-51.66
O=C(CCN1C2=C(C=CC=C2)C2=C1C=CC=C2)NCCC1=NC(=O)O[N-]1	REAL300025560473	0	43	-1.0	-46.57	368.12	6.29	-40.28
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560474	0	39	-1.0	-51.01	343.06	0.58	-50.43
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300025560475	0	30	-1.0	-40.68	294.26	2.84	-37.84
O=C(NCCC1=NC(=O)O[N-]1)C(OC1=CC=CC=C1)C1=CC=CC=C1	REAL300025560476	0	41	-1.0	-50.22	354.09	5.73	-44.49
CN1C(=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025560477	0	36	-1.0	-46.96	306.10	2.33	-44.63
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560478	0	43	-1.0	-51.26	380.01	4.81	-46.45
O=C(CC1=NN(C2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025560479	0	36	-1.0	-56.68	321.60	2.03	-54.65
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560480	0	39	-1.0	-45.65	343.08	0.48	-45.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300025560481	0	35	-1.0	-58.64	325.79	4.28	-54.36
COC1=CC=CC=C1OCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560482	0	42	-1.0	-48.80	368.57	2.88	-45.92
CC1=NN=NN1C(CC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560483	0	41	-1.0	-50.01	364.49	3.05	-46.96
CCCCCCCCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560484	0	65	-1.0	-45.41	508.90	10.16	-35.25
O=C(CCCCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560485	0	39	-1.0	-45.95	353.62	5.21	-40.74
CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560486	0	40	-1.0	-48.90	349.79	0.41	-48.49
CC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025560487	0	34	-1.0	-47.24	309.77	0.53	-46.71
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300025560488	0	44	-1.0	-49.67	391.25	4.14	-45.53
O=C(CCCOC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025560489	0	37	-1.0	-51.57	339.71	3.29	-48.28
COC1=CC=CC(CC(C(=O)NCCC2=NC(=O)O[N-]2)N2N=NN=C2C)=C1	REAL300025560490	0	45	-1.0	-51.22	387.56	2.28	-48.94
CC1=NN=NN1C(CC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560491	0	41	-1.0	-52.08	364.55	3.05	-49.03
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)CC1	REAL300025560492	0	41	-1.0	-43.27	355.66	2.63	-40.64
O=C(NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025560493	0	41	-1.0	-49.85	373.33	2.67	-47.18
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560494	0	42	-1.0	-50.61	366.99	-0.72	-51.33
CC(C)(C)N1C=C(C(=O)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025560495	0	38	-1.0	-44.33	328.68	1.16	-43.17
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=C2NC=NC2=NC=N1	REAL300025560496	0	36	-1.0	-51.51	309.47	1.05	-50.46
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=C2N=CNC2=NC=N1	REAL300025560496	1	36	-1.0	-52.52	311.06	1.19	-51.33
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=C2N=CN=C2NC=N1	REAL300025560496	1	36	-1.0	-60.70	314.88	2.95	-57.75
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CC=CN21	REAL300025560497	0	30	-1.0	-49.51	290.66	2.20	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(N2CCOCC2)=NC=C1Cl	REAL300025560498	0	38	-1.0	-43.08	336.77	0.51	-42.57
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(NCC2=CC=CO2)=NC=C1Cl	REAL300025560499	0	37	-1.0	-44.39	347.54	2.58	-41.81
O=C(COC1=CC2=CC=C(Br)C=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560500	0	37	-1.0	-50.90	344.11	4.98	-45.92
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560501	0	36	-1.0	-53.05	330.93	2.84	-50.21
O=C(CCCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560502	0	36	-1.0	-47.79	327.55	4.33	-43.46
O=C(CCOC1=CC=C(F)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560503	0	34	-1.0	-44.05	320.23	2.48	-41.57
O=C(CCOC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560504	0	34	-1.0	-45.24	330.56	2.93	-42.31
CC(C)C(=O)NC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560505	0	39	-1.0	-52.84	347.60	0.82	-52.02
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560505	1	38	-2.0	-100.35	345.32	-0.29	-100.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025560506	0	43	-1.0	-57.57	385.36	2.99	-54.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300025560507	0	40	-1.0	-52.45	349.39	3.03	-49.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300025560508	0	37	-1.0	-46.00	329.95	1.88	-44.12
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C(C)(C)C	REAL300025560509	0	42	-1.0	-46.78	333.15	2.11	-44.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(Br)=C1	REAL300025560510	0	27	-1.0	-41.28	267.11	0.96	-40.32
O=C(CCCN1C=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560511	0	39	-1.0	-55.61	338.17	4.60	-51.01
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560512	0	40	-1.0	-54.49	369.02	1.98	-52.51
CCCCS(=O)(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560513	0	44	-1.0	-62.64	367.84	1.33	-61.31
CCCCS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560514	0	47	-1.0	-50.24	388.41	0.68	-49.56
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560515	0	41	-1.0	-52.82	347.33	4.46	-48.36
CC(C)(C)N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL300025560516	0	43	-1.0	-47.87	351.59	3.02	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CC=C2N1	REAL300025560517	0	31	-1.0	-46.98	291.72	2.01	-44.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC(Br)=CC=C2N1	REAL300025560518	0	31	-1.0	-46.13	313.00	2.63	-43.50
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC(F)=CC=C2N1	REAL300025560519	0	31	-1.0	-47.17	297.90	2.05	-45.12
CC(SCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560520	0	37	-1.0	-48.66	330.90	4.15	-44.51
O=C(CC1=CSC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025560521	0	33	-1.0	-48.81	304.27	3.58	-45.23
O=C(COC1=CC=C(Cl)C=C1C1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025560522	0	47	-1.0	-49.09	393.81	6.48	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1C1=CC=CC(C(F)(F)F)=C1	REAL300025560523	0	40	-1.0	-47.98	363.07	6.18	-41.80
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1	REAL300025560524	0	41	-1.0	-43.60	362.07	2.69	-40.91
O=C(CCNC(=O)NC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560525	0	39	-1.0	-56.26	360.18	0.56	-55.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC(C(F)(F)F)C1	REAL300025560526	0	36	-1.0	-47.45	306.46	2.72	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2)=NO1	REAL300025560527	0	35	-1.0	-53.57	311.39	2.88	-50.69
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2	REAL300025560528	0	41	-1.0	-47.05	362.84	4.58	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL300025560529	0	38	-1.0	-56.26	326.02	4.52	-51.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300025560530	0	34	-1.0	-46.29	321.01	3.21	-43.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F	REAL300025560531	0	44	-1.0	-45.00	371.17	6.76	-38.24
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)NC(C)C	REAL300025560532	0	48	-1.0	-58.34	404.55	1.80	-56.54
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560533	0	46	-1.0	-48.91	374.56	5.32	-43.59
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560534	0	46	-1.0	-49.89	369.66	5.05	-44.84
CC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025560535	0	37	-1.0	-51.57	336.12	4.00	-47.57
CC1=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025560536	0	46	-1.0	-49.57	371.82	5.15	-44.42
CC(C)OC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560537	0	41	-1.0	-46.98	347.02	3.60	-43.38
CCCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560538	0	41	-1.0	-46.88	350.61	3.78	-43.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300025560539	0	34	-1.0	-46.22	325.57	3.32	-42.90
COCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025560540	0	37	-1.0	-47.67	322.52	0.35	-47.32
CC1=NN(C(C)(C)C)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560541	0	42	-1.0	-47.10	343.48	2.03	-45.07
O=C(CCC1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025560542	0	30	-1.0	-44.34	296.60	2.73	-41.61
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025560543	0	36	-1.0	-58.32	315.43	-0.32	-58.64
O=C(CNC(=O)CC1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560544	0	37	-1.0	-47.12	333.31	0.78	-46.34
CC(C)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560545	0	42	-1.0	-45.00	349.55	4.96	-40.04
O=C(COC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560546	0	34	-1.0	-49.30	315.58	3.11	-46.19
CCOC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025560547	0	41	-1.0	-50.88	363.05	5.51	-45.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC3=CC=CC=C3O2)=C1	REAL300025560548	0	46	-1.0	-65.96	394.63	4.36	-61.60
O=C(CCN1CCCS1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025560549	0	35	-1.0	-56.05	311.58	-2.45	-58.50
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560550	0	34	-1.0	-59.86	323.31	0.52	-59.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=NC=CC=N2)=N1	REAL300025560551	0	34	-1.0	-49.39	319.05	0.43	-48.96
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC1CCCC1	REAL300025560552	0	45	-1.0	-47.85	366.97	3.63	-44.22
O=C(CSC1=NN=C(C2=CC3=CC=CC=C3C=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025560553	0	42	-1.0	-48.14	387.18	1.04	-47.10
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560554	0	34	-1.0	-49.49	325.40	3.70	-45.79
COC1=CC=C(COCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560555	0	38	-1.0	-52.00	331.91	1.90	-50.10
CN1C=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=N1	REAL300025560556	0	33	-1.0	-49.44	315.24	0.12	-49.32
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Br)C1=O	REAL300025560557	0	38	-1.0	-50.71	349.03	3.89	-46.82
O=C(CN1C=C(Br)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025560558	0	27	-1.0	-52.77	269.84	0.26	-52.51
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025560559	0	38	-1.0	-50.61	341.20	4.58	-46.03
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL300025560560	0	42	-1.0	-49.69	358.31	2.65	-47.04
CC1=CC(C)=C(C(=O)CCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025560561	0	47	-1.0	-54.40	393.95	5.55	-48.85
CC1=CC(C)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)=C1	REAL300025560562	0	43	-1.0	-46.50	352.32	5.18	-41.32
CC1=C(C)C2=C(SCCC(=O)NCCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025560563	0	41	-1.0	-51.85	370.49	4.01	-47.84
CCN1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025560564	0	39	-1.0	-47.34	339.22	1.07	-46.27
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025560565	0	30	-1.0	-54.36	284.44	0.29	-54.07
CC(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025560566	0	36	-1.0	-54.59	330.19	0.36	-54.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300025560567	0	36	-1.0	-52.16	321.53	1.38	-50.78
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560568	0	41	-1.0	-49.28	345.70	2.83	-46.45
CC(SC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560569	0	34	-1.0	-45.46	331.50	4.02	-41.44
O=C(CCOC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025560570	0	36	-1.0	-49.22	323.82	3.28	-45.94
CCOC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025560571	0	38	-1.0	-45.80	328.32	1.69	-44.11
CC1=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025560572	0	37	-1.0	-48.51	329.73	3.79	-44.72
CC1=CC(C)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025560573	0	40	-1.0	-46.30	337.13	4.56	-41.74
CCC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560574	0	37	-1.0	-59.27	319.71	1.25	-58.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300025560575	0	38	-1.0	-47.22	341.96	3.30	-43.92
COC1=CC(NC(=O)C(C)(C)C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025560576	0	51	-1.0	-46.19	411.32	2.16	-44.03
CC(=O)NC1=C(C)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560577	0	37	-1.0	-47.62	313.30	1.73	-45.89
O=C(CCCOCCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560578	0	43	-1.0	-48.82	366.35	3.87	-44.95
CCCS(=O)(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560579	0	44	-1.0	-50.25	356.66	0.69	-49.56
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025560580	0	35	-1.0	-56.93	340.34	4.11	-52.82
CC1=CC=C(C(C)C)C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560581	0	46	-1.0	-49.68	374.31	5.33	-44.35
CC1=CC=C(Cl)C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560582	0	37	-1.0	-51.75	331.72	3.90	-47.85
CC(C)C1=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1	REAL300025560583	0	43	-1.0	-49.13	353.69	4.64	-44.49
CC1=CC(C(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=CC(C)=C1	REAL300025560584	0	50	-1.0	-48.54	402.37	4.64	-43.90
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560585	0	38	-1.0	-51.72	345.47	-1.36	-53.08
COC1=CC=C2OC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025560586	0	37	-1.0	-49.45	326.46	1.92	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=NC=C2)=C1	REAL300025560587	0	32	-1.0	-43.70	297.17	0.82	-42.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL300025560588	0	33	-1.0	-48.45	297.59	-0.06	-48.51
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560589	0	39	-1.0	-52.97	359.54	3.42	-49.55
CC(C)SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560590	0	37	-1.0	-45.89	321.09	3.93	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL300025560591	0	41	-1.0	-47.04	364.72	6.43	-40.61
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025560592	0	33	-1.0	-51.64	310.78	1.24	-50.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CN=C2)=C1	REAL300025560593	0	33	-1.0	-49.37	296.68	3.25	-46.12
O=C(CCSCC1=CC=CC=N1)NCCC1=NC(=O)O[N-]1	REAL300025560594	0	36	-1.0	-47.78	329.01	2.55	-45.23
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(F)C=C1[N+](=O)[O-]	REAL300025560595	0	31	-1.0	-43.43	284.10	0.67	-42.76
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300025560596	0	38	-1.0	-54.12	339.30	3.02	-51.10
COC1=CC=C(Cl)C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560597	0	35	-1.0	-48.09	322.92	2.62	-45.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300025560598	0	33	-1.0	-47.87	302.91	2.23	-45.64
COC1=CC=C(C(=O)CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560599	0	42	-1.0	-58.05	360.35	2.95	-55.10
CC(SC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560600	0	34	-1.0	-49.37	318.15	3.61	-45.76
CC1=NN2C(=C1C(=O)NCCC1=NC(=O)O[N-]1)N=C(C)C=C2C	REAL300025560601	0	38	-1.0	-54.75	334.51	2.15	-52.60
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCCCC1	REAL300025560602	0	43	-1.0	-47.92	352.24	5.33	-42.59
CC(=O)NC1=CC=C(SC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560603	0	41	-1.0	-52.54	366.37	2.27	-50.27
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560604	0	34	-1.0	-46.37	336.84	4.10	-42.27
COC1=CC=C(SC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560605	0	38	-1.0	-47.23	339.70	2.68	-44.55
O=C(CCCOC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560606	0	37	-1.0	-48.97	336.03	3.13	-45.84
O=C(CCOC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025560607	0	34	-1.0	-45.38	318.21	2.52	-42.86
O=C(CCOC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560608	0	34	-1.0	-43.85	330.56	2.92	-40.93
CC1=CC=CC(NC(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=C1	REAL300025560609	0	49	-1.0	-49.85	396.04	3.87	-45.98
O=C(CC1CCCC(C(F)(F)F)C1)NCCC1=NC(=O)O[N-]1	REAL300025560610	0	39	-1.0	-44.79	325.15	3.40	-41.39
CC(C)CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025560611	0	45	-1.0	-42.80	357.07	1.36	-41.44
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560612	0	42	-1.0	-55.09	361.31	4.01	-51.08
O=C(CCC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025560613	0	33	-1.0	-45.66	305.51	3.47	-42.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Cl	REAL300025560614	0	27	-1.0	-45.56	277.12	2.67	-42.89
CC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560615	0	30	-1.0	-43.37	280.65	2.83	-40.54
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560616	0	36	-1.0	-48.63	342.75	4.78	-43.85
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025560617	0	30	-1.0	-49.26	288.35	0.75	-48.51
CC(C)NC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560618	0	42	-1.0	-54.46	356.53	0.71	-53.75
CC1=NC2=CC(F)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N=C1C	REAL300025560619	0	37	-1.0	-50.83	322.53	1.58	-49.25
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025560620	0	39	-1.0	-55.46	344.20	2.63	-52.83
CC(=O)NC1=CC(F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560621	0	34	-1.0	-46.39	301.32	0.95	-45.44
CC(C)N1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025560622	0	41	-1.0	-51.33	363.53	-0.53	-51.86
COCCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025560623	0	42	-1.0	-53.24	379.62	-1.76	-55.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3CC3)S(=O)(=O)C2=C1	REAL300025560624	0	39	-1.0	-51.70	352.77	-0.39	-52.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL300025560625	0	35	-1.0	-44.04	322.95	1.26	-42.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300025560626	0	39	-1.0	-60.02	329.45	0.90	-59.12
O=C(CCCNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560627	0	44	-1.0	-49.72	382.82	1.73	-47.99
O=C(NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CO1	REAL300025560628	0	38	-1.0	-59.05	339.32	1.56	-57.49
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025560629	0	34	-1.0	-52.11	330.31	1.63	-50.48
CC1=NC2=CC(Br)=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560630	0	35	-1.0	-45.53	322.32	3.14	-42.39
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560631	0	49	0.0	-73.95	386.65	4.57	-69.38
COC(=O)C(C)SC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560632	0	40	-1.0	-53.15	352.93	4.05	-49.10
O=C(CCC(=O)C1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025560633	0	35	-1.0	-46.04	320.50	3.00	-43.04
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560634	0	35	-1.0	-44.91	307.20	1.93	-42.98
CC(C)SC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560635	0	37	-1.0	-49.07	316.75	3.92	-45.15
NC(=O)C1=CC=C(CSC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560636	0	44	-1.0	-55.52	392.62	1.69	-53.83
CC(C)OC1=CC=C(NS(=O)(=O)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560637	0	45	-1.0	-57.13	392.62	-0.83	-57.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300025560638	0	50	0.0	-77.93	394.89	2.60	-75.33
COC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025560639	0	51	-1.0	-44.54	391.37	1.31	-43.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300025560640	0	34	-1.0	-43.79	346.88	5.24	-38.55
CCCC1=NOC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560641	0	40	-1.0	-52.62	345.38	0.78	-51.84
CCCCC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560642	0	47	-1.0	-45.03	395.43	5.85	-39.18
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025560643	0	41	-1.0	-46.36	363.37	5.90	-40.46
CC(NC(=O)C1=CC=C(Br)S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560644	0	34	-1.0	-44.32	335.61	0.62	-43.70
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C)=C1C(=O)OC	REAL300025560645	0	43	-1.0	-49.47	369.13	2.80	-46.67
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL300025560646	0	39	-1.0	-49.85	336.93	1.89	-47.96
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)O1	REAL300025560647	0	34	-1.0	-51.17	325.21	1.20	-49.97
CN(C)C1=NC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)S1	REAL300025560648	0	34	-1.0	-47.02	324.32	1.85	-45.17
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC(C)=CC=C1	REAL300025560649	0	39	-1.0	-45.01	338.59	2.38	-42.63
O=C(CCN1C=C(Br)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025560650	0	30	-1.0	-44.34	292.01	0.81	-43.53
NC(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025560651	0	38	-1.0	-59.83	336.59	0.40	-59.43
CCN(CC)C1=NC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)S1	REAL300025560652	0	40	-1.0	-46.61	367.65	3.82	-42.79
CC(C)(C)NS(=O)(=O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560653	0	37	-1.0	-56.40	311.85	-3.04	-59.44
CC(C)(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCCC2)C=C1	REAL300025560654	0	55	-1.0	-45.89	411.70	7.14	-38.75
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCCCC1	REAL300025560655	0	43	-1.0	-45.45	356.80	5.44	-40.01
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCCC2)=C1	REAL300025560656	0	46	-1.0	-45.88	356.90	5.48	-40.40
O=C(CCCS(=O)(=O)N1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025560657	0	41	-1.0	-57.69	353.63	-0.79	-58.48
CC(C(=O)N(C)CC(=O)NCCC1=NC(=O)O[N-]1)N1C=CC=N1	REAL300025560658	0	40	-1.0	-53.95	340.42	0.67	-53.28
O=C(CCOC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560659	0	51	-1.0	-54.10	414.60	4.00	-50.10
CC1=CC=C(C)N1C1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025560660	0	38	-1.0	-50.30	341.98	4.89	-45.41
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2)C1	REAL300025560661	0	35	-1.0	-41.92	311.74	1.87	-40.05
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560662	0	40	-2.0	-100.21	354.08	0.30	-99.91
CCC(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560663	0	40	-1.0	-44.13	344.84	0.43	-43.70
N#CC1=C(N)N(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025560664	0	37	-1.0	-50.49	335.13	2.14	-48.35
O=C(CC1=CC=C(F)C(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560665	0	30	-1.0	-48.04	294.94	2.88	-45.16
CC(C)OC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025560666	0	36	-1.0	-44.74	328.46	0.67	-44.07
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025560667	0	36	-1.0	-45.96	315.29	3.66	-42.30
O=C(CCC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560668	0	39	-1.0	-46.54	335.44	5.28	-41.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300025560669	0	31	-1.0	-52.01	295.35	1.44	-50.57
O=C(CNC(=O)NC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025560670	0	42	-1.0	-45.73	345.18	-0.89	-46.62
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)NCCC1=NC(=O)O[N-]1	REAL300025560671	0	41	-1.0	-45.80	355.88	2.84	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300025560672	0	34	-1.0	-47.46	321.01	3.20	-44.26
CCCC(C)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025560673	0	43	-1.0	-47.17	349.77	2.52	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CN=C21	REAL300025560674	0	32	-1.0	-52.31	299.09	2.85	-49.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C)C=C1	REAL300025560675	0	39	-1.0	-44.69	338.60	2.40	-42.29
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025560676	0	36	-1.0	-45.02	333.91	2.23	-42.79
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025560677	0	36	-1.0	-45.12	317.18	1.71	-43.41
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Br)=C1	REAL300025560678	0	36	-1.0	-44.99	338.48	2.33	-42.66
CC(C)C(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560679	0	43	-1.0	-57.82	336.65	2.95	-54.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1CCCC1	REAL300025560680	0	40	-1.0	-49.31	339.28	4.06	-45.25
CCCC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025560681	0	43	-1.0	-53.42	346.13	2.14	-51.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C(Cl)S1	REAL300025560682	0	32	-1.0	-54.00	314.61	2.80	-51.20
CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025560683	0	38	-1.0	-51.56	347.90	-1.10	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL300025560684	0	31	-1.0	-50.18	283.74	0.48	-49.70
CC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025560685	0	27	-1.0	-44.35	265.74	-0.78	-45.13
O=C(NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1)NC1CC1	REAL300025560686	0	40	-1.0	-59.59	346.14	0.78	-58.81
CCS(=O)(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025560687	0	41	-1.0	-50.32	344.85	-0.92	-51.24
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2S1	REAL300025560688	0	37	-1.0	-53.28	335.13	3.29	-49.99
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1CCNC1=O	REAL300025560689	0	40	-1.0	-53.89	342.07	1.44	-52.45
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCOCC1	REAL300025560690	0	41	-1.0	-43.83	343.75	2.98	-40.85
O=C(C=CC1=CC2=CC=CN=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560691	0	36	-1.0	-49.18	318.99	3.10	-46.08
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560692	0	44	-1.0	-59.91	381.59	3.82	-56.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C3NC=NC3=C2)=C1	REAL300025560693	0	44	-1.0	-69.86	380.99	3.19	-66.67
CCC1=NOC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025560694	0	34	-1.0	-45.24	303.22	-0.28	-45.52
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025560695	0	42	-1.0	-47.91	368.78	4.82	-43.09
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025560696	0	39	-1.0	-52.19	350.24	3.53	-48.66
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(F)C=C21	REAL300025560697	0	33	-1.0	-43.50	303.43	3.63	-39.87
O=C(CCOC1=CC=CC=C1)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025560698	0	51	-1.0	-49.47	414.90	3.99	-45.48
CC(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300025560699	0	46	-1.0	-57.54	393.98	4.11	-53.43
CCSCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560700	0	37	-1.0	-46.94	330.89	4.31	-42.63
COC(=O)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560701	0	37	-1.0	-56.80	329.15	2.46	-54.34
CCC1=CC=C(C(=O)NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CS2)C=C1	REAL300025560702	0	44	-1.0	-46.04	384.87	4.32	-41.72
COC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560703	0	37	-1.0	-52.67	329.07	2.47	-50.20
COC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CC(=O)OC2=C1	REAL300025560704	0	39	-1.0	-55.40	342.07	2.91	-52.49
CSC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL300025560705	0	34	-1.0	-50.28	314.31	3.06	-47.22
O=C(CCNC(=O)OCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025560706	0	34	-1.0	-51.10	321.00	-1.67	-52.77
O=C(CCCOC1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025560707	0	37	-1.0	-53.50	325.52	2.69	-50.81
CCNC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025560708	0	42	-1.0	-55.48	340.33	-1.09	-56.57
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560709	0	41	-1.0	-58.42	347.04	4.23	-54.19
CC(SC1=NN=NN1C1CC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560710	0	36	-1.0	-45.85	329.89	1.13	-44.72
CCCOC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560711	0	37	-1.0	-48.02	330.70	4.33	-43.69
C=CC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560712	0	38	-1.0	-50.16	337.64	1.08	-49.08
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025560713	0	45	-1.0	-48.96	376.41	2.04	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300025560714	0	38	-1.0	-48.59	336.90	3.19	-45.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300025560715	0	40	-1.0	-48.89	352.45	2.26	-46.63
NC(=O)C1CCCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025560716	0	46	-1.0	-51.55	371.90	-0.58	-52.13
O=C(CCCOC1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560717	0	37	-1.0	-51.02	325.71	2.68	-48.34
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1	REAL300025560718	0	41	-1.0	-51.94	366.37	2.94	-49.00
CCN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025560719	0	37	-1.0	-45.43	316.65	3.98	-41.45
CC(NC(=O)C1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560720	0	43	-1.0	-44.21	347.62	1.13	-43.08
CC1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1F	REAL300025560721	0	41	-1.0	-47.37	366.92	2.37	-45.00
CC1=CC(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)=CC=C1F	REAL300025560722	0	41	-1.0	-46.13	366.92	2.37	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=CC=CO1	REAL300025560723	0	41	-1.0	-58.82	336.18	2.88	-55.94
CCCCCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560724	0	49	-1.0	-48.05	405.28	5.59	-42.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CS1	REAL300025560725	0	35	-1.0	-47.33	317.66	3.96	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300025560726	0	34	-1.0	-45.93	321.41	3.21	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300025560727	0	34	-1.0	-45.39	345.30	5.19	-40.20
O=C(CCC1=CC=C(C2=CC=CC=C2)N1)NCCC1=NC(=O)O[N-]1	REAL300025560728	0	41	-1.0	-46.52	352.14	4.33	-42.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300025560729	0	35	-1.0	-47.16	323.15	1.28	-45.88
CC1=CNC(=O)N1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560730	0	38	-1.0	-54.63	335.82	2.41	-52.22
O=C(CNC(=O)NCC1=CC=CO1)NCCC1=NC(=O)O[N-]1	REAL300025560731	0	36	-1.0	-46.80	323.59	-2.46	-49.26
CC1=CC=C(C)C(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560732	0	46	-1.0	-47.65	382.28	4.81	-42.84
COC1=CC=C([N+](=O)[O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560733	0	33	-1.0	-54.90	297.04	2.52	-52.38
CC(C)OC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560734	0	37	-1.0	-48.26	331.70	4.25	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300025560735	0	34	-1.0	-46.28	311.09	2.76	-43.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025560736	0	43	0.0	-59.68	341.30	4.08	-55.60
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025560736	1	43	0.0	-59.63	341.30	4.07	-55.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=CC=C1	REAL300025560736	1	42	-1.0	-46.01	340.77	1.88	-44.13
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025560737	0	39	-1.0	-57.42	340.15	2.44	-54.98
COC1=CC=C(Cl)C=C1NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560738	0	39	-1.0	-48.00	348.06	1.06	-46.94
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL300025560739	0	35	-1.0	-45.78	323.40	0.83	-44.95
COC1=CC=C(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025560740	0	38	-1.0	-48.61	334.16	1.99	-46.62
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025560741	0	39	-1.0	-45.14	341.50	4.46	-40.68
CC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025560742	0	44	-1.0	-44.40	337.02	2.74	-41.66
CC1=CC=CC(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560743	0	43	-1.0	-47.53	362.20	4.07	-43.46
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025560744	0	44	-1.0	-44.57	377.87	1.92	-42.65
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560745	0	44	-1.0	-58.12	368.95	4.68	-53.44
CC(OC1=CC=CC(C#N)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560746	0	35	-1.0	-53.23	314.32	3.12	-50.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1	REAL300025560747	0	44	-1.0	-51.56	375.57	5.77	-45.79
NC(=O)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560748	0	35	-1.0	-56.71	311.29	-1.10	-57.81
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCCCC1	REAL300025560749	0	43	-1.0	-49.11	341.91	4.89	-44.22
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300025560750	0	41	-1.0	-47.77	366.65	6.01	-41.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300025560751	0	37	-1.0	-51.85	342.74	3.71	-48.14
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025560752	0	35	-1.0	-51.53	332.17	-0.28	-51.81
CC(C)(C)C(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025560753	0	46	-1.0	-53.51	354.27	2.03	-51.48
CCOC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560754	0	33	-1.0	-44.17	307.09	-0.15	-44.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300025560755	0	30	-1.0	-44.90	319.22	2.00	-42.90
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560756	0	33	-1.0	-52.62	340.25	2.81	-49.81
NC(=O)C1=CC=C(C=CC(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560757	0	49	-1.0	-63.81	413.95	1.08	-62.73
CC(C)(C)OC(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560758	0	47	-1.0	-54.26	367.27	3.02	-51.24
CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560759	0	50	-1.0	-48.77	406.51	4.62	-44.15
CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560760	0	43	-1.0	-43.07	344.15	-0.22	-43.29
COCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025560761	0	41	-1.0	-52.76	353.62	3.18	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL300025560762	0	40	-1.0	-44.78	353.23	2.38	-42.40
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(=O)N1C1=CC(Cl)=CC=C1S2	REAL300025560763	0	37	-1.0	-54.76	349.89	3.33	-51.43
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCCCC1	REAL300025560764	0	43	-1.0	-46.03	341.90	4.89	-41.14
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCOCC2)C=C1	REAL300025560765	0	45	-1.0	-47.40	356.68	1.77	-45.63
C=CCOC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560766	0	34	-1.0	-44.09	319.99	0.43	-43.66
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCOCC1	REAL300025560767	0	41	-1.0	-44.15	333.42	2.53	-41.62
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCOCC1	REAL300025560768	0	41	-1.0	-45.94	333.58	2.54	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CC2)C=C1	REAL300025560769	0	38	-1.0	-46.42	326.24	3.36	-43.06
O=C(CSCC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560770	0	34	-1.0	-48.58	343.15	4.53	-44.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C(C)C=CC(C)=C12	REAL300025560771	0	39	-1.0	-44.65	328.82	3.75	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=C(Cl)C(Cl)=C1	REAL300025560772	0	38	-1.0	-45.68	357.35	5.08	-40.60
CC(C)C(NC(=O)CC1=CC2=CC=CC=C2C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560773	0	52	-1.0	-46.64	424.01	5.31	-41.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300025560774	0	33	-1.0	-49.12	314.59	2.71	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)(F)F	REAL300025560775	0	30	-1.0	-48.98	293.85	1.79	-47.19
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025560776	0	42	-1.0	-44.08	362.95	2.22	-41.86
CCCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560777	0	50	-1.0	-45.40	401.40	6.25	-39.15
COCCOC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560778	0	37	-1.0	-54.40	323.81	-0.32	-54.72
O=C(CCSC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560779	0	34	-1.0	-44.78	329.41	4.11	-40.67
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300025560780	0	44	-1.0	-54.40	371.79	3.29	-51.11
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300025560781	0	38	-1.0	-49.00	326.59	2.74	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O	REAL300025560782	0	38	-1.0	-47.14	352.57	3.66	-43.48
CC1=CC(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)=CC(C)=C1	REAL300025560783	0	44	-1.0	-49.95	364.04	3.94	-46.01
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O	REAL300025560784	0	38	-1.0	-48.84	361.38	4.24	-44.60
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300025560785	0	46	-1.0	-45.60	405.92	6.93	-38.67
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300025560786	0	49	-1.0	-45.88	417.65	7.41	-38.47
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1F	REAL300025560787	0	46	-1.0	-48.53	406.77	7.00	-41.53
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=N1	REAL300025560788	0	36	-1.0	-55.18	316.96	1.02	-54.16
CC1=CSC(C(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C(F)(F)F)=N1	REAL300025560789	0	36	-1.0	-45.28	331.39	-0.53	-45.81
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025560790	0	34	-1.0	-56.50	306.26	1.42	-55.08
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560791	0	42	-1.0	-49.75	372.03	5.22	-44.53
CC(C)OC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560792	0	37	-1.0	-48.13	327.14	4.14	-43.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCOC2=C1	REAL300025560793	0	30	-1.0	-45.15	290.63	0.83	-44.32
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025560794	0	48	-1.0	-51.76	402.89	2.05	-49.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025560795	0	41	-1.0	-48.36	364.76	5.05	-43.31
CC(=O)NC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560796	0	34	-1.0	-55.20	303.96	0.52	-54.68
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025560797	0	34	-1.0	-55.10	305.31	0.55	-54.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300025560798	0	34	-1.0	-46.79	338.12	3.94	-42.85
CC1=C(C)C2=C(NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=NC2=O)S1	REAL300025560799	0	41	-1.0	-53.43	361.80	1.48	-51.95
CC1=NOC(Cl)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560800	0	32	-1.0	-44.83	302.09	1.61	-43.22
COCCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560801	0	38	-1.0	-53.98	326.11	2.25	-51.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300025560802	0	47	-1.0	-46.14	377.80	5.17	-40.97
COCCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560803	0	38	-1.0	-51.95	328.26	1.03	-50.92
O=C(CCNC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560804	0	37	-1.0	-55.40	330.80	0.73	-54.67
CC1=CC=C(C)N1C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL300025560805	0	41	-1.0	-49.39	355.74	4.12	-45.27
CCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560806	0	40	-1.0	-46.21	340.69	3.25	-42.96
CNC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025560807	0	42	-1.0	-58.96	362.44	0.15	-58.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC(F)=CC=C21	REAL300025560808	0	42	-1.0	-44.97	362.54	5.63	-39.34
CC1=CC=C(OCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C(C)=C1	REAL300025560809	0	44	-1.0	-45.63	380.80	4.41	-41.22
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300025560810	0	37	-1.0	-43.68	333.09	4.42	-39.26
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C(C)C=CC=C12	REAL300025560811	0	36	-1.0	-44.52	313.75	3.28	-41.24
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300025560812	0	40	-1.0	-51.76	334.40	2.10	-49.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1	REAL300025560813	0	41	-1.0	-50.69	371.28	5.33	-45.36
O=C(CN1C=CC2=CC=C(Cl)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025560814	0	34	-1.0	-50.84	317.80	4.20	-46.64
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560815	0	40	-1.0	-49.20	352.30	1.53	-47.67
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=NC2=N1	REAL300025560816	0	28	-1.0	-48.08	285.55	2.28	-45.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC=C2C2=CC=C(F)C=C2)C=C1	REAL300025560817	0	44	-1.0	-48.76	381.86	5.84	-42.92
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1	REAL300025560818	0	38	-1.0	-47.08	356.08	3.49	-43.59
CC(C)OC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560819	0	36	-1.0	-44.00	327.23	0.76	-43.24
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1	REAL300025560820	0	30	-1.0	-40.93	283.93	2.38	-38.55
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560821	0	36	-1.0	-59.36	336.25	4.40	-54.96
COC1=CC=C(OCC2=CC=CC=N2)C(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560822	0	48	-1.0	-50.73	410.17	3.66	-47.07
COC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025560823	0	36	-1.0	-45.97	317.89	0.75	-45.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(=O)CCC2=O)C=C1	REAL300025560824	0	39	-1.0	-52.31	340.19	0.56	-51.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=NC=C2)NC1=O	REAL300025560825	0	36	-1.0	-52.20	315.03	0.54	-51.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(C2CC2)=NN1	REAL300025560826	0	31	-1.0	-44.49	297.34	0.81	-43.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(C2=CC=CC=C2)=NN1	REAL300025560827	0	34	-1.0	-45.66	321.37	2.05	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1C=CC=N1	REAL300025560828	0	37	-1.0	-43.92	324.12	2.70	-41.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025560829	0	33	-1.0	-45.45	314.22	2.34	-43.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL300025560830	0	40	-1.0	-57.29	346.35	4.58	-52.71
CS(=O)(=O)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=CC=CN21	REAL300025560831	0	36	-1.0	-57.27	331.24	-0.69	-57.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC(Br)=C2	REAL300025560832	0	28	-1.0	-43.55	289.06	1.30	-42.25
CCCCN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560833	0	44	-1.0	-47.33	359.39	4.43	-42.90
NS(=O)(=O)C1=C(Br)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560834	0	29	-1.0	-49.42	309.46	-3.78	-53.20
CCCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560835	0	44	-1.0	-47.17	359.69	4.58	-42.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1Cl	REAL300025560836	0	33	-1.0	-44.29	310.19	2.24	-42.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=N2)=N1	REAL300025560837	0	32	-1.0	-49.46	306.10	0.48	-48.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025560838	0	40	-1.0	-46.30	333.00	0.54	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025560839	0	45	0.0	-68.36	359.58	3.38	-64.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025560839	1	45	0.0	-68.39	359.51	3.38	-65.01
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CSC2=NC=CC=N2)C2=CC=CC=C2O1	REAL300025560840	0	42	-1.0	-51.32	384.83	4.42	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCSCC1	REAL300025560841	0	43	-1.0	-45.47	359.66	3.23	-42.24
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL300025560842	0	46	-1.0	-47.16	389.11	2.58	-44.58
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1NC(=O)C1=CC=NC=C1	REAL300025560843	0	43	-1.0	-48.64	364.18	3.07	-45.57
CC1=NN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025560844	0	30	-1.0	-43.79	291.64	0.35	-43.44
CC1=NN(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025560845	0	37	-1.0	-57.10	323.62	3.32	-53.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300025560846	0	35	-1.0	-46.17	312.68	2.85	-43.32
CC(C)(C)OC(=O)NCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560847	0	52	-1.0	-51.28	420.43	2.12	-49.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1	REAL300025560848	0	38	-1.0	-46.81	353.00	6.12	-40.69
CN1C2=NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025560849	0	38	-2.0	-84.20	341.67	-2.43	-86.63
CN1C2=C(N=C(CCC(=O)NCCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025560849	1	38	-2.0	-84.60	341.81	-1.69	-86.29
CN1C2=C(NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025560849	1	39	-1.0	-49.00	344.88	-1.33	-50.33
CN1C2=C([N-]C(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025560849	1	38	-2.0	-84.75	341.51	-1.78	-86.53
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=N1	REAL300025560850	0	36	-1.0	-52.16	317.10	1.11	-51.05
COC1=CC=C2C(=C1)OC(C(=O)NCCC1=NC(=O)O[N-]1)=C2C1=CC=CC=C1	REAL300025560851	0	44	-1.0	-46.37	382.10	4.88	-41.49
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1CC(C)OC(C)C1	REAL300025560852	0	48	-1.0	-46.59	359.24	0.70	-45.89
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025560852	1	49	0.0	-58.32	363.49	2.40	-55.92
COC(=O)NC(CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560853	0	40	-1.0	-44.32	328.79	-0.12	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300025560854	0	46	0.0	-62.49	364.75	5.41	-57.08
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300025560854	1	46	0.0	-68.41	371.05	5.21	-63.20
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025560855	0	46	0.0	-74.17	364.65	5.19	-68.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025560856	0	46	0.0	-61.22	358.40	5.34	-55.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025560856	1	46	0.0	-64.55	364.59	5.14	-59.41
COC1=CC=C(C(=O)CNC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560857	0	46	-1.0	-49.63	397.82	0.61	-49.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300025560858	0	37	-1.0	-48.60	326.81	2.60	-46.00
CN1C=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025560859	0	37	-1.0	-51.38	322.28	4.00	-47.38
CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560860	0	43	-1.0	-46.02	353.56	2.92	-43.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300025560861	0	30	-1.0	-46.73	287.57	2.59	-44.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(F)=C1	REAL300025560862	0	27	-1.0	-42.58	270.29	2.20	-40.38
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025560863	0	44	-1.0	-45.96	350.97	4.12	-41.84
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)OCC1=CC=CC=C1	REAL300025560864	0	48	-1.0	-56.22	394.17	5.04	-51.18
CS(=O)(=O)C1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560865	0	40	-1.0	-53.35	358.47	-0.62	-53.97
CCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560866	0	36	-1.0	-52.03	325.42	-0.03	-52.06
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560867	0	40	-1.0	-44.98	331.86	-0.74	-45.72
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560868	0	44	-1.0	-55.08	357.20	1.89	-53.19
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560869	0	40	-1.0	-45.02	331.86	-0.74	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025560870	0	36	-1.0	-49.51	332.88	3.36	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300025560871	0	34	-1.0	-50.26	308.66	2.85	-47.41
CC(=O)CCC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560872	0	45	-1.0	-49.35	385.39	3.98	-45.37
CC(=O)C1=CC=CC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560873	0	42	-1.0	-57.77	359.79	3.01	-54.76
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560874	0	50	-1.0	-45.04	396.57	2.37	-42.67
O=C(CNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560875	0	38	-1.0	-46.13	339.18	0.30	-45.83
CC(C)(C)NS(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560876	0	47	-1.0	-56.17	390.76	0.39	-55.78
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025560877	0	35	-1.0	-51.90	308.85	3.39	-48.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=C(Cl)C=C1Cl	REAL300025560878	0	37	-1.0	-52.36	361.07	4.00	-48.36
CC1=NN(C(F)F)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560879	0	36	-1.0	-50.84	322.03	1.14	-49.70
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025560880	0	42	-1.0	-51.28	343.45	2.31	-48.97
N#CCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025560881	0	43	-1.0	-56.50	392.57	4.88	-51.62
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560882	0	35	-1.0	-51.45	320.04	3.22	-48.23
CCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025560883	0	40	-1.0	-46.75	335.42	3.27	-43.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=C(Cl)C=C1Cl	REAL300025560884	0	38	-1.0	-51.03	364.13	6.63	-44.40
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560885	0	41	-1.0	-49.98	353.38	2.99	-46.99
CN1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025560886	0	34	-1.0	-51.16	300.78	0.39	-50.77
CN(C)C(=O)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025560887	0	36	-1.0	-55.48	321.15	-1.69	-57.17
CC1=CC=C(C2=NN(CCC#N)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025560888	0	47	-1.0	-55.45	402.76	5.41	-50.04
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025560889	0	51	0.0	-74.70	389.67	3.80	-70.90
O=C(CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025560890	0	41	-1.0	-52.97	360.31	2.89	-50.08
O=C(CC1=CSC(CC2=CC=C(F)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560891	0	39	-1.0	-53.40	361.17	3.93	-49.47
CC1=CC=CC=C1N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025560892	0	44	-1.0	-49.51	363.70	5.35	-44.16
N#CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025560893	0	32	-1.0	-53.91	313.68	3.03	-50.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCSCC2)=CN1	REAL300025560894	0	41	-1.0	-53.67	369.48	-0.93	-54.60
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)S2)=N1	REAL300025560895	0	33	-1.0	-42.39	336.57	2.81	-39.58
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300025560896	0	30	-1.0	-41.37	294.26	2.83	-38.54
CC(C)OC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560897	0	40	-1.0	-48.91	337.22	3.07	-45.84
COC1=CC=CC=C1C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560898	0	37	-1.0	-47.02	336.88	1.89	-45.13
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CCN2CCOCC2)C1	REAL300025560899	0	47	-1.0	-49.31	380.63	-1.41	-50.72
NS(=O)(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560900	0	35	-1.0	-57.11	321.56	-2.80	-59.91
CS(=O)(=O)C1=CC=C(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560901	0	46	-1.0	-55.07	401.46	0.93	-54.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300025560902	0	34	-1.0	-63.68	313.28	2.49	-61.19
CC1=CC=C(CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560903	0	42	-1.0	-46.40	353.73	5.26	-41.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300025560904	0	34	-1.0	-48.70	316.38	3.39	-45.31
O=C(COC1=CC=C([N+](=O)[O-])C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560905	0	33	-1.0	-51.66	309.57	2.80	-48.86
O=C(C=CC1=CC=C(F)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025560906	0	33	-1.0	-55.03	309.95	3.38	-51.65
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025560907	0	50	-1.0	-49.62	390.54	3.16	-46.46
COC1=CC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)COC2=C1	REAL300025560908	0	39	-1.0	-45.91	327.33	1.38	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300025560909	0	33	-1.0	-47.19	312.73	1.78	-45.41
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)NCCC1=NC(=O)O[N-]1	REAL300025560910	0	47	-1.0	-50.95	395.05	7.92	-43.03
O=C(CCCOC1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025560911	0	37	-1.0	-52.30	331.93	2.75	-49.55
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025560912	0	40	-1.0	-48.14	360.91	1.05	-47.09
NS(=O)(=O)C1=CN(CCC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025560913	0	35	-1.0	-51.47	326.70	-4.94	-56.41
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL300025560914	0	38	-1.0	-46.04	327.26	4.23	-41.81
CC(C)CN1N=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025560915	0	41	-1.0	-46.61	349.37	3.11	-43.50
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(C)(C)C)=N1	REAL300025560916	0	38	-1.0	-43.96	329.53	1.85	-42.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300025560917	0	34	-1.0	-42.28	309.82	3.38	-38.90
O=C(CSCC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560918	0	36	-1.0	-56.39	349.13	3.96	-52.43
CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025560919	0	37	-1.0	-51.44	323.01	4.36	-47.08
CCCCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560920	0	47	-1.0	-47.16	381.19	5.37	-41.79
CC(C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025560921	0	42	-1.0	-53.03	376.41	4.74	-48.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=C([N+](=O)[O-])C=C12	REAL300025560922	0	33	-1.0	-62.09	303.88	2.19	-59.90
CC1=NC(S(=O)(=O)N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CN1C	REAL300025560923	0	48	-1.0	-61.24	404.55	0.33	-60.91
NS(=O)(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025560924	0	32	-1.0	-58.83	304.50	-5.50	-64.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=N1	REAL300025560925	0	36	-1.0	-42.28	333.71	1.93	-40.35
CCOC(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1)OCC	REAL300025560926	0	43	-1.0	-45.65	369.95	-0.45	-46.10
O=C(CSCC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560927	0	36	-1.0	-57.30	332.41	3.44	-53.86
CCN1C=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025560928	0	40	-1.0	-50.82	344.14	4.90	-45.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300025560929	0	37	-1.0	-52.07	324.74	3.75	-48.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025560930	0	35	-1.0	-47.35	338.74	3.02	-44.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300025560931	0	35	-1.0	-46.71	338.76	3.02	-43.69
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025560932	0	36	-1.0	-47.30	330.47	4.12	-43.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1	REAL300025560933	0	45	-1.0	-55.00	379.12	-0.81	-55.81
O=C(CCC1=NC(C2=NNC=N2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025560934	0	34	-1.0	-54.58	315.65	-1.25	-55.83
O=C(CCCOC1=CC=CC(Cl)=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560935	0	37	-1.0	-52.81	350.51	3.64	-49.17
CC(=O)CCC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560936	0	45	-1.0	-52.52	380.97	4.87	-47.65
CC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C(C)=C1	REAL300025560937	0	39	-1.0	-45.04	351.60	3.87	-41.17
CC(C)(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025560938	0	49	-1.0	-45.31	386.91	6.14	-39.17
CC(=O)C1=CC=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560939	0	39	-1.0	-59.10	336.24	3.21	-55.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1	REAL300025560940	0	33	-1.0	-45.45	339.66	3.76	-41.69
O=C(CC1=CSC(C2=CC=C(Cl)C=C2Cl)=N1)NCCC1=NC(=O)O[N-]1	REAL300025560941	0	36	-1.0	-52.24	360.69	4.57	-47.67
N#CCCCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560942	0	40	-1.0	-60.27	367.77	1.29	-58.98
N#CC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025560943	0	39	-1.0	-49.73	342.81	2.87	-46.86
COC1=CC=CC=C1C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560944	0	40	-1.0	-48.35	324.02	3.34	-45.01
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025560945	0	37	-1.0	-43.97	336.56	4.55	-39.42
O=C(CC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560946	0	30	-1.0	-45.80	298.89	3.16	-42.64
NS(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560947	0	35	-1.0	-58.42	321.57	-2.82	-61.24
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025560948	0	46	0.0	-62.66	378.92	5.32	-57.34
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025560948	1	46	0.0	-62.69	379.02	5.33	-57.36
COC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560949	0	39	-1.0	-45.92	338.85	2.16	-43.76
COC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025560950	0	37	-1.0	-54.39	332.34	2.85	-51.54
O=C(CCOC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025560951	0	34	-1.0	-43.84	334.94	3.03	-40.81
CC(C)C1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560952	0	43	-1.0	-45.67	358.00	3.78	-41.89
CC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025560953	0	37	-1.0	-45.19	339.62	3.19	-42.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CS1	REAL300025560954	0	24	-1.0	-44.50	256.91	1.17	-43.33
O=C(CNC(=O)NCC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560955	0	41	-1.0	-49.42	371.06	0.09	-49.33
CC(C)(C)CC(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560956	0	46	-1.0	-55.13	362.20	3.44	-51.69
COC1=CC=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C(F)=C1	REAL300025560957	0	37	-1.0	-44.78	338.69	1.97	-42.81
CS(=O)(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025560958	0	35	-1.0	-54.55	331.29	-1.18	-55.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL300025560959	0	40	-1.0	-47.14	327.08	0.37	-46.77
CN1C=CN=C1SCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560960	0	41	-1.0	-52.28	369.10	5.05	-47.23
COC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560961	0	40	-1.0	-49.38	340.33	3.11	-46.27
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025560962	0	39	-1.0	-53.08	355.62	4.31	-48.77
O=C(CCC1=CC=C(Br)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025560963	0	33	-1.0	-45.53	316.08	3.68	-41.85
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560964	0	48	-1.0	-48.57	393.08	6.65	-41.92
C=CCN1C(=O)C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025560965	0	35	-1.0	-50.79	327.50	0.06	-50.73
O=C(CCCCC1SCC2NC(=O)NC12)NCCC1=NC(=O)O[N-]1	REAL300025560966	0	44	-1.0	-52.35	373.04	-0.60	-52.95
CCN(C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025560967	0	44	-1.0	-47.20	348.51	4.09	-43.11
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560968	0	37	-2.0	-99.74	332.58	-0.49	-100.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=NC=N2)=C1	REAL300025560969	0	32	-1.0	-53.03	294.01	3.41	-49.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCOCC1	REAL300025560970	0	40	-1.0	-48.16	328.63	1.69	-46.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCOCC1	REAL300025560971	0	39	-1.0	-49.20	326.34	0.71	-48.49
O=C(CC1C(=O)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560972	0	35	-1.0	-54.59	304.85	1.94	-52.65
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300025560973	0	34	-1.0	-49.75	317.06	3.39	-46.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)S1	REAL300025560974	0	33	-1.0	-47.47	322.44	3.37	-44.10
COC1=CC=C(Cl)C=C1NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025560975	0	36	-1.0	-46.67	325.93	0.43	-46.24
O=C(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025560976	0	40	-1.0	-53.61	372.31	-0.76	-54.37
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025560977	0	41	-1.0	-49.24	351.35	4.61	-44.63
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560978	0	42	0.0	-70.04	343.36	3.14	-66.90
CCN(CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560978	1	41	-1.0	-43.94	341.16	0.91	-43.03
O=C(CCCOC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025560979	0	37	-1.0	-51.81	335.33	3.17	-48.64
CC(C)C1=NC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025560980	0	34	-1.0	-42.27	311.63	1.30	-40.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CO2)NC1=O	REAL300025560981	0	34	-1.0	-50.90	305.16	0.49	-50.41
O=C(CCCOCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025560982	0	40	-1.0	-49.95	344.85	3.09	-46.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1	REAL300025560983	0	43	-1.0	-50.58	368.88	1.95	-48.63
CCCN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560984	0	41	-1.0	-47.30	337.89	3.65	-43.65
CS(=O)(=O)C1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560985	0	43	-1.0	-57.37	379.96	0.14	-57.23
CCC[N@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560986	0	48	0.0	-74.58	378.58	5.54	-69.04
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560986	1	48	0.0	-74.55	379.32	5.56	-68.99
CCCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025560987	0	43	-1.0	-46.58	356.92	4.02	-42.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025560988	0	33	-1.0	-45.67	342.45	3.32	-42.35
CC1=NC2=CC=C(Br)C=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560989	0	35	-1.0	-47.34	322.36	3.13	-44.21
COC1=CC=CC2=C1OCC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025560990	0	37	-1.0	-48.61	318.47	1.90	-46.71
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL300025560991	0	34	-1.0	-46.34	315.88	4.23	-42.11
CC1=NN(CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025560992	0	43	-1.0	-48.17	364.93	4.10	-44.07
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560993	0	44	-1.0	-50.77	368.69	6.56	-44.21
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025560994	0	29	-1.0	-48.67	291.54	-4.44	-53.11
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025560995	0	36	-1.0	-53.52	329.20	4.35	-49.17
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300025560996	0	44	-1.0	-53.41	377.24	1.62	-51.79
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025560996	1	43	-2.0	-95.26	377.31	0.71	-94.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(N)(=O)=O)S1	REAL300025560997	0	32	-1.0	-49.30	309.03	-3.75	-53.05
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=S)NN=C1C1=CC=CS1	REAL300025560998	0	37	-1.0	-55.53	340.78	3.11	-52.42
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300025560998	1	36	-2.0	-108.68	337.09	2.97	-105.71
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025560999	0	31	-1.0	-47.70	288.96	1.47	-46.23
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025561000	0	38	-2.0	-112.51	363.62	-0.59	-113.10
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C2OCOC2=C1	REAL300025561001	0	44	-1.0	-58.23	368.02	2.44	-55.79
COC1=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)=CC=C1C	REAL300025561002	0	44	-1.0	-47.28	360.52	3.82	-43.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1	REAL300025561003	0	39	-1.0	-52.56	357.77	-0.56	-53.12
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025561004	0	33	-1.0	-52.56	304.29	1.50	-51.06
CC(C)(C)OC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561005	0	42	-1.0	-51.84	354.11	2.25	-49.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2N1	REAL300025561006	0	31	-1.0	-47.23	298.06	2.07	-45.16
O=C(CC1=CNC2=CC(F)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025561007	0	34	-1.0	-50.14	306.25	2.34	-47.80
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561008	0	39	-1.0	-46.88	349.13	5.47	-41.41
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025561009	0	33	-1.0	-47.33	298.76	2.27	-45.06
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025561010	0	46	0.0	-74.17	364.65	5.19	-68.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC=CC=C2)=N1	REAL300025561011	0	37	-1.0	-46.48	323.08	2.59	-43.89
O=C(NCCC1=NC(=O)O[N-]1)C(OC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300025561012	0	41	-1.0	-48.29	370.37	6.23	-42.06
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561013	0	34	-1.0	-50.86	306.18	2.85	-48.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=NC=C1	REAL300025561014	0	37	-1.0	-47.04	320.64	2.87	-44.17
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561015	0	40	-1.0	-52.55	357.99	-2.78	-55.33
CC[N@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025561016	0	48	0.0	-71.78	366.64	4.89	-66.89
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025561016	1	48	0.0	-71.85	360.96	4.62	-67.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1	REAL300025561017	0	35	-1.0	-44.06	336.49	1.48	-42.58
CC1=CC=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561018	0	30	-1.0	-45.62	286.45	3.29	-42.33
CCCNC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561019	0	45	-1.0	-53.33	382.15	1.34	-51.99
CC1CCC(NS(=O)(=O)CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561020	0	44	-1.0	-56.25	360.44	-1.20	-57.45
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(Br)C=C1	REAL300025561021	0	38	-1.0	-45.53	342.15	4.79	-40.74
COCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025561022	0	40	-1.0	-45.77	347.44	-0.93	-46.70
O=C(CC1CCCC1)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561023	0	53	-1.0	-51.99	412.50	3.56	-48.43
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL300025561024	0	40	-1.0	-44.95	315.02	4.36	-40.59
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCOCC1	REAL300025561025	0	41	-1.0	-45.36	348.47	3.10	-42.26
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561026	0	37	-1.0	-44.63	340.96	4.94	-39.69
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561027	0	39	-1.0	-52.93	357.64	1.84	-51.09
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561028	0	36	-1.0	-46.88	316.16	2.18	-44.70
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561029	0	36	-1.0	-47.16	322.09	2.96	-44.20
O=C(CC1CCCCC1)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561030	0	56	-1.0	-51.74	429.15	4.20	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300025561031	0	36	-1.0	-47.48	340.30	3.09	-44.39
CCCOC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025561032	0	43	-1.0	-45.00	383.35	3.38	-41.62
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)NCCC1=NC(=O)O[N-]1	REAL300025561033	0	41	-1.0	-49.84	369.25	-0.62	-50.46
CC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025561034	0	37	-1.0	-50.83	321.21	2.93	-47.90
CC(SC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)C(=O)N1CCCC1	REAL300025561035	0	47	-1.0	-59.66	395.09	3.54	-56.12
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCC1C(=O)N1CCCC1	REAL300025561036	0	47	-1.0	-52.18	370.03	2.91	-49.27
CC1=NC(CN2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CS1	REAL300025561037	0	44	-1.0	-46.42	368.67	0.79	-45.63
CC1=NC(C[NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CS1	REAL300025561037	1	45	0.0	-72.21	371.99	2.95	-69.26
CCC(C)C(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561038	0	46	-1.0	-53.03	360.86	2.45	-50.58
CS(=O)(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025561039	0	35	-1.0	-54.95	322.24	-1.68	-56.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025561040	0	36	-1.0	-44.49	349.60	3.36	-41.13
O=C(CCNC(=O)C1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561041	0	43	-1.0	-54.90	350.19	0.93	-53.97
CS(=O)(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025561042	0	33	-1.0	-57.25	313.07	-2.09	-59.34
O=C(NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1)C1CCCC1	REAL300025561043	0	50	-1.0	-47.17	387.90	3.24	-43.93
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1	REAL300025561044	0	47	-1.0	-54.74	387.34	2.04	-52.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=C2)C=C1	REAL300025561045	0	33	-1.0	-52.01	294.07	4.51	-47.50
NS(=O)(=O)C1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561046	0	39	-1.0	-51.92	351.96	-3.19	-55.11
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300025561047	0	33	-1.0	-45.56	305.35	3.45	-42.11
CC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025561048	0	46	-1.0	-44.41	344.76	5.12	-39.29
CC1=NC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025561049	0	38	-1.0	-54.94	345.56	-3.19	-58.13
CC1=NC(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025561050	0	41	-1.0	-56.25	367.60	-2.56	-58.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1	REAL300025561051	0	44	-1.0	-51.28	361.27	2.94	-48.34
COCCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561052	0	40	-1.0	-51.75	359.09	-0.94	-52.69
CC(C)COC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561053	0	47	-1.0	-50.85	380.39	2.83	-48.02
CC(=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025561054	0	43	-1.0	-47.93	363.76	3.53	-44.40
CC(=O)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025561055	0	41	-1.0	-48.57	356.42	2.71	-45.86
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CCCCC1	REAL300025561056	0	43	-1.0	-45.56	352.24	5.34	-40.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1CC1	REAL300025561057	0	38	-1.0	-51.63	324.16	4.60	-47.03
CC1=CC=CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025561058	0	36	-1.0	-45.23	322.06	1.90	-43.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1I	REAL300025561059	0	27	-1.0	-43.37	271.45	2.68	-40.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025561060	0	33	-1.0	-47.87	318.72	2.57	-45.30
CC(C)(C)C1=NOC(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025561061	0	44	-1.0	-56.45	372.72	3.31	-53.14
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300025561062	0	39	-2.0	-114.49	351.94	-1.18	-115.67
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C2=NC=CC=N2)=N1	REAL300025561062	1	40	-1.0	-59.61	354.32	-0.00	-59.61
CCC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C)N=C21	REAL300025561063	0	44	-1.0	-48.64	367.80	3.43	-45.21
O=C(CC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561064	0	30	-1.0	-47.09	289.22	2.83	-44.26
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)O1	REAL300025561065	0	36	-1.0	-56.12	327.26	-0.66	-56.78
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025561066	0	41	-1.0	-46.10	340.22	3.12	-42.98
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561067	0	33	-1.0	-45.22	321.25	3.99	-41.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300025561068	0	40	-1.0	-45.81	352.18	2.25	-43.56
CCC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561069	0	50	-1.0	-56.23	390.42	6.04	-50.19
O=C(CC1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561070	0	39	-1.0	-50.77	370.64	4.18	-46.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=NC=CC=N2)S1	REAL300025561071	0	31	-1.0	-50.02	301.94	-0.18	-50.20
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1C(C)C	REAL300025561072	0	45	-1.0	-51.84	377.46	5.26	-46.58
CCN1C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561073	0	31	-1.0	-43.83	291.69	2.48	-41.35
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=N1	REAL300025561074	0	36	-1.0	-46.57	337.85	2.08	-44.49
O=C(C=CC1=CC=C(OC2=CC=CN=C2)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561075	0	41	-1.0	-49.82	369.00	3.91	-45.91
CC1=CC=C(CCC(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561076	0	43	-1.0	-45.48	369.70	2.19	-43.29
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL300025561077	0	42	-1.0	-52.52	347.30	0.40	-52.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL300025561078	0	37	-1.0	-49.43	330.13	1.92	-47.51
CC(C)OC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025561079	0	43	-1.0	-45.22	379.75	3.21	-42.01
N#CC1=CC=CC(OCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)OC=C2)=C1	REAL300025561080	0	39	-1.0	-45.11	356.83	3.29	-41.82
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CSC=C2)O1	REAL300025561081	0	36	-1.0	-53.34	335.95	0.27	-53.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300025561082	0	38	-1.0	-47.01	348.67	4.92	-42.09
COC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025561083	0	41	-1.0	-48.04	337.92	3.14	-44.90
CC1=NN(CCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1[N+](=O)[O-]	REAL300025561084	0	38	-1.0	-46.66	342.78	1.99	-44.67
COC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561085	0	38	-1.0	-46.90	323.77	2.82	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300025561086	0	37	-1.0	-51.81	335.07	3.35	-48.46
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025561087	0	33	-1.0	-53.76	316.72	-0.43	-54.19
O=C(NCCC1=NC(=O)O[N-]1)C(OC1CCCC1)C1=CC=CC=C1	REAL300025561088	0	44	-1.0	-48.50	366.54	5.39	-43.11
CC(C)(C)C1=CC=C(CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561089	0	51	-1.0	-46.00	408.52	6.91	-39.09
CCCCCCCCCC=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561090	0	48	-1.0	-45.29	393.07	6.07	-39.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300025561091	0	36	-1.0	-45.88	336.61	1.01	-44.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL300025561092	0	37	-1.0	-44.09	314.63	0.20	-43.89
COC1=CC=C(CN2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025561093	0	45	-1.0	-50.50	381.71	2.41	-48.09
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C([N+](=O)[O-])C=N1	REAL300025561094	0	35	-1.0	-54.31	312.78	1.61	-52.70
CCC(CC)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025561095	0	42	-1.0	-46.72	341.92	4.45	-42.27
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561096	0	40	-1.0	-47.83	348.89	-0.42	-48.25
CC(NC(=O)C1=NNC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561096	1	40	-1.0	-49.77	350.70	-0.45	-50.22
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CS1	REAL300025561097	0	39	-1.0	-60.34	353.34	1.03	-59.31
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NCC#N	REAL300025561098	0	39	-1.0	-56.43	355.77	-0.93	-57.36
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)NCCC1=NC(=O)O[N-]1	REAL300025561099	0	40	-1.0	-57.41	351.46	-0.63	-58.04
O=C(CCNC(=O)C1=NNC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025561099	1	40	-1.0	-56.63	353.27	-0.66	-57.29
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025561100	0	32	-1.0	-49.04	331.01	-2.46	-51.50
CC(NC(=O)CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561101	0	46	-1.0	-44.44	366.29	1.83	-42.61
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCCC2)=N1	REAL300025561102	0	43	-1.0	-50.43	349.53	3.10	-47.33
O=C(CCC1CCCC1)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561103	0	43	-1.0	-44.57	352.59	1.11	-43.46
CC1=CC(C(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025561104	0	46	-1.0	-59.44	381.47	4.91	-54.53
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561105	0	37	-1.0	-49.19	322.37	3.29	-45.90
CC(C)(C)N1C=CN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561106	0	40	-1.0	-47.07	342.58	2.82	-44.25
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025561107	0	36	-1.0	-45.31	319.86	3.75	-41.56
CS(=O)(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025561108	0	39	-1.0	-54.24	354.72	0.33	-53.91
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561109	0	38	-1.0	-55.13	321.88	2.42	-52.71
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300025561110	0	40	-1.0	-51.71	350.38	4.50	-47.21
CC(C)(C)C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025561111	0	38	-1.0	-48.92	334.67	1.71	-47.21
CC1(C)CC2=C(SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C2=CC=CC=C21	REAL300025561112	0	44	-1.0	-45.48	372.43	6.19	-39.29
COCCOCC(=O)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561113	0	51	-1.0	-52.53	413.07	0.92	-51.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL300025561114	0	36	-1.0	-46.83	340.22	3.24	-43.59
O=C(CN1C2=CC=CC=C2CCCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025561115	0	41	-1.0	-52.51	338.13	3.58	-48.93
O=C(CN1C=C([N+](=O)[O-])C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025561116	0	32	-1.0	-53.72	300.30	1.47	-52.25
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=N1	REAL300025561117	0	36	-1.0	-44.63	333.65	1.95	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300025561118	0	42	-1.0	-46.72	353.39	3.62	-43.10
CCCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025561119	0	42	-1.0	-52.81	377.13	5.08	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1	REAL300025561120	0	40	-1.0	-53.45	366.88	5.23	-48.22
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025561121	0	39	-1.0	-52.48	369.34	4.52	-47.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300025561122	0	34	-1.0	-47.87	328.89	1.90	-45.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)O1	REAL300025561123	0	34	-1.0	-47.78	333.51	2.00	-45.78
CC1=NSC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025561124	0	31	-1.0	-44.97	290.51	0.37	-44.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCOC2=C1	REAL300025561125	0	33	-1.0	-46.44	308.09	1.37	-45.07
COC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561126	0	31	-1.0	-48.05	291.91	2.72	-45.33
O=C(CNC(=O)CC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561127	0	43	-1.0	-44.48	346.73	0.98	-43.50
CS(=O)(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025561128	0	36	-1.0	-43.90	304.82	-1.23	-45.13
COC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(F)(F)F	REAL300025561129	0	44	-1.0	-49.75	389.50	3.61	-46.14
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561130	0	37	-1.0	-44.52	351.28	5.39	-39.13
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025561131	0	37	-1.0	-41.77	330.28	4.29	-37.48
CC(C)OC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561132	0	40	-1.0	-48.71	336.02	3.13	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=N1	REAL300025561133	0	32	-1.0	-46.42	293.87	2.11	-44.31
CC1=CC=CN2C=C(CC(=O)NCCC3=NC(=O)O[N-]3)N=C12	REAL300025561134	0	36	-1.0	-58.44	315.26	3.43	-55.01
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)NCCC1=NC(=O)O[N-]1	REAL300025561135	0	33	-1.0	-56.46	327.52	3.79	-52.67
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025561136	0	43	-1.0	-45.54	342.94	5.50	-40.04
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561137	0	35	-1.0	-48.44	303.36	0.67	-47.77
CC(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025561138	0	46	-1.0	-45.38	370.93	5.75	-39.63
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1C(=O)NCC1=CC=C(F)C=C1	REAL300025561139	0	42	-1.0	-56.23	379.74	1.15	-55.08
CN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CS1	REAL300025561140	0	37	-1.0	-49.04	351.53	3.54	-45.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300025561141	0	40	-1.0	-49.09	350.06	6.19	-42.90
COC1=CC=C(CCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561142	0	46	-1.0	-49.08	383.33	4.67	-44.41
CN(C)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561143	0	37	-1.0	-52.03	314.90	1.40	-50.63
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561144	0	49	-1.0	-42.81	382.74	1.62	-41.19
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025561145	0	36	-1.0	-53.67	330.93	-1.08	-54.75
CCCC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561146	0	38	-1.0	-53.94	328.16	2.31	-51.63
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561147	0	37	-1.0	-45.17	335.33	2.82	-42.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL300025561148	0	37	-1.0	-44.66	323.95	0.79	-43.87
CC(C)C(SCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561149	0	43	-1.0	-48.25	363.56	5.80	-42.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300025561150	0	35	-1.0	-46.96	313.68	2.48	-44.48
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561151	0	47	-1.0	-46.59	384.06	5.24	-41.35
O=C(COC1=CC=CC=C1OCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561152	0	38	-1.0	-56.97	347.52	3.24	-53.73
CC(C)(C)C(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561153	0	41	-1.0	-53.36	335.77	2.23	-51.13
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCS(=O)(=O)CC1	REAL300025561154	0	45	-1.0	-50.95	376.59	-0.48	-51.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300025561155	0	47	-1.0	-49.48	388.83	3.25	-46.23
CCCCCS(=O)(=O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561156	0	38	-1.0	-62.20	335.41	-0.52	-62.72
CCCCC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561157	0	41	-1.0	-54.22	349.66	3.09	-51.13
CCC=C(C)C(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561158	0	42	-1.0	-55.49	346.15	3.19	-52.30
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025561159	0	39	-1.0	-48.68	337.62	4.16	-44.52
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561160	0	47	-1.0	-50.71	391.01	7.11	-43.60
CN1N=C(Br)C2=C1N=CN(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025561161	0	35	-1.0	-59.73	337.99	1.92	-57.81
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)C1CCCCC1	REAL300025561162	0	46	-1.0	-53.23	369.55	2.06	-51.17
O=C(CCC1=CC=CC=C1OC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561163	0	37	-1.0	-46.44	334.15	2.88	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL300025561164	0	32	-1.0	-46.54	306.46	0.76	-45.78
CC(C)OC1=CC=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561165	0	41	-1.0	-48.31	347.09	3.58	-44.73
CC1=CC=CC=C1C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025561166	0	36	-1.0	-44.73	330.57	3.09	-41.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300025561167	0	33	-1.0	-45.78	320.89	2.64	-43.14
CC(C)(C)C1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561168	0	48	-1.0	-47.55	387.03	6.13	-41.42
CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561169	0	40	-1.0	-45.02	331.86	-0.74	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1Cl	REAL300025561170	0	27	-1.0	-45.34	283.60	3.14	-42.20
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561171	0	34	-1.0	-47.14	327.75	3.72	-43.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=N1	REAL300025561172	0	26	-1.0	-42.24	261.84	0.43	-41.81
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300025561173	0	37	-1.0	-49.56	333.40	4.25	-45.31
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025561174	0	36	-1.0	-55.03	323.46	2.95	-52.08
NS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561175	0	35	-1.0	-55.42	322.17	-2.83	-58.25
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561176	0	45	0.0	-60.72	342.90	4.46	-56.26
CCN(CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561176	1	44	-1.0	-46.79	345.92	2.20	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C1NC2=CC=CC=C2S(=O)(=O)N1	REAL300025561177	0	35	-1.0	-59.32	314.33	-4.29	-63.61
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561178	0	45	-1.0	-50.43	389.01	3.51	-46.92
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1COCC(=O)N1CC1=CC=CC=C1	REAL300025561179	0	42	-1.0	-49.15	354.45	1.30	-47.85
O=C(NCCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561180	0	40	-1.0	-41.96	349.59	1.46	-40.50
CCCN(CCC)C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561181	0	45	-1.0	-45.32	370.08	2.95	-42.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=NNC=N2)=N1	REAL300025561182	0	32	-1.0	-50.20	304.15	0.16	-50.04
CC(C)(C)CC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561183	0	44	-1.0	-52.50	359.86	3.21	-49.29
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025561184	0	39	-1.0	-54.81	319.35	-3.11	-57.92
O=C(CNC(=O)NCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561185	0	39	-1.0	-45.70	359.57	-0.07	-45.77
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL300025561186	0	34	-1.0	-44.84	312.90	3.98	-40.86
N#CC1=CC=C(OCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025561187	0	39	-1.0	-48.72	360.14	3.38	-45.34
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025561188	0	30	-1.0	-46.79	288.60	3.16	-43.63
COC1=CC=CC=C1C(C)=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561189	0	38	-1.0	-46.57	326.88	2.88	-43.69
COC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025561190	0	48	-1.0	-46.46	410.59	3.41	-43.05
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)C1CCCC1	REAL300025561191	0	43	-1.0	-53.27	351.42	1.39	-51.88
CC(SC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561192	0	35	-1.0	-48.11	325.82	3.53	-44.58
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC(C)C)=N1	REAL300025561193	0	38	-1.0	-43.74	330.56	2.22	-41.52
CC1(C)CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025561194	0	43	-1.0	-45.94	338.38	4.85	-41.09
O=C(CC1=CNC2=CC(Cl)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025561195	0	34	-1.0	-49.77	316.55	2.78	-46.99
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561196	0	37	-1.0	-54.78	331.77	3.74	-51.04
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)CC1	REAL300025561197	0	44	-1.0	-44.97	354.69	2.81	-42.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL300025561198	0	38	-1.0	-45.28	317.05	1.46	-43.82
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)OCC(F)(F)F	REAL300025561199	0	38	-1.0	-53.09	343.83	1.24	-51.85
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025561200	0	39	-1.0	-49.34	328.33	1.92	-47.42
CC(C)CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561201	0	46	-1.0	-44.73	384.02	3.16	-41.57
O=C(CSCC1CCCCO1)NCCC1=NC(=O)O[N-]1	REAL300025561202	0	38	-1.0	-49.75	327.14	1.72	-48.03
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025561203	0	40	-1.0	-46.48	344.49	2.03	-44.45
CCCS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561204	0	41	-1.0	-50.22	359.67	-0.06	-50.28
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300025561205	0	42	-1.0	-49.06	370.82	5.88	-43.18
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561206	0	39	-1.0	-58.98	334.22	0.26	-58.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561206	1	38	-2.0	-110.21	331.31	-0.58	-110.79
O=C(COCC(=O)NCC1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025561207	0	40	-1.0	-62.11	357.38	0.05	-62.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCOCC2)=C1	REAL300025561208	0	43	-1.0	-48.63	351.28	0.44	-48.19
CC[N@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561209	0	42	0.0	-58.56	335.95	4.08	-54.48
CC[N@@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561209	1	42	0.0	-58.13	336.89	4.07	-54.06
CCN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561209	1	41	-1.0	-46.20	336.81	2.17	-44.03
O=C(CC1=CSC(C2=NNC=N2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561210	0	32	-1.0	-60.91	308.39	0.27	-60.64
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)OC	REAL300025561211	0	44	-1.0	-54.99	380.14	3.13	-51.86
CC(=O)NCC(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561212	0	41	-1.0	-56.24	347.75	-0.70	-56.94
N#CC1=CC=C(OC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025561213	0	39	-1.0	-50.24	352.85	4.79	-45.45
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561214	0	40	-1.0	-45.64	355.78	3.75	-41.89
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=C2C=CSC2=NC=N1	REAL300025561215	0	40	-1.0	-52.92	347.70	2.68	-50.24
CC(C)COC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561216	0	39	-1.0	-51.69	331.79	1.90	-49.79
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561217	0	43	-1.0	-45.90	362.73	3.36	-42.54
N#CC1=CC=C(N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561218	0	40	-1.0	-50.28	345.78	2.78	-47.50
CC1=CC2=NC(C3=CC=CC=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1C	REAL300025561219	0	48	-1.0	-47.83	394.34	6.76	-41.07
CC1CC2=CC=CC=C2N1C(=O)C1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561220	0	54	-1.0	-59.26	405.17	6.77	-52.49
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561221	0	47	-1.0	-44.18	367.40	-0.36	-44.54
CCCN(CCC)C(=O)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561222	0	48	-1.0	-57.12	391.58	3.73	-53.39
COC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561223	0	35	-1.0	-56.82	310.23	-0.24	-57.06
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300025561224	0	38	-2.0	-94.83	344.90	-4.82	-99.65
O=C(CCC(=O)NC1=NN=C(C2CC2)O1)NCCC1=NC(=O)O[N-]1	REAL300025561224	1	39	-1.0	-52.31	348.20	-3.11	-55.42
CN1CCN(C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025561225	0	47	-1.0	-46.21	377.14	0.73	-45.48
C[NH+]1CCN(C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025561225	1	48	0.0	-63.38	376.92	3.25	-60.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NNC=N2)C=C1	REAL300025561226	0	37	-1.0	-52.96	343.06	3.63	-49.33
COC1=CC=CC=C1C(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561227	0	40	-1.0	-47.98	330.67	2.84	-45.14
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561228	0	44	-1.0	-51.45	379.32	3.92	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C3OCOC3=C2)S1	REAL300025561229	0	36	-1.0	-47.91	336.12	1.12	-46.79
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561230	0	41	-2.0	-102.35	367.49	-2.49	-104.84
N#CCCN(C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561231	0	44	-1.0	-50.91	385.29	4.34	-46.57
O=C(CSC1=NN=C(C2=CC=CS2)N1C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025561232	0	41	-1.0	-49.52	375.38	4.64	-44.88
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561233	0	36	-1.0	-44.64	318.05	3.63	-41.01
CCOC1=CC=CC=C1C(CC(=O)NCCC1=NC(=O)O[N-]1)NC(C)=O	REAL300025561234	0	47	-1.0	-46.26	387.17	1.60	-44.66
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025561235	0	36	-1.0	-52.74	348.36	3.95	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CN=CC=N2)=N1	REAL300025561236	0	31	-1.0	-48.56	300.90	-1.38	-49.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1	REAL300025561237	0	41	-1.0	-55.19	359.63	3.66	-51.53
O=C(CC(C1=CC=CC=C1)N1CCOC1=O)NCCC1=NC(=O)O[N-]1	REAL300025561238	0	42	-1.0	-61.30	352.43	3.12	-58.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=CO2)SC=C1	REAL300025561239	0	35	-1.0	-48.25	326.20	0.88	-47.37
O=CC1=CC=CC(OCC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561240	0	43	-1.0	-50.87	370.65	4.66	-46.21
O=C(CCN1CCN(C(=O)C2CCCO2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561241	0	50	-1.0	-55.86	393.85	0.19	-55.67
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561241	1	51	0.0	-84.73	395.59	2.34	-82.39
NC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025561242	0	38	-1.0	-47.38	337.91	-0.75	-48.13
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025561243	0	52	0.0	-62.99	401.76	6.42	-56.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025561244	0	35	-1.0	-53.17	318.19	1.29	-51.88
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300025561245	0	41	-1.0	-52.82	358.36	2.34	-50.48
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025561246	0	39	-1.0	-44.89	353.59	2.91	-41.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C2OCCOC2=C1	REAL300025561247	0	42	-1.0	-46.79	361.70	0.86	-45.93
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025561248	0	42	-1.0	-43.77	375.42	3.70	-40.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1	REAL300025561249	0	37	-1.0	-47.31	346.65	2.41	-44.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)NC1=O	REAL300025561250	0	37	-1.0	-50.98	308.33	1.17	-49.81
O=C(CC1=COC(C2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561251	0	33	-1.0	-56.19	314.77	-0.24	-56.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL300025561252	0	37	-1.0	-47.31	329.97	5.47	-41.84
CCCC(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561253	0	43	-1.0	-57.83	341.68	3.34	-54.49
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025561254	0	42	-1.0	-58.57	348.00	1.23	-57.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025561255	0	34	-2.0	-92.78	330.90	-0.80	-93.58
O=C(CC1(CC(=O)NC2=NC=CS2)CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561256	0	49	-1.0	-45.59	388.04	3.26	-42.33
O=C(CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025561256	1	48	-2.0	-92.15	384.75	2.13	-90.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=NC=C1	REAL300025561257	0	44	-1.0	-48.16	355.79	1.30	-46.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300025561257	1	45	0.0	-64.26	357.21	3.34	-60.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300025561257	1	45	0.0	-64.43	347.73	3.22	-61.21
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1F)C1=CC=CC=C1	REAL300025561258	0	41	-1.0	-52.34	366.71	6.03	-46.31
O=C(C=CC1=CC=CC=C1OCC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561259	0	51	-1.0	-50.14	411.29	6.41	-43.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1	REAL300025561260	0	35	-1.0	-50.53	328.86	1.91	-48.62
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561261	0	42	-1.0	-55.73	354.55	0.55	-55.18
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300025561262	0	41	-1.0	-45.92	371.65	6.02	-39.90
O=C(CCCCCC1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025561263	0	39	-1.0	-47.43	344.05	4.46	-42.97
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300025561264	0	41	-1.0	-49.94	371.13	6.01	-43.93
CC1=CC=C(SC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C(C)=C1	REAL300025561265	0	47	-1.0	-48.43	398.85	7.14	-41.29
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1Cl)C1=CC=CC=C1	REAL300025561266	0	41	-1.0	-50.57	375.95	6.44	-44.13
CCC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025561267	0	42	-1.0	-52.93	374.46	4.62	-48.31
CC(C)COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025561268	0	50	-1.0	-45.68	403.67	5.54	-40.14
CC1=CC=CC(COC2=CC=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025561269	0	47	-1.0	-50.31	400.61	6.16	-44.15
CC1=CC=CC=C1COC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561270	0	47	-1.0	-50.46	395.37	6.18	-44.28
O=C(CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561271	0	44	-1.0	-49.42	395.94	6.02	-43.40
O=C(CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561272	0	44	-1.0	-49.47	392.36	6.08	-43.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)C=C1F	REAL300025561273	0	37	-1.0	-51.53	328.33	5.09	-46.44
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561274	0	43	-1.0	-44.36	345.49	-0.22	-44.58
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561275	0	51	-1.0	-53.29	405.39	5.14	-48.15
CC(C)(C)OC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561276	0	47	-1.0	-45.25	391.20	2.57	-42.68
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561277	0	46	-1.0	-44.19	367.01	0.53	-43.66
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561278	0	42	-1.0	-51.93	353.81	2.30	-49.63
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025561279	0	47	-1.0	-50.48	369.69	1.06	-49.42
CC(C)(C)OC(=O)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561280	0	50	-1.0	-48.07	390.28	2.11	-45.96
CC(C)N(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025561281	0	49	-1.0	-48.28	389.38	3.21	-45.07
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561282	0	47	-1.0	-45.23	391.21	2.57	-42.66
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561283	0	50	-1.0	-45.00	396.52	2.37	-42.63
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561284	0	47	-1.0	-44.27	390.22	1.02	-43.25
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561285	0	46	-1.0	-43.49	364.22	0.58	-42.91
CCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561286	0	46	-1.0	-44.21	367.02	0.53	-43.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL300025561287	0	33	-1.0	-50.90	304.05	1.20	-49.70
COC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1SC	REAL300025561288	0	37	-1.0	-53.02	336.34	3.60	-49.42
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025561289	0	40	-1.0	-51.87	333.32	1.24	-50.63
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561290	0	49	-1.0	-44.15	377.64	1.71	-42.44
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561291	0	41	-1.0	-51.70	357.82	3.12	-48.58
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CN2C(=O)CC3=CC=CC=C32)C=CO1	REAL300025561292	0	42	-1.0	-50.96	368.74	4.22	-46.74
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL300025561293	0	46	-1.0	-45.89	360.84	3.08	-42.81
CCCN(CCC)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561294	0	49	-1.0	-56.23	398.73	4.78	-51.45
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1CCCCC1	REAL300025561295	0	48	-1.0	-60.10	374.18	2.48	-57.62
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=CC1=O	REAL300025561296	0	36	-1.0	-58.87	326.44	3.97	-54.90
COC(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561297	0	39	-1.0	-48.26	344.14	3.69	-44.57
O=C(CC1OCCC2=C1SC=C2)NCCC1=NC(=O)O[N-]1	REAL300025561298	0	35	-1.0	-47.45	309.64	2.27	-45.18
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025561299	0	44	-1.0	-44.78	383.57	1.41	-43.37
CC(C)C(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561300	0	42	-1.0	-45.29	332.02	4.30	-40.99
COCCN1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C(C)=C1C	REAL300025561301	0	47	-1.0	-49.80	391.79	4.33	-45.47
CN(C)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561302	0	37	-1.0	-57.90	315.47	1.39	-56.51
N#CC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561303	0	32	-1.0	-49.27	307.29	3.07	-46.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CSC1=NNC=N1	REAL300025561304	0	37	-1.0	-55.70	335.97	3.62	-52.08
O=CC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561305	0	36	-1.0	-47.94	320.90	1.59	-46.35
O=CC1=CC=CC(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561306	0	36	-1.0	-50.02	321.06	1.57	-48.45
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NS(=O)(=O)C1=CC=CN=C1Cl	REAL300025561307	0	40	-1.0	-58.87	368.72	-1.95	-60.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025561308	0	35	-2.0	-92.79	329.30	1.12	-91.67
COC(=O)NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561309	0	35	-1.0	-47.72	304.67	0.20	-47.52
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561310	0	53	0.0	-59.14	407.69	6.78	-52.36
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561310	1	53	0.0	-57.16	400.51	6.51	-50.65
C[NH+](C)CCN1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025561311	0	43	0.0	-68.04	350.28	1.40	-66.64
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=CO1)NC(=O)C1=CC=CC=C1	REAL300025561312	0	42	-1.0	-61.85	369.86	4.31	-57.54
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1S(N)(=O)=O	REAL300025561313	0	35	-1.0	-50.56	312.87	-2.75	-53.31
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300025561314	0	47	-1.0	-47.11	372.69	0.93	-46.18
COC1=CC=CC(SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561315	0	35	-1.0	-50.06	315.94	1.98	-48.08
CC[N@@H+]1CCCC1CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025561316	0	50	0.0	-68.71	394.35	3.14	-65.57
CC[N@H+]1CCCC1CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025561316	1	50	0.0	-66.74	385.05	2.74	-64.00
CCN(CC)S(=O)(=O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561317	0	37	-1.0	-56.77	324.73	-1.74	-58.51
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=CN=C1)NC(=O)C1=CC=CC=C1	REAL300025561318	0	44	-1.0	-58.46	377.60	4.91	-53.55
CCS(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561319	0	36	-1.0	-54.15	329.99	0.04	-54.11
O=C(CSC1=NN=NN1CC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561320	0	32	-1.0	-47.71	321.83	0.08	-47.63
CC(C)C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025561321	0	33	-1.0	-44.18	307.15	0.51	-43.67
CC(=O)NCCNC(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561322	0	40	-1.0	-51.57	349.83	-3.27	-54.84
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561323	0	51	0.0	-71.72	397.80	4.10	-67.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CN=C1	REAL300025561324	0	44	-1.0	-46.94	355.43	1.19	-45.75
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300025561324	1	45	0.0	-61.31	357.06	3.25	-58.06
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300025561324	1	45	0.0	-61.94	347.64	3.19	-58.75
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561325	0	49	0.0	-60.12	383.55	5.78	-54.34
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561325	1	49	0.0	-60.27	374.17	5.63	-54.64
CC1=CC=CC(CN2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561325	1	48	-1.0	-48.03	381.97	3.70	-44.33
O=C(CCC1=NC2=CC=CNC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025561326	0	35	-1.0	-63.62	309.44	1.21	-62.41
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025561327	0	36	-1.0	-53.80	346.59	1.23	-52.57
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025561328	0	36	-1.0	-52.13	318.48	3.04	-49.09
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561329	0	36	-1.0	-51.95	337.97	0.48	-51.47
COCCC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561330	0	47	-1.0	-50.25	395.86	3.12	-47.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Br)=C1	REAL300025561331	0	37	-1.0	-46.61	340.48	3.72	-42.89
O=C(CN1CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025561332	0	35	-1.0	-57.12	311.74	2.00	-55.12
O=C(CNC(=O)OCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561333	0	31	-1.0	-45.32	298.86	-2.29	-47.61
CCC1=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025561334	0	40	-1.0	-50.74	342.75	3.69	-47.05
O=CC1=CC=CC(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025561335	0	43	-1.0	-56.37	377.84	4.53	-51.84
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(COC2=CC=C(C=O)C=C2)=C1	REAL300025561336	0	43	-1.0	-50.95	380.31	3.40	-47.55
O=CC1=CC=C(OCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CO2)C=C1	REAL300025561337	0	40	-1.0	-52.64	357.94	2.68	-49.96
COC1=CC(C=O)=C([N+](=O)[O-])C=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561338	0	39	-1.0	-59.34	353.83	3.34	-56.00
O=CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025561339	0	35	-1.0	-61.40	325.89	3.02	-58.38
O=CC1=CC=C(OC(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561340	0	33	-1.0	-46.45	309.22	1.99	-44.46
CCCC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025561341	0	35	-1.0	-49.20	319.92	0.93	-48.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CN=C1	REAL300025561342	0	33	-1.0	-54.59	294.05	-0.27	-54.86
CN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025561343	0	38	-1.0	-44.38	335.72	1.76	-42.62
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025561343	1	39	0.0	-61.23	334.89	3.95	-57.28
COC1=CC=C(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025561344	0	41	-1.0	-49.04	359.27	2.46	-46.58
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(S(=O)(=O)NC2CC2)=C1F	REAL300025561345	0	39	-1.0	-52.80	367.68	-0.67	-53.47
CC1OC2=C(C=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)NC1=O	REAL300025561346	0	36	-1.0	-52.58	312.28	0.69	-51.89
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N2N=CC=C2N1	REAL300025561347	0	36	-1.0	-67.18	316.80	0.49	-66.69
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C(C)=C1	REAL300025561348	0	47	-1.0	-49.32	385.09	6.02	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C(OC1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300025561349	0	41	-1.0	-47.62	366.79	5.84	-41.78
CCC1=CC=CC=C1OC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561350	0	47	-1.0	-49.81	395.78	7.19	-42.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300025561351	0	41	-1.0	-50.30	371.29	5.34	-44.96
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1CC1	REAL300025561352	0	41	-1.0	-47.56	341.20	4.54	-43.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC=N2)C=C1	REAL300025561353	0	32	-1.0	-50.27	293.52	0.13	-50.14
O=C(CC1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561354	0	33	-1.0	-47.77	296.95	2.88	-44.89
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561355	0	41	-1.0	-51.66	352.91	2.26	-49.40
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561356	0	36	-1.0	-53.68	340.46	1.35	-52.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1	REAL300025561357	0	38	-1.0	-47.57	352.60	3.80	-43.77
CCCS(=O)(=O)C1=CC=CC=C1SC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561358	0	46	-1.0	-57.38	401.18	2.24	-55.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C(F)=C1	REAL300025561359	0	39	-1.0	-44.69	323.50	1.93	-42.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300025561360	0	40	-1.0	-44.52	337.12	0.67	-43.85
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561361	0	40	-1.0	-53.29	346.61	0.63	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300025561362	0	38	-1.0	-44.93	359.34	4.03	-40.90
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025561363	0	45	-1.0	-55.69	387.86	5.84	-49.85
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL300025561364	0	46	-1.0	-46.85	372.08	3.43	-43.42
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C(F)=C1	REAL300025561365	0	44	-1.0	-53.30	373.33	5.26	-48.04
CCN(CC)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561366	0	43	-1.0	-51.13	354.27	3.29	-47.84
CCN(C)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561367	0	40	-1.0	-59.38	335.43	2.37	-57.01
CCCN(CC)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561368	0	46	-1.0	-51.14	375.77	4.05	-47.09
CC(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025561369	0	39	-1.0	-55.74	345.86	1.88	-53.86
COC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C(F)=C1	REAL300025561370	0	41	-1.0	-50.57	362.63	4.55	-46.02
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561371	0	36	-1.0	-44.24	328.69	4.24	-40.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300025561372	0	34	-1.0	-48.16	336.58	3.67	-44.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=C3CCCC3=C2)SC=C1	REAL300025561373	0	45	-1.0	-46.41	387.54	4.77	-41.64
O=C(NCCC1=NC(=O)O[N-]1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300025561374	0	31	-2.0	-95.10	287.31	1.28	-93.82
CC1CCCN(S(=O)(=O)C2=CN(C)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025561375	0	49	-1.0	-49.04	408.91	1.49	-47.55
CN(C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1)C1=CC=CC=C1	REAL300025561376	0	44	-1.0	-59.29	365.61	4.55	-54.74
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C(NC(=O)N(C3=CC=CC=C3)C2=O)O1	REAL300025561377	0	43	-1.0	-55.25	386.64	1.77	-53.48
O=C(NCCC1=NC(=O)O[N-]1)C1CSCN1C(=O)C1=CC=C(Cl)C=C1	REAL300025561378	0	39	-1.0	-53.38	353.39	2.87	-50.51
O=C(CNC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561379	0	35	-1.0	-47.07	319.87	1.52	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1=C(OC(F)F)C=CS1	REAL300025561380	0	28	-1.0	-49.34	273.33	1.11	-48.23
O=C(CC1=CC=CC(OC(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561381	0	34	-1.0	-50.54	307.19	1.80	-48.74
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C=C1C	REAL300025561382	0	43	-1.0	-51.06	360.30	6.22	-44.84
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561383	0	45	-1.0	-54.76	391.45	2.49	-52.27
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C3OCCOC3=C2)C1=O	REAL300025561384	0	44	-1.0	-53.73	364.69	1.82	-51.91
COC1=CC=C(NC(=O)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561385	0	35	-1.0	-42.43	309.98	-0.92	-43.35
CC(C)(C)OC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025561386	0	44	-1.0	-52.11	371.01	1.91	-50.20
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)NCCC1=NC(=O)O[N-]1	REAL300025561387	0	43	-1.0	-46.38	358.46	2.01	-44.37
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)NCCC1=NC(=O)O[N-]1	REAL300025561388	0	46	-1.0	-56.46	380.59	2.64	-53.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)C(F)F)N=C1	REAL300025561389	0	36	-1.0	-47.70	336.43	0.61	-47.09
O=C(NCCC1=NC(=O)O[N-]1)C(OC1=CC=C(F)C(Cl)=C1)C1=CC=CC=C1	REAL300025561390	0	41	-1.0	-47.28	376.67	6.29	-40.99
CC(C)C1=CC=CC(OC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)=C1	REAL300025561391	0	50	-1.0	-50.37	414.30	7.64	-42.73
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300025561392	0	48	-1.0	-55.59	405.23	2.13	-53.46
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300025561393	0	44	-1.0	-48.19	372.50	4.43	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=CC=C2Cl)SC=C1	REAL300025561394	0	38	-1.0	-46.39	354.51	3.38	-43.01
CN1C=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=N1	REAL300025561395	0	33	-1.0	-47.74	314.93	0.25	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300025561396	0	35	-1.0	-54.98	322.31	3.08	-51.90
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300025561397	0	38	-1.0	-54.58	328.99	2.57	-52.01
O=C(CN1N=CC2=C1N=CNC2=O)NCCC1=NC(=O)O[N-]1	REAL300025561398	0	32	-1.0	-59.54	296.41	-0.49	-60.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1	REAL300025561399	0	35	-1.0	-45.01	335.13	1.27	-43.74
CCS(=O)(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561400	0	41	-1.0	-61.28	372.47	-1.80	-63.08
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561401	0	45	-1.0	-51.40	375.65	1.84	-49.56
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300025561402	0	44	-1.0	-52.84	377.40	1.63	-51.21
CN(C)C1=NC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561403	0	34	-1.0	-44.51	314.79	1.74	-42.77
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300025561404	0	34	-1.0	-48.06	326.83	4.49	-43.57
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)C=C1	REAL300025561405	0	34	-1.0	-45.91	325.98	3.32	-42.59
CC(C)COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561406	0	43	-1.0	-48.14	360.89	3.94	-44.20
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C2C1	REAL300025561407	0	42	-1.0	-47.44	336.12	2.06	-45.38
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025561407	1	43	0.0	-62.96	338.53	4.52	-58.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025561407	1	43	0.0	-63.00	338.54	4.52	-58.48
CC1=CC(Cl)=CC=C1OC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561408	0	44	-1.0	-48.23	390.87	6.95	-41.28
CS(=O)(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561409	0	38	-1.0	-54.74	345.23	-1.17	-55.91
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561410	0	47	-1.0	-54.31	367.42	3.01	-51.30
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561411	0	47	-1.0	-54.30	367.41	3.01	-51.29
CCC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025561412	0	47	-1.0	-49.02	394.69	5.97	-43.05
COC1=CC=CC=C1CC(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561413	0	43	-1.0	-48.11	347.92	3.75	-44.36
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Cl)CCOCC1	REAL300025561414	0	41	-1.0	-47.82	334.89	2.71	-45.11
O=C(CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025561415	0	38	-1.0	-47.13	359.55	3.44	-43.69
O=C(CCC1=NC2=CC(Cl)=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025561416	0	35	-1.0	-46.86	337.79	2.95	-43.91
O=C(NCCC1=NC(=O)O[N-]1)C(OC1=CC=C(F)C=C1Cl)C1=CC=CC=C1	REAL300025561417	0	41	-1.0	-50.64	376.53	6.33	-44.31
CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561418	0	50	-1.0	-49.03	422.99	2.78	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=C2)C=C1	REAL300025561419	0	38	-1.0	-49.17	331.89	5.10	-44.07
CC(C)(C)OC(=O)NC(CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561420	0	53	-1.0	-48.48	434.42	4.24	-44.24
CC1=CC=C(C(=O)NC(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025561421	0	50	-1.0	-54.84	423.89	5.75	-49.09
O=C(CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561422	0	44	-1.0	-49.39	395.93	6.01	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Br)=C2)N=C1	REAL300025561423	0	34	-1.0	-47.40	325.57	3.31	-44.09
CCOC1=CC=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1OC1CCCC1	REAL300025561424	0	52	-1.0	-50.68	428.09	6.02	-44.66
CS(=O)(=O)C1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561425	0	33	-1.0	-52.71	320.25	-0.31	-53.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CO2)S1	REAL300025561426	0	30	-1.0	-45.55	293.49	0.55	-45.00
N#CCN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025561427	0	35	-1.0	-49.05	315.77	3.69	-45.36
CC1=CC(C)=C(C)C(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561428	0	43	-1.0	-46.63	356.96	3.81	-42.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)N=C1	REAL300025561429	0	44	-1.0	-45.19	345.10	2.62	-42.57
O=C(CCC1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025561430	0	30	-1.0	-44.24	301.03	2.74	-41.50
CCC(CC)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025561431	0	42	-1.0	-48.68	357.11	4.90	-43.78
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561432	0	39	-1.0	-50.29	358.12	4.82	-45.47
O=C(CC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025561433	0	30	-1.0	-46.83	285.57	2.69	-44.14
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL300025561434	0	36	-1.0	-47.67	306.36	3.43	-44.24
CC1=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025561435	0	37	-1.0	-51.03	315.01	2.72	-48.31
CCOC1=CC2=C(C=C1C1CC1C(=O)NCCC1=NC(=O)O[N-]1)OC(C)C2	REAL300025561436	0	49	-1.0	-49.89	402.88	4.42	-45.47
COC1=CC=CC=C1CC(C)=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561437	0	41	-1.0	-47.58	345.46	3.74	-43.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL300025561438	0	37	-1.0	-50.94	338.65	5.54	-45.40
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025561439	0	40	-1.0	-50.89	343.33	5.69	-45.20
COC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025561440	0	41	-1.0	-52.41	351.36	4.32	-48.09
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025561441	0	42	-1.0	-48.21	366.00	2.11	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCC(=O)N2	REAL300025561442	0	33	-1.0	-52.97	291.97	0.03	-52.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CC=C21	REAL300025561443	0	33	-1.0	-45.71	306.02	4.43	-41.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C(F)=C1	REAL300025561444	0	27	-1.0	-42.39	276.59	2.68	-39.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300025561445	0	34	-1.0	-54.25	305.96	2.90	-51.35
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Cl	REAL300025561446	0	36	-1.0	-47.05	332.31	2.36	-44.69
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025561447	0	41	-1.0	-46.10	376.38	6.43	-39.67
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC(F)=CC=C1F)C1=CC=CC=C1	REAL300025561448	0	41	-1.0	-48.54	372.08	6.05	-42.49
CC1=CC=C2C(=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025561449	0	33	-1.0	-45.77	316.46	4.10	-41.67
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561450	0	52	-1.0	-49.08	432.97	6.30	-42.78
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025561451	0	43	-1.0	-46.86	378.99	-0.97	-47.83
CN1C(=O)CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025561452	0	44	-1.0	-47.03	352.84	3.40	-43.63
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561453	0	41	-1.0	-58.16	355.20	4.02	-54.14
COC1=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=CC=C1C	REAL300025561454	0	47	-1.0	-45.88	371.00	4.90	-40.98
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCCC3)C=C1	REAL300025561455	0	47	-1.0	-48.35	386.66	5.64	-42.71
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025561456	0	46	-1.0	-45.32	391.32	5.13	-40.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300025561457	0	41	-1.0	-49.41	355.84	2.32	-47.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300025561458	0	40	-1.0	-46.69	356.43	1.29	-45.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1	REAL300025561459	0	38	-1.0	-46.96	345.93	4.57	-42.39
CC(C)(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025561460	0	46	-1.0	-50.87	399.51	5.36	-45.51
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300025561461	0	41	-1.0	-46.86	355.81	2.22	-44.64
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025561462	0	46	-1.0	-44.54	386.40	2.57	-41.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCCOC3=C2)=N1	REAL300025561463	0	39	-1.0	-46.61	355.05	1.51	-45.10
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025561464	0	37	-1.0	-52.10	339.72	3.36	-48.74
COC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025561465	0	44	-1.0	-49.28	352.27	4.10	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL300025561466	0	41	-1.0	-48.93	338.00	3.75	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=N1	REAL300025561467	0	43	-1.0	-46.05	379.84	3.78	-42.27
CC(C)(C)OC(=O)NCCOCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561468	0	44	-1.0	-54.14	368.93	-0.60	-54.74
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL300025561469	0	43	-1.0	-56.00	363.13	2.49	-53.51
CC(OC1=CC=CC=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561470	0	34	-1.0	-51.86	314.71	3.33	-48.53
O=C(CN1N=CN2N=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025561471	0	32	-1.0	-55.31	296.23	0.41	-54.90
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025561472	0	48	-1.0	-50.02	399.12	6.77	-43.25
O=C(CC1CCC2=CC=CC=C2C1)NCCC1=NC(=O)O[N-]1	REAL300025561473	0	40	-1.0	-48.15	326.08	4.62	-43.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1	REAL300025561474	0	43	-1.0	-55.61	375.38	3.96	-51.65
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC=C1	REAL300025561475	0	38	-1.0	-44.75	325.18	3.35	-41.40
O=C(CCCSC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561476	0	37	-1.0	-48.17	350.91	4.87	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC=N1	REAL300025561477	0	33	-1.0	-46.88	299.24	-0.06	-46.94
CC(C)COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561478	0	40	-1.0	-50.99	334.09	4.48	-46.51
O=C(CCCCOC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561479	0	40	-1.0	-46.47	362.09	4.02	-42.45
CCOC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025561480	0	33	-1.0	-44.70	308.32	-0.23	-44.93
CCCC(CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561481	0	48	-1.0	-45.75	363.59	4.98	-40.77
CSCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561482	0	47	-1.0	-45.30	404.85	3.41	-41.89
O=C(CC1CCCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025561483	0	40	-1.0	-45.38	322.19	4.44	-40.94
O=C(CC1CCC(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561484	0	46	-1.0	-46.88	365.01	5.93	-40.95
CCC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561485	0	42	-1.0	-45.92	331.51	4.29	-41.63
CC1(C)CCC(C)(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025561486	0	49	-1.0	-46.41	372.80	5.70	-40.71
CCOC1=CC=C(C(=O)N2CSCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561487	0	46	-1.0	-54.10	387.95	2.59	-51.51
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025561488	0	36	-1.0	-46.44	340.55	3.81	-42.63
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)SC(Br)=C1	REAL300025561489	0	24	-1.0	-43.14	273.93	1.90	-41.24
COC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561490	0	51	-1.0	-45.77	413.10	2.70	-43.07
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561491	0	34	-1.0	-50.92	316.74	3.29	-47.63
O=C(CCCCCNC(=O)NC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561492	0	54	-1.0	-51.71	431.81	2.11	-49.60
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC(Cl)=C1	REAL300025561493	0	41	-1.0	-48.08	361.79	3.41	-44.67
CC(=O)NCC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025561494	0	45	-1.0	-50.83	378.47	0.82	-50.01
COC1=C(OC)C=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025561495	0	39	-1.0	-47.70	335.72	0.70	-47.00
O=C(CC1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025561496	0	27	-1.0	-46.46	279.83	2.06	-44.40
COC1=CC=C(S(=O)(=O)CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561497	0	43	-1.0	-49.83	372.42	0.11	-49.72
COCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561498	0	38	-1.0	-48.83	328.19	1.06	-47.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C([N+](=O)[O-])S1	REAL300025561499	0	40	-1.0	-55.44	362.48	2.46	-52.98
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025561500	0	41	-1.0	-51.70	372.23	2.35	-49.35
NC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561501	0	45	-1.0	-58.07	395.62	-1.39	-59.46
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561502	0	43	-1.0	-48.44	367.21	1.15	-47.29
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C1	REAL300025561503	0	51	-1.0	-50.42	409.92	3.18	-47.24
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025561504	0	38	-1.0	-63.18	351.93	-0.27	-63.45
CC1=CC(OC(F)F)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025561505	0	31	-1.0	-49.23	295.16	1.88	-47.35
CC(CSC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561506	0	37	-1.0	-45.39	325.53	4.07	-41.32
O=C(CC1=CC=CC=C1OC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561507	0	34	-1.0	-50.10	306.00	1.86	-48.24
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561508	0	46	-1.0	-45.26	381.62	2.93	-42.33
CC(C)C1=CC=C2C(=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025561509	0	39	-1.0	-45.00	355.20	5.36	-39.64
CC1=CN2C=C(COC3=CC=CC=C3C(=O)NCCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025561510	0	47	-1.0	-55.15	399.68	7.22	-47.93
CC1CCC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)CC1	REAL300025561511	0	47	-1.0	-47.58	370.22	3.15	-44.43
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300025561512	0	37	-1.0	-45.91	332.17	1.02	-44.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=COC=C2)=N1	REAL300025561513	0	30	-1.0	-45.87	293.69	0.35	-45.52
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)C(F)F)C=CS1	REAL300025561514	0	30	-1.0	-49.86	296.28	-0.61	-50.47
CC(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025561515	0	49	-1.0	-45.53	381.71	6.75	-38.78
CC1=CC=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025561516	0	37	-1.0	-47.64	319.91	3.63	-44.01
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2F)C(C)=C1	REAL300025561517	0	40	-1.0	-53.04	350.75	3.93	-49.11
COC1=CC=C(C=O)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561518	0	37	-1.0	-51.61	328.27	1.20	-50.41
COC1=CC=CC=C1CC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561519	0	43	-1.0	-46.68	343.75	3.43	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300025561520	0	41	-1.0	-48.73	357.55	3.80	-44.93
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300025561521	0	41	-1.0	-46.22	358.12	2.08	-44.14
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561522	0	44	-1.0	-47.66	361.55	1.55	-46.11
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025561523	0	44	-1.0	-48.81	359.29	3.30	-45.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1	REAL300025561524	0	38	-1.0	-46.10	344.64	4.51	-41.59
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561525	0	36	-1.0	-53.88	330.15	0.90	-52.98
O=C(CC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025561526	0	30	-1.0	-45.96	302.88	3.23	-42.73
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300025561527	0	36	-1.0	-42.93	339.77	2.27	-40.66
CN1C=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025561528	0	36	-1.0	-51.16	318.63	1.04	-50.12
CC(C)(CCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561529	0	45	-1.0	-45.91	363.48	5.54	-40.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCC(O)CC2)C=C1	REAL300025561530	0	43	-1.0	-48.08	347.10	-0.54	-48.62
C[NH+](C)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025561531	0	42	0.0	-55.55	348.82	3.80	-51.75
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025561532	0	48	0.0	-62.86	383.91	5.23	-57.63
CCN(CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025561532	1	47	-1.0	-43.73	387.55	3.48	-40.25
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561533	0	46	-1.0	-50.38	378.59	2.91	-47.47
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025561534	0	47	-1.0	-53.50	393.81	3.54	-49.96
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561535	0	49	-1.0	-57.75	387.09	4.22	-53.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CN(C)N=C2)=N1	REAL300025561536	0	36	-1.0	-47.11	332.01	0.87	-46.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(S(=O)(=O)CC2=NOC=N2)=C1	REAL300025561537	0	38	-1.0	-60.58	359.29	-2.29	-62.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CN1	REAL300025561538	0	25	-1.0	-46.68	258.66	0.43	-46.25
COC1=CC=C(C2C(C(=O)NCCC3=NC(=O)O[N-]3)CCC(=O)N2C)C=C1	REAL300025561539	0	48	-1.0	-48.86	383.29	2.66	-46.20
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561540	0	48	-1.0	-44.32	371.95	1.61	-42.71
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025561541	0	36	-1.0	-45.32	315.29	3.66	-41.66
CC(C)(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2F)=N1	REAL300025561542	0	46	-1.0	-49.35	397.25	4.96	-44.39
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL300025561543	0	43	-1.0	-48.76	355.05	1.57	-47.19
CCN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025561544	0	43	-1.0	-52.11	349.93	2.18	-49.93
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561545	0	45	-1.0	-52.42	358.68	0.60	-51.82
CC1=NN=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025561546	0	35	-1.0	-50.20	316.12	-1.79	-51.99
CC1=NOC(C)=C1S(=O)(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025561547	0	47	-1.0	-49.41	359.81	-0.57	-49.98
O=C(CC1=CC=C(S(=O)(=O)CC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561548	0	39	-1.0	-56.72	367.36	1.15	-55.57
COC1=CC=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025561549	0	37	-1.0	-45.30	326.56	2.85	-42.45
CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NN1	REAL300025561550	0	36	-1.0	-50.41	320.33	2.26	-48.15
NC(=O)CCC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025561551	0	44	-1.0	-60.99	384.65	0.55	-60.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NS1	REAL300025561552	0	33	-1.0	-44.37	308.15	2.75	-41.62
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561553	0	40	-1.0	-51.99	351.84	2.42	-49.57
O=C(NCCC1=NC(=O)O[N-]1)C(=O)NCC1=CC=C(F)C=C1	REAL300025561554	0	34	-1.0	-41.74	313.00	-0.02	-41.76
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1C(=O)C1=NNC(=O)C=C1	REAL300025561555	0	43	-1.0	-56.42	356.84	0.49	-55.93
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(C2=CC=CC=C2)=N1	REAL300025561556	0	36	-1.0	-43.74	321.43	0.71	-43.03
CC(C)C(CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561557	0	48	-1.0	-45.88	361.27	4.74	-41.14
CC(C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025561558	0	42	-1.0	-54.55	367.87	4.20	-50.35
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H](O)CN1C(=O)OCC1=CC=CC=C1	REAL300025561559	0	46	-1.0	-56.28	395.40	0.46	-55.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300025561560	0	39	0.0	-73.76	332.73	2.58	-71.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=NC=C2)C=C1	REAL300025561560	1	38	-1.0	-47.72	329.38	2.12	-45.60
COC1=CC=CC(NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561561	0	43	-1.0	-50.56	363.17	3.46	-47.10
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL300025561562	0	34	-1.0	-45.89	300.23	3.54	-42.35
CC1=NN(CCCl)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561563	0	36	-1.0	-46.39	329.69	1.74	-44.65
CC1=CC=C(N2C=CN=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561564	0	37	-1.0	-52.34	319.16	4.48	-47.86
O=C(CCNC1=NC=C(C(F)(F)F)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025561565	0	37	-1.0	-47.51	353.07	2.07	-45.44
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC1=CC=NC=C1	REAL300025561566	0	40	-1.0	-50.14	348.56	3.39	-46.75
N#CC1=CC=C(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025561567	0	42	-1.0	-51.13	375.40	5.21	-45.92
CCC(CC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561568	0	39	-1.0	-43.80	341.15	4.85	-38.95
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561569	0	41	-1.0	-51.91	358.14	2.98	-48.93
N#CCC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025561570	0	42	-1.0	-52.70	374.18	5.57	-47.13
COCCOC1=CC=C(N2N=C(C)C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025561571	0	47	-1.0	-45.53	405.42	1.24	-44.29
O=C(C=CC1=CSC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561572	0	28	-1.0	-45.83	289.59	2.42	-43.41
CN(C)S(=O)(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025561573	0	35	-1.0	-59.89	325.71	-0.30	-60.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL300025561574	0	38	-1.0	-43.44	334.43	1.89	-41.55
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C1CCCCC1	REAL300025561575	0	54	-1.0	-51.63	425.06	5.98	-45.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL300025561576	0	34	-1.0	-46.35	321.56	-0.50	-46.85
CCCCN(C)C1=CC=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561577	0	47	-1.0	-45.55	396.02	5.42	-40.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCC1	REAL300025561578	0	38	-1.0	-51.58	319.06	4.37	-47.21
COC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)O2)C=C1	REAL300025561579	0	40	-1.0	-44.13	350.89	0.12	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300025561580	0	47	-1.0	-50.71	376.20	6.76	-43.95
O=C(CCNC(=O)C1=NC=CC=C1O)NCCC1=NC(=O)O[N-]1	REAL300025561581	0	37	-1.0	-56.80	330.47	-2.49	-59.29
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCCC1=NC(=O)O[N-]1	REAL300025561581	1	36	-2.0	-107.65	326.90	-1.48	-109.13
CC1=CC(F)=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025561582	0	40	-1.0	-44.36	351.95	5.76	-38.60
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)C=C1	REAL300025561583	0	29	-1.0	-39.20	285.12	1.99	-37.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300025561584	0	37	-1.0	-50.40	327.05	2.63	-47.77
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025561585	0	30	-1.0	-51.02	290.82	-2.86	-53.88
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561586	0	37	-1.0	-46.50	320.14	3.50	-43.00
CC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1C	REAL300025561587	0	37	-1.0	-45.95	315.37	2.68	-43.27
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(F)=C1	REAL300025561588	0	34	-1.0	-44.19	304.27	2.18	-42.01
N#CC1=CC(Cl)=CC=C1OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561589	0	39	-1.0	-53.31	370.43	5.35	-47.96
N#CC1=C(Cl)C=CC=C1OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561590	0	39	-1.0	-56.50	369.11	5.25	-51.25
CC1=CC=C(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025561591	0	43	-1.0	-51.01	371.07	3.63	-47.38
CC(C)N1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1C(F)(F)F	REAL300025561592	0	42	-1.0	-51.33	364.31	4.16	-47.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1	REAL300025561593	0	37	-1.0	-44.94	343.83	3.20	-41.74
CC1=CC=C(N2CCCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561594	0	42	-1.0	-48.57	340.16	3.85	-44.72
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)C1=CC=CC=C1	REAL300025561595	0	44	-1.0	-55.38	356.71	3.75	-51.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC(Br)=CC=C2N1	REAL300025561596	0	33	-1.0	-44.62	315.23	1.97	-42.65
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCOCC2)C=C1	REAL300025561597	0	44	-1.0	-45.79	348.60	3.15	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(COC2=CC=CC(F)=C2)=C1	REAL300025561598	0	41	-1.0	-50.41	360.99	4.87	-45.54
N#CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561599	0	35	-1.0	-51.94	318.65	2.23	-49.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCC1	REAL300025561600	0	41	-1.0	-51.44	336.19	4.98	-46.46
O=C(CN1C(=O)CCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025561601	0	38	-1.0	-52.78	323.08	2.91	-49.87
O=C(CCC1NC(=O)N(C2=CC=C(Cl)C=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025561602	0	42	-1.0	-53.77	375.33	1.67	-52.10
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC2=CC=CC=C21	REAL300025561603	0	40	-1.0	-48.95	330.48	5.60	-43.35
N#CC1=CC=CC(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561604	0	41	-1.0	-48.61	361.64	3.79	-44.82
CC(C)COC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561605	0	49	-1.0	-47.17	391.49	4.86	-42.31
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025561606	0	44	0.0	-63.87	356.50	1.39	-62.48
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025561606	1	44	0.0	-63.17	356.73	1.37	-61.80
NS(=O)(=O)C1=CC=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=C1	REAL300025561607	0	43	-1.0	-55.69	376.84	-2.56	-58.25
CC1=CC=C(NC(=O)N(C)C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561608	0	42	-1.0	-47.44	349.44	2.39	-45.05
CCC(SC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561609	0	37	-1.0	-46.61	324.77	3.86	-42.75
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561610	0	38	-1.0	-49.80	337.79	-0.99	-50.79
O=C(CC1=NOC(C2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561611	0	36	-1.0	-54.52	322.12	3.34	-51.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=NC=CC=C2Cl)N=C1	REAL300025561612	0	36	-1.0	-55.37	337.53	4.04	-51.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(I)=C1	REAL300025561613	0	24	-1.0	-45.56	262.85	1.67	-43.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1CCOCC1	REAL300025561614	0	40	-1.0	-45.73	335.04	1.76	-43.97
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025561615	0	47	-1.0	-48.39	375.11	4.11	-44.28
CC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025561616	0	36	-1.0	-46.93	320.17	0.60	-46.33
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCOC1=CC=CC=C12	REAL300025561617	0	39	-1.0	-47.16	321.34	3.48	-43.68
O=C(CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561618	0	42	-1.0	-48.28	375.42	4.92	-43.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CCCCC2)N=C1	REAL300025561619	0	40	-1.0	-46.01	330.13	2.53	-43.48
CC1=CC=CC(Cl)=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561620	0	34	-1.0	-49.71	316.89	3.49	-46.22
CC1=C(C)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025561621	0	36	-1.0	-49.87	320.03	1.40	-48.47
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC(Cl)=CC(Cl)=C1	REAL300025561622	0	34	-1.0	-46.97	321.40	4.50	-42.47
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561623	0	46	-1.0	-49.66	385.40	3.64	-46.02
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561624	0	43	-1.0	-50.28	370.43	3.13	-47.15
N#CC1=CC=CC(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025561625	0	42	-1.0	-52.22	375.42	5.20	-47.02
CCOC(=O)N1C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1C1=CC=C(C)O1	REAL300025561626	0	48	-1.0	-57.61	403.04	4.02	-53.59
O=C(CCC1=CC(Cl)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025561627	0	30	-1.0	-44.26	296.44	2.63	-41.63
CC(C)C(=O)N(C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561628	0	46	-1.0	-54.26	378.41	3.92	-50.34
CC(C)=CCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561629	0	41	-1.0	-49.53	347.03	3.79	-45.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=NC=CS2)=C1	REAL300025561630	0	34	-1.0	-52.29	318.48	0.27	-52.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300025561631	0	36	-1.0	-51.90	324.53	0.04	-51.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SCC1CCCCC1	REAL300025561632	0	46	-1.0	-48.99	380.08	5.14	-43.85
O=C(CC1=CNC2=CC=C(F)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025561633	0	34	-1.0	-51.70	306.34	2.34	-49.36
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561634	0	42	-1.0	-55.31	374.80	5.24	-50.07
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C1CCCC1	REAL300025561635	0	51	-1.0	-52.04	405.50	5.29	-46.75
CC(OC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561636	0	34	-1.0	-47.64	314.77	3.36	-44.28
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025561637	0	41	-1.0	-49.42	350.54	3.43	-45.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(Br)=C1	REAL300025561638	0	25	-1.0	-45.04	252.50	-0.10	-45.14
CCC1=NC(COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025561639	0	42	-1.0	-51.28	367.54	1.12	-50.16
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025561640	0	38	-1.0	-46.96	357.59	-0.49	-47.45
CC(C)C1=NN(C)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561641	0	36	-1.0	-45.19	329.49	1.46	-43.73
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561642	0	44	-1.0	-54.85	387.60	-4.37	-59.22
CC(C)(NC(=O)NC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561643	0	42	-1.0	-46.76	348.87	0.69	-46.07
O=C(CC1OCCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025561644	0	38	-1.0	-48.67	316.45	3.13	-45.54
CN1CCC(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025561645	0	40	-1.0	-51.31	331.60	-0.54	-51.85
O=C(NCCC1=NC(=O)O[N-]1)C1(SC2=CC=CC=C2)CCCC1	REAL300025561646	0	41	-1.0	-43.81	339.30	4.84	-38.97
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCC1	REAL300025561647	0	43	-1.0	-47.53	361.31	5.74	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=CC=C2Cl)N=N1	REAL300025561648	0	36	-1.0	-45.24	353.09	3.35	-41.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCNC2=O)=CC=C1Cl	REAL300025561649	0	37	-1.0	-52.36	328.26	0.78	-51.58
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025561650	0	46	-1.0	-49.31	381.01	6.95	-42.36
COCCOCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025561651	0	41	-1.0	-50.22	357.53	1.70	-48.52
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561652	0	44	-1.0	-50.75	374.82	-2.45	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=N2)=N1	REAL300025561653	0	33	-1.0	-45.63	301.22	2.11	-43.52
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1Br	REAL300025561654	0	34	-1.0	-46.60	330.27	3.39	-43.21
CC1=CC=C(NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)N=N1	REAL300025561655	0	40	-1.0	-51.24	344.80	2.47	-48.77
CC(C)(SC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561656	0	37	-1.0	-45.74	333.97	4.23	-41.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl	REAL300025561657	0	39	-1.0	-63.54	352.18	0.56	-62.98
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)NC(C)(C)C	REAL300025561658	0	48	-1.0	-58.93	388.30	2.02	-56.91
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025561659	0	44	-1.0	-52.55	377.78	2.29	-50.26
COC1=CC=C(COCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561660	0	41	-1.0	-46.47	352.86	1.62	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300025561661	0	37	-1.0	-50.26	343.79	3.70	-46.56
N#CC1=CC=C(NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025561662	0	40	-1.0	-49.10	355.50	4.27	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL300025561663	0	37	-1.0	-49.66	322.99	0.99	-48.67
O=C(CCSC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561664	0	40	-1.0	-48.06	352.62	2.63	-45.43
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025561665	0	41	-1.0	-43.17	350.07	1.86	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=N2)=CC=N1	REAL300025561666	0	33	-1.0	-53.62	299.30	1.02	-52.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)NC1=O	REAL300025561667	0	40	-1.0	-51.25	323.35	1.63	-49.62
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561668	0	44	-1.0	-49.07	357.64	1.60	-47.47
O=C(NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1)OCC1=CC=CC=C1	REAL300025561669	0	48	-1.0	-46.17	418.09	4.52	-41.65
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300025561670	0	42	0.0	-63.22	338.46	3.95	-59.27
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300025561670	1	42	0.0	-63.69	338.28	3.93	-59.76
CC(C(=O)NCCC1=NC(=O)O[N-]1)N(C)CC1=CC=CC=C1	REAL300025561670	1	41	-1.0	-47.26	331.74	1.72	-45.54
COC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561671	0	31	-1.0	-47.75	291.91	2.72	-45.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC=CC=N2)=N1	REAL300025561672	0	34	-1.0	-47.67	318.19	2.09	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1	REAL300025561673	0	29	-1.0	-45.78	288.23	2.72	-43.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)N=C1	REAL300025561674	0	33	-1.0	-42.83	308.69	1.23	-41.60
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025561675	0	39	-1.0	-46.53	341.49	4.45	-42.08
CC(C)C1=CC=C(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561676	0	45	-1.0	-44.79	363.00	5.39	-39.40
O=C(CCS(=O)C1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561677	0	41	-1.0	-62.27	364.61	0.25	-62.02
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(OC(F)F)C=C1F	REAL300025561678	0	31	-1.0	-48.60	298.74	1.07	-47.53
CC1=C(Cl)C=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561679	0	34	-1.0	-50.20	310.97	3.25	-46.95
COC1=CC=C(SCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025561680	0	42	-1.0	-48.07	366.82	2.68	-45.39
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561681	0	39	-1.0	-44.58	343.48	4.50	-40.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C(F)C=C21	REAL300025561682	0	33	-1.0	-47.99	296.58	0.68	-47.31
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561683	0	49	-1.0	-47.63	382.47	0.69	-46.94
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561684	0	42	-1.0	-45.85	342.45	4.76	-41.09
COC1=CC=C(S(=O)(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025561685	0	44	-1.0	-53.30	387.31	-0.75	-54.05
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561686	0	39	-1.0	-45.12	343.76	4.52	-40.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300025561687	0	35	-1.0	-57.05	329.67	3.74	-53.31
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2)=N1	REAL300025561688	0	33	-1.0	-44.44	303.50	-0.00	-44.44
CN1C(=O)N(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Br)C=C21	REAL300025561689	0	37	-1.0	-49.13	339.71	3.08	-46.05
CN(C)C(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561690	0	39	-1.0	-60.69	330.92	1.30	-59.39
O=C(CC1=CSC(C2=COC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025561691	0	33	-1.0	-52.98	314.68	1.18	-51.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300025561692	0	36	-1.0	-46.44	339.70	2.25	-44.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300025561693	0	29	-1.0	-45.96	287.74	2.83	-43.13
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=CC=N1	REAL300025561694	0	41	-1.0	-46.83	335.01	0.47	-46.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=CC=N1	REAL300025561695	0	37	-1.0	-45.25	317.05	3.10	-42.15
CC(O)C(NS(=O)(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561696	0	39	-1.0	-53.80	364.05	-5.02	-58.82
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CN(C)N=C1	REAL300025561697	0	45	-1.0	-53.47	386.50	2.50	-50.97
O=C(CCC1=NC(C2=COC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025561698	0	35	-1.0	-48.41	322.17	-0.38	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC=N2)=C1	REAL300025561699	0	33	-1.0	-53.17	299.20	2.06	-51.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300025561700	0	36	-1.0	-44.91	339.35	3.07	-41.84
O=C(CC1=CC=C([N+](=O)[O-])C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025561701	0	32	-1.0	-49.52	310.00	3.29	-46.23
CC(C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561702	0	42	-1.0	-44.46	337.24	4.91	-39.55
O=C(CC1CN(CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025561703	0	46	-1.0	-50.08	375.43	2.25	-47.83
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025561703	1	47	0.0	-77.14	371.06	4.44	-72.70
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025561703	1	47	0.0	-77.13	371.13	4.44	-72.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1CCOCC1	REAL300025561704	0	43	-1.0	-45.95	346.28	1.51	-44.44
COC1=CC=C(NC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025561705	0	39	-1.0	-45.58	351.69	1.30	-44.28
O=C(CC1=CNC2=CC=C(Cl)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025561706	0	34	-1.0	-50.73	316.64	2.78	-47.95
O=C(CCSCC1=NC2=CC=CC=C2C(=O)N1)NCCC1=NC(=O)O[N-]1	REAL300025561707	0	42	-1.0	-51.41	378.52	2.88	-48.53
COC1=CC=CC(CC2(C(=O)NCCC3=NC(=O)O[N-]3)CC3CCC2C3)=C1	REAL300025561708	0	51	-1.0	-50.48	391.22	5.30	-45.18
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025561709	0	39	-1.0	-51.05	340.39	3.59	-47.46
O=C(CCCC1=NC(C2CC2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025561710	0	38	-1.0	-53.32	333.78	0.91	-52.41
CC1=CSC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025561711	0	36	-1.0	-48.68	329.54	3.02	-45.66
O=C(CNC(C1=CC=CC=C1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025561712	0	38	-1.0	-47.47	336.88	1.52	-45.95
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1CCC2	REAL300025561713	0	39	-1.0	-50.83	341.71	-1.62	-52.45
O=C(CN1CCN(C2=CC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561714	0	43	-1.0	-49.23	349.64	-0.06	-49.29
CN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1Cl	REAL300025561715	0	38	-1.0	-44.96	332.77	2.96	-42.00
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561716	0	38	-1.0	-48.41	344.40	4.61	-43.80
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561717	0	46	-1.0	-48.96	358.93	0.11	-48.85
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300025561718	0	38	-1.0	-48.62	327.18	3.83	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300025561719	0	36	-1.0	-44.83	324.76	2.56	-42.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300025561720	0	33	-1.0	-43.76	296.21	0.65	-43.11
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=C1C(=O)NC(=O)N2	REAL300025561721	0	35	-1.0	-43.32	312.15	-2.23	-45.55
CC(C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(F)=C1	REAL300025561722	0	42	-1.0	-51.95	366.69	4.08	-47.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCCCC2)=N1	REAL300025561723	0	40	-1.0	-43.34	333.00	2.49	-40.85
CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025561724	0	44	-1.0	-48.53	356.74	2.74	-45.79
CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)[NH+]=C1	REAL300025561724	1	45	0.0	-65.90	357.52	3.04	-62.86
COCCNS(=O)(=O)C1=CNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561725	0	40	-1.0	-55.83	363.64	-4.62	-60.45
CC(C)NS(=O)(=O)C1=CNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561726	0	39	-1.0	-53.88	347.51	-3.17	-57.05
NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025561727	0	36	-1.0	-50.85	343.24	-7.22	-58.07
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025561727	1	35	-2.0	-88.97	342.02	-7.62	-96.59
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025561728	0	46	0.0	-60.06	362.19	5.10	-54.96
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025561728	1	46	0.0	-60.20	352.70	4.95	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC=C1	REAL300025561728	1	45	-1.0	-47.61	360.02	2.86	-44.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300025561729	0	40	-1.0	-58.17	345.02	0.69	-57.48
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300025561730	0	36	-1.0	-46.91	327.53	1.19	-45.72
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025561731	0	40	-1.0	-50.06	369.73	0.62	-49.44
O=C(CCSC1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561732	0	43	-1.0	-47.88	370.94	3.42	-44.46
CC(CCC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561733	0	39	-1.0	-48.44	333.41	4.40	-44.04
CC1=NC2=C(C(=O)NN2C)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561734	0	45	-1.0	-51.30	375.95	1.35	-49.95
COCCC(CC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561735	0	43	-1.0	-44.97	374.82	3.93	-41.04
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1C(=O)NC1=CC=C(Cl)C=C1	REAL300025561736	0	39	-1.0	-54.38	364.27	1.28	-53.10
CC1=CC=C(N2[N-]C(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=O)C=C1	REAL300025561737	0	37	-2.0	-91.40	331.54	1.86	-89.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL300025561738	0	32	-1.0	-44.55	304.60	0.19	-44.36
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=C2NC(=O)CC2=C1	REAL300025561739	0	32	-1.0	-49.51	297.78	0.51	-49.00
CSC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561740	0	38	-1.0	-49.44	333.67	3.74	-45.70
CC(C)(C)OC(=O)NCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561741	0	50	-1.0	-50.89	411.54	2.54	-48.35
CCCNC(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561742	0	40	-1.0	-57.73	342.72	1.43	-56.30
CC1=NN=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025561743	0	35	-1.0	-56.40	316.20	-1.80	-58.20
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2C3CCC(O3)C2C1=O	REAL300025561744	0	42	-1.0	-50.98	335.85	0.68	-50.30
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561745	0	41	-1.0	-54.89	354.60	2.22	-52.67
O=C(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561746	0	36	-1.0	-53.97	341.81	0.15	-53.82
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300025561747	0	51	-1.0	-44.71	418.86	5.10	-39.61
CCC1=CC=C(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561748	0	42	-1.0	-44.93	345.66	4.90	-40.03
CCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025561749	0	42	-1.0	-44.85	343.88	4.78	-40.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL300025561750	0	40	-1.0	-45.32	339.42	1.75	-43.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)(F)F)=C1	REAL300025561751	0	33	-1.0	-48.37	312.11	-0.33	-48.70
O=C(CCS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561752	0	45	-1.0	-52.78	391.41	0.00	-52.78
CC(C)CNC(=O)N1CCCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561753	0	51	-1.0	-60.81	399.20	2.54	-58.27
COCC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025561754	0	40	-1.0	-45.52	331.39	-0.72	-46.24
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025561755	0	51	0.0	-70.68	397.71	3.96	-66.72
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561756	0	48	0.0	-70.89	375.79	3.26	-67.63
CC[NH+](CC)CCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561757	0	42	0.0	-69.97	346.10	3.25	-66.72
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561758	0	47	0.0	-70.60	374.03	2.71	-67.89
O=C(CCN1CCN(C2=CC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561758	1	46	-1.0	-48.73	371.47	0.43	-48.30
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025561759	0	48	0.0	-66.69	380.34	2.86	-63.83
CN1CCN(CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025561759	1	47	-1.0	-47.94	377.33	0.49	-47.45
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCCCC1	REAL300025561760	0	40	-1.0	-44.41	324.57	4.31	-40.10
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561761	0	48	-1.0	-52.97	393.98	4.27	-48.70
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025561762	0	47	-1.0	-43.83	407.95	3.09	-40.74
CC(C)=CCSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561763	0	41	-1.0	-49.45	352.15	5.38	-44.07
CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C1	REAL300025561764	0	48	-1.0	-57.06	391.35	1.20	-55.86
CC1=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025561765	0	37	-1.0	-50.91	321.07	2.92	-47.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCNC2=O)=CC=C1F	REAL300025561766	0	37	-1.0	-54.52	320.29	0.34	-54.18
CCC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025561767	0	40	-1.0	-43.78	337.81	4.95	-38.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300025561768	0	29	-2.0	-89.13	283.75	-1.14	-90.27
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025561769	0	49	-1.0	-45.33	406.24	4.21	-41.12
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1C=O	REAL300025561770	0	30	-1.0	-44.74	289.57	1.16	-43.58
O=C(CC1([NH+]2CCOCC2)CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561771	0	47	0.0	-67.99	336.43	1.62	-66.37
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300025561772	0	54	-1.0	-43.77	434.44	5.49	-38.28
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561773	0	42	-1.0	-72.68	375.23	2.16	-70.52
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025561774	0	40	-1.0	-44.91	349.04	1.39	-43.52
O=C(NCCC1=NC(=O)O[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL300025561775	0	43	-1.0	-47.86	354.31	1.53	-46.33
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300025561775	1	44	0.0	-69.82	350.46	3.83	-65.99
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300025561775	1	44	0.0	-69.84	350.54	3.83	-66.01
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300025561776	0	46	-1.0	-60.81	388.35	3.70	-57.11
O=C(CCN1C(=O)CCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025561777	0	41	-1.0	-50.09	344.11	3.36	-46.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300025561778	0	38	-1.0	-46.32	364.12	5.42	-40.90
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561779	0	45	-1.0	-51.96	382.36	1.63	-50.33
CC(C)C1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025561780	0	47	-1.0	-48.95	380.36	4.60	-44.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL300025561781	0	39	-1.0	-49.87	334.68	3.87	-46.00
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025561782	0	44	-1.0	-49.93	370.40	4.40	-45.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300025561783	0	43	-1.0	-52.96	385.32	3.02	-49.94
CC(C)CNC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561784	0	48	-1.0	-48.58	380.76	1.86	-46.72
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025561785	0	49	-1.0	-44.26	406.49	3.24	-41.02
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300025561786	0	37	-1.0	-49.95	335.84	-2.34	-52.29
C[NH+]1CCN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025561787	0	48	0.0	-73.49	379.40	2.68	-70.81
CN1CC[NH+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025561787	1	48	0.0	-76.16	379.74	2.75	-73.41
CN1CCN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025561787	1	47	-1.0	-46.49	377.32	0.50	-45.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCOC2=O)=CC=C1F	REAL300025561788	0	36	-1.0	-58.16	316.52	1.69	-56.47
CC1=C2NC=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025561789	0	40	-1.0	-48.23	342.47	3.73	-44.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300025561790	0	37	-1.0	-47.23	361.30	2.78	-44.45
CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561791	0	51	-1.0	-52.14	398.82	2.36	-49.78
CN1CCN(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)CC1	REAL300025561792	0	40	-1.0	-45.87	343.66	-1.35	-47.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCCC1	REAL300025561793	0	44	-1.0	-51.35	352.04	5.53	-45.82
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561794	0	46	-1.0	-49.49	384.22	2.60	-46.89
CCS(=O)(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561795	0	41	-1.0	-54.50	364.69	-0.75	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CCC(F)(F)F)OC=N1	REAL300025561796	0	32	-1.0	-45.66	301.43	-1.08	-46.74
CCC(CC)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561797	0	42	-1.0	-47.42	325.19	3.93	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300025561798	0	32	-1.0	-52.69	308.69	3.89	-48.80
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NCCC1=NC(=O)O[N-]1	REAL300025561799	0	38	-1.0	-53.57	333.07	1.69	-51.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025561800	0	27	-1.0	-42.66	270.28	2.20	-40.46
O=C(COC1=CC(Cl)=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025561801	0	31	-1.0	-47.74	310.31	3.13	-44.61
CC1=NC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025561802	0	36	-1.0	-53.95	327.82	2.97	-50.98
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025561803	0	42	-1.0	-49.69	343.34	-0.27	-49.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025561804	0	37	-1.0	-48.38	336.37	5.13	-43.25
CC1=CC(=O)N(CC(=O)NC(C)C)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561805	0	49	-1.0	-52.19	409.13	1.50	-50.69
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2CCCC2)C1	REAL300025561806	0	49	-1.0	-48.84	384.49	2.50	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=N2)N=N1	REAL300025561807	0	35	-1.0	-49.40	320.52	-0.09	-49.49
CC1=C(C)C=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025561808	0	36	-1.0	-44.16	312.80	3.14	-41.02
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561809	0	44	-1.0	-55.62	362.94	3.27	-52.35
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1OC	REAL300025561810	0	42	-1.0	-54.93	360.45	-0.12	-55.05
CC(CCC1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561811	0	39	-1.0	-48.77	332.57	4.37	-44.40
CN(CCCC(=O)NCCC1=NC(=O)O[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025561812	0	45	-1.0	-67.06	388.58	0.88	-66.18
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025561813	0	36	-1.0	-45.02	316.69	3.57	-41.45
CC1=NOC(C(F)(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561814	0	29	-1.0	-41.70	284.37	0.66	-41.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC(OC(F)F)=C1	REAL300025561815	0	38	-1.0	-53.63	338.37	1.12	-52.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C(F)C=C1	REAL300025561816	0	35	-1.0	-53.65	313.61	3.13	-50.52
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025561817	0	43	-1.0	-47.83	385.47	0.57	-47.26
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300025561818	0	46	-1.0	-43.84	374.54	5.84	-38.00
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300025561819	0	38	-1.0	-47.31	337.39	3.20	-44.11
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561820	0	37	-1.0	-48.11	339.10	3.81	-44.30
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025561821	0	53	-1.0	-43.79	404.58	2.54	-41.25
CCCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025561822	0	42	-1.0	-54.36	368.49	4.53	-49.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300025561823	0	36	-1.0	-45.54	358.91	1.49	-44.05
CC(C)(C)C(=O)N1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561824	0	44	-1.0	-50.83	348.24	0.86	-49.97
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025561825	0	46	-1.0	-44.09	383.11	5.62	-38.47
CCC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025561826	0	40	-1.0	-44.34	349.88	4.74	-39.60
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC2=CC=CC=C2C1	REAL300025561827	0	40	-1.0	-48.13	322.67	4.27	-43.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCC2)C=C1	REAL300025561828	0	38	-1.0	-45.94	321.18	3.13	-42.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300025561829	0	38	-1.0	-46.02	365.45	5.44	-40.58
CC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561830	0	30	-1.0	-43.10	280.68	2.83	-40.27
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300025561831	0	42	-1.0	-48.92	344.80	5.40	-43.52
CN1C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025561832	0	38	-1.0	-52.26	332.67	4.51	-47.75
CC1=NOC(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025561833	0	35	-1.0	-54.68	313.78	1.65	-53.03
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561834	0	37	-1.0	-60.49	341.43	-3.95	-64.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C2OCCOC2=C1	REAL300025561835	0	41	-1.0	-56.64	351.65	2.21	-54.43
O=CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025561836	0	33	-1.0	-58.59	320.43	2.48	-56.11
CC1=CC=C(CN2C(=O)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561837	0	44	-1.0	-52.01	371.81	3.85	-48.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NO1	REAL300025561838	0	32	-1.0	-45.12	298.45	0.81	-44.31
CC(C)(C)C(=O)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025561839	0	40	-1.0	-52.60	345.85	0.57	-52.03
NC(=O)C1=CC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CN1	REAL300025561840	0	37	-1.0	-63.09	345.90	-7.57	-70.66
O=C(NCCC1=NC(=O)O[N-]1)C1CCSC2=CC=CC=C21	REAL300025561841	0	35	-1.0	-46.12	304.60	3.80	-42.32
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCO1	REAL300025561842	0	51	-1.0	-55.85	404.39	2.80	-53.05
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561843	0	37	-1.0	-55.31	332.38	3.46	-51.85
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC(F)=C1)N1CCOCC1	REAL300025561844	0	43	-1.0	-44.46	357.18	1.06	-43.40
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300025561845	0	53	-1.0	-51.79	424.80	4.05	-47.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC1=CC=CC=C1	REAL300025561846	0	38	-1.0	-49.83	339.42	5.62	-44.21
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300025561847	0	37	-1.0	-56.64	323.81	3.01	-53.63
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C1=CC=CC=C1	REAL300025561848	0	38	-1.0	-46.34	321.03	4.17	-42.17
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1C=NC=N1	REAL300025561849	0	36	-1.0	-49.63	317.45	5.07	-44.56
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561850	0	36	-1.0	-50.55	312.50	4.73	-45.82
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561851	0	41	-1.0	-46.52	346.35	0.73	-45.79
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300025561852	0	38	-1.0	-54.69	338.14	1.89	-52.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL300025561853	0	39	-1.0	-47.27	335.54	4.02	-43.25
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025561854	0	53	-1.0	-53.38	418.71	3.38	-50.00
O=C(C=CC1=CC(Br)=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025561855	0	37	-1.0	-48.04	342.64	2.56	-45.48
COCCCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561856	0	41	-1.0	-51.04	349.81	1.63	-49.41
CC1=NN(C)C(C)=C1CC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561857	0	42	-1.0	-48.06	339.66	2.01	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL300025561858	0	39	-1.0	-50.98	343.28	-0.91	-51.89
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1NC(=O)CC(C)C	REAL300025561859	0	46	-1.0	-49.99	376.55	3.50	-46.49
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC(F)F	REAL300025561860	0	39	-1.0	-48.53	344.82	1.08	-47.45
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025561861	0	44	-1.0	-54.25	360.55	3.36	-50.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOCC2)C=C1	REAL300025561862	0	42	-1.0	-46.68	345.09	1.92	-44.76
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1CCNC1=O	REAL300025561863	0	41	-1.0	-58.02	352.31	-0.07	-58.09
CC(C)CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025561864	0	43	-1.0	-48.20	363.69	2.72	-45.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C(Br)=C1	REAL300025561865	0	27	-1.0	-46.71	268.43	-0.91	-47.62
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561866	0	43	-1.0	-60.09	381.13	-0.47	-60.56
O=C(C=CC1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025561867	0	28	-1.0	-45.06	289.55	2.45	-42.61
CCC(CC)C(C(=O)NCCC1=NC(=O)O[N-]1)N1CCOCC1	REAL300025561868	0	48	-1.0	-44.42	352.74	2.44	-41.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL300025561869	0	33	-1.0	-53.78	305.87	2.25	-51.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCCC2)=N1	REAL300025561870	0	39	-1.0	-43.82	334.61	2.69	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCCC1=CC=CC=C12	REAL300025561871	0	41	-1.0	-47.29	329.85	5.36	-41.93
CC(CC(=O)C1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561872	0	38	-1.0	-46.91	329.45	3.55	-43.36
CCCCCCC(C)(CCC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561873	0	50	-1.0	-45.75	384.01	5.32	-40.43
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561874	0	31	-1.0	-45.88	302.48	3.07	-42.81
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025561875	0	39	-1.0	-44.28	336.24	4.84	-39.44
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCCC1	REAL300025561876	0	43	-1.0	-47.90	356.80	5.43	-42.47
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=S)NC(C2CC2)=N1	REAL300025561877	0	36	-1.0	-59.80	329.59	2.34	-57.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300025561878	0	35	-2.0	-90.65	316.13	-0.80	-91.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C2=CC=CO2)=N1	REAL300025561878	1	36	-1.0	-48.41	318.93	0.31	-48.10
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C(C)(C)C)=N1	REAL300025561879	0	41	-1.0	-47.05	336.55	1.15	-45.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300025561879	1	40	-2.0	-87.58	335.47	0.10	-87.48
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(C(C)C)=N1	REAL300025561880	0	38	-1.0	-47.93	319.38	0.56	-47.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C(C)C)=N1	REAL300025561880	1	37	-2.0	-86.98	315.96	-0.51	-87.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2O)=NN1	REAL300025561881	0	35	-1.0	-47.08	313.55	-0.98	-48.06
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025561882	0	38	-2.0	-108.97	340.98	0.07	-108.90
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025561883	0	34	-2.0	-105.23	317.91	0.83	-104.40
CC1=CC(C)=NC(N2[N-]C(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=O)=N1	REAL300025561884	0	38	-2.0	-99.23	347.05	2.27	-96.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(Br)C=C2C1=O	REAL300025561885	0	33	-1.0	-53.03	313.60	2.27	-50.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025561885	1	32	-2.0	-82.01	310.38	1.83	-80.18
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025561886	0	34	-2.0	-113.01	316.00	0.92	-112.09
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025561887	0	36	-2.0	-83.66	334.77	1.10	-82.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025561887	1	37	-1.0	-48.08	337.11	1.57	-46.51
CC1=CC(F)=CC2=C1NC=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025561888	0	36	-1.0	-52.47	316.56	2.50	-49.97
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025561888	1	35	-2.0	-82.94	315.47	2.15	-80.79
COC1=CC=C(C(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025561889	0	41	-1.0	-49.68	342.57	1.97	-47.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(Br)C=N2)N=N1	REAL300025561890	0	32	-1.0	-42.69	318.07	1.53	-41.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(I)=CN=C2C=C1	REAL300025561891	0	30	-1.0	-46.13	297.76	3.04	-43.09
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561892	0	41	-1.0	-52.78	354.84	2.71	-50.07
CC1=CC2=C(C=C1C)OC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025561893	0	38	-1.0	-50.63	320.97	3.63	-47.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300025561894	0	41	-1.0	-48.56	351.94	5.48	-43.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300025561895	0	31	-1.0	-48.33	286.77	2.45	-45.88
CC(=O)NC(CC1=CNC2=CC(F)=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561896	0	44	-1.0	-57.70	369.82	2.41	-55.29
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025561897	0	47	-1.0	-47.61	389.50	6.71	-40.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC2=CC=CC=C21	REAL300025561898	0	36	-1.0	-49.44	304.58	1.47	-47.97
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561899	0	45	-1.0	-43.33	379.95	6.14	-37.19
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1Br	REAL300025561900	0	27	-1.0	-48.31	273.36	1.97	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC(F)=C1F	REAL300025561901	0	34	-1.0	-45.95	299.69	3.57	-42.38
O=C(CCCCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025561902	0	39	-1.0	-46.02	349.05	5.11	-40.91
CCCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561903	0	43	-1.0	-45.97	362.19	4.05	-41.92
CCC(OC1=CC=CC(C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561904	0	40	-1.0	-49.68	330.27	3.95	-45.73
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025561905	0	37	-1.0	-45.45	336.90	4.55	-40.90
O=C(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)OCC(F)(F)F	REAL300025561906	0	38	-1.0	-50.76	351.83	1.15	-49.61
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300025561907	0	37	-1.0	-47.53	342.88	4.74	-42.79
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025561908	0	36	-1.0	-42.12	327.41	2.01	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl	REAL300025561909	0	38	-1.0	-49.46	368.27	5.22	-44.24
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025561910	0	39	-1.0	-58.41	331.76	-0.45	-58.86
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025561911	0	47	-1.0	-49.32	404.81	7.67	-41.65
CCC1=CC=C(C(=O)N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)O1	REAL300025561912	0	47	-1.0	-52.00	384.68	3.21	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1SCCC2=C1C=CS2	REAL300025561913	0	32	-1.0	-46.76	297.61	2.66	-44.10
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025561914	0	43	-1.0	-53.24	353.78	0.27	-52.97
CC(C)N1C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561915	0	34	-1.0	-43.68	310.61	3.03	-40.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=NC=N1	REAL300025561916	0	36	-1.0	-46.26	311.89	4.25	-42.01
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)CC1CC1	REAL300025561917	0	47	-1.0	-52.57	382.60	3.73	-48.84
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025561918	0	36	-1.0	-46.72	320.45	3.97	-42.75
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025561919	0	39	-1.0	-54.60	346.98	3.76	-50.84
COC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025561920	0	37	-1.0	-46.28	339.51	1.76	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CS2)N=N1	REAL300025561921	0	33	-1.0	-45.78	316.08	0.82	-44.96
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC(Br)=C1)N1CCCC1	REAL300025561922	0	42	-1.0	-44.62	367.30	3.08	-41.54
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1F)N1CCOCC1	REAL300025561923	0	43	-1.0	-44.65	349.79	1.11	-43.54
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300025561924	0	42	-1.0	-64.44	373.45	-0.45	-64.89
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561925	0	43	-1.0	-54.25	363.03	2.54	-51.71
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(C2=CC=CC=C2)CC1	REAL300025561926	0	43	-1.0	-45.76	346.31	5.24	-40.52
CC(C)(C)C(=O)NC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025561927	0	42	-1.0	-52.66	366.49	1.37	-51.29
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025561927	1	41	-2.0	-100.91	365.18	0.27	-100.64
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=C3C=CSC3=NC=N2)C1	REAL300025561928	0	43	-1.0	-52.91	363.22	3.00	-49.91
O=C(NCCC1=NC(=O)O[N-]1)C1SCCC2=CC=CC=C21	REAL300025561929	0	35	-1.0	-47.83	305.65	3.48	-44.35
O=C(CCC1=NN=CN1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025561930	0	39	-1.0	-49.50	340.79	5.24	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300025561931	0	42	-1.0	-47.73	381.35	4.03	-43.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL300025561932	0	37	-1.0	-54.73	339.12	1.30	-53.43
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561933	0	44	-1.0	-51.88	363.03	1.61	-50.27
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025561934	0	46	0.0	-71.30	368.54	5.18	-66.12
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025561934	1	46	0.0	-71.24	368.32	5.19	-66.05
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025561935	0	39	-1.0	-49.08	335.60	4.26	-44.82
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025561936	0	47	-1.0	-48.27	393.73	3.55	-44.72
CN1C=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025561937	0	37	-1.0	-53.64	323.38	2.84	-50.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C1=CC=C(Cl)C(Cl)=C1	REAL300025561938	0	37	-1.0	-46.95	357.61	6.09	-40.86
CC(C)C1=NN(C)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025561939	0	39	-1.0	-45.86	349.23	2.55	-43.31
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025561940	0	42	-2.0	-103.16	375.89	-2.30	-105.46
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300025561940	1	43	-1.0	-54.23	377.05	-2.33	-56.56
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561941	0	46	-1.0	-58.19	390.82	-0.19	-58.38
CC1=CC=C2C(CCC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025561942	0	40	-1.0	-48.18	342.61	3.74	-44.44
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C)=C1Br	REAL300025561943	0	31	-1.0	-47.17	307.33	2.29	-44.88
CCOC(C)C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025561944	0	36	-1.0	-46.47	327.40	0.13	-46.34
CC(C)(C)OC(=O)N1CCCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561945	0	47	-1.0	-44.49	371.69	2.21	-42.28
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025561946	0	47	-1.0	-55.44	383.85	2.73	-52.71
COCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025561947	0	37	-1.0	-46.62	325.90	-1.53	-48.15
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300025561948	0	37	-1.0	-44.45	333.60	4.04	-40.41
CCCCCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561949	0	56	-1.0	-45.39	444.40	7.81	-37.58
CC1=C(Br)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561950	0	30	-1.0	-45.47	277.23	2.73	-42.74
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561951	0	44	-1.0	-49.10	375.47	2.67	-46.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL300025561952	0	40	-1.0	-48.20	352.02	3.12	-45.08
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025561953	0	44	-1.0	-45.62	375.94	0.18	-45.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025561954	0	30	-1.0	-46.76	297.50	2.68	-44.08
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025561955	0	38	-1.0	-46.36	336.02	-0.03	-46.39
CCC(OC1CCCC(C)C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561956	0	46	-1.0	-46.92	360.56	4.36	-42.56
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025561957	0	35	-1.0	-46.67	342.35	3.06	-43.61
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561958	0	42	-1.0	-56.44	355.72	0.73	-55.71
CC(CCOC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561959	0	40	-1.0	-49.14	335.47	3.16	-45.98
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025561960	0	30	-1.0	-46.92	282.75	2.72	-44.20
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CNN=C2)C1	REAL300025561961	0	35	-1.0	-49.18	305.86	-1.02	-50.20
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+](C2CCCCC2)C1	REAL300025561962	0	46	0.0	-64.57	348.17	3.82	-60.75
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+](C2CCCCC2)C1	REAL300025561962	1	46	0.0	-63.65	349.03	3.90	-59.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1F	REAL300025561963	0	30	-1.0	-52.83	285.73	2.60	-50.23
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1C=O	REAL300025561964	0	40	-1.0	-52.29	357.42	3.11	-49.18
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025561965	0	42	-1.0	-46.82	350.50	4.61	-42.21
CC(C)OC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561966	0	37	-1.0	-44.86	333.85	3.01	-41.85
CC(C)(C)OC(=O)N1CC(OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561967	0	45	-1.0	-53.56	376.81	1.15	-52.41
CN1C=CN=C1CN1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561968	0	45	-1.0	-48.43	362.34	1.07	-47.36
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561968	1	46	0.0	-73.03	365.29	3.52	-69.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=NC=C1	REAL300025561969	0	33	-1.0	-51.61	294.22	-0.19	-51.80
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(N)C([N+](=O)[O-])=C1	REAL300025561970	0	34	-1.0	-46.89	299.09	1.26	-45.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300025561971	0	40	-1.0	-49.57	350.58	3.77	-45.80
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025561972	0	47	-1.0	-45.50	376.00	1.27	-44.23
CS(=O)(=O)CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561973	0	36	-1.0	-49.35	316.78	-1.10	-50.45
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561974	0	46	-1.0	-47.37	367.37	2.09	-45.28
CC(C)OCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561975	0	41	-1.0	-53.48	361.68	-3.60	-57.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300025561976	0	37	-1.0	-46.96	346.38	2.34	-44.62
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025561977	0	40	-1.0	-51.75	344.88	2.88	-48.87
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=C(F)C=C1	REAL300025561978	0	45	-1.0	-47.15	367.22	3.13	-44.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025561978	1	46	0.0	-64.01	368.55	5.16	-58.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025561978	1	46	0.0	-63.96	368.59	5.18	-58.78
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(F)C=C1	REAL300025561979	0	42	-1.0	-44.72	347.18	1.95	-42.77
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025561980	0	37	-2.0	-77.96	353.09	-0.33	-78.29
CC(C1=CC=CC=C1)C(C)(O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561981	0	40	-1.0	-44.10	323.82	1.09	-43.01
CC1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1C	REAL300025561982	0	40	-1.0	-49.25	333.10	-0.75	-50.00
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300025561983	0	27	-1.0	-47.37	278.57	2.26	-45.11
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561984	0	43	-1.0	-48.38	378.30	5.14	-43.24
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561984	1	42	-2.0	-92.85	375.00	4.99	-87.86
O=C(CSC1=N[N-]C(=S)S1)NCCC1=NC(=O)O[N-]1	REAL300025561985	0	26	-2.0	-82.41	289.28	-0.58	-82.99
O=C(CSC1=NNC(=S)S1)NCCC1=NC(=O)O[N-]1	REAL300025561985	1	27	-1.0	-46.81	292.71	-0.44	-47.25
O=C(CC1=COC2=CC(F)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025561986	0	33	-1.0	-49.71	302.18	2.64	-47.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300025561987	0	29	-1.0	-53.72	288.85	3.81	-49.91
O=C(CCC1=CC(Cl)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025561988	0	33	-1.0	-44.53	323.28	4.01	-40.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)N=C1	REAL300025561989	0	26	-1.0	-43.67	259.75	0.27	-43.40
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025561990	0	44	-1.0	-44.44	364.18	1.60	-42.84
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C(F)=CC(F)=C1F	REAL300025561991	0	27	-1.0	-45.08	272.16	1.61	-43.47
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025561992	0	54	-1.0	-53.94	399.56	3.70	-50.24
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)S1	REAL300025561993	0	30	-1.0	-46.72	292.87	2.58	-44.14
CC1=CC=C(S(=O)(=O)C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025561994	0	46	-1.0	-45.53	384.52	2.76	-42.77
CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561995	0	47	-1.0	-55.08	395.02	2.82	-52.26
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=NN1	REAL300025561996	0	30	-1.0	-47.52	289.75	-0.54	-48.06
CC1=NNC(C(F)(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561996	1	30	-1.0	-44.08	289.70	-0.55	-44.63
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561997	0	47	-1.0	-45.45	362.84	3.84	-41.61
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561998	0	50	-1.0	-49.22	413.07	2.33	-46.89
CCC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025561999	0	42	-1.0	-46.71	341.85	4.60	-42.11
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300025562000	0	45	-1.0	-47.06	370.62	5.44	-41.62
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=NN(C)C2=N1	REAL300025562001	0	35	-1.0	-48.77	306.89	1.22	-47.55
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025562002	0	35	-1.0	-53.53	317.58	-2.50	-56.03
O=C(NCCC1=NC(=O)O[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL300025562003	0	41	-1.0	-50.23	349.84	3.49	-46.74
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025562004	0	49	-1.0	-48.44	401.62	7.80	-40.64
CCC(OC1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562005	0	37	-1.0	-53.90	315.09	3.35	-50.55
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300025562006	0	37	-1.0	-46.12	346.25	3.77	-42.35
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025562007	0	33	-1.0	-47.83	315.78	3.74	-44.09
CC1=CC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025562008	0	39	-1.0	-47.95	340.54	4.20	-43.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300025562009	0	38	-1.0	-48.31	342.98	-1.64	-49.95
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300025562010	0	39	-1.0	-48.24	329.74	5.01	-43.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2O1	REAL300025562011	0	30	-1.0	-44.30	291.28	2.45	-41.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1OCC(F)(F)F	REAL300025562012	0	33	-1.0	-54.24	309.45	1.78	-52.46
COC1=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=CC(OC)=C1	REAL300025562013	0	46	-1.0	-52.28	381.58	1.08	-51.20
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025562014	0	39	-1.0	-44.82	342.14	4.42	-40.40
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562015	0	47	-1.0	-46.41	376.02	2.08	-44.33
CCC(C)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562016	0	40	-1.0	-45.98	333.24	3.20	-42.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025562017	0	37	-2.0	-106.23	339.25	1.79	-104.44
CC1=CC(O)=CC(=O)N1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562018	0	37	-1.0	-53.83	319.44	-1.13	-54.96
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300025562019	0	39	-1.0	-52.71	344.56	0.29	-52.42
CC1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025562020	0	32	-1.0	-53.11	296.62	4.14	-48.97
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CNC(=O)NC1=O	REAL300025562021	0	30	-1.0	-52.32	284.75	-3.52	-55.84
COC1=CC=CC(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562022	0	40	-1.0	-47.35	332.26	2.74	-44.61
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)F	REAL300025562023	0	38	-1.0	-46.72	336.64	3.16	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300025562024	0	38	-1.0	-47.24	356.28	5.02	-42.22
CNS(=O)(=O)C1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562025	0	32	-1.0	-51.97	313.37	-3.33	-55.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300025562026	0	35	-1.0	-43.49	320.43	3.58	-39.91
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025562027	0	35	-1.0	-48.86	323.98	-3.46	-52.32
CC1=C(Br)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562028	0	27	-1.0	-42.32	276.54	1.87	-40.45
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562029	0	45	-1.0	-55.79	380.97	6.17	-49.62
COC1=CC=C(OC)C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562030	0	38	-1.0	-45.68	334.25	1.00	-44.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300025562031	0	39	-1.0	-46.83	347.04	2.42	-44.41
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)OC2=CC=CC=C21	REAL300025562032	0	35	-1.0	-56.50	311.96	3.21	-53.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2C(I)=CN=C12	REAL300025562033	0	30	-1.0	-46.84	297.13	3.62	-43.22
NC(=O)C1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562034	0	38	-1.0	-49.29	332.25	-1.35	-50.64
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC(F)=C1	REAL300025562035	0	38	-1.0	-45.01	331.44	3.41	-41.60
CC1=CC=C2NC=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025562036	0	40	-1.0	-48.24	342.61	3.75	-44.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300025562037	0	37	-1.0	-49.08	335.37	3.78	-45.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC(F)F	REAL300025562038	0	31	-1.0	-46.26	297.10	2.89	-43.37
COC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1OC	REAL300025562039	0	42	-1.0	-48.16	363.47	0.80	-47.36
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562040	0	40	-1.0	-48.50	371.20	4.36	-44.14
O=C(CCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562041	0	33	-1.0	-44.78	310.62	3.65	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300025562042	0	39	-1.0	-50.26	361.59	0.27	-49.99
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562043	0	34	-1.0	-43.65	311.18	1.77	-41.88
CCC(OC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562044	0	37	-1.0	-51.79	324.89	3.81	-47.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300025562045	0	37	-1.0	-49.54	325.42	2.76	-46.78
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=CO1	REAL300025562046	0	24	-1.0	-45.53	246.18	0.16	-45.37
COCCOC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562047	0	38	-1.0	-51.13	342.83	2.77	-48.36
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2O1	REAL300025562048	0	36	-1.0	-52.87	314.84	3.82	-49.05
CC(C)(C)OC(=O)N1CCN(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562049	0	52	-1.0	-49.35	407.96	0.85	-48.50
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562049	1	53	0.0	-75.30	410.28	3.04	-72.26
NC(=O)C1=CC=CC(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562050	0	38	-1.0	-51.37	332.32	-1.37	-52.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CS(=O)(=O)C(F)F)C=C1	REAL300025562051	0	36	-1.0	-53.40	341.38	0.15	-53.25
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025562052	0	43	-1.0	-50.08	357.70	3.83	-46.25
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CN(C)N=C2)O1	REAL300025562053	0	36	-1.0	-47.38	325.13	-1.48	-48.86
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300025562054	0	48	-1.0	-55.17	401.24	1.42	-53.75
COCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562055	0	41	-1.0	-48.11	349.74	1.66	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300025562056	0	40	-1.0	-51.38	357.72	3.53	-47.85
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CC2CCC1C2	REAL300025562057	0	47	-1.0	-50.00	360.48	6.08	-43.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300025562058	0	38	-1.0	-47.56	348.77	4.93	-42.63
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562059	0	39	-1.0	-48.59	363.23	5.89	-42.70
CSCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025562060	0	34	-1.0	-46.62	314.71	3.45	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025562061	0	36	-1.0	-44.80	348.79	3.45	-41.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL300025562062	0	29	-1.0	-59.27	286.51	3.90	-55.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C(Cl)=C1	REAL300025562063	0	27	-1.0	-42.30	285.44	3.08	-39.22
O=C(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)NC1CCCCC1	REAL300025562064	0	47	-1.0	-55.55	391.03	1.42	-54.13
COC1=CC=C(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562065	0	40	-1.0	-46.28	332.25	2.75	-43.53
CCSC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562066	0	34	-1.0	-45.87	317.20	3.91	-41.96
N#CCSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562067	0	32	-1.0	-54.49	304.30	3.15	-51.34
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025562068	0	35	-1.0	-52.32	305.75	3.36	-48.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL300025562069	0	32	-1.0	-45.23	303.46	2.49	-42.74
CC(C)(C)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562070	0	40	-1.0	-46.57	323.58	2.69	-43.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300025562071	0	34	-1.0	-46.42	319.88	4.33	-42.09
CC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)NC(=O)NC1=O	REAL300025562072	0	39	-1.0	-50.76	339.29	-1.42	-52.18
CC1=NC2=CC=CC=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562073	0	36	-1.0	-55.03	315.05	3.03	-52.00
COC1=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C(C=O)C=C1	REAL300025562074	0	36	-1.0	-54.77	325.16	0.95	-53.82
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025562075	0	34	-1.0	-44.08	314.46	4.05	-40.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C(Br)C=CC=C12	REAL300025562076	0	33	-1.0	-43.41	308.61	1.35	-42.06
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562077	0	39	-1.0	-49.29	359.80	3.88	-45.41
COC(=O)COC1=C(C)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025562078	0	43	-1.0	-49.75	373.16	4.03	-45.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300025562079	0	37	-1.0	-46.65	329.89	2.69	-43.96
CC1=CC=C(SC2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025562080	0	44	-1.0	-44.12	361.42	5.50	-38.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300025562081	0	39	-1.0	-46.33	345.85	4.45	-41.88
O=C(CCSC1=CC=NC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025562082	0	39	-1.0	-46.85	362.94	4.25	-42.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1F	REAL300025562083	0	30	-1.0	-46.95	286.89	2.62	-44.33
O=C(CC1=CC=CC(I)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562084	0	30	-1.0	-46.72	295.71	3.31	-43.41
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025562085	0	34	-1.0	-48.26	311.66	1.95	-46.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC([N+](=O)[O-])=C1Br	REAL300025562086	0	29	-1.0	-46.24	289.03	2.73	-43.51
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562087	0	43	-1.0	-47.42	385.23	4.52	-42.90
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300025562088	0	44	-1.0	-44.96	343.22	4.20	-40.76
COC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025562089	0	39	-1.0	-47.74	345.14	2.25	-45.49
CC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025562090	0	36	-1.0	-44.81	328.83	4.21	-40.60
CS(=O)(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025562091	0	35	-1.0	-55.40	327.97	-3.45	-58.85
CN(C)C1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025562092	0	44	-1.0	-47.52	364.09	3.58	-43.94
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025562093	0	47	-1.0	-53.00	404.32	2.51	-50.49
CC(C)CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025562094	0	49	-1.0	-50.60	392.02	3.68	-46.92
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562095	0	44	-1.0	-44.56	380.66	3.01	-41.55
O=C(COCC=CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025562096	0	38	-1.0	-51.11	333.54	3.88	-47.23
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562097	0	39	-1.0	-51.35	361.11	-1.02	-52.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=NO1	REAL300025562098	0	35	-1.0	-46.28	318.19	1.73	-44.55
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300025562099	0	56	-1.0	-49.92	425.61	4.28	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(I)=C1	REAL300025562100	0	27	-1.0	-42.43	276.59	2.68	-39.75
CC1=NN(CC(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562101	0	33	-1.0	-52.63	305.83	1.24	-51.39
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562102	0	36	-1.0	-45.10	331.76	4.16	-40.94
CC1=C(S(N)(=O)=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025562103	0	32	-1.0	-51.67	302.52	-4.69	-56.36
CN1C=NC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562104	0	35	-1.0	-54.93	326.04	-2.98	-57.91
CC1=CC=C(N2N=C(Br)CC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562105	0	39	-1.0	-49.52	352.28	3.34	-46.18
O=C(CC1=CC=C([N+](=O)[O-])C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025562106	0	32	-1.0	-49.23	313.83	3.36	-45.87
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025562107	0	35	-1.0	-49.66	317.54	3.70	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300025562108	0	36	-1.0	-45.59	333.80	3.17	-42.42
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562109	0	37	-1.0	-45.90	340.12	4.89	-41.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300025562110	0	41	-1.0	-47.23	371.21	4.84	-42.39
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C=C1F	REAL300025562111	0	27	-1.0	-44.83	280.87	2.13	-42.70
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562112	0	38	-1.0	-45.29	329.19	3.50	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F	REAL300025562113	0	37	-1.0	-52.07	341.80	1.75	-50.32
CC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562114	0	30	-1.0	-46.93	280.98	2.84	-44.09
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025562115	0	33	-1.0	-49.06	326.20	-0.02	-49.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC(Cl)=C1	REAL300025562116	0	34	-1.0	-52.38	315.95	2.07	-50.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1Cl	REAL300025562117	0	34	-1.0	-51.38	317.10	2.04	-49.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1F	REAL300025562118	0	34	-1.0	-52.39	308.76	1.59	-50.80
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562119	0	32	-1.0	-44.04	331.72	3.06	-40.98
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025562120	0	38	-1.0	-47.09	343.27	4.20	-42.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300025562121	0	30	-1.0	-43.60	288.42	2.60	-41.00
O=C(CCCC1=CSC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025562122	0	39	-1.0	-49.72	347.18	5.15	-44.57
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562123	0	37	-1.0	-44.52	339.84	3.36	-41.16
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=N2)=NO1	REAL300025562124	0	35	-1.0	-49.65	320.74	1.61	-48.04
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025562125	0	43	-1.0	-49.58	360.78	4.03	-45.55
O=C(CCCC1=C(Cl)SC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562126	0	33	-1.0	-47.02	333.22	3.91	-43.11
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025562127	0	45	-1.0	-56.34	384.14	3.85	-52.49
CC1=CC(I)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025562128	0	33	-1.0	-42.81	304.01	3.84	-38.97
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025562129	0	43	-2.0	-108.95	371.69	2.69	-106.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025562130	0	31	-1.0	-46.36	289.28	1.34	-45.02
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025562131	0	31	-1.0	-47.84	299.38	1.99	-45.85
CC1=CC=C(I)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562132	0	30	-1.0	-42.84	287.16	3.31	-39.53
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562133	0	38	-1.0	-54.61	345.61	-3.70	-58.31
COC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025562134	0	38	-1.0	-49.02	349.18	0.75	-48.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300025562135	0	27	-1.0	-42.40	279.39	2.62	-39.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1Br	REAL300025562136	0	26	-1.0	-46.05	254.97	0.41	-45.64
COC1=C(S(N)(=O)=O)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562137	0	33	-1.0	-51.29	320.81	-5.11	-56.40
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562138	0	58	-1.0	-45.89	460.07	1.30	-44.59
CSC1=NC(=O)NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562139	0	33	-1.0	-49.67	309.85	-1.92	-51.59
CSC1=NC(=O)[N-]C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562139	1	32	-2.0	-90.14	305.73	-3.11	-93.25
COC1=CC=C2OCC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025562140	0	37	-1.0	-47.67	318.68	1.33	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NN1	REAL300025562141	0	34	-1.0	-47.21	309.25	1.72	-45.49
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(F)(C3)C1)C2	REAL300025562142	0	41	-1.0	-47.80	314.24	3.51	-44.29
CC1=CC=CC(C)=C1NC(=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562143	0	37	-1.0	-41.73	318.84	1.48	-40.25
CC1=NC(CC(C)C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562144	0	38	-1.0	-44.48	330.43	2.18	-42.30
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCCCC1=O	REAL300025562145	0	46	-1.0	-54.56	359.11	4.44	-50.12
CC1=CC=C(N2N=C(Br)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562146	0	37	-1.0	-44.90	343.44	3.69	-41.21
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)OC2=CC=C(Br)C=C21	REAL300025562147	0	35	-1.0	-52.64	333.38	3.81	-48.83
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562148	0	39	-1.0	-48.57	349.33	0.88	-47.69
CC(CSC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562149	0	37	-1.0	-44.76	331.93	4.14	-40.62
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025562150	0	43	-1.0	-46.93	384.15	5.58	-41.35
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562151	0	38	-1.0	-48.48	324.22	3.38	-45.10
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025562152	0	37	-1.0	-48.08	332.44	1.07	-47.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O	REAL300025562153	0	40	-1.0	-48.95	360.01	4.99	-43.96
CN1C=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025562154	0	40	-1.0	-48.39	343.68	4.80	-43.59
O=C(CCC1=CC=C2OCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562155	0	38	-1.0	-46.86	325.22	2.86	-44.00
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025562156	0	48	-1.0	-48.47	392.87	1.93	-46.54
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025562157	0	49	-1.0	-46.24	395.21	2.49	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025562158	0	37	-2.0	-89.95	360.37	-0.32	-90.27
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562159	0	42	-1.0	-57.64	372.80	-4.71	-62.35
COC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562160	0	40	-1.0	-47.68	328.43	2.45	-45.23
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025562161	0	47	-1.0	-49.81	389.23	2.15	-47.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL300025562162	0	33	-1.0	-51.88	302.72	0.27	-51.61
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562163	0	39	-1.0	-44.49	335.66	4.38	-40.11
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025562164	0	38	-1.0	-50.93	338.56	-1.83	-52.76
CCC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NN1	REAL300025562165	0	39	-1.0	-49.92	341.78	2.90	-47.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300025562166	0	29	-1.0	-45.50	292.79	2.82	-42.68
COC(=O)C1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1	REAL300025562167	0	37	-1.0	-48.46	327.90	0.97	-47.49
O=C(C#CC1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562168	0	32	-1.0	-46.88	301.17	1.56	-45.32
CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562169	0	42	-1.0	-58.10	346.10	0.35	-57.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)S(=O)(=O)CCO1	REAL300025562170	0	32	-1.0	-60.46	291.22	-3.34	-63.80
CC1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025562171	0	39	-1.0	-46.52	334.08	3.84	-42.68
COC1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025562172	0	40	-1.0	-47.06	342.13	2.46	-44.60
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562173	0	37	-1.0	-49.90	338.86	2.91	-46.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300025562174	0	30	-1.0	-46.09	298.72	3.03	-43.06
CC1=CC=CC(I)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562175	0	30	-1.0	-45.73	292.73	2.91	-42.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300025562176	0	36	-1.0	-46.51	312.68	3.17	-43.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300025562177	0	36	-1.0	-45.97	329.40	3.69	-42.28
CCC(CC1=CC=CC=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562178	0	39	-1.0	-45.77	336.97	4.40	-41.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300025562179	0	41	-1.0	-48.22	348.61	3.02	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC1	REAL300025562180	0	40	-1.0	-48.35	330.00	4.40	-43.95
COC1=CC=C(Br)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562181	0	34	-1.0	-47.53	315.10	1.98	-45.55
CC1=CC2=C(N3CCCC3C(=O)NCCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025562182	0	43	-1.0	-53.01	369.52	3.48	-49.53
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025562183	0	42	-1.0	-51.12	376.74	1.99	-49.13
CCCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562184	0	40	-1.0	-48.79	340.79	3.24	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300025562185	0	37	-1.0	-44.47	348.88	2.56	-41.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300025562186	0	46	-1.0	-46.27	379.69	6.59	-39.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300025562187	0	34	-1.0	-51.52	314.21	2.23	-49.29
COCCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562188	0	38	-1.0	-56.27	341.05	-4.52	-60.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300025562189	0	30	-1.0	-44.21	298.61	3.17	-41.04
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562190	0	41	-1.0	-56.13	362.83	2.51	-53.62
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562191	0	40	-1.0	-48.40	335.14	-2.15	-50.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2CCOC2=O)C=C1	REAL300025562192	0	38	-1.0	-54.13	343.46	3.95	-50.18
COC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025562193	0	44	-1.0	-49.93	357.68	2.36	-47.57
CC1=CC=CC(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025562194	0	39	-1.0	-46.34	334.09	3.83	-42.51
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025562195	0	33	-1.0	-46.17	302.59	2.24	-43.93
CC1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)NC(=O)NC1=O	REAL300025562196	0	39	-1.0	-53.02	339.39	-1.42	-54.44
CC1(C)C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025562197	0	38	-1.0	-48.09	326.57	1.04	-47.05
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025562198	0	48	-1.0	-52.60	377.81	1.74	-50.86
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300025562199	0	31	-1.0	-49.07	298.62	1.08	-47.99
O=C(CSC1=NC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025562200	0	34	-1.0	-47.51	315.90	1.63	-45.88
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(CCO)N=C1C(F)(F)F	REAL300025562201	0	37	-1.0	-46.52	347.95	-1.96	-48.48
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NCCC1=NC(=O)O[N-]1	REAL300025562202	0	38	-1.0	-57.04	342.81	3.11	-53.93
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562203	0	43	-2.0	-92.35	384.23	0.41	-91.94
CC(C)CC1=NN=C(NC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562203	1	44	-1.0	-52.22	387.53	1.54	-50.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1F	REAL300025562204	0	27	-1.0	-46.50	275.63	2.72	-43.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1	REAL300025562205	0	26	-1.0	-46.33	259.96	0.28	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300025562206	0	34	-1.0	-44.59	321.73	4.22	-40.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300025562207	0	36	-1.0	-47.54	332.25	1.78	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300025562208	0	38	-1.0	-48.49	364.96	6.65	-41.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025562209	0	40	-1.0	-49.05	371.97	6.29	-42.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C(F)(F)F	REAL300025562210	0	30	-1.0	-48.59	279.85	2.65	-45.94
CC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562211	0	34	-1.0	-52.79	312.20	0.95	-51.84
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025562212	0	34	-1.0	-56.23	312.08	0.94	-55.29
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300025562213	0	35	-1.0	-53.11	307.59	0.81	-52.30
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(SC2=CC=CC=C2)=N1	REAL300025562214	0	40	-1.0	-50.79	358.19	4.70	-46.09
O=C(CCC1=NC(C2CCCC2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025562215	0	41	-1.0	-45.78	346.50	0.99	-44.79
NC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562216	0	45	-1.0	-54.62	390.88	-0.92	-55.54
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562217	0	46	-1.0	-47.25	380.48	4.66	-42.59
CCOCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562218	0	38	-1.0	-53.49	341.40	-4.35	-57.84
CC(C)(C)OC(=O)NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NS1	REAL300025562219	0	39	-1.0	-40.48	344.56	-1.45	-41.93
CCC1=NNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1CC	REAL300025562220	0	38	-1.0	-45.49	314.26	0.12	-45.37
O=C(CC1=CC(F)=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025562221	0	30	-1.0	-47.32	286.09	2.36	-44.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300025562222	0	33	-1.0	-42.90	308.34	2.62	-40.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1CCOCC1	REAL300025562223	0	45	-1.0	-46.32	366.13	2.71	-43.61
COC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025562224	0	38	-1.0	-50.85	326.40	2.14	-48.71
CCN1N=C(C(F)(F)F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025562225	0	36	-1.0	-46.64	336.53	1.41	-45.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300025562226	0	34	-1.0	-54.96	313.27	1.58	-53.38
O=C(NCCC1=NC(=O)O[N-]1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025562227	0	41	-1.0	-46.09	343.48	2.64	-43.45
CC(O)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025562228	0	37	-1.0	-46.44	329.61	0.74	-45.70
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025562229	0	47	0.0	-62.05	368.16	1.93	-60.12
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025562229	1	47	0.0	-62.19	371.71	2.28	-59.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300025562230	0	37	-1.0	-58.38	343.06	3.73	-54.65
O=C(CCCC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562231	0	36	-1.0	-47.99	332.12	4.42	-43.57
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562232	0	36	-1.0	-47.63	334.63	-5.25	-52.88
CC(C)(C)OC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025562233	0	49	-1.0	-43.18	380.22	1.57	-41.61
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562234	0	47	-1.0	-53.59	393.12	4.65	-48.94
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562235	0	49	-1.0	-43.17	386.81	1.53	-41.64
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562236	0	51	-1.0	-49.48	404.68	5.23	-44.25
CC(C)(C)OC(=O)N1CCCC(OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562237	0	51	-1.0	-50.93	407.46	2.89	-48.04
O=C(CSC1=NC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025562238	0	36	-1.0	-48.26	327.85	3.32	-44.94
CC1=CC=C(C2=NC(SCC(=O)NCCC3=NC(=O)O[N-]3)=NN2)C=C1	REAL300025562239	0	40	-1.0	-50.48	365.91	3.40	-47.08
CC1=CC=C(C2=NNC(SCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025562239	1	40	-1.0	-47.12	366.67	3.52	-43.60
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562240	0	40	-2.0	-92.28	365.31	-0.36	-92.64
CC(C)C1=NN=C(NC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562240	1	41	-1.0	-52.36	368.61	0.77	-51.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1	REAL300025562241	0	37	-1.0	-45.56	369.82	3.48	-42.08
CC(C)(C)OC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025562242	0	45	-1.0	-45.49	367.40	3.21	-42.28
CC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300025562243	0	49	-1.0	-47.14	394.64	5.73	-41.41
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562244	0	46	-1.0	-47.34	373.43	5.10	-42.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025562245	0	27	-1.0	-46.10	274.13	1.98	-44.12
CSC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025562246	0	31	-1.0	-44.53	310.96	3.52	-41.01
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025562247	0	37	-1.0	-49.88	338.11	1.45	-48.43
CC1=C(I)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562248	0	30	-1.0	-45.19	283.06	3.18	-42.01
O=C(CCC1=NN=C(C2CCCC2)O1)NCCC1=NC(=O)O[N-]1	REAL300025562249	0	41	-1.0	-47.65	346.81	-1.41	-49.06
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025562250	0	40	-1.0	-51.58	356.73	3.84	-47.74
O=C(CCCC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025562251	0	36	-1.0	-48.09	327.02	4.24	-43.85
CC(CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562252	0	46	-1.0	-47.76	370.70	0.51	-47.25
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300025562253	0	56	-1.0	-50.75	425.30	4.26	-46.49
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562254	0	39	-1.0	-55.99	359.13	-1.10	-57.09
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562255	0	42	-1.0	-48.26	372.24	5.42	-42.84
COC1=CC=CC(OC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562256	0	38	-1.0	-49.71	324.25	0.95	-48.76
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562257	0	37	-1.0	-56.90	325.97	3.39	-53.51
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562258	0	41	-1.0	-49.04	343.91	-0.04	-49.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1I	REAL300025562259	0	27	-1.0	-41.72	277.72	2.73	-38.99
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=C1	REAL300025562260	0	31	-1.0	-46.53	294.44	1.92	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Br	REAL300025562261	0	27	-1.0	-45.18	276.29	2.67	-42.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1Cl	REAL300025562262	0	27	-1.0	-44.27	283.61	3.15	-41.12
CC(C)(C)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562263	0	42	-1.0	-47.01	344.13	4.54	-42.47
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562264	0	46	-1.0	-50.90	367.74	0.55	-50.35
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025562265	0	50	-1.0	-46.54	394.23	1.62	-44.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=NN=C2C(F)F)C=C1	REAL300025562266	0	32	-1.0	-49.82	296.24	2.74	-47.08
CS(=O)(=O)N1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562267	0	40	-1.0	-54.90	338.45	-3.87	-58.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=C1	REAL300025562268	0	33	-1.0	-48.52	299.28	0.91	-47.61
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCCC1=NC(=O)O[N-]1	REAL300025562269	0	39	-1.0	-54.03	342.44	5.04	-48.99
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562270	0	42	-1.0	-52.63	352.96	4.25	-48.38
CC1CCCC(OCCCCCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562271	0	52	-1.0	-47.62	408.60	5.02	-42.60
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562272	0	44	-1.0	-46.88	371.27	-3.16	-50.04
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCOCC1	REAL300025562273	0	41	-1.0	-47.29	338.86	0.81	-46.48
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562274	0	44	-1.0	-52.90	368.04	-0.14	-53.04
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562275	0	37	-1.0	-49.66	335.49	4.08	-45.58
CCCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025562276	0	40	-1.0	-46.16	335.58	2.82	-43.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300025562277	0	29	-1.0	-46.46	283.91	2.57	-43.89
COC(=O)C1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562278	0	36	-1.0	-51.57	322.74	2.87	-48.70
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300025562279	0	29	-1.0	-55.19	287.62	2.74	-52.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL300025562280	0	37	-1.0	-47.77	318.79	0.78	-46.99
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1I	REAL300025562281	0	30	-1.0	-44.25	297.02	0.14	-44.11
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562282	0	38	-1.0	-46.46	334.55	4.02	-42.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025562283	0	37	-1.0	-44.52	364.25	3.02	-41.50
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562284	0	53	-1.0	-50.96	412.84	3.86	-47.10
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025562285	0	49	-1.0	-54.01	398.66	6.00	-48.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCCO	REAL300025562286	0	37	-1.0	-45.83	340.06	0.73	-45.10
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300025562287	0	31	-1.0	-44.88	309.01	1.32	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025562288	0	27	-2.0	-101.92	268.99	1.73	-100.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1O	REAL300025562288	1	28	-1.0	-48.34	272.56	0.73	-47.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300025562289	0	42	-1.0	-48.54	363.37	3.35	-45.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300025562290	0	39	-1.0	-46.59	340.83	2.93	-43.66
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025562291	0	46	-1.0	-56.46	378.26	-0.30	-56.76
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025562291	1	45	-2.0	-122.42	374.99	0.67	-121.75
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025562292	0	45	-1.0	-53.15	373.81	0.34	-52.81
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025562292	1	44	-2.0	-116.74	370.53	1.34	-115.40
O=C(NC1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025562293	0	39	-1.0	-49.55	360.51	-0.32	-49.87
O=C(NC1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025562293	1	38	-2.0	-105.12	357.25	0.68	-104.44
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025562294	0	32	-1.0	-54.66	302.03	-3.43	-58.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CN=C2)S1	REAL300025562295	0	32	-1.0	-45.89	305.09	0.66	-45.23
O=C(COC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025562296	0	31	-1.0	-52.21	297.26	2.75	-49.46
CC1=CC=C(C(C)C(O)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562297	0	40	-1.0	-45.61	332.86	2.49	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=N1	REAL300025562298	0	26	-1.0	-44.07	261.98	0.33	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1C(F)(F)F	REAL300025562299	0	29	-1.0	-53.02	269.93	0.92	-52.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300025562300	0	36	-1.0	-49.41	327.48	3.95	-45.46
CCOC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025562301	0	39	-1.0	-48.82	339.88	0.81	-48.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Br	REAL300025562302	0	27	-1.0	-45.02	280.85	2.77	-42.25
CC(C)CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025562303	0	43	-1.0	-46.23	353.88	3.55	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300025562304	0	32	-1.0	-48.80	309.76	0.47	-48.33
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025562305	0	33	-1.0	-43.30	298.81	3.40	-39.90
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025562306	0	35	-1.0	-48.19	313.53	2.12	-46.07
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300025562307	0	36	-1.0	-57.86	328.70	3.78	-54.08
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562308	0	51	-1.0	-47.83	403.73	3.69	-44.14
CS(=O)(=O)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562309	0	37	-1.0	-57.45	337.53	-0.37	-57.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1I	REAL300025562310	0	26	-1.0	-46.14	275.03	1.20	-44.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2SCC(=O)NC2=C1	REAL300025562311	0	32	-1.0	-46.79	298.41	-1.38	-48.17
CCCCCCCCCCC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562312	0	56	-1.0	-45.39	432.56	7.20	-38.19
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562313	0	47	-1.0	-49.29	385.92	2.63	-46.66
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN2C(Br)=CN=C12	REAL300025562314	0	29	-1.0	-50.88	288.82	1.02	-49.86
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300025562315	0	45	-1.0	-45.63	380.86	4.84	-40.79
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562316	0	40	-1.0	-47.35	342.79	4.34	-43.01
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=N1	REAL300025562317	0	34	-1.0	-51.77	313.36	2.02	-49.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300025562318	0	34	-1.0	-44.10	315.68	2.48	-41.62
CC(CC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562319	0	36	-1.0	-44.11	326.04	4.13	-39.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC(F)(F)F	REAL300025562320	0	36	-1.0	-46.24	317.22	4.09	-42.15
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562321	0	39	-1.0	-51.23	337.96	0.43	-50.80
CC1=CC(S(C)(=O)=O)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025562322	0	39	-1.0	-51.75	336.89	0.28	-51.47
CC1=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025562323	0	33	-1.0	-42.18	317.23	3.20	-38.98
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562324	0	53	-1.0	-45.48	423.19	-0.92	-46.40
COCCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025562325	0	43	-1.0	-46.89	371.06	1.56	-45.33
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025562326	0	37	-1.0	-45.00	338.94	4.73	-40.27
CC(=CC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562327	0	34	-1.0	-46.24	307.46	3.84	-42.40
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1	REAL300025562328	0	36	-1.0	-48.94	338.15	3.32	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL300025562329	0	33	-1.0	-46.03	295.63	2.12	-43.91
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(F)C=C2C1	REAL300025562330	0	35	-1.0	-44.81	304.29	2.14	-42.67
O=C(CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562331	0	51	-1.0	-51.64	430.67	5.85	-45.79
CCC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025562332	0	35	-1.0	-47.48	310.88	2.91	-44.57
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025562333	0	44	-1.0	-46.64	361.60	2.54	-44.10
CCC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562334	0	42	-1.0	-45.62	333.64	4.32	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Br)=C1	REAL300025562335	0	27	-1.0	-42.45	279.39	2.62	-39.83
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CC(Br)=CN2N=C1	REAL300025562336	0	29	-1.0	-52.56	288.92	1.05	-51.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2CCCO2)=N1	REAL300025562337	0	34	-1.0	-44.96	309.61	-0.46	-45.42
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025562338	0	30	-1.0	-54.32	297.40	-1.97	-56.29
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025562339	0	32	-1.0	-45.68	305.29	3.24	-42.44
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562340	0	39	-1.0	-46.60	364.24	5.56	-41.04
CCOC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562341	0	37	-1.0	-44.75	326.64	2.65	-42.10
CC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025562342	0	42	-1.0	-49.70	346.46	2.22	-47.48
CC1=CN(CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)N=C1	REAL300025562343	0	36	-1.0	-49.29	328.20	1.31	-47.98
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025562344	0	32	-1.0	-53.83	305.71	-4.26	-58.09
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025562344	1	31	-2.0	-92.64	302.69	-4.71	-97.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300025562345	0	36	-1.0	-55.78	320.10	3.41	-52.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NNC=N2)C=C1	REAL300025562345	1	36	-1.0	-51.48	320.71	3.00	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1	REAL300025562346	0	38	-1.0	-47.34	345.20	3.04	-44.30
O=C(CCC(=O)N1CCC(O)CC1)NCCC1=NC(=O)O[N-]1	REAL300025562347	0	41	-1.0	-47.41	337.74	-1.80	-49.21
O=C(CCC(=O)NC1=CC=C2NC(=O)NC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025562348	0	40	-1.0	-55.79	354.86	-1.21	-57.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300025562349	0	39	-1.0	-50.22	340.10	5.46	-44.76
NS(=O)(=O)C1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CC=C12	REAL300025562350	0	37	-1.0	-48.63	330.94	-2.95	-51.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1O	REAL300025562351	0	28	-1.0	-45.28	279.91	1.18	-44.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1[O-]	REAL300025562351	1	27	-2.0	-99.51	276.35	2.19	-97.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1O	REAL300025562352	0	28	-1.0	-46.19	273.43	0.70	-45.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025562352	1	27	-2.0	-101.68	269.86	1.71	-99.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025562353	0	33	-2.0	-102.18	307.77	3.83	-98.35
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300025562353	1	34	-1.0	-46.28	311.34	2.83	-43.45
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025562354	0	29	-1.0	-49.15	276.33	0.90	-48.25
CCCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562355	0	37	-1.0	-54.21	328.87	-2.81	-57.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL300025562356	0	33	-1.0	-53.36	296.66	1.38	-51.98
COC(=O)C1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562357	0	39	-1.0	-50.38	335.51	3.43	-46.95
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562358	0	49	-1.0	-44.34	378.76	1.78	-42.56
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025562359	0	30	-1.0	-47.31	280.97	2.83	-44.48
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=NO1	REAL300025562360	0	41	-1.0	-51.85	360.87	0.35	-51.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300025562361	0	44	-1.0	-48.93	376.43	5.32	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300025562362	0	41	-1.0	-49.47	354.93	4.54	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCC(O)CC1	REAL300025562363	0	46	-1.0	-47.53	368.81	0.13	-47.40
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300025562363	1	47	0.0	-60.94	371.49	1.88	-59.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300025562364	0	34	-1.0	-46.78	321.41	3.21	-43.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1	REAL300025562365	0	44	-1.0	-45.87	382.54	5.18	-40.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1	REAL300025562366	0	42	-1.0	-46.50	354.40	4.51	-41.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2OCCO2)=C1	REAL300025562367	0	36	-1.0	-49.17	310.60	1.18	-47.99
CCOC(=O)C1=C2N=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2N=C1	REAL300025562368	0	38	-1.0	-48.41	341.92	2.40	-46.01
NC(=O)C1=C2N=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2N=C1	REAL300025562369	0	33	-1.0	-51.94	300.44	-2.46	-54.40
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025562370	0	29	-1.0	-54.49	283.28	-5.47	-59.96
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025562371	0	33	-1.0	-48.87	316.70	-0.41	-49.28
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=N1	REAL300025562372	0	33	-1.0	-52.09	299.73	3.23	-48.86
CC(C)CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025562373	0	39	-1.0	-47.35	330.82	2.28	-45.07
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025562374	0	45	-1.0	-49.16	369.39	6.03	-43.13
COC(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562375	0	36	-1.0	-50.49	315.40	2.58	-47.91
CC(OC1=CC=CC(CO)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562376	0	38	-1.0	-52.53	326.29	0.05	-52.48
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562377	0	32	-1.0	-52.01	318.22	-2.94	-54.95
CC1=CC=C(CC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025562378	0	39	-1.0	-46.20	355.30	3.70	-42.50
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025562379	0	33	-1.0	-46.12	305.15	3.40	-42.72
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025562380	0	43	-1.0	-47.39	360.95	4.22	-43.17
CSCC1=NOC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025562381	0	35	-1.0	-46.98	325.62	-0.33	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300025562382	0	33	-1.0	-45.63	310.62	4.40	-41.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1	REAL300025562383	0	37	-1.0	-46.96	366.58	3.30	-43.66
O=C(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)NC1CCCC1	REAL300025562384	0	44	-1.0	-55.55	373.43	0.82	-54.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300025562385	0	38	-1.0	-43.86	337.95	2.38	-41.48
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562386	0	49	-1.0	-44.07	388.51	1.31	-42.76
CNC(=O)COC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562387	0	41	-1.0	-58.27	357.95	1.07	-57.20
CS(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562388	0	33	-1.0	-55.52	308.52	-0.86	-56.38
CC1(CCCC(=O)NCCC2=NC(=O)O[N-]2)NC(=O)NC1=O	REAL300025562389	0	38	-1.0	-54.01	323.35	-3.42	-57.43
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=N1	REAL300025562390	0	40	-1.0	-50.27	341.94	3.22	-47.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1C1=CC=CC=N1	REAL300025562391	0	39	-1.0	-52.23	324.69	4.66	-47.57
COC1=CC=C2NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025562392	0	38	-1.0	-52.62	330.05	1.34	-51.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL300025562393	0	32	-1.0	-45.24	301.32	2.46	-42.78
CCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025562394	0	50	-1.0	-50.53	413.39	4.86	-45.67
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562395	0	48	-1.0	-47.95	383.54	3.30	-44.65
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300025562396	0	47	-1.0	-47.39	382.73	2.67	-44.72
CC(C)(C)OC(=O)NC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025562397	0	47	-1.0	-51.84	373.67	1.17	-50.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=C(F)C=C1F	REAL300025562398	0	27	-1.0	-44.35	281.13	2.75	-41.60
O=C(CC1=CC(Br)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025562399	0	30	-1.0	-46.77	294.68	2.87	-43.90
O=C(CC1=CC(Cl)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025562400	0	30	-1.0	-45.52	302.87	3.23	-42.29
O=C(CC1=CC=CC=C1I)NCCC1=NC(=O)O[N-]1	REAL300025562401	0	30	-1.0	-46.01	291.13	3.11	-42.90
O=C(CC1=CC(F)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025562402	0	30	-1.0	-45.86	292.54	2.79	-43.07
CC(C)C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025562403	0	35	-1.0	-49.43	319.08	0.76	-48.67
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025562404	0	46	-1.0	-53.96	388.45	2.09	-51.87
O=C(CSC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562405	0	31	-1.0	-48.11	307.75	3.29	-44.82
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562406	0	50	-1.0	-52.13	412.51	3.62	-48.51
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025562407	0	50	-1.0	-53.07	393.01	2.66	-50.41
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562408	0	49	-1.0	-51.31	383.68	1.02	-50.29
CN(C)C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025562409	0	39	-1.0	-56.84	343.89	1.81	-55.03
COCCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562410	0	41	-1.0	-50.77	352.92	1.72	-49.05
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562411	0	47	-1.0	-56.34	394.99	4.53	-51.81
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562412	0	47	-1.0	-45.24	391.20	2.57	-42.67
CC1=CC=C(C(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C(F)(F)F)O1	REAL300025562413	0	37	-1.0	-44.21	333.27	0.75	-43.46
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025562414	0	32	-1.0	-49.97	313.91	-2.83	-52.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300025562415	0	30	-1.0	-46.28	295.13	2.95	-43.33
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562416	0	48	-1.0	-46.72	375.17	5.47	-41.25
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025562417	0	35	-1.0	-51.91	307.76	3.26	-48.65
CC(C)COC1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562418	0	44	-1.0	-52.59	369.80	3.83	-48.76
O=C(CCCNC(=O)C1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025562419	0	39	-1.0	-50.78	340.89	-0.30	-51.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300025562420	0	32	-1.0	-42.96	310.54	3.22	-39.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1	REAL300025562421	0	27	-1.0	-42.86	281.33	2.66	-40.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1	REAL300025562422	0	39	-1.0	-46.29	352.86	5.06	-41.23
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562423	0	44	-1.0	-48.00	360.68	2.33	-45.67
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562424	0	47	-1.0	-50.42	373.36	2.89	-47.53
CC1(C)CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025562425	0	43	-1.0	-50.54	344.07	2.06	-48.48
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562426	0	34	-1.0	-47.56	313.93	2.01	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300025562427	0	45	-1.0	-43.94	366.59	2.65	-41.29
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1CCCS1(=O)=O	REAL300025562428	0	41	-1.0	-49.45	342.15	-0.58	-50.03
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025562429	0	41	-1.0	-47.20	341.78	1.89	-45.31
CC(CSCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562430	0	40	-1.0	-44.62	351.44	4.98	-39.64
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025562431	0	32	-1.0	-69.51	300.10	2.75	-66.76
CC1=CC=CC=C1SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562432	0	41	-1.0	-45.93	362.28	6.20	-39.73
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025562433	0	49	-1.0	-43.28	377.74	1.81	-41.47
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562434	0	44	-1.0	-56.76	368.73	-3.34	-60.10
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=NC2=CC=CC=C21	REAL300025562435	0	36	-1.0	-52.14	312.03	3.34	-48.80
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300025562436	0	43	-1.0	-47.18	360.57	4.75	-42.43
O=C(CSCC1=CSC=N1)NCCC1=NC(=O)O[N-]1	REAL300025562437	0	30	-1.0	-51.03	296.99	0.56	-50.47
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562438	0	43	-1.0	-50.79	371.96	3.81	-46.98
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL300025562439	0	33	-1.0	-42.59	319.00	1.68	-40.91
COC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025562440	0	43	-1.0	-50.23	358.60	3.26	-46.97
CC(C)(C)OC(=O)N1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562441	0	45	-1.0	-48.50	365.16	1.25	-47.25
CN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025562442	0	34	-1.0	-50.56	301.27	0.40	-50.16
CC(C)CC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562443	0	43	-1.0	-45.91	359.01	5.42	-40.49
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1	REAL300025562444	0	45	-1.0	-52.17	397.94	3.33	-48.84
CCSC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562445	0	37	-1.0	-48.10	329.61	4.08	-44.02
O=C(CC1=CC=C(Br)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562446	0	30	-1.0	-48.08	294.94	2.89	-45.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1I	REAL300025562447	0	27	-1.0	-47.79	270.58	2.65	-45.14
CC1=NN=C(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025562448	0	35	-1.0	-59.80	313.95	-1.20	-61.00
CC(C)(C)OC(=O)N1CCOC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562449	0	48	-1.0	-51.51	385.02	1.73	-49.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CO2)S1	REAL300025562450	0	31	-1.0	-45.69	298.04	2.45	-43.24
O=C(CCCOC1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562451	0	40	-1.0	-52.81	345.36	1.26	-51.55
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562452	0	52	-1.0	-49.18	415.54	5.69	-43.49
O=C(CCCOC1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562453	0	44	-1.0	-50.35	364.83	4.52	-45.83
CC(C)(C)C1CCC(=CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562454	0	46	-1.0	-44.66	347.32	4.36	-40.30
COC1=CC=CC(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025562455	0	38	-1.0	-47.05	334.28	0.88	-46.17
CC(C)CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562456	0	45	-1.0	-45.05	370.53	5.71	-39.34
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025562457	0	38	-1.0	-42.95	353.47	4.00	-38.95
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025562458	0	36	-1.0	-47.47	314.21	3.54	-43.93
O=C(CSCC1=CSC=N1)NCCC1=NC(=O)O[N-]1	REAL300025562459	0	30	-1.0	-51.03	296.99	0.56	-50.47
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025562460	0	46	-1.0	-48.47	373.12	6.57	-41.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C2N1	REAL300025562461	0	34	-1.0	-49.36	317.30	2.57	-46.79
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562462	0	36	-1.0	-53.10	329.40	-3.30	-56.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1O)CCCC2	REAL300025562463	0	38	-1.0	-47.77	314.86	2.56	-45.21
O=C(C=CC(=O)NC1=CC2=CNN=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562464	0	38	-1.0	-52.98	341.61	-0.18	-53.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C(F)(F)F)=C1	REAL300025562465	0	29	-1.0	-43.13	295.08	1.23	-41.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CCC(F)(F)F)C=C1	REAL300025562466	0	36	-1.0	-47.39	325.82	4.14	-43.25
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025562467	0	44	-1.0	-51.69	356.27	2.63	-49.06
CCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC)C=C1	REAL300025562468	0	43	-1.0	-49.44	351.37	3.34	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1	REAL300025562469	0	33	-1.0	-43.47	340.04	3.72	-39.75
C=C(C)CN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CO1	REAL300025562470	0	44	-1.0	-49.22	395.92	4.80	-44.42
CC(C)(C)C1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562471	0	48	-1.0	-45.01	349.55	4.26	-40.75
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1Cl	REAL300025562472	0	37	-1.0	-49.09	331.01	3.78	-45.31
O=C(COC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562473	0	41	-1.0	-50.23	339.58	4.60	-45.63
O=C(CCCOC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562474	0	47	-1.0	-50.03	382.03	5.10	-44.93
CC1=CC(S(N)(=O)=O)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025562475	0	38	-1.0	-49.87	330.44	-2.31	-52.18
NC(=O)C1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025562476	0	30	-1.0	-49.07	287.74	-2.89	-51.96
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C)C=C21	REAL300025562477	0	37	-1.0	-45.42	316.04	2.84	-42.58
COC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025562478	0	38	-1.0	-46.08	334.20	0.88	-45.20
O=C(CC1=CNC2=CC(Br)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025562479	0	34	-1.0	-49.78	321.11	2.88	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(CN2C=C(Br)C=N2)=C1	REAL300025562480	0	33	-1.0	-48.96	328.01	1.25	-47.71
O=C(CC1=CSC2=CC=C(Cl)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025562481	0	33	-1.0	-47.95	321.07	4.09	-43.86
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562482	0	50	-1.0	-48.12	384.29	2.84	-45.28
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562483	0	50	-1.0	-45.44	386.35	3.27	-42.17
O=C(NCCC1=NC(=O)O[N-]1)C1(SC2=CC=CC=C2)CC1	REAL300025562484	0	35	-1.0	-44.49	314.82	3.94	-40.55
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562485	0	43	-1.0	-52.67	381.92	1.50	-51.17
CC(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1CCOCC1	REAL300025562486	0	40	-1.0	-62.21	336.95	-1.76	-63.97
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL300025562487	0	42	-1.0	-46.08	346.26	2.69	-43.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1Br	REAL300025562488	0	27	-1.0	-42.62	272.24	2.28	-40.34
CC1=CC=C(C(C)C)C(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562489	0	46	-1.0	-46.13	377.82	4.54	-41.59
CC(C)C1=CC=CC=C1OCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562490	0	43	-1.0	-45.96	356.41	3.87	-42.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=NC=C2)=N1	REAL300025562491	0	32	-1.0	-45.85	305.87	0.59	-45.26
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562492	0	52	-1.0	-51.67	399.61	1.48	-50.19
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562493	0	39	-1.0	-52.88	343.72	1.80	-51.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300025562494	0	36	-1.0	-46.29	344.30	4.12	-42.17
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025562495	0	42	-1.0	-49.95	358.53	-0.32	-50.27
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562496	0	41	-1.0	-56.75	341.68	0.88	-55.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=CN=N1	REAL300025562497	0	33	-1.0	-61.67	294.55	1.40	-60.27
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC1CCCC1	REAL300025562498	0	45	-1.0	-48.58	367.48	3.66	-44.92
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025562499	0	36	-1.0	-50.17	337.43	3.02	-47.15
COC1=CC2=NNN=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562500	0	33	-1.0	-48.79	290.12	-0.61	-49.40
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025562501	0	33	-1.0	-54.40	326.79	3.72	-50.68
O=C(CC1=CC=C2CC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562502	0	35	-1.0	-50.76	309.90	0.67	-50.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300025562503	0	43	-1.0	-48.65	371.54	1.09	-47.56
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562504	0	36	-1.0	-44.41	320.11	3.04	-41.37
O=C(NCCC1=NC(=O)O[N-]1)C(C1=C(F)C=CC=C1Cl)N1CCCCC1	REAL300025562505	0	45	-1.0	-45.00	374.69	4.97	-40.03
O=C(NCCC1=NC(=O)O[N-]1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300025562506	0	44	-1.0	-49.08	362.19	4.90	-44.18
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300025563507	0	34	-1.0	-44.39	321.55	3.95	-40.44
CC(O)(CSC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563508	0	38	-1.0	-42.88	341.59	0.90	-41.98
CN1C=CN=C1C(CC(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025563509	0	36	-1.0	-45.67	321.65	1.77	-43.90
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563510	0	40	-1.0	-54.31	337.06	3.42	-50.89
CC1=CN=C(S(C)(=O)=O)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563511	0	34	-1.0	-50.53	314.68	-3.08	-53.61
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C(Cl)=NS1	REAL300025563512	0	23	-1.0	-43.17	261.11	0.07	-43.10
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=NO1	REAL300025563513	0	35	-1.0	-48.25	317.95	1.72	-46.53
O=C(CC1=CC=C2N=CSC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025563514	0	32	-1.0	-50.78	299.07	1.60	-49.18
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563515	0	39	-1.0	-56.68	366.82	1.33	-55.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300025563516	0	36	-1.0	-50.92	317.34	4.25	-46.67
CC1=NC2=C3C=CC=NC3=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563517	0	46	-1.0	-55.15	387.23	4.38	-50.77
CNC1=NC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025563518	0	33	-1.0	-55.97	301.80	1.40	-54.57
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563519	0	44	-1.0	-50.60	367.63	6.15	-44.45
CN(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025563520	0	40	-1.0	-45.58	340.87	1.83	-43.75
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL300025563521	0	37	-1.0	-53.80	313.19	2.89	-50.91
NC1=NC(C2CCCC2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563522	0	40	-1.0	-43.20	329.55	1.25	-41.95
O=C(CCC[C@H](O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563523	0	40	-1.0	-49.57	345.83	1.54	-48.03
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563524	0	32	-1.0	-41.37	305.42	3.40	-37.97
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Br	REAL300025563525	0	30	-1.0	-42.41	297.54	3.17	-39.24
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563526	0	42	-1.0	-46.54	358.92	5.24	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025563527	0	34	-2.0	-107.49	317.91	0.83	-106.66
CC1=CC2=C(C)C=CN=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563528	0	38	-1.0	-55.51	321.65	3.55	-51.96
O=C(NCCC1=NC(=O)O[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300025563529	0	35	-1.0	-42.12	319.18	3.08	-39.04
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL300025563530	0	36	-1.0	-48.54	307.26	3.10	-45.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(F)=C1Br	REAL300025563531	0	27	-1.0	-44.01	282.00	2.72	-41.29
O=C(CSC1=NC=CN1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563532	0	41	-1.0	-48.51	370.02	5.11	-43.40
O=CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025563533	0	36	-1.0	-53.57	324.81	3.41	-50.16
O=C(NCCC1=NC(=O)O[N-]1)C12C3C(=O)C4C1C1CC4C3C12	REAL300025563534	0	36	-1.0	-46.67	297.98	2.60	-44.07
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)CC1	REAL300025563535	0	38	-1.0	-48.81	321.03	0.57	-48.24
O=C(NCCC1=NC(=O)O[N-]1)C1COCCN1CC(F)(F)F	REAL300025563536	0	36	-1.0	-43.87	300.10	-2.21	-46.08
CS(=O)(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563537	0	36	-1.0	-60.23	316.44	-0.37	-60.60
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1CC1	REAL300025563538	0	36	-1.0	-61.21	312.44	-0.85	-62.06
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CCC2=CC=CC=C2C1	REAL300025563539	0	38	-1.0	-45.74	315.18	0.96	-44.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=NN1	REAL300025563540	0	37	-1.0	-45.38	328.40	2.35	-43.03
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025563541	0	33	-1.0	-55.20	308.32	-0.92	-56.12
CCC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCOC(CC)C1	REAL300025563542	0	45	-1.0	-46.68	347.51	-0.06	-46.74
CCN(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1Cl	REAL300025563543	0	41	-1.0	-48.81	348.17	2.71	-46.10
O=C(CC1=CSC(N2CCOCC2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025563544	0	39	-1.0	-50.67	340.79	-0.97	-51.64
CCCCCCCCC(O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563545	0	51	-1.0	-44.79	410.98	3.00	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C(F)=CC=C2N1	REAL300025563546	0	31	-1.0	-47.73	303.84	2.12	-45.61
COC(=O)N[C@@H](CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563547	0	40	-1.0	-43.97	325.53	-1.09	-45.06
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025563548	0	51	-1.0	-56.78	391.41	4.14	-52.64
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(SCC2CC2)=C1F	REAL300025563549	0	38	-1.0	-49.94	352.14	4.92	-45.02
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025563550	0	43	-1.0	-47.38	362.56	0.09	-47.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300025563551	0	37	-1.0	-43.16	345.93	3.20	-39.96
COC1=CC=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025563552	0	41	-1.0	-46.45	360.17	2.61	-43.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CN=CO2)=C1	REAL300025563553	0	33	-1.0	-52.66	297.86	-0.05	-52.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2OCCO2)C=C1	REAL300025563554	0	36	-1.0	-47.16	310.74	1.17	-45.99
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C=N1	REAL300025563555	0	33	-1.0	-49.77	294.63	0.71	-49.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300025563555	1	32	-2.0	-109.31	291.06	1.72	-107.59
CC1=NN=C(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)O1	REAL300025563556	0	37	-1.0	-51.12	333.87	-4.84	-55.96
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1N1C=CC=N1	REAL300025563557	0	34	-1.0	-57.59	307.91	2.79	-54.80
CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563558	0	36	-1.0	-45.33	326.50	1.53	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL300025563559	0	38	-1.0	-45.47	329.00	2.34	-43.13
CN1C2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C(=O)N(C)C1=O	REAL300025563560	0	36	-1.0	-50.85	329.99	1.04	-49.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300025563561	0	40	-1.0	-44.10	339.36	0.64	-43.46
COC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025563562	0	41	-1.0	-44.17	358.69	1.98	-42.19
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=CC=C1)C(F)(F)F	REAL300025563563	0	34	-1.0	-42.28	304.36	3.71	-38.57
O=C(NCCC1=NC(=O)O[N-]1)C(F)=CC1=CC=C(C(F)(F)F)C=C1	REAL300025563564	0	34	-1.0	-41.72	319.39	3.77	-37.95
O=C(NCCC1=NC(=O)O[N-]1)C(F)CN(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025563565	0	51	-1.0	-44.38	422.02	5.49	-38.89
O=C(NCCC1=NC(=O)O[N-]1)C(F)C[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025563565	1	52	0.0	-68.71	404.29	6.88	-61.83
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CN=C1	REAL300025563566	0	36	-1.0	-47.99	316.94	0.72	-47.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2S1	REAL300025563567	0	30	-1.0	-43.00	303.69	3.55	-39.45
COC1=CC=CC(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025563568	0	41	-1.0	-45.69	360.44	2.03	-43.66
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCOCC1	REAL300025563569	0	44	-1.0	-48.57	348.28	3.20	-45.37
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300025563570	0	37	-1.0	-46.79	337.75	4.68	-42.11
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563571	0	43	-1.0	-54.36	367.67	5.62	-48.74
N#CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025563572	0	32	-1.0	-52.96	317.34	3.02	-49.94
CC1=CC=C(Br)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563573	0	33	-1.0	-46.83	306.37	3.37	-43.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300025563574	0	36	-1.0	-50.50	325.99	4.27	-46.23
O=C(CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025563575	0	37	-1.0	-55.00	351.11	3.25	-51.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CN(C)N=C1	REAL300025563576	0	36	-1.0	-46.43	318.54	-0.57	-47.00
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300025563577	0	34	-1.0	-49.06	310.09	3.98	-45.08
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025563578	0	33	-1.0	-46.73	307.55	3.38	-43.35
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NCCC1=NC(=O)O[N-]1	REAL300025563579	0	36	-1.0	-55.36	318.94	1.30	-54.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(S(=O)(=O)CC2CC2)=C1F	REAL300025563580	0	40	-1.0	-51.29	371.24	1.45	-49.84
O=C(CC1COC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025563581	0	36	-1.0	-53.34	311.08	2.20	-51.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC(F)F)=C1	REAL300025563582	0	30	-1.0	-49.32	281.79	-1.02	-50.34
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1OC	REAL300025563583	0	38	-1.0	-50.06	344.13	1.99	-48.07
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025563584	0	44	-1.0	-50.21	356.84	0.41	-49.80
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1F	REAL300025563585	0	33	-1.0	-51.09	305.67	2.26	-48.83
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC=C1Cl	REAL300025563586	0	34	-1.0	-44.72	302.08	3.90	-40.82
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(CC2)C1	REAL300025563587	0	48	-1.0	-49.67	388.39	2.90	-46.77
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563588	0	42	-1.0	-51.86	354.57	2.19	-49.67
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1Br	REAL300025563589	0	30	-1.0	-43.40	292.87	2.68	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300025563590	0	37	-1.0	-50.86	334.83	0.85	-50.01
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025563591	0	31	-1.0	-46.86	329.58	3.81	-43.05
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025563592	0	42	-1.0	-60.48	362.71	1.68	-58.80
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)SC=C1	REAL300025563593	0	24	-1.0	-46.57	252.27	1.17	-45.40
COC1=CC=C(OC(F)(F)F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563594	0	35	-1.0	-47.98	316.57	1.87	-46.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC2=C1OC(F)(F)O2	REAL300025563595	0	33	-1.0	-45.47	298.71	1.32	-44.15
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025563596	0	34	-1.0	-48.86	313.47	2.07	-46.79
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563597	0	50	-1.0	-47.94	415.96	1.60	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C(Cl)=C1	REAL300025563598	0	31	-1.0	-44.98	307.42	1.28	-43.70
CN1N=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563599	0	30	-1.0	-42.45	285.05	0.24	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2	REAL300025563600	0	45	-1.0	-47.18	381.42	4.93	-42.25
COC(=O)C[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025563601	0	53	-1.0	-58.02	431.26	3.17	-54.85
CC(C)(C)C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563602	0	42	-1.0	-51.88	354.50	2.13	-49.75
CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025563603	0	33	-1.0	-43.20	298.82	3.40	-39.80
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025563604	0	30	-1.0	-48.58	289.69	3.10	-45.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CCN1CCOCC1	REAL300025563605	0	44	-1.0	-47.33	357.92	0.33	-47.00
N#CC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563606	0	28	-1.0	-52.12	281.93	2.40	-49.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(I)=N1	REAL300025563607	0	23	-1.0	-42.69	258.83	-0.45	-43.14
CC(C)(C)OC(=O)N1CC(O)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563608	0	42	-1.0	-48.38	350.03	-2.27	-50.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1	REAL300025563609	0	35	-1.0	-43.86	334.99	2.14	-41.72
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)N2N=NN=C2N1C	REAL300025563610	0	38	-1.0	-46.37	322.37	2.10	-44.27
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563611	0	55	-1.0	-46.67	410.79	4.75	-41.92
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563612	0	36	-1.0	-47.40	333.48	-0.17	-47.57
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)(C2=CC=CC(Cl)=C2)C1	REAL300025563613	0	40	-1.0	-44.62	341.93	4.83	-39.79
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025563614	0	36	-1.0	-44.53	313.79	3.38	-41.15
COCCN1C=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025563615	0	45	-1.0	-49.73	384.05	0.21	-49.52
CC(OCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563616	0	40	-1.0	-48.86	343.69	4.08	-44.78
C=CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563617	0	38	-1.0	-48.57	332.19	3.03	-45.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300025563618	0	30	-1.0	-46.03	298.66	-0.61	-46.64
N#CC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1Cl	REAL300025563619	0	39	-1.0	-50.39	358.74	3.29	-47.10
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025563620	0	37	-1.0	-58.02	330.47	-1.10	-59.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL300025563621	0	30	-1.0	-46.91	282.89	0.64	-46.27
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025563622	0	41	-1.0	-50.07	343.35	3.15	-46.92
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025563623	0	47	-1.0	-50.22	402.52	4.36	-45.86
CCOC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563624	0	37	-1.0	-48.27	326.82	1.44	-46.83
CC(=O)NC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC(C)C	REAL300025563625	0	45	-1.0	-48.57	356.62	1.80	-46.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300025563626	0	37	-1.0	-51.77	333.37	4.53	-47.24
CCOCC1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563627	0	36	-1.0	-45.00	324.93	0.03	-44.97
O=C(CC1=NC(C2=CC=CC=C2)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025563628	0	36	-1.0	-51.34	331.03	2.95	-48.39
CC=CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563629	0	41	-1.0	-49.21	353.90	3.90	-45.31
CN(C)C1=NC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563630	0	31	-1.0	-48.42	299.36	0.89	-47.53
CC(=O)NC1=CC([N+](=O)[O-])=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563631	0	36	-1.0	-44.82	334.38	1.90	-42.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1	REAL300025563632	0	41	-1.0	-45.17	369.17	3.87	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL300025563633	0	40	-1.0	-48.04	351.64	3.95	-44.09
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL300025563634	0	39	-1.0	-48.33	321.99	1.86	-46.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C([N+](=O)[O-])C=C2)=NN1	REAL300025563635	0	36	-1.0	-46.82	332.94	2.24	-44.58
CC1=NN=NN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025563636	0	35	-1.0	-51.22	315.13	1.64	-49.58
O=C(CC1=C(C2=CC=CC=C2)N=CS1)NCCC1=NC(=O)O[N-]1	REAL300025563637	0	36	-1.0	-48.96	323.89	2.62	-46.34
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563638	0	48	-1.0	-43.01	373.48	1.69	-41.32
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563639	0	43	-1.0	-56.91	381.68	2.21	-54.70
CC(C)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025563640	0	39	-1.0	-52.39	338.95	2.53	-49.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1CC(F)(F)F	REAL300025563641	0	30	-1.0	-45.83	283.45	0.56	-45.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)C=C1F	REAL300025563642	0	27	-1.0	-44.69	283.93	2.69	-42.00
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563643	0	36	-1.0	-50.55	322.74	2.88	-47.67
CC(OCC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563644	0	37	-1.0	-50.47	328.60	3.37	-47.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1C=C(Br)C=N1	REAL300025563645	0	33	-1.0	-54.17	317.57	2.99	-51.18
CCN(CC)C1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)OC2=C1	REAL300025563646	0	46	-1.0	-49.41	384.95	5.30	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(=O)N1	REAL300025563647	0	30	-1.0	-51.26	285.71	-0.58	-51.84
O=C(CCC1=CC=CC=C1N1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025563648	0	46	-1.0	-46.54	374.67	2.46	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(F)C(Br)=C1	REAL300025563649	0	26	-1.0	-43.26	265.33	0.29	-42.97
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563650	0	40	-1.0	-47.23	344.06	2.57	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1F	REAL300025563651	0	27	-1.0	-47.65	275.63	2.72	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Br	REAL300025563652	0	27	-1.0	-42.41	282.12	2.73	-39.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300025563653	0	27	-1.0	-43.22	295.29	2.75	-40.47
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563654	0	38	-1.0	-63.59	331.36	1.39	-62.20
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300025563655	0	41	-1.0	-61.20	342.00	3.74	-57.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025563656	0	32	-1.0	-51.81	306.66	4.22	-47.59
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Br)CCCCC1	REAL300025563657	0	43	-1.0	-47.21	345.93	5.13	-42.08
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL300025563658	0	37	-1.0	-50.08	332.64	1.17	-48.91
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC1C1=CC=CC=C1	REAL300025563659	0	40	-1.0	-46.99	327.38	4.69	-42.30
CCN1C(=O)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025563660	0	43	-1.0	-50.70	359.50	1.97	-48.73
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563661	0	40	-1.0	-44.24	326.32	-0.77	-45.01
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300025563662	0	43	-1.0	-46.96	332.36	4.83	-42.13
O=C(NCCC1=NC(=O)O[N-]1)C1COCCN1C(=O)OCC1=CC=CC=C1	REAL300025563663	0	46	-1.0	-54.12	385.51	2.61	-51.51
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563664	0	49	-1.0	-46.72	387.74	3.04	-43.68
CC1=NSC(NC2CC2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563665	0	35	-1.0	-44.22	319.91	0.25	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL300025563666	0	32	-1.0	-47.63	290.84	2.00	-45.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300025563667	0	34	-1.0	-47.04	328.38	4.64	-42.40
CC1=NN(C(C)C)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563668	0	42	-1.0	-51.71	351.27	2.53	-49.18
CSC1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025563669	0	29	-1.0	-42.36	295.03	0.77	-41.59
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300025563670	0	40	-1.0	-47.07	349.74	4.98	-42.09
COC1=CC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563671	0	34	-1.0	-48.00	309.64	3.11	-44.89
CCC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563672	0	30	-1.0	-44.15	298.07	2.67	-41.48
O=C(CC1=CSC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025563673	0	27	-1.0	-45.79	277.29	1.70	-44.09
CCCN1C(=O)C2=CC=CC=C2N2C(=O)CCC21C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563674	0	49	-1.0	-52.80	395.70	3.73	-49.07
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300025563675	0	35	-1.0	-46.34	318.02	1.40	-44.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300025563676	0	39	-1.0	-45.33	347.35	2.50	-42.83
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(OCC2CCCO2)CC1	REAL300025563677	0	48	-1.0	-54.60	373.83	1.98	-52.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300025563678	0	36	-1.0	-50.62	317.75	-2.44	-53.06
CC1=CC(CC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025563679	0	42	-1.0	-43.95	358.38	5.05	-38.90
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL300025563680	0	42	-1.0	-48.80	335.14	5.06	-43.74
CN(C)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563681	0	35	-1.0	-44.43	317.07	2.56	-41.87
CN(C)C1=CC(C#N)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563682	0	36	-1.0	-45.86	315.19	2.30	-43.56
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=NN(C)C=C1	REAL300025563683	0	36	-1.0	-48.33	321.73	0.66	-47.67
C[NH+](C)CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563684	0	42	0.0	-77.38	344.14	4.28	-73.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300025563685	0	32	-1.0	-46.92	301.66	3.24	-43.68
O=C(NCCC1=NC(=O)O[N-]1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300025563686	0	43	-1.0	-40.49	349.90	0.76	-39.73
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300025563687	0	44	-1.0	-50.22	354.70	3.27	-46.95
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)C=C1	REAL300025563688	0	34	-1.0	-46.63	325.97	3.32	-43.31
COC1=CC=CC(C(=O)CCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563689	0	42	-1.0	-60.37	360.52	2.93	-57.44
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025563690	0	35	-1.0	-49.89	309.98	1.43	-48.46
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025563691	0	37	-2.0	-112.32	341.40	2.20	-110.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300025563692	0	34	-2.0	-107.25	328.23	1.29	-105.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300025563693	0	34	-2.0	-107.87	321.25	0.81	-107.06
COC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025563694	0	33	-1.0	-48.61	307.04	2.02	-46.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(F)(F)F)=N1	REAL300025563695	0	29	-1.0	-41.18	288.78	0.47	-40.71
COC(=O)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563696	0	33	-1.0	-47.68	319.36	2.80	-44.88
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCCC1=NC(=O)O[N-]1	REAL300025563697	0	34	-1.0	-50.81	312.50	2.63	-48.18
COC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025563698	0	35	-1.0	-46.78	318.15	1.40	-45.38
N#CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1C(F)(F)F	REAL300025563699	0	30	-1.0	-45.22	296.39	1.05	-44.17
CC(C)C(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025563700	0	39	-1.0	-50.44	336.15	1.60	-48.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300025563701	0	31	-1.0	-46.24	288.67	1.20	-45.04
CCC1=NC(C(C)C)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563702	0	41	-1.0	-45.43	333.26	2.95	-42.48
CC1CCCN(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=N2)C1	REAL300025563703	0	44	-1.0	-46.91	356.50	2.30	-44.61
CC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563704	0	50	-1.0	-44.67	402.05	3.52	-41.15
CN1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025563705	0	27	-1.0	-48.44	268.16	-0.04	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1Cl	REAL300025563706	0	29	-1.0	-53.77	279.74	2.58	-51.19
CN(CC=CC(=O)NCCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL300025563707	0	35	-1.0	-47.17	312.75	0.05	-47.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCOCC2)C(Cl)=C1	REAL300025563708	0	41	-1.0	-45.49	361.04	0.20	-45.29
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025563709	0	36	-1.0	-47.99	309.89	1.43	-46.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NOC3=CC=C(Cl)C=C32)CC1	REAL300025563710	0	44	-1.0	-49.38	379.26	3.58	-45.80
CC1(C)C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025563711	0	38	-1.0	-49.91	326.53	1.04	-48.87
NS(=O)(=O)C1=NNC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563712	0	29	-1.0	-57.88	274.38	-5.97	-63.85
CC(C)(C)CCC1(O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563713	0	46	-1.0	-48.06	359.25	1.07	-46.99
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL300025563714	0	33	-1.0	-46.97	297.35	-0.22	-47.19
CS(=O)(=O)CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025563715	0	39	-1.0	-53.52	345.38	0.23	-53.29
CC1(C)OC(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025563716	0	37	-1.0	-63.92	318.01	4.13	-59.79
CC(C)(O)C(OC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563717	0	41	-1.0	-46.32	331.25	1.56	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1	REAL300025563718	0	36	-1.0	-45.86	336.29	3.42	-42.44
CCOC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025563719	0	35	-1.0	-43.92	317.33	1.40	-42.52
CC1=CC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025563720	0	32	-1.0	-44.63	302.64	3.35	-41.28
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025563721	0	37	-1.0	-49.36	337.74	3.52	-45.84
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@H]2C1	REAL300025563722	0	45	-1.0	-47.01	368.88	2.78	-44.23
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1OCCC2=C1C=CS2	REAL300025563723	0	38	-1.0	-49.28	325.19	3.16	-46.12
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563724	0	45	-1.0	-50.58	361.12	3.11	-47.47
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(CN2CCCC2)=C1	REAL300025563725	0	38	-1.0	-43.44	324.40	-0.47	-43.91
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563726	0	47	-1.0	-46.36	388.02	2.72	-43.64
CC(O)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025563727	0	34	-1.0	-43.77	307.61	0.28	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL300025563728	0	27	-1.0	-42.88	278.38	2.61	-40.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=NC=C1Cl	REAL300025563729	0	26	-1.0	-43.58	273.76	0.50	-43.08
C#CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563730	0	36	-1.0	-46.92	321.84	3.11	-43.81
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025563731	0	27	-1.0	-45.33	271.27	0.14	-45.19
O=C(COC1=CC=C(Cl)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563732	0	31	-1.0	-47.96	299.44	2.67	-45.29
COC1=CC=CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025563733	0	37	-1.0	-47.10	330.14	0.53	-46.57
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)SC(Cl)=N1	REAL300025563734	0	23	-1.0	-41.99	261.57	-0.27	-42.26
O=C(CCN1C(=O)CCNC1=S)NCCC1=NC(=O)O[N-]1	REAL300025563735	0	35	-1.0	-58.65	314.88	0.42	-58.23
NS(=O)(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563736	0	37	-1.0	-50.68	316.72	-4.44	-55.12
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563737	0	34	-1.0	-48.58	309.02	-4.67	-53.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=NC=CN2)=C1	REAL300025563738	0	33	-1.0	-53.71	299.10	0.22	-53.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC(=O)C1CC1	REAL300025563739	0	38	-1.0	-47.07	326.04	2.46	-44.61
O=C(CC1CCCS(=O)(=O)C1)NCCC1=NC(=O)O[N-]1	REAL300025563740	0	36	-1.0	-54.63	306.58	-1.48	-56.11
COCCOCCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025563741	0	41	-1.0	-47.99	357.81	-1.15	-49.14
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563742	0	40	-1.0	-48.03	342.78	4.34	-43.69
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=C(Cl)C=CC2=N1	REAL300025563743	0	36	-1.0	-45.62	333.36	3.61	-42.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1	REAL300025563744	0	37	-1.0	-44.45	345.68	4.30	-40.15
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(Br)C=C21	REAL300025563745	0	33	-1.0	-42.96	318.30	4.17	-38.79
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300025563746	0	38	-1.0	-56.27	313.07	4.21	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300025563747	0	32	-1.0	-47.22	296.43	2.04	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Br)=C1	REAL300025563748	0	33	-1.0	-44.62	307.72	4.31	-40.31
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300025563749	0	41	-1.0	-48.63	343.96	3.57	-45.06
NC(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563750	0	37	-1.0	-51.17	323.87	-0.19	-51.36
CC(C(=O)NCCC1=NC(=O)O[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300025563751	0	47	-1.0	-48.28	370.97	2.95	-45.33
CN1N=CC(I)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563752	0	27	-1.0	-42.80	276.66	0.25	-42.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(C#N)C=C12	REAL300025563753	0	34	-1.0	-45.67	317.88	3.95	-41.72
CC(C)(C)OC(=O)N1CCCC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563754	0	50	-1.0	-56.00	395.32	2.97	-53.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(Br)=CN=C2S1	REAL300025563755	0	27	-1.0	-42.26	285.05	1.89	-40.37
COCCOCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563756	0	41	-1.0	-48.81	353.85	1.50	-47.31
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563757	0	42	-1.0	-47.28	372.90	5.66	-41.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)CCCC2=C1	REAL300025563758	0	36	-1.0	-46.91	308.15	3.15	-43.76
CC1=CC=C(Br)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563759	0	33	-1.0	-44.36	304.11	2.98	-41.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1Br	REAL300025563760	0	27	-1.0	-49.23	265.28	2.20	-47.03
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025563761	0	47	-1.0	-46.98	400.66	2.84	-44.14
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563762	0	38	-1.0	-44.54	339.66	1.99	-42.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL300025563763	0	33	-1.0	-47.67	299.43	0.94	-46.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300025563763	1	34	0.0	-72.85	302.80	1.39	-71.46
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(CN2C=CC=N2)=C1	REAL300025563764	0	33	-1.0	-49.50	306.32	0.64	-48.86
CC1=CC=C2SN=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025563765	0	32	-1.0	-45.42	295.35	2.21	-43.21
NC1=CC=CC=C1S(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563766	0	37	-1.0	-50.84	332.37	-3.78	-54.62
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025563767	0	33	-1.0	-45.15	305.15	3.38	-41.77
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025563768	0	36	-1.0	-44.82	329.77	4.12	-40.70
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563769	0	40	-1.0	-47.47	338.85	2.53	-44.94
COC(=O)C12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025563770	0	43	-1.0	-47.76	342.37	3.14	-44.62
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025563771	0	42	-1.0	-52.89	369.08	4.69	-48.20
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300025563772	0	44	-1.0	-52.73	354.14	3.40	-49.33
O=C(CC1=C(Br)C=CS1)NCCC1=NC(=O)O[N-]1	REAL300025563773	0	27	-1.0	-45.56	277.61	1.87	-43.69
COC1=CC=CC(OCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563774	0	38	-1.0	-46.67	327.29	1.15	-45.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCCCC2)C(Cl)=C1	REAL300025563775	0	43	-1.0	-44.39	370.09	2.59	-41.80
COC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025563776	0	47	-1.0	-48.14	360.84	4.66	-43.48
CN(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025563777	0	42	-1.0	-48.18	345.36	3.63	-44.55
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC2=CC=CN=C2)SC=N1	REAL300025563778	0	34	-1.0	-47.24	312.85	-0.36	-47.60
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025563779	0	38	-1.0	-52.88	324.55	1.46	-51.42
CN1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025563780	0	43	-1.0	-50.15	349.09	1.01	-49.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025563780	1	44	0.0	-73.97	356.45	3.88	-70.09
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025563780	1	44	0.0	-73.84	356.66	3.85	-69.99
CC(C)(C)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025563781	0	39	-1.0	-44.27	320.93	0.80	-43.47
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025563782	0	51	-1.0	-48.82	397.78	4.65	-44.17
CN(C(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025563783	0	47	-1.0	-50.03	372.50	3.02	-47.01
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025563784	0	32	-1.0	-49.02	306.17	2.74	-46.28
CC1=CC(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025563785	0	36	-1.0	-52.65	314.12	1.21	-51.44
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Br)CC1	REAL300025563786	0	37	-1.0	-47.86	330.13	5.34	-42.52
CS(=O)(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025563787	0	37	-1.0	-44.60	307.61	-3.18	-47.78
CCC1C(C(=O)NCCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025563788	0	50	-1.0	-50.74	385.19	3.24	-47.50
CC1=CC=C(C2=CSC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N2C=CC=C2)C=C1	REAL300025563789	0	45	-1.0	-49.13	399.49	8.19	-40.94
CC(C)OC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025563790	0	40	-1.0	-47.89	336.45	3.86	-44.03
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025563791	0	39	-1.0	-48.05	324.99	1.82	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C(=O)NC1=CC=C(Cl)C(F)=C1	REAL300025563792	0	31	-1.0	-42.08	303.36	0.35	-41.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300025563793	0	29	-1.0	-51.53	303.23	4.41	-47.12
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025563794	0	42	-1.0	-57.22	372.28	4.92	-52.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL300025563795	0	40	-1.0	-45.47	326.79	4.70	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Cl)C1	REAL300025563796	0	39	-1.0	-45.21	333.86	2.28	-42.93
CC1=CC=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025563797	0	33	-1.0	-44.91	303.76	3.61	-41.30
O=C(CCCC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025563798	0	36	-1.0	-48.23	323.51	4.18	-44.05
CC1=CC(=O)C=C(C)N1CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563799	0	42	-1.0	-63.50	347.26	3.18	-60.32
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL300025563800	0	39	-1.0	-45.80	325.66	1.77	-44.03
COC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=CO1	REAL300025563801	0	36	-1.0	-52.29	327.36	1.75	-50.54
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CCCC1	REAL300025563802	0	39	-1.0	-44.79	317.76	2.96	-41.83
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025563803	0	39	-1.0	-43.45	326.76	4.07	-39.38
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563804	0	48	-1.0	-51.64	395.80	6.22	-45.42
C=CC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)CC1	REAL300025563805	0	48	-1.0	-53.43	381.93	4.10	-49.33
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)NC1=CC=CC=C1	REAL300025563806	0	43	-1.0	-58.00	360.10	2.43	-55.57
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300025563807	0	38	-1.0	-48.69	319.36	0.43	-48.26
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=N1	REAL300025563808	0	32	-1.0	-51.56	312.97	-2.32	-53.88
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025563809	0	36	-1.0	-54.97	327.07	1.27	-53.70
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563810	0	54	-1.0	-52.15	424.62	4.57	-47.58
CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563811	0	49	-1.0	-48.12	386.20	0.36	-47.76
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025563812	0	26	-1.0	-45.02	270.25	-0.03	-45.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025563813	0	35	-1.0	-43.25	331.79	3.41	-39.84
CCOC(=O)NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=CS1	REAL300025563814	0	34	-1.0	-44.58	316.21	-1.76	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL300025563815	0	29	-1.0	-47.42	278.99	0.89	-46.53
CC(C)(C)OC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)O	REAL300025563816	0	47	-1.0	-44.79	372.70	-2.34	-47.13
CS(=O)(=O)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025563817	0	31	-1.0	-50.19	297.16	-4.68	-54.87
CC1=CSC(NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025563818	0	38	-1.0	-48.04	340.19	2.55	-45.49
NC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NC(N2CCOCC2)=N1	REAL300025563819	0	39	-1.0	-46.87	335.00	0.15	-46.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL300025563820	0	32	-1.0	-45.03	302.37	-2.30	-47.33
CC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025563821	0	43	-1.0	-44.96	334.95	4.69	-40.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CCOCC2)N=N1	REAL300025563822	0	37	-1.0	-44.76	317.12	-1.30	-46.06
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563823	0	41	-1.0	-58.46	353.53	-1.52	-59.98
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563824	0	46	-1.0	-47.16	376.71	1.39	-45.77
CC(C)CC(=O)NC(CC1=CN=CN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563824	1	46	-1.0	-48.16	376.09	0.73	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300025563825	0	41	-1.0	-52.30	337.33	1.02	-51.28
CN1C=C(C2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025563826	0	36	-1.0	-53.06	315.01	1.00	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300025563827	0	36	-1.0	-50.23	313.67	2.84	-47.39
CC1=CC=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563828	0	30	-1.0	-46.54	286.59	2.46	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL300025563829	0	32	-1.0	-46.70	299.21	2.51	-44.19
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025563830	0	44	0.0	-74.39	342.90	3.53	-70.86
COC1=C(Cl)C=C2NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025563831	0	35	-1.0	-53.92	321.17	1.36	-52.56
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL300025563832	0	37	-1.0	-44.37	323.96	3.47	-40.90
CC(C)(C)OC(=O)NC(C)(C)C1=NOC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563833	0	49	-1.0	-49.99	389.61	0.48	-49.51
CC1=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL300025563834	0	33	-1.0	-45.24	302.70	3.58	-41.66
CN1N=NC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563835	0	26	-1.0	-43.45	265.01	-1.71	-45.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL300025563836	0	30	-1.0	-44.71	298.25	2.50	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025563837	0	43	0.0	-66.21	348.51	4.40	-61.81
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025563837	1	43	0.0	-66.26	348.16	4.41	-61.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)S1	REAL300025563838	0	23	-1.0	-44.97	252.36	-0.67	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL300025563839	0	33	-1.0	-59.02	289.76	0.94	-58.08
O=C(CCOC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025563840	0	40	-1.0	-46.82	343.81	4.13	-42.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)C(F)(F)F	REAL300025563841	0	33	-1.0	-53.49	307.74	0.65	-52.84
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563842	0	46	-1.0	-43.58	366.89	1.03	-42.55
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025563843	0	51	-1.0	-50.14	406.28	1.66	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Br	REAL300025563844	0	32	-1.0	-46.40	302.93	2.62	-43.78
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563845	0	40	-1.0	-49.78	352.88	5.45	-44.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL300025563846	0	33	-1.0	-49.54	303.32	0.57	-48.97
CCCC1=NN=C(SCC(=O)NCCC2=NC(=O)O[N-]2)N1N	REAL300025563847	0	38	-1.0	-49.45	344.94	1.29	-48.16
CC1C(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025563848	0	50	-1.0	-47.90	382.31	2.83	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300025563849	0	40	-1.0	-44.42	323.65	3.36	-41.06
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025563850	0	35	-1.0	-51.86	312.14	3.41	-48.45
CC1(C)COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025563851	0	38	-1.0	-46.83	320.11	2.50	-44.33
COC1=CC=CC(CC2(C(=O)NCCC3=NC(=O)O[N-]3)CCCCC2)=C1	REAL300025563852	0	50	-1.0	-52.74	385.89	4.86	-47.88
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC(F)=CC=C2F)=N1	REAL300025563853	0	42	-1.0	-54.67	375.04	5.00	-49.67
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC(C2=CC=CC=C2)O1	REAL300025563854	0	39	-1.0	-52.18	332.10	2.85	-49.33
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300025563855	0	36	-1.0	-48.11	329.95	3.40	-44.71
CC1=CC(F)=CC=C1C1=NC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025563856	0	45	-1.0	-51.36	391.84	5.51	-45.85
COC1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C21	REAL300025563857	0	34	-1.0	-48.27	299.79	-0.45	-48.72
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300025563858	0	34	-2.0	-109.96	311.50	0.77	-109.19
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025563859	0	39	-1.0	-55.19	355.75	0.87	-54.32
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300025563860	0	46	-1.0	-51.30	373.12	6.08	-45.22
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCCCC1	REAL300025563861	0	46	-1.0	-52.98	362.80	5.62	-47.36
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025563862	0	44	-1.0	-49.94	367.66	1.46	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CS2)CCCCC1	REAL300025563863	0	43	-1.0	-48.72	347.64	4.69	-44.03
CC1=NC(Cl)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563864	0	29	-1.0	-41.51	286.66	1.29	-40.22
CC1=NOC(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=C1	REAL300025563865	0	38	-1.0	-48.47	338.70	0.40	-48.07
CC1=CC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025563866	0	39	-1.0	-46.15	338.05	4.32	-41.83
CCOC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563867	0	36	-1.0	-47.23	319.92	3.14	-44.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC(F)=CC=C21	REAL300025563868	0	33	-1.0	-43.09	303.43	3.63	-39.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=C(Br)C=CC=C21	REAL300025563869	0	33	-1.0	-47.58	318.05	-0.37	-47.95
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025563869	1	32	-2.0	-94.56	314.49	0.41	-94.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300025563870	0	35	-1.0	-45.48	310.53	2.28	-43.20
COC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025563871	0	37	-1.0	-46.91	328.21	-0.77	-47.68
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563872	0	41	-1.0	-46.81	343.27	3.82	-42.99
CN1C(CC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CC=C1	REAL300025563873	0	39	-1.0	-58.29	337.10	3.55	-54.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=N1	REAL300025563874	0	33	-1.0	-55.68	296.48	0.51	-55.17
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=N2)NN=C1	REAL300025563874	1	33	-1.0	-51.69	294.93	0.50	-51.19
CC(=O)C1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=C(C)C=C2O1	REAL300025563875	0	41	-1.0	-51.02	357.20	3.85	-47.17
O=C(CCSC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563876	0	34	-1.0	-44.49	324.85	3.99	-40.50
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563877	0	44	-1.0	-47.52	374.48	2.94	-44.58
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(F)C=C2)CCCCC1	REAL300025563878	0	46	-1.0	-45.92	383.21	2.21	-43.71
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CCCCC1	REAL300025563879	0	46	-1.0	-45.06	373.85	2.52	-42.54
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=CC=C2)CCOCC1	REAL300025563880	0	44	-1.0	-45.32	365.93	0.15	-45.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL300025563881	0	29	-1.0	-44.58	277.17	0.73	-43.85
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C=C1F	REAL300025563882	0	31	-1.0	-43.01	293.31	0.97	-42.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1	REAL300025563883	0	40	-1.0	-49.21	366.72	6.70	-42.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Br	REAL300025563884	0	26	-1.0	-42.68	271.83	0.82	-41.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC(Cl)=C2	REAL300025563885	0	28	-1.0	-43.63	284.43	1.18	-42.45
COC(C)(C)C1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563886	0	39	-1.0	-43.66	336.29	0.21	-43.45
CC1=CC(C(F)(F)F)=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563887	0	33	-1.0	-52.39	311.27	1.09	-51.30
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563888	0	33	-1.0	-52.17	323.98	1.48	-50.69
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300025563889	0	34	-1.0	-47.39	317.13	4.18	-43.21
CC(C)(C)OC(=O)NCCCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025563890	0	52	-1.0	-51.76	435.46	0.03	-51.73
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563891	0	48	-1.0	-51.64	395.80	6.22	-45.42
CC(C)(C)OC(=O)NCCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563892	0	50	-1.0	-50.79	404.10	2.69	-48.10
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=NC2=C(N)N=CN=C21	REAL300025563893	0	36	-1.0	-50.56	317.65	1.15	-49.41
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025563894	0	41	-1.0	-46.01	345.48	2.08	-43.93
CC1(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)OCCO1	REAL300025563895	0	35	-1.0	-47.67	319.65	-1.00	-48.67
O=C(CCCC(O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025563896	0	40	-1.0	-49.19	339.63	1.44	-47.75
CC(C)(C)OC(=O)NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL300025563897	0	41	-1.0	-45.93	344.88	-0.04	-45.97
O=C(NCCC1=NC(=O)O[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL300025563898	0	44	-1.0	-51.02	354.70	2.23	-48.79
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563899	0	38	-1.0	-49.21	325.34	2.87	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CN=C1	REAL300025563900	0	41	-1.0	-48.44	349.22	2.74	-45.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1Cl	REAL300025563901	0	42	-1.0	-47.17	368.80	4.96	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=N1	REAL300025563902	0	26	-1.0	-42.01	268.33	0.91	-41.10
CC(C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025563903	0	36	-1.0	-46.33	318.26	3.71	-42.62
CC1=CC=C(OC2=CC=CC=C2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563904	0	44	-1.0	-49.91	376.08	5.68	-44.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2CC2)C=C1	REAL300025563905	0	40	-1.0	-51.74	357.00	1.54	-50.20
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563906	0	40	-1.0	-46.55	339.74	4.25	-42.30
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025563907	0	35	-1.0	-62.83	328.21	0.74	-62.09
CC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025563908	0	32	-1.0	-51.23	305.39	3.97	-47.26
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300025563909	0	37	-1.0	-51.90	329.15	4.37	-47.53
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300025563910	0	37	-1.0	-46.15	334.57	4.57	-41.58
O=C(CC1CS(=O)(=O)C2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025563911	0	38	-1.0	-58.12	339.18	-0.11	-58.23
O=C(COCC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563912	0	34	-1.0	-50.82	319.14	3.12	-47.70
CC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025563913	0	40	-1.0	-43.50	350.60	3.37	-40.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CO1	REAL300025563914	0	24	-1.0	-43.45	249.24	0.18	-43.27
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563915	0	41	-1.0	-52.44	367.12	5.61	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NC=CS2)C=C1F	REAL300025563916	0	35	-1.0	-51.73	322.85	2.05	-49.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(F)=C2)C=N1	REAL300025563917	0	37	-1.0	-44.78	337.36	2.80	-41.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1NC(N)=O	REAL300025563918	0	37	-1.0	-51.13	315.76	-2.06	-53.19
CC1=CC=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025563919	0	40	-1.0	-44.21	349.40	3.35	-40.86
O=C(CC1=CC=CC=C1OC1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025563920	0	44	-1.0	-48.11	361.80	4.48	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1	REAL300025563921	0	37	-1.0	-44.29	347.68	3.25	-41.04
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025563922	0	38	-1.0	-47.87	344.71	3.13	-44.74
CC1=CC=CC(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025563923	0	40	-1.0	-44.09	352.35	3.40	-40.69
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563924	0	39	-1.0	-43.95	335.65	4.39	-39.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL300025563925	0	30	-1.0	-58.96	286.50	0.80	-58.16
CC(C)(C)OC(=O)NCC1OCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563926	0	48	-1.0	-56.70	386.65	-1.05	-57.75
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)OC(C)(C)C)=C1	REAL300025563927	0	45	-1.0	-44.87	374.36	4.90	-39.97
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300025563928	0	34	-1.0	-45.59	317.13	4.19	-41.40
CC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025563929	0	27	-1.0	-45.47	274.93	1.95	-43.52
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563930	0	47	-1.0	-46.08	374.00	1.45	-44.63
COC(=O)C1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)OC=N1	REAL300025563931	0	35	-1.0	-51.17	317.85	-1.68	-52.85
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCCN21	REAL300025563932	0	34	-1.0	-47.25	312.46	2.04	-45.21
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563933	0	38	-1.0	-45.43	337.21	3.15	-42.28
NS(=O)(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025563934	0	29	-1.0	-51.12	283.29	-3.36	-54.48
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1S(N)(=O)=O	REAL300025563935	0	40	-1.0	-56.41	360.19	-2.50	-58.91
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563936	0	47	-1.0	-48.49	383.20	-3.40	-51.89
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563937	0	32	-2.0	-104.44	302.77	-3.96	-108.40
NS(=O)(=O)C1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563937	1	33	-1.0	-52.02	306.32	-4.97	-56.99
NS(=O)(=O)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563938	0	36	-1.0	-55.90	331.07	-2.94	-58.84
NS(=O)(=O)C1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563939	0	36	-1.0	-53.69	340.66	-2.37	-56.06
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025563940	0	32	-1.0	-50.13	310.56	-2.98	-53.11
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025563941	0	35	-1.0	-48.08	326.25	0.99	-47.09
C[N@@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025563942	0	43	0.0	-76.12	347.64	4.22	-71.90
C[N@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025563942	1	43	0.0	-70.45	346.25	4.33	-66.12
CC(C)[NH+]1CCN(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563943	0	47	0.0	-66.43	358.85	1.13	-65.30
CC(C)N1CC[NH+](CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563943	1	47	0.0	-66.40	355.17	0.93	-65.47
CCOC(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)OCC	REAL300025563944	0	44	-1.0	-47.97	373.80	0.98	-46.99
CCC1(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)COC1	REAL300025563945	0	40	-1.0	-47.12	337.17	-0.61	-47.73
CC(C)[NH+]1CCN(CCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563946	0	50	0.0	-65.13	380.35	1.94	-63.19
CC(C)N1CC[NH+](CCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563946	1	50	0.0	-67.54	376.67	1.72	-65.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL300025563947	0	28	-1.0	-41.28	275.10	-1.05	-42.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1	REAL300025563948	0	36	-1.0	-46.07	357.00	2.64	-43.43
CC(C)(C)OC(=O)N1CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563949	0	41	-1.0	-59.18	338.44	1.58	-57.60
CNC1=NC=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025563950	0	36	-1.0	-52.84	313.12	1.75	-51.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(N2CCOCC2)=C1	REAL300025563951	0	40	-1.0	-44.66	333.69	0.42	-44.24
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025563952	0	27	-1.0	-44.68	269.21	-0.25	-44.93
COC1=CC(Cl)=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563953	0	31	-1.0	-48.42	293.49	1.40	-47.02
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563954	0	37	-1.0	-47.61	328.78	3.36	-44.25
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025563955	0	37	-1.0	-55.08	326.67	2.64	-52.44
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563956	0	40	-1.0	-44.40	350.74	3.30	-41.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCN21	REAL300025563957	0	31	-1.0	-50.76	287.88	1.56	-49.20
CN1C=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=N1	REAL300025563958	0	34	-1.0	-47.33	312.18	1.18	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=CC=C3)N2C1	REAL300025563959	0	43	-1.0	-50.75	356.58	4.84	-45.91
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025563960	0	34	-1.0	-49.83	316.63	2.62	-47.21
CC1=CC=CC(C2=NN=C3CCC(C(=O)NCCC4=NC(=O)O[N-]4)CN32)=C1	REAL300025563961	0	46	-1.0	-50.70	378.15	5.51	-45.19
N#CC1=C(Br)C=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563962	0	32	-1.0	-60.62	316.76	3.01	-57.61
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563963	0	37	-1.0	-45.28	323.45	2.83	-42.45
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025563964	0	49	-1.0	-49.47	413.96	-0.75	-50.22
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563965	0	56	-1.0	-43.27	419.72	2.72	-40.55
CC1=CC(N(C)C)=CC(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563966	0	44	-1.0	-48.93	354.42	3.68	-45.25
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563967	0	37	-1.0	-45.87	334.07	4.26	-41.61
CCC(O)(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025563968	0	40	-1.0	-45.25	324.21	1.89	-43.36
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C(Cl)C=CC=C12	REAL300025563969	0	34	-1.0	-44.13	311.42	2.67	-41.46
CN1N=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563970	0	27	-1.0	-43.34	270.19	-0.23	-43.57
CC1=CC=CC(CS(=O)(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563971	0	42	-1.0	-51.89	374.34	1.38	-50.51
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025563972	0	47	-1.0	-49.11	399.65	0.81	-48.30
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300025563973	0	34	-1.0	-44.66	327.76	4.54	-40.12
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1	REAL300025563974	0	44	-1.0	-48.43	380.16	3.96	-44.47
CN1C=C(C(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563975	0	46	-1.0	-47.60	398.50	6.70	-40.90
O=C(CC1CSC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025563976	0	36	-1.0	-52.02	320.63	3.56	-48.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL300025563977	0	40	-1.0	-48.60	346.10	5.99	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025563978	0	46	0.0	-68.09	363.22	5.29	-62.80
CC(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025563979	0	39	-1.0	-46.95	338.55	3.82	-43.13
CC1=CC=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025563980	0	36	-1.0	-45.18	316.20	1.96	-43.22
CCOC1=CC=C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563981	0	43	-1.0	-45.73	356.05	3.73	-42.00
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300025563982	0	36	-1.0	-48.83	324.07	4.24	-44.59
CC1(C)CC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025563983	0	41	-1.0	-46.86	333.16	3.29	-43.57
CCC(CC)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563984	0	43	-1.0	-45.93	348.05	3.78	-42.15
O=C(CC1=CC=CC=C1OC1CCOC1)NCCC1=NC(=O)O[N-]1	REAL300025563985	0	42	-1.0	-51.85	352.07	1.92	-49.93
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025563986	0	38	-1.0	-48.74	344.85	3.10	-45.64
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025563987	0	36	-1.0	-53.49	328.33	-0.02	-53.51
CS(=O)(=O)C1=CC=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563988	0	32	-1.0	-50.97	288.53	-1.59	-52.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=N1	REAL300025563989	0	39	-1.0	-44.10	335.25	2.48	-41.62
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300025563990	0	34	-1.0	-45.65	312.57	4.09	-41.56
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563991	0	38	-1.0	-49.89	324.22	2.92	-46.97
CCC1=CC=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025563992	0	39	-1.0	-45.22	335.09	2.72	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025563993	0	33	-1.0	-47.32	304.25	0.93	-46.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL300025563994	0	32	-1.0	-45.59	295.60	-0.54	-46.13
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025563995	0	26	-1.0	-39.79	277.11	1.14	-38.65
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025563996	0	30	-1.0	-41.56	306.12	3.16	-38.40
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=CC=C1	REAL300025563997	0	42	-1.0	-45.48	359.74	2.80	-42.68
CN(CCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025563998	0	53	-1.0	-45.78	421.67	5.23	-40.55
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025563999	0	46	-1.0	-50.92	381.58	0.91	-50.01
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300025564000	0	33	-1.0	-48.14	312.50	0.40	-47.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300025564001	0	32	-1.0	-43.25	309.95	2.31	-40.94
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL300025564002	0	47	-1.0	-43.95	372.08	1.37	-42.58
CC(C)=CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564003	0	44	-1.0	-49.47	371.26	4.47	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2	REAL300025564004	0	44	-1.0	-52.42	371.73	5.12	-47.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300025564005	0	40	-1.0	-51.10	351.20	1.41	-49.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL300025564006	0	33	-1.0	-50.38	312.80	2.65	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300025564007	0	33	-1.0	-52.04	301.35	0.45	-51.59
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL300025564008	0	41	-1.0	-48.85	325.16	2.59	-46.26
COC1=CC=C(Br)C=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564009	0	38	-1.0	-46.35	347.47	3.35	-43.00
COC1=CC=C2ON=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025564010	0	36	-1.0	-54.07	320.83	0.82	-53.25
O=C(CC1=NOC2=CC=C(F)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025564011	0	32	-1.0	-52.14	297.78	1.60	-50.54
COC1CCCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025564012	0	41	-1.0	-50.93	328.33	0.82	-50.11
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC=N1	REAL300025564013	0	43	-1.0	-44.52	371.51	0.04	-44.48
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C(C)NC(=O)OC(C)(C)C	REAL300025564014	0	52	-1.0	-49.94	399.44	2.57	-47.37
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564015	0	44	-1.0	-56.03	359.94	1.35	-54.68
CC(C)(C)OC(=O)NCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564016	0	47	-1.0	-52.26	383.90	1.08	-51.18
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564017	0	50	-1.0	-49.09	408.68	2.86	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2	REAL300025564018	0	44	-1.0	-46.95	371.68	5.03	-41.92
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2	REAL300025564019	0	41	-1.0	-55.07	365.33	4.75	-50.32
CC1=CC=C(F)C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025564020	0	44	-1.0	-52.35	380.44	5.37	-46.98
CC1=CC=CC(F)=C1N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025564021	0	44	-1.0	-50.03	374.29	5.40	-44.63
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2	REAL300025564022	0	41	-1.0	-50.75	356.58	4.53	-46.22
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564023	0	30	-1.0	-50.76	298.05	-1.86	-52.62
CN1N=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025564024	0	36	-1.0	-53.32	317.88	2.08	-51.24
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564025	0	35	-1.0	-44.34	303.70	3.40	-40.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC(Br)=CC=C2O1	REAL300025564026	0	32	-1.0	-44.84	314.60	2.41	-42.43
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1C=CC=N1	REAL300025564027	0	37	-1.0	-50.05	317.16	3.66	-46.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300025564028	0	40	-1.0	-49.52	349.35	3.07	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1CCOCC1	REAL300025564029	0	38	-1.0	-49.69	317.55	-0.62	-50.31
CC1CCC(C)(C=CC(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025564030	0	46	-1.0	-45.41	347.86	4.12	-41.29
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(SC2CCCC2)=N1	REAL300025564031	0	43	-1.0	-48.94	378.37	4.15	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025564032	0	30	-2.0	-103.21	286.03	2.13	-101.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1O	REAL300025564032	1	31	-1.0	-49.55	289.59	1.13	-48.42
CC(=O)NC(=CC1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564033	0	35	-1.0	-50.83	318.27	1.82	-49.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025564034	0	32	-2.0	-95.31	299.99	-0.79	-96.10
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CCC(=O)N1C1CC1	REAL300025564035	0	48	-1.0	-47.32	384.36	2.44	-44.88
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300025564036	0	37	-1.0	-46.55	318.88	3.83	-42.72
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025564037	0	44	-1.0	-50.17	362.00	1.55	-48.62
CCOC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025564038	0	39	-1.0	-48.49	340.71	3.92	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300025564039	0	47	-1.0	-47.70	383.31	5.47	-42.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300025564040	0	33	-1.0	-53.68	317.16	-0.53	-54.21
O=C(CC1=NSC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025564041	0	32	-1.0	-52.25	298.67	2.20	-50.05
COC1=C(Br)C=CC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564042	0	34	-1.0	-45.79	319.56	2.06	-43.73
O=C(CC1=NOC2=CC=C(Br)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025564043	0	32	-1.0	-51.67	312.65	2.16	-49.51
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025564044	0	37	-1.0	-46.00	332.16	4.25	-41.75
O=C(CCSC1=C2N=CNC2=NC=N1)NCCC1=NC(=O)O[N-]1	REAL300025564045	0	35	-1.0	-54.54	326.34	2.44	-52.10
CCOCN1N=C(C)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025564046	0	43	-1.0	-52.39	365.55	0.54	-51.85
CCOCN1N=C(C)C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025564047	0	49	-1.0	-49.34	396.52	1.59	-47.75
COC1=CC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2C=C1	REAL300025564048	0	34	-1.0	-47.94	298.38	1.16	-46.78
COC1=CC=CC(S(=O)CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564049	0	36	-1.0	-59.34	327.96	-0.41	-59.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1	REAL300025564050	0	40	-1.0	-46.61	350.79	3.84	-42.77
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564051	0	27	-1.0	-44.54	276.58	1.90	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2F)C2=C1CCC2	REAL300025564052	0	41	-1.0	-53.71	375.22	5.19	-48.52
CCC(CC1=CC=CC=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564053	0	42	-1.0	-46.83	334.84	4.65	-42.18
CC1=CC(F)=CC(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025564054	0	44	-1.0	-47.30	377.95	5.19	-42.11
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564055	0	36	-1.0	-53.05	318.85	5.19	-47.86
O=C(CCC1=CC=CC(OC(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564056	0	37	-1.0	-47.86	328.59	2.61	-45.25
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)O1	REAL300025564057	0	27	-1.0	-42.47	268.27	1.07	-41.40
CC(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564058	0	37	-1.0	-52.39	323.75	1.13	-51.26
C=C(Cl)CSC1=NC(C)=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564059	0	37	-1.0	-48.46	367.04	3.16	-45.30
COC(=O)N1CC2CCC1C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025564060	0	42	-1.0	-50.56	335.79	1.42	-49.14
COC(=O)N1CC2C=CC1C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025564061	0	40	-1.0	-56.86	328.48	2.27	-54.59
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300025564062	0	40	-1.0	-41.41	314.51	3.37	-38.04
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1	REAL300025564063	0	43	-1.0	-42.21	357.08	6.24	-35.97
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564064	0	47	-1.0	-50.28	387.85	1.05	-49.23
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564065	0	41	-1.0	-49.31	341.98	0.59	-48.72
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564066	0	43	-1.0	-49.07	363.84	4.59	-44.48
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025564067	0	40	-1.0	-45.52	332.11	4.50	-41.02
O=C(CC1=NN=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025564068	0	35	-1.0	-55.60	319.47	-1.82	-57.42
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025564069	0	30	-1.0	-43.76	304.57	3.10	-40.66
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(=O)C2=CC=CC=C21	REAL300025564070	0	36	-1.0	-45.74	305.45	2.64	-43.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL300025564071	0	28	-1.0	-42.65	288.72	1.31	-41.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(O)=C1OC(F)(F)F	REAL300025564072	0	32	-1.0	-52.16	296.69	0.38	-51.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025564073	0	26	-2.0	-86.58	272.62	-1.34	-87.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(I)C(O)=C1	REAL300025564073	1	27	-1.0	-44.66	276.19	-2.11	-46.77
CC(C)(C)OC(=O)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025564074	0	45	-1.0	-52.99	360.52	3.69	-49.30
CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCCC2=NC(=O)O[N-]2)COC1(C)C	REAL300025564075	0	54	-1.0	-53.77	423.25	1.83	-51.94
CC(CC(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025564076	0	33	-1.0	-44.76	306.58	1.27	-43.49
CN1N=C2C=C(Br)C=CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564077	0	33	-1.0	-43.56	316.40	1.99	-41.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL300025564078	0	29	-1.0	-52.85	291.83	1.65	-51.20
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564079	0	51	-1.0	-47.65	408.03	4.67	-42.98
CC(C)(C)OC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564080	0	50	-1.0	-47.32	386.30	3.69	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1OC(F)F	REAL300025564081	0	31	-1.0	-46.10	301.67	2.99	-43.11
COC1=CC(Br)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564082	0	31	-1.0	-45.74	306.68	3.18	-42.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025564083	0	32	-2.0	-81.02	301.48	1.37	-79.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300025564083	1	33	-1.0	-47.44	303.93	1.80	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300025564084	0	34	-1.0	-46.61	310.69	2.76	-43.85
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564085	0	32	-1.0	-50.69	296.64	2.88	-47.81
CC1=C([N+](=O)[O-])C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025564086	0	34	-1.0	-43.73	309.67	3.21	-40.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)SC1=NS(=O)(=O)CCN21	REAL300025564087	0	38	-1.0	-60.86	350.07	0.19	-60.67
O=C(CNS(=O)(=O)C1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025564088	0	34	-1.0	-53.22	317.03	-3.87	-57.09
CNC1=CC(I)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564089	0	32	-1.0	-42.93	300.76	1.79	-41.14
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564090	0	36	-1.0	-47.13	328.92	3.99	-43.14
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C	REAL300025564091	0	41	-1.0	-53.64	349.39	2.92	-50.72
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025564092	0	41	-1.0	-43.66	350.36	2.52	-41.14
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2F)C2=C1CCC2	REAL300025564093	0	41	-1.0	-51.34	368.66	5.11	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(F)=C2)C2=C1CCC2	REAL300025564094	0	41	-1.0	-46.58	372.72	5.03	-41.55
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2	REAL300025564095	0	41	-1.0	-46.87	362.93	4.60	-42.27
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2F)C2=C1CCC2	REAL300025564096	0	41	-1.0	-50.04	368.67	5.11	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL300025564097	0	30	-1.0	-44.64	298.76	3.45	-41.19
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=CC(Br)=CC=C21	REAL300025564098	0	34	-1.0	-44.82	310.10	3.94	-40.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025564099	0	29	-2.0	-99.19	291.30	2.86	-96.33
COC1=C(Br)C=CC(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564100	0	31	-1.0	-46.15	306.26	1.57	-44.58
O=C(CC1=CC=C2OCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564101	0	38	-1.0	-49.50	321.63	2.85	-46.65
CSC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564102	0	40	-1.0	-48.96	351.04	4.83	-44.13
O=C(CN1N=NN=C1C1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564103	0	32	-1.0	-53.93	301.93	0.13	-53.80
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300025564104	0	36	-1.0	-43.43	329.89	1.83	-41.60
CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(Cl)C=C2C=C1	REAL300025564105	0	35	-1.0	-52.98	320.67	3.45	-49.53
CCOC(=O)C1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564106	0	45	-1.0	-49.25	364.28	4.05	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL300025564107	0	37	-1.0	-50.87	315.82	3.75	-47.12
O=C(CN1C=CC2=CC=C(F)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025564108	0	34	-1.0	-51.48	307.50	3.76	-47.72
CC1(C)CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025564109	0	38	-1.0	-46.68	320.71	2.79	-43.89
CC(C)(C)OC(=O)COCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564110	0	39	-1.0	-57.19	331.91	2.02	-55.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL300025564111	0	33	-1.0	-53.58	311.06	4.84	-48.74
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=N1	REAL300025564112	0	38	-1.0	-54.10	331.59	2.89	-51.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2S1	REAL300025564113	0	29	-1.0	-44.14	297.64	1.74	-42.40
CCCC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564114	0	45	-1.0	-47.61	375.21	6.03	-41.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300025564115	0	36	-1.0	-46.38	315.06	3.40	-42.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1CCOCC1	REAL300025564116	0	43	-1.0	-45.70	350.82	1.75	-43.95
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564117	0	44	-1.0	-47.22	360.63	0.27	-46.95
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C2=NC=CC=C2C=C1	REAL300025564118	0	33	-1.0	-54.05	292.91	0.56	-53.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300025564118	1	32	-2.0	-115.42	289.35	1.56	-113.86
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025564119	0	32	-1.0	-55.29	303.28	3.09	-52.20
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(O)C=C2O1	REAL300025564120	0	34	-1.0	-50.68	302.14	-1.22	-51.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)SC(Br)=N1	REAL300025564121	0	23	-1.0	-41.91	266.22	-0.20	-42.11
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025564122	0	32	-1.0	-51.85	312.33	3.35	-48.50
N#CC1=CC(Br)=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564123	0	37	-1.0	-44.99	345.06	1.79	-43.20
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564124	0	44	-1.0	-51.21	348.73	3.91	-47.30
COC(=O)C1=C(COCC(=O)NCCC2=NC(=O)O[N-]2)OC=N1	REAL300025564125	0	36	-1.0	-57.23	330.95	-2.09	-59.32
C[N@@H+]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025564126	0	43	0.0	-66.35	323.36	3.60	-62.75
C[N@H+]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025564126	1	43	0.0	-70.22	341.50	4.22	-66.00
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300025564127	0	39	0.0	-63.04	319.47	0.48	-62.56
CC1=C(C2=CC=CO2)N=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564128	0	36	-1.0	-52.66	334.51	1.78	-50.88
O=C(CN1CC2=CC=CC=C2OC1=O)NCCC1=NC(=O)O[N-]1	REAL300025564129	0	36	-1.0	-57.36	317.41	2.33	-55.03
CC1=C(C2=CC=CC=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564130	0	37	-1.0	-44.82	334.55	4.87	-39.95
O=C(CCC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025564131	0	33	-1.0	-46.25	317.44	3.87	-42.38
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C2=CC=CC=C2)=C1	REAL300025564132	0	47	-1.0	-48.48	397.42	6.37	-42.11
CCC1=C(C2=CC=CC=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564133	0	40	-1.0	-44.70	354.79	5.58	-39.12
O=C(CCCC1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025564134	0	36	-1.0	-48.75	321.46	3.86	-44.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC=C1C(F)(F)F	REAL300025564135	0	29	-1.0	-48.56	268.98	0.78	-47.78
CC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025564136	0	40	-1.0	-47.10	349.45	4.14	-42.96
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCOCC2)C=C1C	REAL300025564137	0	47	-1.0	-45.85	365.63	3.68	-42.17
O=C(NCCC1=NC(=O)O[N-]1)C1(C(=O)NC2=C(F)C=CC=C2F)CC1	REAL300025564138	0	38	-1.0	-47.78	345.20	2.43	-45.35
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300025564139	0	40	-1.0	-45.53	349.44	4.82	-40.71
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300025564140	0	41	-1.0	-48.05	356.94	3.56	-44.49
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCC1N1C=CC=N1	REAL300025564141	0	40	-1.0	-46.55	316.86	3.27	-43.28
CC(C)(C)OC(=O)N1CCCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564142	0	50	-1.0	-57.28	390.65	3.14	-54.14
CC(C)(C)OC(=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025564143	0	47	-1.0	-47.68	378.00	2.89	-44.79
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564144	0	50	-1.0	-55.90	392.98	1.46	-54.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025564145	0	43	-1.0	-47.38	347.47	1.60	-45.78
CC(CC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564146	0	37	-1.0	-46.80	325.58	3.90	-42.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(=O)C2=CC=CC=C21	REAL300025564147	0	35	-1.0	-45.82	306.19	3.44	-42.38
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564148	0	51	-1.0	-54.56	400.49	3.62	-50.94
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564149	0	50	-1.0	-60.90	410.21	2.68	-58.22
CC(C)(C)OC(=O)CCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564150	0	44	-1.0	-47.11	361.29	3.62	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL300025564151	0	33	-1.0	-43.12	305.13	2.23	-40.89
CS(=O)(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564152	0	41	-1.0	-54.15	342.65	-1.08	-55.23
COC1=CC=C2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025564153	0	41	-1.0	-48.58	334.49	3.32	-45.26
COC1=CN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025564154	0	34	-1.0	-48.87	300.16	0.52	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)N=C1	REAL300025564155	0	33	-1.0	-42.39	323.57	1.78	-40.61
CC1(C)CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025564156	0	38	-1.0	-53.45	319.75	3.68	-49.77
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564157	0	34	-1.0	-48.47	317.45	1.83	-46.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C2N=C(C(F)(F)F)N=C21	REAL300025564158	0	32	-1.0	-60.97	304.68	0.17	-60.80
CN1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025564159	0	39	-1.0	-47.48	315.88	2.22	-45.26
CN(C)C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025564160	0	34	-1.0	-44.12	311.30	0.77	-43.35
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564161	0	40	-1.0	-45.09	344.70	3.28	-41.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL300025564162	0	33	-1.0	-52.59	289.13	-0.84	-53.43
O=C(COC1=NSN=C1N1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025564163	0	39	-1.0	-45.48	344.69	-2.89	-48.37
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)SCCO1	REAL300025564164	0	37	-1.0	-45.68	326.26	3.32	-42.36
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564165	0	49	-1.0	-50.13	401.70	3.83	-46.30
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCO1	REAL300025564166	0	43	-1.0	-45.01	350.53	1.91	-43.10
O=C(CC(N1C=CN=C1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025564167	0	33	-1.0	-48.16	302.34	2.50	-45.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300025564168	0	35	-1.0	-50.52	308.04	2.47	-48.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Br)=N1	REAL300025564169	0	23	-1.0	-43.01	252.27	-0.87	-43.88
CN1CCCC1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564170	0	39	-1.0	-44.33	321.49	-1.75	-46.08
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2)=NO1	REAL300025564171	0	38	-1.0	-44.93	330.77	2.43	-42.50
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025564172	0	37	-1.0	-49.75	339.88	1.52	-48.23
CN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025564173	0	38	-1.0	-45.83	335.76	1.75	-44.08
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025564173	1	39	0.0	-63.21	334.96	3.96	-59.25
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025564174	0	42	-1.0	-43.72	339.35	3.33	-40.39
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(=O)C2=CC=CC=C21	REAL300025564175	0	36	-1.0	-45.60	306.47	1.43	-44.17
CC(CC(=O)NCCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C21	REAL300025564176	0	42	-1.0	-49.90	337.46	2.86	-47.04
CCN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025564177	0	37	-1.0	-50.37	323.08	1.35	-49.02
CSC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564178	0	31	-1.0	-46.17	300.30	3.15	-43.02
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NC2CC2)=N1	REAL300025564179	0	38	-1.0	-45.84	325.95	1.70	-44.14
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025564180	0	34	-1.0	-45.34	311.43	3.04	-42.30
CC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1C	REAL300025564181	0	39	-1.0	-45.75	348.47	3.65	-42.10
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564182	0	36	-1.0	-47.03	328.93	2.13	-44.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300025564183	0	36	-1.0	-42.65	325.35	1.80	-40.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL300025564184	0	37	-1.0	-50.51	305.83	3.08	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C=C1F	REAL300025564185	0	30	-1.0	-53.57	282.00	2.54	-51.03
O=C(CC1OCC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025564186	0	35	-1.0	-47.90	319.14	2.70	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL300025564187	0	31	-1.0	-43.31	301.94	1.37	-41.94
NC1=C(Cl)C(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025564188	0	29	-1.0	-43.06	288.71	0.63	-42.43
CC(C)(C)OC(=O)N1C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1C1CC1	REAL300025564189	0	51	-1.0	-53.64	402.98	4.24	-49.40
CS(=O)(=O)C1=CC=C(NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564190	0	38	-1.0	-53.22	341.49	-1.97	-55.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1NC(=O)C(F)(F)F	REAL300025564191	0	33	-1.0	-45.07	309.50	-0.52	-45.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300025564192	0	29	-1.0	-45.41	307.42	3.45	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300025564193	0	38	-1.0	-43.88	328.50	1.03	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300025564194	0	34	-1.0	-44.62	312.96	-0.29	-44.91
CCC(CC)(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564195	0	47	-1.0	-53.23	368.21	4.56	-48.67
CC(C)(C)OC(=O)N1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564196	0	45	-1.0	-47.62	362.35	2.50	-45.12
NC(=O)CC(NC(=O)CC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564197	0	44	-1.0	-59.55	390.13	-1.22	-60.77
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564198	0	41	-1.0	-55.43	358.35	-1.08	-56.51
NS(=O)(=O)C1=CC=C(NCC(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025564199	0	37	-1.0	-54.90	340.45	-4.44	-59.34
CN1CCC(CC2=CC=CC=C2)(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025564200	0	44	-1.0	-44.42	348.75	3.94	-40.48
CN1C(=O)[C@H](O)[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025564201	0	42	-1.0	-48.87	354.86	-0.32	-49.19
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025564202	0	46	0.0	-67.92	381.03	2.65	-65.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL300025564203	0	35	-1.0	-47.61	312.55	1.90	-45.71
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CCC1	REAL300025564204	0	46	-1.0	-43.34	365.59	4.11	-39.23
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300025564205	0	38	-1.0	-48.67	340.32	3.03	-45.64
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300025564206	0	36	-1.0	-48.37	331.67	3.31	-45.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL300025564207	0	32	-1.0	-45.74	296.02	3.46	-42.28
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025564208	0	30	-1.0	-56.63	289.96	-2.88	-59.51
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL300025564209	0	38	-1.0	-47.59	326.82	4.39	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Cl)C=C12	REAL300025564210	0	30	-1.0	-51.36	288.72	2.39	-48.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CO1	REAL300025564211	0	39	-1.0	-48.48	335.15	2.65	-45.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CCCCC1	REAL300025564212	0	49	-1.0	-44.97	391.73	5.53	-39.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CC=C(Cl)C=C1	REAL300025564213	0	45	-1.0	-44.64	392.63	5.83	-38.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(NC2CCC2)=C1	REAL300025564214	0	38	-1.0	-46.09	321.16	1.63	-44.46
COC1=CC=CC(N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)OC(C)(C)C)=C1	REAL300025564215	0	51	-1.0	-53.26	422.61	3.95	-49.31
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564216	0	41	-1.0	-45.53	348.91	2.42	-43.11
O=C(N[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1)OCC1=CC=CC=C1	REAL300025564217	0	45	-1.0	-48.34	387.52	2.23	-46.11
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025564218	0	32	-1.0	-52.21	295.01	2.62	-49.59
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564219	0	46	-1.0	-47.50	367.63	0.55	-46.95
CC(COCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025564220	0	40	-1.0	-49.03	340.72	3.91	-45.12
O=C(COCCC1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564221	0	37	-1.0	-49.63	330.31	3.45	-46.18
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564222	0	50	-1.0	-46.10	397.21	1.67	-44.43
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2=CC=C(Br)C=C21	REAL300025564223	0	35	-1.0	-46.92	317.59	2.72	-44.20
CNC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025564224	0	36	-1.0	-56.96	326.93	-0.44	-57.40
O=C(CN1N=C2CCCCN2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025564225	0	37	-1.0	-57.91	318.44	1.59	-56.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CC=NC=C21	REAL300025564226	0	32	-1.0	-47.12	286.25	2.05	-45.07
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025564227	0	40	-1.0	-49.76	362.43	4.12	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C(=O)NC=C2	REAL300025564228	0	30	-1.0	-50.32	287.68	-0.11	-50.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)N=C1	REAL300025564229	0	35	-1.0	-46.52	324.74	3.80	-42.72
CC1=NN=NN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564230	0	35	-1.0	-52.38	310.60	1.57	-50.81
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564231	0	42	-1.0	-49.66	373.46	5.21	-44.45
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564232	0	43	-1.0	-51.23	362.25	3.39	-47.84
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564233	0	48	-1.0	-53.07	391.65	5.28	-47.79
O=C(CCCC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564234	0	46	-1.0	-48.07	373.53	6.30	-41.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCCCO2	REAL300025564235	0	36	-1.0	-51.97	304.04	2.56	-49.41
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CCCCC1	REAL300025564236	0	38	-1.0	-43.36	309.72	1.47	-41.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL300025564237	0	37	-1.0	-47.48	321.86	4.08	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=NSC=C1Br	REAL300025564238	0	23	-1.0	-44.94	247.21	-0.36	-45.30
O=C(NCCC1=NC(=O)O[N-]1)C(CC1CCCO1)C(F)(F)F	REAL300025564239	0	37	-1.0	-42.07	314.16	1.39	-40.68
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025564240	0	48	-1.0	-44.59	368.48	4.39	-40.20
CCCOC1=CC=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564241	0	38	-1.0	-50.66	333.58	-0.55	-51.21
O=C(N[C@@H](CO)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025564242	0	38	-1.0	-47.18	339.14	-2.36	-49.54
O=C(CC1=CC=C(F)C=C1)N[C@@H](CO)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564243	0	41	-1.0	-48.76	363.76	-1.69	-50.45
O=C(N[C@@H](CO)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=N1	REAL300025564244	0	37	-1.0	-53.42	336.38	-4.20	-57.62
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC(Cl)=CN2C=N1	REAL300025564245	0	30	-1.0	-48.24	288.28	3.33	-44.91
CCC(CC)(COCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564246	0	49	-1.0	-44.84	391.59	4.69	-40.15
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564247	0	52	0.0	-67.00	403.47	1.02	-65.98
COC1=CC=C(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025564248	0	43	-1.0	-47.51	371.12	1.52	-45.99
O=C(CC1(CN2C=NN=N2)CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025564249	0	44	-1.0	-47.76	340.13	3.13	-44.63
N#CC1=CC(Br)=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564250	0	31	-1.0	-48.98	307.97	3.06	-45.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=C(Cl)C=CC=C2Cl)S1	REAL300025564251	0	36	-1.0	-44.95	360.69	3.97	-40.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300025564252	0	33	-1.0	-44.41	326.83	2.96	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300025564253	0	33	-1.0	-48.90	318.27	2.69	-46.21
CC(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025564254	0	37	-1.0	-45.15	332.95	3.07	-42.08
O=C(CC1C2CC3CC(C2)CC1C3)NCCC1=NC(=O)O[N-]1	REAL300025564255	0	44	-1.0	-45.79	321.72	3.97	-41.82
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564256	0	41	-1.0	-51.70	344.73	-0.26	-51.96
CC1=CC=CC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2C)=C1	REAL300025564257	0	41	-1.0	-46.34	342.56	4.84	-41.50
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL300025564258	0	37	-1.0	-47.26	316.28	0.65	-46.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL300025564259	0	35	-1.0	-51.22	306.56	1.68	-49.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL300025564260	0	35	-1.0	-57.62	306.39	1.69	-55.93
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564261	0	43	-1.0	-52.81	365.93	0.01	-52.80
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564262	0	33	-1.0	-49.64	307.54	1.32	-48.32
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564263	0	45	-1.0	-52.32	360.35	3.83	-48.49
COC1=CC=CC=C1CN1C=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025564264	0	47	-1.0	-55.07	400.71	6.09	-48.98
O=C(CC12CCCCC1C2(F)F)NCCC1=NC(=O)O[N-]1	REAL300025564265	0	37	-1.0	-42.91	305.60	2.99	-39.92
CC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025564266	0	33	-1.0	-43.07	297.52	3.37	-39.70
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564267	0	41	-1.0	-49.13	345.75	3.65	-45.48
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564268	0	44	-1.0	-49.65	379.20	5.50	-44.15
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL300025564269	0	30	-1.0	-52.02	280.82	1.78	-50.24
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025564270	0	30	-1.0	-44.29	285.09	2.84	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300025564271	0	29	-1.0	-47.31	294.17	1.48	-45.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL300025564272	0	32	-1.0	-48.10	285.51	2.03	-46.07
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300025564273	0	30	-1.0	-45.30	307.42	2.71	-42.59
O=C(CCC1=CSC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025564274	0	30	-1.0	-44.96	298.70	2.50	-42.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(N2CCCC2)=C1	REAL300025564275	0	39	-1.0	-44.23	342.41	2.66	-41.57
O=C(CC(N1C=CC=N1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025564276	0	33	-1.0	-49.28	300.52	1.25	-48.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300025564277	0	33	-1.0	-51.17	323.74	-0.33	-51.50
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL300025564278	0	29	-1.0	-48.30	287.62	1.42	-46.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL300025564279	0	41	-1.0	-50.00	352.73	3.32	-46.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL300025564280	0	33	-1.0	-43.32	293.68	1.84	-41.48
CC(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCCC2)C=C1	REAL300025564281	0	52	-1.0	-45.91	395.71	6.75	-39.16
O=C(NCCC1=NC(=O)O[N-]1)C1COCC1C1=CC=CC=C1	REAL300025564282	0	38	-1.0	-48.28	318.78	2.04	-46.24
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025564283	0	38	-1.0	-45.63	343.79	3.28	-42.35
CC(C)N(C)S(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564284	0	48	-1.0	-50.92	410.92	2.15	-48.77
COC(=O)C1=CC=C2CCCC(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025564285	0	46	-1.0	-48.49	376.98	5.10	-43.39
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Br	REAL300025564286	0	27	-1.0	-47.08	282.85	2.35	-44.73
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CC1	REAL300025564287	0	43	-1.0	-44.60	348.56	3.78	-40.82
CC(C)(C)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025564288	0	47	-1.0	-51.24	361.91	5.18	-46.06
CC(C)(C)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025564289	0	42	-1.0	-51.09	343.07	4.33	-46.76
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025564290	0	49	-1.0	-44.00	378.14	4.49	-39.51
CC(C)(C)OC(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564291	0	48	-1.0	-53.60	372.11	4.31	-49.29
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1(Br)Br	REAL300025564292	0	27	-1.0	-44.44	272.87	1.90	-42.54
COC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL300025564293	0	37	-1.0	-43.68	304.96	1.04	-42.64
CN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025564294	0	38	-1.0	-50.42	323.29	4.42	-46.00
CC(C)[C@H](NCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564295	0	37	-1.0	-46.36	318.50	0.03	-46.33
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCOCC1	REAL300025564296	0	45	-1.0	-47.34	352.92	2.73	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300025564297	0	33	-1.0	-41.99	308.37	2.60	-39.39
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NCC(F)(F)F)=N1	REAL300025564298	0	37	-1.0	-45.44	335.91	1.30	-44.14
CC(C)(C)OC(=O)NC1=CN(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025564299	0	50	-1.0	-60.10	404.34	1.04	-59.06
CC(C)(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025564300	0	36	-1.0	-46.24	318.57	1.51	-44.73
CC(C)(C)OC(=O)N1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025564301	0	48	-1.0	-47.51	402.15	3.90	-43.61
C[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025564302	0	43	-1.0	-47.36	347.47	1.60	-45.76
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025564303	0	45	-1.0	-47.20	387.03	3.01	-44.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)C=N1	REAL300025564304	0	26	-1.0	-41.24	276.91	0.88	-40.36
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL300025564305	0	34	-1.0	-57.76	300.95	-2.08	-59.84
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(CO)=NC2=CC=C1	REAL300025564305	1	34	-1.0	-51.86	299.48	-2.05	-53.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300025564306	0	30	-1.0	-54.14	282.20	1.25	-52.89
CN(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025564307	0	38	-1.0	-44.14	333.84	2.94	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300025564308	0	31	-1.0	-45.49	299.67	3.00	-42.49
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(SCC(C)C)=N1	REAL300025564309	0	42	-1.0	-48.57	377.67	3.44	-45.13
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1Br	REAL300025564310	0	34	-1.0	-44.78	315.80	2.63	-42.15
COC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564311	0	34	-1.0	-44.64	304.79	1.72	-42.92
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC2=CC=NC=C21	REAL300025564312	0	32	-1.0	-51.03	293.56	1.83	-49.20
NC(=O)N=NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564313	0	33	-1.0	-50.70	304.43	-3.27	-53.97
O=C(C=CC1=CC=C(C2OCCO2)O1)NCCC1=NC(=O)O[N-]1	REAL300025564314	0	37	-1.0	-48.09	330.28	1.02	-47.07
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL300025564315	0	32	-1.0	-45.76	298.48	-1.79	-47.55
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564316	0	37	-1.0	-49.40	343.46	1.52	-47.88
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564317	0	46	-1.0	-55.76	384.06	4.43	-51.33
COCCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025564318	0	39	-1.0	-45.01	342.78	-0.61	-45.62
CC(C)(C)N1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564319	0	36	-1.0	-47.09	327.79	1.96	-45.13
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300025564320	0	44	-1.0	-50.86	334.12	2.73	-48.13
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1	REAL300025564321	0	37	-1.0	-46.04	337.08	1.29	-44.75
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564322	0	55	-1.0	-46.84	421.74	2.45	-44.39
CC(C)(C)OC(=O)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025564323	0	49	-1.0	-53.37	376.21	2.91	-50.46
CN1C(=O)C(C)(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025564324	0	41	-1.0	-48.71	347.28	3.01	-45.70
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564325	0	46	-1.0	-51.49	383.99	4.45	-47.04
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564326	0	51	-1.0	-57.56	400.59	3.83	-53.73
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025564327	0	34	-1.0	-45.62	310.19	1.92	-43.70
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564328	0	35	-1.0	-43.02	312.01	1.71	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Br)=C2)=NO1	REAL300025564329	0	33	-1.0	-42.10	323.27	3.14	-38.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NO1	REAL300025564330	0	33	-1.0	-41.57	323.26	3.15	-38.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300025564331	0	30	-1.0	-43.75	299.10	3.45	-40.30
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564332	0	38	-1.0	-47.51	325.34	2.87	-44.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300025564333	0	36	-1.0	-49.46	322.63	3.18	-46.28
O=C(CC1=CC=C(C2CCCCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564334	0	46	-1.0	-46.73	369.79	6.03	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCCC1	REAL300025564335	0	36	-1.0	-42.33	294.86	2.58	-39.75
CN(C)C(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564336	0	43	-1.0	-50.76	339.59	1.62	-49.14
CC1=C(Br)C=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564337	0	29	-1.0	-42.94	272.71	0.96	-41.98
CC(C)[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025564338	0	44	-1.0	-62.32	362.70	5.76	-56.56
COC1=CC=C(OC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564339	0	41	-1.0	-48.66	333.24	2.24	-46.42
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025564340	0	42	-1.0	-45.18	359.18	5.28	-39.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1	REAL300025564341	0	37	-1.0	-51.95	341.88	1.75	-50.20
CC(C)N1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025564342	0	40	-1.0	-50.01	337.87	1.79	-48.22
O=C(CC1=C(Cl)C=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025564343	0	30	-1.0	-45.68	300.06	3.14	-42.54
COC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025564344	0	34	-1.0	-49.75	310.96	1.99	-47.76
CC(C)(OC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564345	0	37	-1.0	-46.98	324.70	3.60	-43.38
CCC(C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025564346	0	46	-1.0	-47.21	366.51	2.70	-44.51
O=C(NCCC1=NC(=O)O[N-]1)C(CC1COCCO1)C(F)(F)F	REAL300025564347	0	38	-1.0	-42.74	323.10	0.28	-42.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300025564348	0	37	-1.0	-47.93	330.04	2.41	-45.52
CC(C)C[C@H](NCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564349	0	40	-1.0	-46.86	340.28	0.69	-46.17
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564350	0	47	-1.0	-56.02	377.05	2.30	-53.72
O=C(CC1=CC=C(Br)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025564351	0	30	-1.0	-47.40	294.68	2.88	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300025564352	0	33	-1.0	-54.81	300.24	1.53	-53.28
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CCOCC1	REAL300025564353	0	36	-1.0	-50.17	298.98	-0.98	-51.15
CC(C)N(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564354	0	46	-1.0	-51.64	366.75	2.86	-48.78
CC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025564355	0	42	-1.0	-49.09	353.00	4.15	-44.94
CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564356	0	52	-1.0	-57.36	396.94	2.79	-54.57
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564357	0	46	0.0	-72.21	351.42	2.10	-70.11
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564357	1	46	0.0	-77.29	359.89	2.33	-74.96
CC(C)[N@@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025564358	0	52	0.0	-68.16	386.13	3.22	-64.94
CC(C)[N@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025564358	1	52	0.0	-74.57	394.69	3.44	-71.13
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025564359	0	39	-1.0	-47.13	338.41	2.19	-44.94
CC1=CC=NC(NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025564360	0	40	-1.0	-53.12	346.83	4.70	-48.42
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300025564361	0	30	-1.0	-40.64	298.82	2.94	-37.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300025564362	0	33	-1.0	-45.74	301.46	4.31	-41.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300025564363	0	33	-1.0	-52.51	310.30	3.69	-48.82
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300025564364	0	41	-1.0	-50.19	352.11	3.20	-46.99
CC1=NC(C2=CC=CS2)=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564365	0	36	-1.0	-49.28	339.33	2.56	-46.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300025564366	0	40	0.0	-68.38	332.34	2.24	-66.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300025564367	0	41	-1.0	-50.17	354.65	2.29	-47.88
NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=N1	REAL300025564368	0	28	-1.0	-43.72	275.12	-0.96	-44.68
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025564369	0	41	-1.0	-48.70	355.75	5.61	-43.09
COC1=CC(OC)=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025564370	0	41	-1.0	-54.88	349.09	1.38	-53.50
COC1=CC(OC)=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025564370	1	40	-2.0	-89.17	345.85	0.94	-88.23
O=C(CC1NC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025564371	0	35	-1.0	-52.75	307.60	0.00	-52.75
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300025564372	0	50	-1.0	-55.88	395.71	0.85	-55.03
CS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564373	0	38	-1.0	-50.77	323.32	-1.79	-52.56
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025564374	0	38	-1.0	-52.77	336.44	1.71	-51.06
CC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025564375	0	33	-1.0	-46.92	304.34	3.29	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300025564376	0	42	-1.0	-50.72	350.28	1.07	-49.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300025564377	0	36	-1.0	-54.40	320.93	1.96	-52.44
NC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025564378	0	29	-1.0	-44.20	286.95	0.58	-43.62
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL300025564379	0	39	-1.0	-45.66	309.28	2.73	-42.93
CN1N=CC(C(F)(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564380	0	30	-1.0	-44.13	289.49	0.20	-43.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300025564381	0	39	-1.0	-47.17	310.82	2.95	-44.22
CC(C)(C)OC(=O)N1CCC(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564382	0	51	-1.0	-53.57	413.95	1.65	-51.92
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN2)C1	REAL300025564382	1	51	-1.0	-50.57	413.84	1.62	-48.95
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025564383	0	52	-1.0	-48.81	417.05	1.95	-46.86
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCOCC1	REAL300025564384	0	34	-1.0	-42.08	286.48	0.23	-41.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300025564385	0	30	-1.0	-44.74	294.86	3.06	-41.68
CSCC[C@H](NC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564386	0	36	-1.0	-58.58	318.29	-2.03	-60.61
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300025564387	0	40	-1.0	-44.86	335.42	4.94	-39.92
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(Br)=CS1	REAL300025564388	0	24	-1.0	-45.55	273.14	1.75	-43.80
CCCCCCCCCCCCC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564389	0	62	-1.0	-45.41	475.56	8.76	-36.65
CCN1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025564390	0	37	-1.0	-51.25	323.04	1.35	-49.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300025564391	0	38	-1.0	-50.33	328.07	2.01	-48.32
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCN(C(=O)OCC1=CC=CC=C1)C2	REAL300025564392	0	49	-1.0	-48.71	413.84	4.95	-43.76
CC(C)(C)OC(=O)N1CCCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564393	0	50	-1.0	-51.37	387.29	3.54	-47.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN=C1SCC1=CC=CC=C1	REAL300025564394	0	39	-1.0	-49.96	353.46	3.72	-46.24
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564395	0	50	-1.0	-46.61	407.13	0.09	-46.52
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025564396	0	47	-1.0	-50.14	401.31	3.00	-47.14
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025564397	0	46	-1.0	-51.34	392.46	-1.51	-52.85
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564398	0	51	-1.0	-48.05	408.36	5.04	-43.01
CN1C(=O)CO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025564399	0	41	-1.0	-46.15	340.32	0.85	-45.30
COC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564400	0	42	-1.0	-47.88	341.67	2.45	-45.43
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1(C)C	REAL300025564401	0	45	-1.0	-42.29	354.34	4.04	-38.25
CC(C)(C)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025564402	0	48	-1.0	-48.82	378.29	4.31	-44.51
CS(=O)(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025564403	0	34	-1.0	-53.59	323.75	-1.47	-55.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1	REAL300025564404	0	37	-1.0	-49.17	325.84	3.23	-45.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1N1C=NN=N1	REAL300025564405	0	32	-1.0	-57.14	310.57	2.38	-54.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CNC1=O	REAL300025564406	0	27	-1.0	-51.02	266.78	-0.63	-51.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300025564407	0	36	-1.0	-46.29	320.85	4.19	-42.10
CC1=C(S(C)(=O)=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025564408	0	33	-1.0	-54.88	308.37	-2.15	-57.03
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300025564409	0	35	-1.0	-44.15	318.54	4.60	-39.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300025564410	0	34	-1.0	-50.51	325.27	4.44	-46.07
CC1=CC=C2OC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025564411	0	36	-1.0	-51.01	317.24	3.25	-47.76
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025564412	0	39	-1.0	-44.69	341.66	4.72	-39.97
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300025564413	0	41	-1.0	-53.77	351.30	3.96	-49.81
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564414	0	47	-1.0	-46.97	384.14	-0.69	-47.66
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564415	0	37	-1.0	-50.70	323.89	4.60	-46.10
COC1=CC=C([C@]2(C(=O)NCCC3=NC(=O)O[N-]3)C[C@H](O)C2)C=C1	REAL300025564416	0	42	-1.0	-46.00	351.52	-0.32	-46.32
O=C(CN1CSCCSC1)NCCC1=NC(=O)O[N-]1	REAL300025564417	0	34	-1.0	-47.10	302.54	0.03	-47.07
O=C(CCC(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025564418	0	35	-1.0	-49.04	316.81	2.89	-46.15
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025564419	0	43	-1.0	-54.12	362.65	2.35	-51.77
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564420	0	48	-1.0	-58.29	383.53	0.76	-57.53
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2CCCCC21	REAL300025564421	0	41	-1.0	-49.47	326.15	0.15	-49.32
N#CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025564422	0	30	-2.0	-102.35	294.19	-3.31	-105.66
O=C(CC1=CC=C(Br)C(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564423	0	31	-1.0	-49.40	299.37	0.04	-49.36
CC(C)(C)OC(=O)NCC(O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564424	0	44	-1.0	-51.30	365.46	-2.56	-53.86
N#CC1=CN(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025564425	0	33	-2.0	-92.16	315.22	-2.85	-95.01
COC1=CC=C(CN2CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564426	0	43	-1.0	-51.37	361.59	0.31	-51.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCOCC2)=NC=N1	REAL300025564427	0	38	-1.0	-43.61	322.73	-0.40	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL300025564428	0	35	-1.0	-51.27	308.16	-0.44	-51.71
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025564428	1	34	-2.0	-110.80	304.60	0.56	-110.24
CC(C)(C)OC(=O)N1CC(O)CC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564429	0	48	-1.0	-50.86	384.48	-0.56	-51.42
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564430	0	42	0.0	-65.99	342.64	4.39	-61.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564430	1	42	0.0	-66.01	342.64	4.39	-61.62
CN(CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564430	1	41	-1.0	-46.35	340.80	2.13	-44.22
COCCOCC[N@H+](C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564431	0	46	0.0	-66.44	371.67	0.57	-65.87
COCCOCC[N@@H+](C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564431	1	46	0.0	-67.59	371.69	0.57	-67.02
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CSCCSC1	REAL300025564432	0	37	-1.0	-46.56	319.00	0.28	-46.28
O=C(CCN1CSCCSC1)NCCC1=NC(=O)O[N-]1	REAL300025564433	0	37	-1.0	-46.62	321.88	0.31	-46.31
NC(=O)C1=CN(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025564434	0	37	-1.0	-50.43	330.40	-4.38	-54.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL300025564435	0	32	-1.0	-52.15	300.21	1.59	-50.56
CCSC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025564436	0	37	-1.0	-46.96	347.26	4.54	-42.42
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C2CC1	REAL300025564437	0	40	-1.0	-46.91	321.01	4.45	-42.46
CC1=CC=C(COC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564438	0	40	-1.0	-50.52	343.60	3.98	-46.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2S1	REAL300025564439	0	30	-1.0	-43.55	303.66	3.56	-39.99
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564440	0	51	-1.0	-51.48	403.36	4.73	-46.75
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564441	0	44	-1.0	-46.75	363.58	0.79	-45.96
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564442	0	50	-1.0	-57.32	390.62	3.13	-54.19
CC(C)(C)OC(=O)NC1=NN(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564443	0	50	-1.0	-55.98	404.07	2.04	-53.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL300025564444	0	36	-1.0	-45.85	310.92	1.86	-43.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1C=CN=N1	REAL300025564445	0	36	-1.0	-45.85	310.92	1.86	-43.99
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025564446	0	51	-1.0	-50.40	405.59	2.25	-48.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1N1C=NN=N1	REAL300025564447	0	32	-1.0	-56.48	310.53	2.96	-53.52
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564448	0	40	-1.0	-47.39	342.46	3.96	-43.43
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025564449	0	40	-1.0	-46.40	355.22	5.99	-40.41
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300025564450	0	38	-1.0	-58.39	344.30	2.27	-56.12
COC1=CC=C(CNC(=O)C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564451	0	42	-1.0	-46.99	370.71	0.53	-46.46
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025564452	0	51	0.0	-71.06	397.04	4.01	-67.05
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025564452	1	51	0.0	-66.21	395.89	4.08	-62.13
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564453	0	49	-1.0	-49.81	390.08	0.92	-48.89
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300025564454	0	31	-1.0	-45.98	308.24	3.26	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300025564455	0	35	-1.0	-48.18	317.17	2.71	-45.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300025564456	0	31	-1.0	-42.56	305.21	1.90	-40.66
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025564457	0	31	-1.0	-45.33	293.18	1.50	-43.83
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025564458	0	34	-1.0	-43.76	309.25	2.08	-41.68
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC(F)=CC=C2C1	REAL300025564459	0	35	-1.0	-44.17	304.21	2.14	-42.03
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(C)(=O)=O)O1	REAL300025564460	0	33	-1.0	-52.26	308.24	-2.08	-54.34
CC1=CC=CC=C1COC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564461	0	40	-1.0	-51.00	337.56	4.05	-46.95
CC1=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025564462	0	44	-1.0	-50.72	391.59	3.61	-47.11
COC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025564463	0	40	-1.0	-43.83	331.16	3.09	-40.74
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C(F)(F)F	REAL300025564464	0	36	-1.0	-45.65	304.66	2.43	-43.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300025564465	0	27	-1.0	-46.33	275.19	1.64	-44.69
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300025564466	0	40	-1.0	-46.79	327.61	4.56	-42.23
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1CCOCC1	REAL300025564467	0	41	-1.0	-49.09	342.87	0.84	-48.25
CN1C=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025564468	0	38	-1.0	-50.36	328.84	0.30	-50.06
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025564469	0	47	-1.0	-42.63	398.08	3.02	-39.61
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564470	0	34	-1.0	-50.54	326.24	3.77	-46.77
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025564471	0	37	-1.0	-46.52	336.03	2.80	-43.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300025564472	0	36	-1.0	-52.35	320.94	1.95	-50.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300025564473	0	33	-1.0	-44.01	320.97	3.93	-40.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1	REAL300025564474	0	41	-1.0	-45.08	370.89	5.11	-39.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=C2COCCN21	REAL300025564475	0	32	-1.0	-48.37	294.17	-0.20	-48.57
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300025564476	0	38	-1.0	-47.87	335.33	2.59	-45.28
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300025564477	0	36	-1.0	-62.68	300.21	0.43	-62.25
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564478	0	33	-2.0	-89.33	312.16	-2.36	-91.69
CS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564478	1	34	-1.0	-52.58	312.23	-2.22	-54.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL300025564479	0	33	-1.0	-49.37	290.15	0.74	-48.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL300025564480	0	30	-1.0	-44.19	298.17	1.78	-42.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300025564481	0	38	-1.0	-44.05	324.04	-0.00	-44.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1	REAL300025564482	0	33	-1.0	-46.18	333.13	2.91	-43.27
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564483	0	44	-1.0	-47.80	360.50	0.34	-47.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1Br)OCO2	REAL300025564484	0	30	-1.0	-45.09	285.57	0.84	-44.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300025564485	0	30	-1.0	-51.57	282.00	2.55	-49.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300025564486	0	41	-1.0	-51.54	340.97	2.39	-49.15
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(SCC2=CC=CC=C2)=N1	REAL300025564487	0	40	-1.0	-43.35	372.60	4.42	-38.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300025564488	0	34	-1.0	-50.09	310.69	2.65	-47.44
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300025564489	0	29	-1.0	-46.48	289.97	1.55	-44.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025564490	0	49	0.0	-70.94	412.17	5.08	-65.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025564490	1	49	0.0	-76.00	411.87	5.14	-70.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025564491	0	52	0.0	-79.65	421.47	6.10	-73.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025564491	1	52	0.0	-78.44	420.20	6.21	-72.23
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564492	0	55	0.0	-72.26	426.79	7.09	-65.17
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564492	1	55	0.0	-73.62	427.27	6.97	-66.65
COC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025564493	0	42	-1.0	-48.98	358.81	0.03	-48.95
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025564494	0	37	-1.0	-47.83	325.36	1.48	-46.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300025564495	0	43	-1.0	-47.06	366.03	5.15	-41.91
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025564496	0	52	0.0	-81.57	420.63	6.01	-75.56
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025564496	1	52	0.0	-76.51	420.07	6.11	-70.40
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564497	0	52	0.0	-71.55	409.82	6.56	-64.99
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564497	1	52	0.0	-72.67	410.37	6.46	-66.21
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025564498	0	56	0.0	-74.03	430.83	7.49	-66.54
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025564498	1	56	0.0	-73.18	431.27	7.55	-65.63
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025564499	0	50	0.0	-71.15	417.66	7.04	-64.11
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025564499	1	50	0.0	-69.45	417.59	7.17	-62.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300025564500	0	37	-1.0	-45.16	336.48	1.96	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL300025564501	0	39	-1.0	-48.16	321.13	2.04	-46.12
COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1OC(C)C	REAL300025564502	0	41	-1.0	-50.59	338.06	3.43	-47.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC=C(Br)N2N=C1	REAL300025564503	0	30	-1.0	-49.07	291.97	1.76	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300025564504	0	37	-1.0	-48.07	336.81	1.88	-46.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300025564505	0	38	-1.0	-51.09	328.01	2.00	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300025564506	0	38	-1.0	-48.59	329.37	2.05	-46.54
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300025564507	0	44	-1.0	-60.13	385.03	3.86	-56.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300025564508	0	33	-1.0	-53.31	311.03	3.05	-50.26
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025564509	0	48	-1.0	-46.70	383.27	2.80	-43.90
COC(=O)C=CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025564510	0	34	-1.0	-45.19	318.05	1.75	-43.44
CC(C)(C)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564511	0	43	-1.0	-45.96	353.94	5.06	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL300025564512	0	27	-1.0	-47.35	274.93	1.93	-45.42
CC(C)(C)OC(=O)N1CCCC(CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564513	0	53	-1.0	-47.93	413.17	3.85	-44.08
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564514	0	52	-1.0	-43.97	406.08	1.82	-42.15
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300025564515	0	51	-1.0	-58.56	403.40	2.76	-55.80
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025564516	0	43	-1.0	-53.18	353.78	0.27	-52.91
CC(C)(C)OC(=O)NC1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564517	0	45	-1.0	-48.24	369.97	0.95	-47.29
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CO2)=N1	REAL300025564518	0	34	-1.0	-55.90	306.95	2.08	-53.82
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(S(N)(=O)=O)=C1	REAL300025564519	0	32	-1.0	-48.35	302.09	-4.78	-53.13
COC1=CC=CC(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564520	0	51	-1.0	-45.40	420.71	1.87	-43.53
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564521	0	51	-1.0	-49.08	406.53	1.82	-47.26
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC1	REAL300025564522	0	47	-1.0	-46.93	394.08	2.09	-44.84
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564523	0	45	-1.0	-50.16	363.67	2.47	-47.69
CC1=CC=C(C2=NN(C)C=C2C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025564524	0	37	-1.0	-56.78	328.90	2.88	-53.90
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCCCC1	REAL300025564525	0	46	-1.0	-46.23	340.97	5.93	-40.30
O=C(NCCC1=NC(=O)O[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL300025564526	0	31	-1.0	-45.39	297.53	0.03	-45.36
CC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025564527	0	44	-1.0	-50.61	375.46	6.25	-44.36
CC1=CC=CC(N2C=NC3=CC(C(=O)NCCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025564528	0	43	-1.0	-52.02	371.28	6.84	-45.18
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025564529	0	35	-1.0	-43.42	319.57	1.01	-42.41
CCCCCCCCC=CCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564530	0	66	-1.0	-45.68	521.48	10.78	-34.90
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025564531	0	40	-1.0	-46.59	334.25	4.77	-41.82
CC(C)(C)OC(=O)NC(CC1=NC=CC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564532	0	48	-1.0	-47.40	387.99	-0.59	-47.99
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300025564533	0	38	-1.0	-44.20	335.07	2.90	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=C1	REAL300025564534	0	27	-1.0	-49.69	268.13	1.64	-48.05
CC1=NN(C2CCOCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564535	0	41	-1.0	-44.64	339.73	0.91	-43.73
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564536	0	50	-1.0	-44.31	404.63	3.77	-40.54
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564537	0	46	-1.0	-46.41	368.99	-1.56	-47.97
CO[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025564538	0	49	-1.0	-56.68	417.31	2.83	-53.85
CN1N=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025564539	0	27	-1.0	-45.05	283.20	0.01	-45.04
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025564540	0	36	-1.0	-53.51	329.84	3.30	-50.21
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300025564541	0	43	-1.0	-48.05	351.51	5.45	-42.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300025564542	0	40	-1.0	-45.88	346.69	3.91	-41.97
CO[C@@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025564543	0	49	-1.0	-51.01	418.94	3.02	-47.99
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCC2)CCNC1=O	REAL300025564544	0	41	-1.0	-50.60	318.42	-0.17	-50.77
CCOC1=CC=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564545	0	38	-1.0	-48.37	329.17	2.96	-45.41
CC1(C)CC1(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025564546	0	40	-1.0	-45.73	328.43	4.32	-41.41
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564547	0	34	-1.0	-46.87	320.39	2.42	-44.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC=C1C(F)(F)F	REAL300025564548	0	27	-1.0	-50.85	267.81	1.53	-49.32
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025564549	0	39	-1.0	-46.19	343.59	4.64	-41.55
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564550	0	44	-1.0	-48.12	365.71	1.30	-46.82
CCC(NC1=CC=CN=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564551	0	37	-1.0	-50.08	319.26	0.33	-49.75
O=C(NCCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300025564552	0	33	-1.0	-55.92	300.71	-1.83	-57.75
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCCC1	REAL300025564553	0	51	-1.0	-43.92	373.46	5.15	-38.77
COC1=CC=CC(OC(F)(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564554	0	35	-1.0	-50.38	321.93	0.59	-49.79
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300025564555	0	36	-1.0	-49.10	332.02	1.92	-47.18
COC1=CC=CC(C(OC)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564556	0	38	-1.0	-47.99	329.23	1.69	-46.30
COCCOCCOCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564557	0	44	-1.0	-52.37	374.05	-0.37	-52.74
COC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1OC	REAL300025564558	0	41	-1.0	-49.68	347.75	3.04	-46.64
O=C(CC1(N2C=NN=N2)CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025564559	0	39	-1.0	-61.87	318.60	0.36	-61.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564560	0	40	-2.0	-111.64	352.75	2.50	-109.14
CC(=O)NC1=CNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564561	0	34	-1.0	-63.51	304.74	-2.34	-65.85
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(N2C=CC=C2)S1	REAL300025564562	0	35	-1.0	-48.73	317.63	4.44	-44.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300025564563	0	33	-2.0	-102.81	300.25	1.29	-101.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300025564563	1	33	-2.0	-102.60	300.35	1.32	-101.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300025564564	0	30	-2.0	-79.02	286.46	-1.81	-80.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300025564564	1	30	-2.0	-78.98	286.53	-1.80	-80.78
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025564565	0	39	-1.0	-58.01	353.31	1.25	-56.76
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564566	0	33	-1.0	-44.47	329.32	-0.86	-45.33
CN1C=CC(NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025564567	0	39	-1.0	-50.78	338.19	3.04	-47.74
O=C(CC1CCN(CC(F)(F)F)CC1)NCCC1=NC(=O)O[N-]1	REAL300025564568	0	41	-1.0	-45.20	339.66	1.28	-43.92
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)C(C)(C)C1(C)C	REAL300025564569	0	51	-1.0	-42.20	382.70	4.87	-37.33
O=C(NCCC1=NC(=O)O[N-]1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300025564570	0	38	-1.0	-50.19	324.45	-0.56	-50.75
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=NC=CC=N1	REAL300025564571	0	37	-1.0	-48.19	308.39	0.24	-47.95
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=NN1	REAL300025564572	0	27	-1.0	-45.77	276.74	-0.63	-46.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300025564573	0	36	-1.0	-51.14	315.10	2.72	-48.42
CC(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025564574	0	47	-1.0	-49.08	380.63	2.07	-47.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CCO)N=C1C1CCOCC1	REAL300025564575	0	45	-1.0	-49.90	373.41	-1.80	-51.70
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564576	0	47	-1.0	-45.28	369.40	4.11	-41.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300025564577	0	36	-1.0	-51.26	321.85	4.62	-46.64
O=C(CC1=CNC2=CC=C(Br)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025564578	0	34	-1.0	-50.61	321.21	2.89	-47.72
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300025564579	0	35	-1.0	-50.46	319.55	1.45	-49.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL300025564580	0	38	-1.0	-52.13	316.10	-1.99	-54.12
NC1=C2N=CN(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=NC=N1	REAL300025564581	0	36	-1.0	-49.74	321.42	1.58	-48.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300025564582	0	32	-1.0	-45.88	304.14	-1.97	-47.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1I	REAL300025564583	0	24	-1.0	-49.86	250.13	-1.13	-50.99
CC1=CC=C(NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CS2)C=C1	REAL300025564584	0	38	-1.0	-46.12	339.42	2.07	-44.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL300025564585	0	30	-1.0	-47.64	288.27	-3.67	-51.31
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564586	0	49	-1.0	-46.20	385.18	0.01	-46.19
C#CCN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564587	0	42	-1.0	-53.91	357.37	2.71	-51.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1SCC1=CC=CC=C1	REAL300025564588	0	39	-1.0	-48.62	355.15	3.11	-45.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL300025564589	0	36	-1.0	-45.87	323.62	3.04	-42.83
CC1=CC=C(C(=O)C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564590	0	36	-1.0	-45.08	321.74	3.31	-41.77
NC1=NN=NN1C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564591	0	34	-1.0	-58.08	304.36	1.44	-56.64
CC1=CC=CC=C1NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=CS1	REAL300025564592	0	38	-1.0	-46.35	337.50	2.27	-44.08
CCN1C(Br)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564593	0	30	-1.0	-43.64	285.87	1.31	-42.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300025564594	0	30	-1.0	-51.66	284.47	-0.25	-51.91
O=C(NC(CO)C(=O)NCCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025564595	0	42	-1.0	-48.93	369.65	-2.10	-51.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=CN=C2C(Br)=C1	REAL300025564596	0	30	-1.0	-45.54	290.94	2.67	-42.87
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)=NO2	REAL300025564597	0	46	-1.0	-44.47	387.41	0.26	-44.21
CN1N=C(I)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564598	0	27	-1.0	-42.37	272.06	0.17	-42.20
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1	REAL300025564599	0	37	-1.0	-47.65	319.74	3.55	-44.10
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025564600	0	50	-1.0	-49.72	394.73	1.60	-48.12
CC(=CC1=CC=C(Br)O1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564601	0	31	-1.0	-43.90	294.18	2.46	-41.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300025564602	0	37	-1.0	-50.74	346.61	2.37	-48.37
CC1=CC(C)=NC(N2[N-]C(C(=O)NCCC3=NC(=O)O[N-]3)=C(CCO)C2=O)=N1	REAL300025564603	0	45	-2.0	-99.34	397.52	0.38	-98.96
O=CC1=CNC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025564604	0	33	-1.0	-54.89	296.56	1.34	-53.55
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025564605	0	46	-1.0	-52.28	391.51	6.15	-46.13
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564606	0	43	-1.0	-51.48	368.14	5.15	-46.33
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564607	0	43	-1.0	-56.86	370.33	5.54	-51.32
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564608	0	46	-1.0	-51.70	398.68	5.95	-45.75
O=CC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564609	0	29	-1.0	-44.61	287.83	1.87	-42.74
O=CC1=CN=C2C(Br)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN12	REAL300025564610	0	32	-1.0	-51.35	311.90	2.23	-49.12
O=C(NCCC1=NC(=O)O[N-]1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300025564611	0	38	-1.0	-49.47	319.04	1.41	-48.06
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025564612	0	43	-1.0	-49.15	376.91	-0.32	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL300025564613	0	37	-1.0	-49.27	325.85	2.40	-46.87
O=C(CN1N=C(Br)C(Br)=N1)NCCC1=NC(=O)O[N-]1	REAL300025564614	0	26	-1.0	-50.48	286.92	-1.02	-51.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL300025564615	0	29	-1.0	-44.08	286.18	0.61	-43.47
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025564616	0	41	-1.0	-56.19	358.15	0.61	-55.58
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=NC2=C1	REAL300025564617	0	29	-1.0	-45.40	290.76	0.91	-44.49
CC(C)(C)OC(=O)N1C2=CC(O)=CC=C2CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564618	0	49	-1.0	-56.27	401.83	1.64	-54.63
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564619	0	37	-1.0	-47.72	337.37	4.60	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300025564620	0	40	-1.0	-45.48	351.79	3.09	-42.39
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)NCCC4=NC(=O)O[N-]4)O3)C2=NC=N1	REAL300025564621	0	44	-1.0	-53.10	378.69	2.94	-50.16
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564622	0	39	-1.0	-44.20	346.70	1.16	-43.04
CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)=CS1	REAL300025564623	0	33	-1.0	-46.26	323.30	2.09	-44.17
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564624	0	43	-1.0	-50.33	372.88	3.78	-46.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300025564625	0	41	-1.0	-51.68	346.32	4.31	-47.37
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025564626	0	39	-1.0	-54.27	334.27	-1.85	-56.12
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300025564627	0	39	-1.0	-47.95	334.68	3.61	-44.34
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300025564628	0	39	-1.0	-48.10	338.93	4.49	-43.61
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=N1	REAL300025564629	0	38	-1.0	-57.52	334.15	3.10	-54.42
COC1=CC=C(F)C(OC)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564630	0	35	-1.0	-51.18	314.68	0.41	-50.77
COC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564631	0	49	-1.0	-52.61	408.81	2.97	-49.64
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1	REAL300025564632	0	48	-1.0	-48.35	394.64	4.40	-43.95
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564633	0	48	-1.0	-46.36	393.00	5.81	-40.55
COC1=CC=CC=C1NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564634	0	43	-1.0	-47.78	361.65	3.27	-44.51
COC1=CC=C(NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(OC)=C1	REAL300025564635	0	47	-1.0	-48.06	391.08	2.54	-45.52
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564636	0	51	-1.0	-46.50	402.37	6.77	-39.73
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025564637	0	35	-1.0	-49.64	322.70	2.59	-47.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2CCOCC2)C=C1	REAL300025564638	0	38	-1.0	-46.91	321.33	0.16	-46.75
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCC1=NC(=O)O[N-]1)OC2=O	REAL300025564639	0	40	-1.0	-44.90	320.88	1.92	-42.98
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=C(Br)C=CC=C3C21	REAL300025564640	0	35	-1.0	-44.09	322.94	4.69	-39.40
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)O1	REAL300025564641	0	37	-1.0	-45.26	324.33	4.08	-41.18
O=C(NCCC1=NC(=O)O[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL300025564642	0	35	-1.0	-56.57	303.42	-0.10	-56.67
CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025564643	0	33	-1.0	-56.75	309.76	1.25	-55.50
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564644	0	41	-1.0	-47.93	342.77	-4.05	-51.98
O=C(CC1CCN(CC(F)F)CC1)NCCC1=NC(=O)O[N-]1	REAL300025564645	0	41	-1.0	-49.89	325.61	0.54	-49.35
COC1=CC(OC)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C=O	REAL300025564646	0	37	-1.0	-51.49	321.91	1.25	-50.24
NC1=C2N=CN(CCCC(=O)NCCC3=NC(=O)O[N-]3)C2=NC=N1	REAL300025564647	0	39	-1.0	-57.12	342.92	2.38	-54.74
NC1=C2N=CN(CCCCC(=O)NCCC3=NC(=O)O[N-]3)C2=NC=N1	REAL300025564648	0	42	-1.0	-52.57	364.42	3.16	-49.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCC(O)CC2)C=C1	REAL300025564649	0	46	-1.0	-51.29	391.45	-1.81	-53.10
O=C(CC(O)COCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564650	0	41	-1.0	-54.28	354.71	0.91	-53.37
O=C(NCCC1=NC(=O)O[N-]1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300025564651	0	38	-1.0	-45.33	335.75	1.33	-44.00
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564652	0	47	-1.0	-47.63	375.31	2.38	-45.25
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C(C(F)(F)F)=N1	REAL300025564653	0	33	-1.0	-48.21	311.08	2.90	-45.31
CS(C)(=O)=NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564654	0	37	-1.0	-62.83	323.84	-0.13	-62.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=NC=C1	REAL300025564655	0	36	-1.0	-49.22	312.51	3.35	-45.87
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564656	0	41	-1.0	-48.23	352.01	6.15	-42.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300025564657	0	37	-1.0	-57.56	315.94	0.86	-56.70
CC1=C(C)C(=O)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025564658	0	37	-1.0	-49.71	330.42	0.84	-48.87
O=C(NCCC1=NC(=O)O[N-]1)C1CC2CSCC(C1)C2=O	REAL300025564659	0	37	-1.0	-47.47	303.37	2.16	-45.31
CCOC(=O)C1CCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564660	0	44	-1.0	-46.67	359.91	1.18	-45.49
CCOC(=O)C1CCC[N@H+](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564660	1	45	0.0	-64.05	361.83	3.35	-60.70
CCOC(=O)C1CCC[N@@H+](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564660	1	45	0.0	-64.03	361.80	3.35	-60.68
CCC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC=C1C=O	REAL300025564661	0	42	-1.0	-48.06	342.05	3.18	-44.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300025564662	0	47	0.0	-72.70	355.20	2.24	-70.46
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(N2CCOCC2)CC1	REAL300025564662	1	46	-1.0	-47.16	342.98	-0.34	-47.50
CC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025564663	0	30	-1.0	-45.78	277.14	-0.45	-46.23
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564664	0	48	-1.0	-59.17	404.53	4.76	-54.41
CN1CCOC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025564665	0	37	-1.0	-48.13	309.18	0.14	-47.99
CC1=NOC(COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025564666	0	38	-1.0	-47.95	343.76	-2.16	-50.11
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCOC1	REAL300025564667	0	45	-1.0	-47.74	353.12	2.75	-44.99
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL300025564668	0	34	-1.0	-44.73	304.25	2.17	-42.56
O=C(NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1)OCC1=CC=CC=C1	REAL300025564669	0	51	-1.0	-47.68	421.17	3.59	-44.09
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCOC1	REAL300025564670	0	48	-1.0	-49.95	374.96	3.56	-46.39
CC1=NOC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCOCC2)=C1	REAL300025564671	0	40	-1.0	-46.39	325.39	1.06	-45.33
CCN1C(=O)CO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=NC=CN1C	REAL300025564672	0	45	-1.0	-45.27	366.39	1.65	-43.62
CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025564673	0	36	-1.0	-44.46	322.25	3.54	-40.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1COCC1=CC=CC=C1	REAL300025564674	0	44	-1.0	-47.04	372.94	5.48	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1OC(F)(F)F	REAL300025564675	0	31	-1.0	-52.20	293.90	2.65	-49.55
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL300025564676	0	39	-1.0	-47.36	331.08	3.67	-43.69
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564677	0	45	-1.0	-48.15	367.28	-0.05	-48.20
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025564678	0	34	-1.0	-46.50	331.12	4.17	-42.33
CC(C)(C)OC(=O)NC1CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025564679	0	51	-1.0	-49.21	414.19	3.31	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025564680	0	50	0.0	-67.32	393.29	6.22	-61.10
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025564680	1	50	0.0	-67.53	393.46	6.21	-61.32
CC(C)(C)OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564681	0	39	-1.0	-43.45	326.72	1.93	-41.52
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCSCC1	REAL300025564682	0	46	-1.0	-43.09	367.44	4.22	-38.87
COC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025564683	0	37	-1.0	-44.82	331.51	1.83	-42.99
N#CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025564684	0	41	-1.0	-47.93	342.28	5.22	-42.71
N#CC1=CC=C(COCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564685	0	35	-1.0	-52.55	323.26	3.00	-49.55
COC1=CC(COCC(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025564686	0	37	-1.0	-53.53	329.50	-0.68	-54.21
COC1=CC=C(COCC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564687	0	37	-1.0	-53.25	329.45	-0.70	-53.95
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300025564688	0	34	-1.0	-45.57	295.64	2.32	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=C(Br)C=NC=C2C=C1	REAL300025564689	0	31	-1.0	-46.12	302.27	0.91	-45.21
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300025564690	0	40	-1.0	-46.32	355.29	3.03	-43.29
O=C(CC1=CC(Cl)=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564691	0	30	-1.0	-46.51	301.39	3.23	-43.28
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1	REAL300025564692	0	36	-1.0	-45.66	336.23	3.34	-42.32
CSC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564693	0	32	-1.0	-45.48	310.66	3.01	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(C2=CC=CC=C2)=N1	REAL300025564694	0	43	-1.0	-48.88	381.94	5.70	-43.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Br)S1	REAL300025564695	0	33	-1.0	-47.24	326.13	3.57	-43.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCCN2CCOCC2)C(F)=C1	REAL300025564696	0	48	-1.0	-49.34	393.39	-0.28	-49.62
CC1CC(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N1	REAL300025564697	0	40	-1.0	-48.66	336.57	-0.42	-49.08
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(Cl)C=C1	REAL300025564698	0	42	-1.0	-44.40	357.50	2.40	-42.00
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564699	0	43	-1.0	-49.43	361.43	1.47	-47.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1	REAL300025564700	0	33	-1.0	-42.97	333.85	3.53	-39.44
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C2=CC=CC=C2O1	REAL300025564701	0	30	-1.0	-44.61	293.04	2.56	-42.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL300025564702	0	37	-1.0	-42.89	314.90	-0.49	-43.38
CN1C=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564703	0	27	-1.0	-47.27	274.06	0.43	-46.84
CC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NN2C(C(F)(F)F)=C1	REAL300025564704	0	35	-1.0	-48.86	330.39	1.82	-47.04
O=C(COC1=CC=C(Br)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025564705	0	30	-1.0	-46.71	295.67	0.13	-46.58
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN2C=C(C(F)(F)F)N=C12	REAL300025564706	0	37	-1.0	-50.03	327.47	2.89	-47.14
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025564707	0	36	-1.0	-48.29	327.29	4.85	-43.44
COC1=CC=C(C2=C(CC(=O)NCCC3=NC(=O)O[N-]3)SC(C)=N2)C=C1	REAL300025564708	0	43	-1.0	-49.25	375.29	2.63	-46.62
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1CCOCC1	REAL300025564709	0	43	-1.0	-49.05	351.01	1.74	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL300025564710	0	27	-1.0	-46.15	280.76	2.61	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC(C(F)(F)F)=N2)=C1	REAL300025564711	0	40	-1.0	-50.75	365.11	5.10	-45.65
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=C1	REAL300025564712	0	34	-1.0	-45.51	311.85	2.25	-43.26
COC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025564713	0	40	-1.0	-51.78	345.23	2.62	-49.16
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564714	0	41	-1.0	-45.06	348.48	5.11	-39.95
CC1(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C2NC1=O	REAL300025564715	0	36	-1.0	-48.33	314.97	-0.59	-48.92
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025564716	0	40	-1.0	-56.21	363.24	2.68	-53.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NC2=C(Cl)C=CC=C12	REAL300025564717	0	35	-1.0	-46.14	313.15	3.09	-43.05
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CN(C)N=C1	REAL300025564718	0	40	-1.0	-49.65	342.19	3.33	-46.32
CC(C)(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL300025564719	0	38	-1.0	-42.74	334.62	2.80	-39.94
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025564720	0	37	-1.0	-47.55	326.65	4.92	-42.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1F	REAL300025564721	0	26	-1.0	-47.00	264.19	0.33	-46.67
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564722	0	47	-1.0	-47.76	380.53	2.34	-45.42
CC1CN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025564723	0	46	-1.0	-46.78	369.47	1.85	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025564724	0	29	-1.0	-38.74	297.31	2.40	-36.34
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564725	0	44	-1.0	-45.58	371.10	1.55	-44.03
CC1(C)CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)C1	REAL300025564726	0	49	-1.0	-46.25	376.28	6.03	-40.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1	REAL300025564727	0	39	-1.0	-52.70	348.35	2.87	-49.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL300025564727	1	39	-1.0	-52.05	341.54	2.56	-49.49
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564728	0	35	-1.0	-48.87	316.89	3.19	-45.68
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564729	0	53	-1.0	-48.51	432.27	4.26	-44.25
CN1C(=O)COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025564730	0	36	-1.0	-49.42	310.44	0.52	-48.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)F)=C1F	REAL300025564731	0	30	-1.0	-58.13	280.85	2.51	-55.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCOC2)N=N1	REAL300025564732	0	37	-1.0	-47.94	319.79	-1.18	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025564733	0	35	-1.0	-62.06	332.10	3.51	-58.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C=C1F	REAL300025564734	0	27	-1.0	-44.78	274.82	2.28	-42.50
O=C(CCC1=NN=C(C(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025564735	0	31	-1.0	-49.02	294.50	-3.78	-52.80
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300025564736	0	44	-1.0	-46.30	357.77	5.56	-40.74
CC1=CN(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025564737	0	39	-1.0	-57.24	340.98	2.38	-54.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL300025564738	0	37	-1.0	-49.58	310.88	3.95	-45.63
CC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025564739	0	50	-1.0	-50.57	416.70	7.51	-43.06
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300025564740	0	38	-1.0	-47.91	343.93	2.99	-44.92
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564741	0	48	-1.0	-51.65	379.83	1.25	-50.40
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300025564742	0	40	-1.0	-42.24	342.45	5.53	-36.71
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564743	0	45	-1.0	-47.05	345.17	4.75	-42.30
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)CC1	REAL300025564744	0	48	-1.0	-50.94	386.22	0.55	-50.39
C[C@@H]1C[C@]1(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564745	0	42	-1.0	-42.77	339.12	3.51	-39.26
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300025564746	0	37	-1.0	-44.67	325.93	2.46	-42.21
CCC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025564747	0	39	-1.0	-51.00	334.56	4.06	-46.94
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CN=CC=N1	REAL300025564748	0	39	-1.0	-50.93	334.46	2.70	-48.23
O=C([N-]CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025564749	0	33	-2.0	-78.35	326.42	-2.47	-80.82
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCN1C(=O)OC(C)(C)C	REAL300025564750	0	54	-1.0	-43.09	411.57	3.45	-39.64
CC(C)(C)OC(=O)NC1CCCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025564751	0	54	-1.0	-61.73	422.00	2.35	-59.38
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564752	0	44	-1.0	-45.64	367.64	0.58	-45.06
CC1=CN(C2CCOCC2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564753	0	41	-1.0	-46.78	339.80	0.85	-45.93
COC1=CC=C(Cl)C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025564754	0	37	-1.0	-44.48	343.91	2.51	-41.97
CCN1C(=O)CO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=NN1C	REAL300025564755	0	45	-1.0	-44.78	358.57	1.58	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1Cl	REAL300025564756	0	26	-1.0	-47.66	266.53	0.68	-46.98
O=C(CC(O)C(Cl)(Cl)Cl)NCCC1=NC(=O)O[N-]1	REAL300025564757	0	27	-1.0	-44.98	282.69	-0.64	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1	REAL300025564758	0	29	-1.0	-45.39	292.15	2.72	-42.67
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564759	0	51	-1.0	-54.99	395.65	1.16	-53.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1	REAL300025564760	0	34	-1.0	-61.12	317.46	2.42	-58.70
CCCCCCCC(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564761	0	55	-1.0	-43.80	452.34	4.32	-39.48
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300025564762	0	39	-1.0	-45.03	335.67	3.77	-41.26
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025564763	0	33	-1.0	-47.81	297.65	3.05	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300025564764	0	38	-1.0	-47.04	347.71	3.85	-43.19
CCOC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564765	0	40	-1.0	-46.80	340.69	3.25	-43.55
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564766	0	46	-1.0	-46.85	366.19	2.29	-44.56
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564767	0	35	-1.0	-48.59	318.71	-2.80	-51.39
CC1=CC=CC2=C1CC(C(=O)NCCC1=NC(=O)O[N-]1)N2C(=O)OC(C)(C)C	REAL300025564768	0	51	-1.0	-55.20	411.30	5.12	-50.08
CC1=CN2C=C(CC(=O)NCCC3=NC(=O)O[N-]3)N=C2S1	REAL300025564769	0	33	-1.0	-58.52	306.38	2.86	-55.66
COC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025564770	0	31	-1.0	-46.46	298.49	1.17	-45.29
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564771	0	40	-1.0	-56.76	336.66	3.60	-53.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL300025564772	0	33	-1.0	-51.49	308.58	2.63	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025564773	0	33	-1.0	-44.34	321.41	3.00	-41.34
CC1(C(=O)NCCC2=NC(=O)O[N-]2)COC2=CC=CC=C2O1	REAL300025564774	0	36	-1.0	-46.78	308.92	1.44	-45.34
COC(=O)C=CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564775	0	37	-1.0	-49.31	330.22	3.45	-45.86
CSC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025564776	0	31	-1.0	-44.94	302.65	3.10	-41.84
CC(C)(C)OC(=O)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025564777	0	41	-1.0	-50.83	354.15	0.89	-49.94
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564778	0	45	-1.0	-50.16	370.28	4.63	-45.53
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564779	0	45	-1.0	-51.51	387.96	6.08	-45.43
CC1=CC(C)=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025564780	0	40	-1.0	-46.36	333.72	4.46	-41.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300025564781	0	30	-1.0	-46.76	307.48	2.84	-43.92
O=C(C=CC1=CSC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564782	0	31	-1.0	-46.59	308.47	2.87	-43.72
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564783	0	44	-1.0	-49.08	377.91	2.30	-46.78
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1C(F)(F)F	REAL300025564784	0	36	-1.0	-46.07	294.48	2.40	-43.67
O=C(CC1=CSC(CCC(F)(F)F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025564785	0	35	-1.0	-48.26	335.65	1.81	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=CC(Br)=CC=C3C21	REAL300025564786	0	35	-1.0	-48.34	315.76	4.61	-43.73
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300025564787	0	34	-1.0	-47.07	312.62	3.95	-43.12
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC(C(F)(F)F)=N1	REAL300025564788	0	33	-1.0	-50.82	308.02	1.12	-49.70
CC1=CC=CC(COC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564789	0	40	-1.0	-50.63	343.60	3.97	-46.66
O=C(C=CC1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025564790	0	34	-1.0	-51.15	311.37	3.56	-47.59
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564791	0	51	-1.0	-49.15	407.78	3.80	-45.35
COC(=O)C1=COC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564792	0	34	-1.0	-50.00	317.24	1.62	-48.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCCC2)N=C1	REAL300025564793	0	40	-1.0	-46.64	334.98	2.83	-43.81
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025564794	0	49	-1.0	-45.74	402.60	1.10	-44.64
CCN1C(=O)CO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025564795	0	45	-1.0	-46.27	369.48	3.44	-42.83
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564796	0	44	-1.0	-54.19	371.79	2.55	-51.64
CC1(C)[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025564797	0	40	-1.0	-43.98	327.77	4.57	-39.41
O=C(CCC1=CC=C(F)C2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL300025564798	0	43	-1.0	-44.96	350.92	5.30	-39.66
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300025564799	0	47	-1.0	-45.45	393.84	0.87	-44.58
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564800	0	45	-1.0	-46.57	381.56	-0.82	-47.39
O=C(CC1=COC2=CC(Cl)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025564801	0	33	-1.0	-49.42	312.48	3.09	-46.33
CCC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL300025564802	0	37	-1.0	-45.83	319.49	2.87	-42.96
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL300025564803	0	32	-1.0	-46.07	275.99	0.30	-45.77
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025564804	0	39	-1.0	-45.80	337.36	5.17	-40.63
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCOC1	REAL300025564805	0	51	-1.0	-49.69	399.26	0.87	-48.82
CCOC(=O)C1(CC(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025564806	0	43	-1.0	-53.66	344.70	1.78	-51.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(O)=CC(Br)=C1	REAL300025564807	0	28	-1.0	-44.95	275.62	-0.69	-45.64
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025564808	0	36	-1.0	-45.64	324.65	4.08	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL300025564809	0	35	-1.0	-48.40	311.19	4.50	-43.90
O=C(CCCC1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564810	0	45	-1.0	-50.86	373.67	3.76	-47.10
COC1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025564811	0	43	-1.0	-46.69	363.87	3.06	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL300025564812	0	41	-1.0	-46.40	335.81	2.92	-43.48
CN1CC(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025564813	0	36	-1.0	-48.11	312.28	-1.96	-50.07
CC1=CC(Br)=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564814	0	30	-1.0	-49.93	289.85	2.88	-47.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O	REAL300025564815	0	37	-1.0	-52.14	336.54	2.82	-49.32
CN(C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1)C1=CC=CC=C1	REAL300025564816	0	38	-1.0	-44.63	347.72	3.87	-40.76
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1O	REAL300025564817	0	36	-1.0	-49.75	318.00	-0.12	-49.87
O=C(C=CC1=C(C(F)(F)F)SC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564818	0	31	-1.0	-49.92	303.52	2.70	-47.22
O=C(CCC1=CC=C(C(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564819	0	36	-1.0	-46.02	321.51	3.90	-42.12
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCOC2)=N1	REAL300025564820	0	37	-1.0	-44.38	325.35	0.12	-44.26
CN1C=C(CNC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=N1	REAL300025564821	0	42	-1.0	-51.18	362.33	1.95	-49.23
CN1C=CN=C1CNC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564822	0	42	-1.0	-52.04	359.17	2.49	-49.55
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=NC=CC=C12	REAL300025564823	0	31	-1.0	-47.39	286.22	-0.76	-48.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCCC2=CC=CC=N2)C=C1	REAL300025564824	0	44	-1.0	-49.94	375.21	3.15	-46.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCCN2C=CN=C2)C=C1	REAL300025564825	0	42	-1.0	-52.91	361.50	3.74	-49.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCCN2CCOCC2)C(Cl)=C1	REAL300025564826	0	48	-1.0	-48.64	402.30	0.22	-48.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCC2=CSC=C2)C=C1	REAL300025564827	0	39	-1.0	-47.56	349.50	3.09	-44.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2C=C1	REAL300025564828	0	33	-1.0	-47.05	310.63	4.40	-42.65
COC1=CC(I)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564829	0	31	-1.0	-47.73	298.39	3.20	-44.53
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC(F)=CC=C2F)=N1	REAL300025564830	0	37	-1.0	-53.74	337.60	2.98	-50.76
COC1=CC=CC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564831	0	40	-1.0	-49.92	328.45	2.45	-47.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=C1	REAL300025564832	0	37	-1.0	-50.27	337.24	3.37	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1C(F)(F)F	REAL300025564833	0	34	-1.0	-46.81	319.34	2.38	-44.43
COC1=CC=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564834	0	38	-1.0	-46.72	345.34	3.77	-42.95
CC(C)(C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564835	0	42	-1.0	-45.89	339.78	4.55	-41.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300025564836	0	40	-1.0	-46.04	359.56	4.15	-41.89
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1(F)F	REAL300025564837	0	41	-1.0	-56.89	355.89	-0.29	-57.18
O=C(C=CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564838	0	37	-1.0	-45.51	355.60	4.76	-40.75
O=C(C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564839	0	43	-1.0	-58.73	374.13	1.25	-57.48
COC(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025564840	0	34	-1.0	-46.53	318.74	1.80	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300025564841	0	31	-1.0	-44.02	305.45	1.97	-42.05
CN1C(=O)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC(F)=C1	REAL300025564842	0	41	-1.0	-45.76	351.46	2.97	-42.79
CN1C=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=N1	REAL300025564843	0	37	-1.0	-51.59	323.28	2.83	-48.76
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=C1	REAL300025564844	0	33	-1.0	-48.80	300.82	0.85	-47.95
CC(C)C1=CC=C(OC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=N2)C=C1	REAL300025564845	0	46	-1.0	-48.73	390.33	3.85	-44.88
O=C(CC1=CN2C=C(F)C=CC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025564846	0	33	-1.0	-54.90	300.45	2.89	-52.01
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL300025564847	0	40	-1.0	-58.47	339.76	1.89	-56.58
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025564848	0	36	-1.0	-48.61	314.07	2.73	-45.88
CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025564849	0	37	-1.0	-45.00	347.52	1.48	-43.52
CC(C)(C)N1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025564850	0	39	-1.0	-53.65	316.88	2.44	-51.21
CC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025564851	0	33	-1.0	-45.15	313.22	1.70	-43.45
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564852	0	35	-1.0	-44.68	315.30	3.02	-41.66
CC1=CSC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CN12	REAL300025564853	0	33	-1.0	-58.47	305.79	2.59	-55.88
O=C(CN1C=NC=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564854	0	37	-1.0	-52.13	319.58	4.28	-47.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN2C=CN=C12	REAL300025564855	0	30	-1.0	-47.96	290.20	3.28	-44.68
O=C(NCCC1=NC(=O)O[N-]1)C1CC2CCCCC(C1)C2=O	REAL300025564856	0	42	-1.0	-47.53	320.67	2.77	-44.76
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N1	REAL300025564857	0	39	-1.0	-48.92	342.02	0.96	-47.96
CC(C)(C)OC(=O)NC(CO)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564858	0	41	-1.0	-47.94	342.77	-4.05	-51.99
O=C(CC1=NC(F)=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025564859	0	29	-1.0	-47.70	280.97	0.37	-47.33
C=CC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564860	0	35	-1.0	-59.34	311.54	0.98	-58.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC(F)(F)F	REAL300025564861	0	35	-1.0	-47.99	313.81	1.95	-46.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1NCC(F)(F)F	REAL300025564862	0	35	-1.0	-45.79	330.52	2.46	-43.33
CCC1=CC2=C(SC=C2CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564863	0	36	-1.0	-48.27	338.91	4.23	-44.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL300025564864	0	28	-1.0	-41.73	275.53	0.64	-41.09
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=CC=C(Br)C=C3C21	REAL300025564865	0	35	-1.0	-47.05	315.75	4.61	-42.44
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025564866	0	33	-1.0	-50.13	327.63	3.55	-46.58
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564867	0	41	-1.0	-60.28	341.67	0.46	-59.82
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564868	0	45	-1.0	-50.32	382.65	0.72	-49.60
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564869	0	50	-1.0	-47.38	390.30	2.12	-45.26
O=C(CCC1=CC=C(N2CCCS2(=O)=O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564870	0	45	-1.0	-59.12	385.94	1.53	-57.59
CC1=CC2=C(SC=C2CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564871	0	33	-1.0	-48.51	317.41	3.46	-45.05
CC(C)(C)OC(=O)NC1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564872	0	44	-1.0	-47.21	360.67	0.27	-46.94
C[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025564873	0	43	-1.0	-53.25	353.78	0.27	-52.98
CC(C)(C)OC(=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)CC1CC1	REAL300025564874	0	50	-1.0	-47.45	406.26	4.11	-43.34
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025564875	0	51	-1.0	-58.91	401.38	3.33	-55.58
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564876	0	44	-1.0	-47.03	367.30	2.39	-44.64
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1	REAL300025564877	0	43	-1.0	-44.57	359.05	5.64	-38.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1O	REAL300025564878	0	28	-1.0	-46.02	279.91	1.18	-44.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025564878	1	27	-2.0	-101.77	276.35	2.19	-99.58
COC(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025564879	0	39	-1.0	-48.43	328.92	1.93	-46.50
O=C(CCC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025564880	0	39	-1.0	-46.32	331.82	5.15	-41.17
CC(CCC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564881	0	39	-1.0	-47.97	333.41	4.40	-43.57
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025564882	0	39	-1.0	-44.83	319.72	3.84	-40.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL300025564883	0	29	-1.0	-45.99	293.39	1.59	-44.40
CCN1N=CN=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564884	0	39	-1.0	-48.00	333.16	4.03	-43.97
O=C(CN1C=CC(Br)=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025564885	0	30	-1.0	-54.99	293.44	1.45	-53.54
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CN=C1)C1CCCC1	REAL300025564886	0	45	-1.0	-51.10	356.30	3.98	-47.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL300025564887	0	29	-1.0	-43.96	293.76	1.58	-42.38
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564888	0	40	-1.0	-55.13	352.74	0.52	-54.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C(Br)C=CC=C12	REAL300025564889	0	33	-1.0	-45.95	303.22	4.32	-41.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300025564890	0	37	-1.0	-52.81	329.94	1.91	-50.90
CC1(C)CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025564891	0	38	-1.0	-50.28	320.58	2.78	-47.50
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564892	0	35	-1.0	-52.52	318.54	1.05	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1N1CCOCC1	REAL300025564893	0	39	-1.0	-47.12	324.03	-0.21	-47.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025564894	0	27	-2.0	-99.59	276.08	1.78	-97.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1O	REAL300025564894	1	28	-1.0	-45.12	279.65	0.77	-44.35
COC1CCN(CC2=CN(C)N=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564895	0	46	-1.0	-50.76	381.69	-1.00	-51.76
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564895	1	47	0.0	-57.60	384.71	1.53	-56.07
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564895	1	47	0.0	-57.62	384.90	1.54	-56.08
CN1C=C(CN2CCC(O)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564896	0	43	-1.0	-52.30	344.95	-4.19	-56.49
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564896	1	44	0.0	-58.03	362.30	-0.82	-58.85
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564896	1	44	0.0	-61.76	362.73	-0.83	-62.59
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564897	0	51	0.0	-67.41	405.37	1.13	-66.28
CN1CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C1	REAL300025564898	0	40	-1.0	-47.08	328.02	-2.50	-49.58
C[NH+]1CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C1	REAL300025564898	1	41	0.0	-67.47	332.12	0.67	-66.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1Br	REAL300025564899	0	26	-1.0	-42.54	276.43	0.90	-41.64
CC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025564900	0	33	-1.0	-45.97	307.81	1.29	-44.68
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564901	0	38	-1.0	-43.84	331.27	3.54	-40.30
CC1NC2=CC=NN2C(C)C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564902	0	45	-1.0	-51.93	356.97	1.62	-50.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300025564903	0	33	-1.0	-47.88	332.86	3.66	-44.22
C=CC(=O)NC1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564904	0	36	-1.0	-51.78	320.36	-0.48	-52.26
O=CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1C1=CC=CC=C1	REAL300025564905	0	39	-1.0	-56.88	349.59	2.84	-54.04
COC1=CC=C(C2=NN(CC(=O)NCCC3=NC(=O)O[N-]3)C=C2C=O)C=C1	REAL300025564906	0	43	-1.0	-57.25	379.03	2.13	-55.12
CC(C)(CC1=CC=C(O)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564907	0	40	-1.0	-45.61	329.94	1.01	-44.60
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(O)C=C2)CC1	REAL300025564908	0	38	-1.0	-51.24	331.06	1.25	-49.99
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1Br	REAL300025564909	0	34	-1.0	-46.33	318.26	3.93	-42.40
CN1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1CO	REAL300025564910	0	37	-1.0	-57.81	322.40	-0.77	-58.58
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564911	0	36	-1.0	-47.30	311.87	-0.26	-47.56
CN1C=C([C@@H]2[C@@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@@H](O)C(=O)N2C)C=N1	REAL300025564912	0	42	-1.0	-49.45	361.33	-2.82	-52.27
O=C(NCCC1=NC(=O)O[N-]1)C(CCCO)C1=CC=CC=C1	REAL300025564913	0	40	-1.0	-47.87	336.27	0.90	-46.97
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564914	0	42	-1.0	-44.12	355.48	1.86	-42.26
CC(C1=CC=CC=C1F)C(O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564915	0	37	-1.0	-44.79	313.71	1.70	-43.09
CS(C)(=O)=NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564916	0	37	-1.0	-62.84	324.19	-0.04	-62.88
O=C(CC1=CC=C(Br)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025564917	0	30	-1.0	-46.17	303.46	3.27	-42.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300025564918	0	38	-1.0	-46.34	325.91	3.54	-42.80
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025564919	0	35	-1.0	-53.34	311.59	1.96	-51.38
O=CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C([O-])=C2)O1	REAL300025564920	0	36	-2.0	-123.50	332.13	3.23	-120.27
O=CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(O)=C2)O1	REAL300025564920	1	37	-1.0	-58.83	335.70	2.22	-56.61
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL300025564921	0	33	-1.0	-41.86	302.76	1.49	-40.37
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564922	0	34	-1.0	-61.18	329.34	-0.22	-61.40
CS(C)(=O)=NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564923	0	37	-1.0	-60.49	322.46	0.13	-60.36
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(O)CN1C(=O)OCC1=CC=CC=C1	REAL300025564924	0	49	-1.0	-52.81	411.74	1.38	-51.43
O=C(CS(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025564925	0	32	-1.0	-54.79	315.18	0.81	-53.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1C1CC1	REAL300025564926	0	34	-1.0	-43.96	308.44	4.21	-39.75
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300025564927	0	30	-1.0	-49.06	299.30	3.45	-45.61
CC1=CC2=C(S1)C(CC(=O)NCCC1=NC(=O)O[N-]1)=CS2	REAL300025564928	0	33	-1.0	-48.36	316.71	3.44	-44.92
CN1N=C2CCSCC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564929	0	35	-1.0	-45.32	312.42	1.26	-44.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2	REAL300025564930	0	38	-1.0	-52.61	330.35	3.17	-49.44
CC1=CC=C(NC2CC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564931	0	39	-1.0	-45.68	325.29	3.05	-42.63
CCCCNC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025564932	0	40	-1.0	-51.15	352.77	1.65	-49.50
CC1(NC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)CCCC1	REAL300025564933	0	44	-1.0	-52.05	364.98	2.10	-49.95
O=C(CCCC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025564934	0	38	-1.0	-56.96	331.05	3.63	-53.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL300025564935	0	33	-1.0	-48.38	298.91	0.95	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL300025564936	0	40	-1.0	-45.04	337.44	-1.13	-46.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300025564937	0	35	-1.0	-59.94	317.94	-4.13	-64.07
O=C(NCCC1=NC(=O)O[N-]1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300025564938	0	37	-1.0	-44.65	318.40	3.89	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300025564939	0	43	-1.0	-48.56	353.82	3.80	-44.76
CC1=CC=NC(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025564940	0	40	-1.0	-48.55	351.18	2.59	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=NC=CN2)=N1	REAL300025564941	0	30	-1.0	-51.03	292.33	-0.91	-51.94
CC(SC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025564942	0	37	-1.0	-61.54	345.81	-2.41	-63.95
CC(C)(C)OC(=O)CCC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025564943	0	49	-1.0	-47.15	394.43	2.91	-44.24
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564944	0	45	-1.0	-53.04	361.24	2.54	-50.50
COCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564945	0	47	-1.0	-44.66	379.19	-1.15	-45.81
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025564946	0	50	-1.0	-52.17	395.02	2.46	-49.71
C=CCOC(=O)[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025564947	0	50	-1.0	-53.03	422.45	2.05	-50.98
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](F)CN1C(=O)OCC1=CC=CC=C1	REAL300025564948	0	45	-1.0	-56.10	390.66	3.92	-52.18
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564949	0	43	-1.0	-53.37	362.67	0.08	-53.29
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564950	0	44	-1.0	-50.41	367.10	-0.80	-51.21
CC(C)C[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025564951	0	52	-1.0	-46.27	405.60	4.07	-42.20
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564952	0	55	-1.0	-49.71	405.29	2.25	-47.46
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564953	0	53	-1.0	-49.24	401.87	3.34	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC=C1C(F)(F)F	REAL300025564954	0	34	-1.0	-43.61	302.82	1.16	-42.45
CCN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC(C)=C1	REAL300025564955	0	47	-1.0	-57.16	383.87	4.27	-52.89
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564956	0	42	-1.0	-41.75	353.74	4.64	-37.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O	REAL300025564957	0	36	-1.0	-49.60	326.63	2.09	-47.51
O=C(C=CC1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025564958	0	34	-1.0	-49.13	303.88	1.40	-47.73
O=C(C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025564959	0	41	-1.0	-47.83	368.74	6.67	-41.16
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025564960	0	47	-1.0	-54.82	389.25	4.07	-50.75
CC(C)(C)OC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025564961	0	43	-1.0	-49.06	361.76	1.50	-47.56
CC(C)C1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025564962	0	45	-1.0	-52.81	391.73	5.09	-47.72
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025564963	0	39	-1.0	-57.61	358.12	-1.54	-59.15
C[C@H]1CC[C@H](C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)CC1	REAL300025564964	0	45	-1.0	-48.47	378.19	3.72	-44.75
COC1=CC=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C=C1	REAL300025564965	0	37	-1.0	-43.94	331.37	1.86	-42.08
CCC1=CC=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C=C1	REAL300025564966	0	39	-1.0	-42.89	344.82	4.02	-38.87
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025564967	0	39	-1.0	-46.33	337.30	4.14	-42.19
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025564968	0	36	-1.0	-49.08	307.98	3.18	-45.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2F)=N1	REAL300025564969	0	39	-1.0	-45.14	352.27	3.74	-41.40
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300025564970	0	39	-1.0	-44.06	353.86	3.77	-40.29
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025564971	0	39	-1.0	-44.19	366.17	4.15	-40.04
COC(=O)C1=NN(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564972	0	39	-1.0	-58.83	347.78	1.69	-57.14
CCCCC1=NC(C)=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025564973	0	41	-1.0	-48.54	358.66	3.03	-45.51
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCC2)=N1	REAL300025564974	0	39	-1.0	-48.86	342.06	2.86	-46.00
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(C2=NN(C)C=C2)=N1	REAL300025564975	0	39	-1.0	-55.71	357.30	1.48	-54.23
CC(C)(CC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564976	0	39	-1.0	-43.85	340.23	4.49	-39.36
NC1=CC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564977	0	32	-1.0	-42.71	291.77	0.74	-41.97
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(N)=C1	REAL300025564978	0	35	-1.0	-51.43	314.28	-2.72	-54.15
C=CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025564979	0	35	-1.0	-53.96	311.69	0.96	-53.00
NC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564980	0	29	-1.0	-42.73	274.94	0.37	-42.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=C2)C=C1O	REAL300025564981	0	36	-1.0	-48.62	312.83	2.87	-45.75
NC1=CC(I)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564982	0	29	-1.0	-42.54	281.43	0.85	-41.69
CCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(N)=C1	REAL300025564983	0	38	-1.0	-50.43	335.75	-1.82	-52.25
COC(=O)CCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564984	0	39	-1.0	-49.82	333.05	3.74	-46.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300025564985	0	38	-1.0	-51.20	326.61	1.06	-50.14
CCC(SC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025564986	0	40	-1.0	-60.40	369.50	-1.51	-61.91
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300025564987	0	37	-1.0	-55.09	300.31	-1.21	-56.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N=CNC2=C1	REAL300025564988	0	32	-1.0	-55.30	289.05	-0.15	-55.45
O=C(CC1=CC=CC=C1N1CCCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025564989	0	41	-1.0	-48.42	348.74	3.76	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025564990	0	44	-1.0	-48.15	373.88	3.43	-44.72
C=CCCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025564991	0	43	-1.0	-45.16	361.44	5.50	-39.66
CC1(C(=O)NCCC2=NC(=O)O[N-]2)OCCC2=CC=CC=C21	REAL300025564992	0	38	-1.0	-45.02	312.94	2.10	-42.92
COC1=CC=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025564993	0	41	-1.0	-51.63	355.32	1.76	-49.87
CC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025564994	0	40	-1.0	-48.60	351.34	2.56	-46.04
CC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025564995	0	37	-1.0	-53.33	314.35	2.16	-51.17
CCNC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025564996	0	34	-1.0	-45.37	310.97	1.09	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=NN1	REAL300025564997	0	24	-1.0	-44.31	244.26	-1.36	-45.67
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(=O)[N-]C=N1	REAL300025564998	0	25	-2.0	-84.25	257.82	-2.14	-86.39
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(=O)NC=N1	REAL300025564998	1	26	-1.0	-53.90	261.21	-0.99	-54.89
C[NH+](C)CCSC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025564999	0	42	0.0	-78.03	372.95	2.58	-75.45
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1C1=CC=CC=N1	REAL300025565000	0	35	-1.0	-50.14	313.22	1.60	-48.54
CCSC1=NC(C)=C(C(CC)C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565001	0	42	-1.0	-48.17	373.75	3.34	-44.83
CN(C)C1(C(=O)NCCC2=NC(=O)O[N-]2)COC2=CC=CC=C2C1	REAL300025565002	0	43	-1.0	-47.62	337.20	0.97	-46.65
C[NH+](C)C1(C(=O)NCCC2=NC(=O)O[N-]2)COC2=CC=CC=C2C1	REAL300025565002	1	44	0.0	-76.50	338.05	4.35	-72.15
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL300025565003	0	38	-1.0	-49.03	333.51	3.10	-45.93
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1NCC1CCC1	REAL300025565004	0	41	-1.0	-45.56	340.10	1.90	-43.66
COCCNC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025565005	0	38	-1.0	-53.99	343.37	-0.81	-54.80
CC1=CC=C(Cl)C=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565006	0	34	-1.0	-48.00	313.65	3.34	-44.66
CC1=CC(C(F)(F)F)=NC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565007	0	31	-1.0	-48.93	298.47	0.69	-48.24
CCCCCC=CCC=CCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565008	0	64	-1.0	-45.82	512.56	10.63	-35.19
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300025565009	0	37	-1.0	-48.56	334.90	4.59	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(NC2CCCCC2)=N1	REAL300025565010	0	41	-1.0	-43.81	351.56	2.03	-41.78
O=C(CN1CCCCS1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025565011	0	35	-1.0	-59.71	305.42	-2.08	-61.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300025565012	0	31	-1.0	-46.07	298.47	1.69	-44.38
CC1(C)[C@@H](C=C(Cl)C2=CC=C(Cl)C=C2)[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565013	0	44	-1.0	-47.19	393.34	6.96	-40.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Br)=C1	REAL300025565014	0	31	-1.0	-46.00	302.85	1.80	-44.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2=C(F)C=CC=C21	REAL300025565015	0	35	-1.0	-48.11	302.42	2.20	-45.91
CS(=O)(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565016	0	39	-1.0	-62.71	321.77	-1.02	-63.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1	REAL300025565017	0	39	-1.0	-45.58	353.84	4.27	-41.31
O=C(CN1N=C(C(F)F)C=C1C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025565018	0	37	-1.0	-51.86	335.04	2.42	-49.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300025565019	0	34	-1.0	-46.09	319.84	4.30	-41.79
CCC(CC1=CC=CC(C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565020	0	42	-1.0	-46.41	341.26	4.89	-41.52
CC(C)(C)OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565021	0	40	-1.0	-49.64	323.68	2.66	-46.98
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC(Br)=C2)CC1	REAL300025565022	0	34	-1.0	-44.30	331.88	4.38	-39.92
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565023	0	35	-1.0	-46.34	308.64	2.96	-43.38
COC1=CC(OC)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025565024	0	48	-1.0	-48.03	381.58	3.42	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCOCC1	REAL300025565025	0	45	-1.0	-45.80	339.25	1.17	-44.63
CC(C)(C)OC(=O)NC1=NC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565026	0	46	-1.0	-50.98	398.18	2.04	-48.94
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)C2	REAL300025565027	0	48	-1.0	-48.55	392.84	1.50	-47.05
CC(C)(C)OC(=O)NC1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025565028	0	50	-1.0	-46.51	392.41	1.73	-44.78
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565029	0	50	-1.0	-48.09	390.30	2.11	-45.98
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1(F)F	REAL300025565030	0	44	-1.0	-53.69	372.14	0.51	-53.18
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025565031	0	51	-1.0	-53.15	397.43	3.25	-49.90
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565032	0	47	-1.0	-47.78	396.85	-0.38	-48.16
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300025565033	0	52	-1.0	-52.16	412.36	0.69	-51.47
CC1=CC=C2OCC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025565034	0	36	-1.0	-46.54	310.58	2.73	-43.81
O=C(NCCC1=NC(=O)O[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL300025565035	0	34	-1.0	-46.72	300.05	-1.28	-48.00
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025565036	0	39	-1.0	-49.59	336.46	1.95	-47.64
O=C(C=CC1=CC=C(SC(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565037	0	35	-1.0	-47.34	327.42	3.99	-43.35
O=C(C=CC1=CC=C(I)O1)NCCC1=NC(=O)O[N-]1	REAL300025565038	0	28	-1.0	-44.22	288.70	2.12	-42.10
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565039	0	51	-1.0	-48.73	413.08	3.57	-45.16
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025565040	0	40	-1.0	-53.33	341.62	2.13	-51.20
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565041	0	40	-1.0	-50.50	340.32	1.01	-49.49
CC(C)(C)OC(=O)C=CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025565042	0	43	-1.0	-49.96	370.06	3.67	-46.29
COC1=CC=C(OC)C(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565043	0	39	-1.0	-49.80	335.64	1.38	-48.42
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025565044	0	43	-1.0	-46.16	373.63	3.84	-42.32
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565045	0	42	-1.0	-48.22	344.38	3.17	-45.05
O=C(CC1=CSC(C2CCCC2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025565046	0	39	-1.0	-48.79	338.41	2.45	-46.34
CC1(C)CCC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=NO2	REAL300025565047	0	39	-1.0	-44.79	319.57	2.47	-42.32
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300025565048	0	39	-1.0	-44.91	348.59	3.75	-41.16
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300025565049	0	34	-1.0	-46.56	314.77	1.27	-45.29
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300025565050	0	42	-1.0	-50.79	365.90	3.27	-47.52
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025565051	0	30	-1.0	-40.24	290.36	2.45	-37.79
CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025565052	0	30	-1.0	-46.06	287.63	0.60	-45.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN1CC1=CC=CC=C1	REAL300025565053	0	41	-1.0	-49.12	349.13	5.48	-43.64
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025565054	0	30	-1.0	-47.58	291.09	1.35	-46.23
C=CCNS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565055	0	39	-1.0	-54.16	370.79	-1.05	-55.21
O=C(CCC1CCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565056	0	40	-1.0	-46.66	329.95	4.69	-41.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL300025565057	0	29	-1.0	-45.17	279.58	0.82	-44.35
CC1=NN(C2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565058	0	41	-1.0	-48.28	339.02	0.73	-47.55
COC1=CC=C(CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025565059	0	47	-1.0	-49.92	391.07	3.79	-46.13
COC1=CC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025565060	0	41	-1.0	-46.41	336.96	3.20	-43.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC=C(I)C2=C1	REAL300025565061	0	31	-1.0	-51.27	302.87	2.69	-48.58
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025565062	0	33	-1.0	-46.55	325.98	1.58	-44.97
CC1=CC(C)=NC(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=N1	REAL300025565063	0	46	-1.0	-50.34	375.00	3.54	-46.80
O=C(CCN1CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025565064	0	38	-1.0	-53.50	332.78	2.40	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL300025565065	0	32	-1.0	-49.67	290.73	1.31	-48.36
O=C(NCCC1=NC(=O)O[N-]1)[C@@H](CC1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025565066	0	48	-1.0	-60.37	404.65	7.29	-53.08
CN1N=CC2=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025565067	0	36	-1.0	-51.38	317.29	2.20	-49.18
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CN=CC=C12	REAL300025565068	0	36	-1.0	-50.68	308.20	1.36	-49.32
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565069	0	34	-1.0	-43.29	321.50	2.24	-41.05
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](OC(F)F)CC1	REAL300025565070	0	37	-1.0	-46.71	310.75	1.07	-45.64
COC1=CC=CN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025565071	0	34	-1.0	-53.69	296.90	1.92	-51.77
CC1=CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(=O)N1	REAL300025565072	0	32	-1.0	-56.01	290.81	-1.16	-57.17
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL300025565073	0	38	-1.0	-45.50	330.03	4.30	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)F)=CN1	REAL300025565074	0	28	-1.0	-52.91	277.99	-3.51	-56.42
CCOC(=O)N(C)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565075	0	40	-1.0	-53.49	342.55	1.27	-52.22
O=C(CC1CCC2(CCOCC2)CO1)NCCC1=NC(=O)O[N-]1	REAL300025565076	0	45	-1.0	-48.82	345.04	1.51	-47.31
CC1=CC(C)=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025565077	0	39	-1.0	-47.37	338.31	4.32	-43.05
COC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025565078	0	44	-1.0	-52.08	369.57	3.00	-49.08
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300025565079	0	34	-1.0	-45.13	305.89	3.62	-41.51
CCOC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025565080	0	50	-1.0	-51.92	413.28	4.85	-47.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300025565081	0	29	-1.0	-45.39	285.83	1.21	-44.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1C(=O)N=CN2	REAL300025565082	0	32	-1.0	-74.97	287.53	1.17	-73.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300025565082	1	31	-2.0	-103.14	284.21	0.70	-102.44
C[NH+](C)CCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565083	0	42	0.0	-70.68	344.15	4.28	-66.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC(=O)C=CC2=C1	REAL300025565084	0	33	-1.0	-57.11	294.44	1.35	-55.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CN=C1Br	REAL300025565085	0	26	-1.0	-46.29	278.05	0.48	-45.81
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1SC2=CC=CC=C2C1=O	REAL300025565086	0	43	-1.0	-51.74	381.49	5.27	-46.47
CC(C)(C)OC(=O)N1CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C1	REAL300025565087	0	47	-1.0	-48.66	397.12	0.06	-48.60
CS(=O)(=O)CC1(C(=O)NCCC2=NC(=O)O[N-]2)COC1	REAL300025565088	0	34	-1.0	-57.17	299.11	-2.76	-59.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL300025565089	0	38	-1.0	-54.96	327.07	3.15	-51.81
CC(C)(C)OC(=O)N1CC(N2N=NC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565090	0	47	-1.0	-47.49	393.42	0.38	-47.11
O=CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025565091	0	39	-1.0	-50.80	340.57	4.68	-46.12
O=C(CCCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565092	0	36	-1.0	-47.80	332.12	4.43	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300025565093	0	34	-1.0	-45.95	317.50	2.83	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCCC2=C1Br	REAL300025565094	0	31	-1.0	-49.59	291.96	0.77	-48.82
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025565095	0	48	-1.0	-53.74	394.41	2.63	-51.11
O=C(CC1=CN=C2NC=CC(Cl)=C12)NCCC1=NC(=O)O[N-]1	REAL300025565096	0	33	-1.0	-59.16	306.99	1.89	-57.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN(C2CC2)C1=O	REAL300025565097	0	34	-1.0	-49.36	314.80	2.64	-46.72
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300025565098	0	30	-1.0	-48.92	297.77	2.82	-46.10
CC1=C2OC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1Cl	REAL300025565099	0	36	-1.0	-49.71	331.17	3.67	-46.04
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565100	0	37	-1.0	-50.01	327.89	2.95	-47.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300025565101	0	40	0.0	-71.72	333.44	2.89	-68.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCC2)O1	REAL300025565101	1	39	-1.0	-43.61	329.84	0.30	-43.31
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025565102	0	48	0.0	-72.79	393.02	3.80	-68.99
C[N@@H+]1CC(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)C1	REAL300025565103	0	36	0.0	-73.15	307.45	1.69	-71.46
C[N@H+]1CC(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)C1	REAL300025565103	1	36	0.0	-70.05	300.25	1.67	-68.38
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300025565104	0	44	-1.0	-48.60	351.76	1.55	-47.05
O=C(NCCC1=NC(=O)O[N-]1)[C@H](CC1=CNC=N1)NC(=O)C1CCCCC1	REAL300025565105	0	50	-1.0	-47.46	399.77	2.59	-44.87
O=C(NCCC1=NC(=O)O[N-]1)[C@H](CC1=CN=CN1)NC(=O)C1CCCCC1	REAL300025565105	1	50	-1.0	-48.31	398.97	1.91	-46.40
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300025565106	0	26	-2.0	-95.85	267.13	-0.01	-95.86
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1O	REAL300025565106	1	27	-1.0	-43.86	270.69	-1.01	-44.87
O=C(CC1=NC(C2CCCC2)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025565107	0	39	-1.0	-49.18	337.00	2.45	-46.73
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565108	0	36	-1.0	-45.72	318.21	1.07	-44.65
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565109	0	36	-1.0	-45.89	318.34	1.09	-44.80
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565110	0	37	-1.0	-53.91	331.02	-2.40	-56.31
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565111	0	53	-1.0	-45.81	407.67	3.11	-42.70
O=C(C=CC1=CC(Br)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025565112	0	31	-1.0	-46.99	304.64	3.40	-43.59
COC1=CC2=CC=C(C=CC(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025565113	0	41	-1.0	-48.58	353.40	4.30	-44.28
O=C(CC1=NC(C2CCCCC2)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025565114	0	42	-1.0	-48.91	355.54	3.07	-45.84
O=C(CC1=NN=C(C2CCOCC2)N1)NCCC1=NC(=O)O[N-]1	REAL300025565115	0	40	-1.0	-58.50	336.25	0.17	-58.33
O=C(CC1=NNC(C2CCOCC2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025565115	1	40	-1.0	-52.03	337.49	-0.42	-52.45
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025565116	0	47	-1.0	-47.94	400.60	6.31	-41.63
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300025565117	0	39	-1.0	-46.43	330.55	4.04	-42.39
CC1=CC=C([N+](=O)[O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025565118	0	35	-1.0	-54.59	308.33	3.39	-51.20
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025565119	0	27	-1.0	-51.86	267.19	-0.22	-52.08
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=C(Br)C=C2C(=O)O1	REAL300025565120	0	34	-1.0	-54.56	323.70	3.86	-50.70
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025565121	0	38	-1.0	-61.55	325.89	3.22	-58.33
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCCC2	REAL300025565122	0	35	-1.0	-61.65	301.81	-0.59	-62.24
CC1=NC(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N1	REAL300025565123	0	35	-1.0	-53.94	310.61	-0.21	-54.15
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(CC(F)(F)F)=N1	REAL300025565124	0	35	-1.0	-48.79	334.67	1.85	-46.94
C[C@H](NC(=O)CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025565125	0	43	-1.0	-46.08	366.45	2.24	-43.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL300025565126	0	29	-1.0	-44.14	293.43	1.65	-42.49
NC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025565127	0	31	-1.0	-46.88	296.47	0.85	-46.03
CC1=CC(C)=NC(NC2=CC=C(Cl)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025565128	0	43	-1.0	-49.22	381.09	5.78	-43.44
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025565129	0	33	-1.0	-51.66	308.54	2.70	-48.96
CCSC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565130	0	37	-1.0	-47.75	326.87	3.97	-43.78
C=CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025565131	0	43	-1.0	-49.50	371.22	3.45	-46.05
CCCCC1=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025565132	0	46	-1.0	-46.54	394.38	6.38	-40.16
CC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025565133	0	51	-1.0	-47.76	398.22	6.38	-41.38
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC(Br)=C1	REAL300025565134	0	31	-1.0	-44.52	297.33	0.89	-43.63
O=C(CC1=CC=CC=C1F)N1CC(O)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565135	0	45	-1.0	-60.59	386.81	0.42	-60.17
CC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025565136	0	34	-1.0	-48.35	317.51	3.92	-44.43
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565137	0	44	-1.0	-54.69	360.69	0.41	-54.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1[N+](=O)[O-]	REAL300025565138	0	38	-1.0	-60.16	333.09	3.34	-56.82
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025565139	0	44	-1.0	-51.69	369.54	0.25	-51.44
CC(C)(C)OC(=O)N1CC(C#N)C2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025565140	0	52	-1.0	-55.04	423.60	3.45	-51.59
CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565141	0	49	-1.0	-52.72	409.12	-2.66	-55.38
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565142	0	47	-1.0	-44.65	382.56	1.67	-42.98
O=C(CC1CCC2=C(C=CS2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025565143	0	36	-1.0	-56.77	318.29	4.12	-52.65
CC(C)(C)OC(=O)NCCCN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565144	0	50	-1.0	-52.02	418.24	0.71	-51.31
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)NCCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025565145	0	48	-1.0	-54.16	369.52	4.24	-49.92
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565146	0	56	-1.0	-53.77	445.32	-0.30	-54.07
CC(C)(C)OC(=O)NC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565147	0	47	-1.0	-52.54	381.84	1.06	-51.48
COC1(C(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)C1	REAL300025565148	0	34	-1.0	-51.78	294.70	-3.67	-55.45
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565149	0	47	-1.0	-47.50	397.47	6.42	-41.08
CC(C)(C)OC(=O)NC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565150	0	40	-1.0	-49.67	354.47	0.49	-49.18
CC(C)(C)OC(=O)NOCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565151	0	38	-1.0	-56.14	326.85	-0.29	-56.43
CN(CCCCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025565152	0	49	-1.0	-50.31	397.34	3.16	-47.15
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025565153	0	53	-1.0	-53.33	418.86	3.39	-49.94
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565154	0	47	-1.0	-44.29	390.25	1.02	-43.27
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565155	0	45	-1.0	-52.38	358.50	0.59	-51.79
CCOC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2(Cl)Cl)C=C1	REAL300025565156	0	41	-1.0	-45.94	375.91	4.68	-41.26
CC12CC3CC(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025565157	0	44	-1.0	-45.02	328.29	3.98	-41.04
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300025565158	0	40	-1.0	-51.98	339.23	2.38	-49.60
COC1=CC=CC(C(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565159	0	34	-1.0	-55.39	306.34	1.65	-53.74
CC1=CC=C(F)C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565160	0	30	-1.0	-46.66	292.29	2.49	-44.17
CC(C)C1=NC=C(OCC2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565161	0	48	-1.0	-47.75	408.32	5.27	-42.48
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025565162	0	46	-1.0	-49.46	361.69	2.83	-46.63
CN1C(=O)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=C(F)C=C1	REAL300025565163	0	41	-1.0	-46.44	351.45	2.97	-43.47
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565164	0	44	-1.0	-55.05	357.27	1.88	-53.17
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025565165	0	40	-1.0	-51.99	343.48	3.71	-48.28
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565166	0	47	-1.0	-52.21	384.83	2.34	-49.87
CC(C)(C)OC(=O)N1C(C(=O)NCCC2=NC(=O)O[N-]2)CCC2CCCCC21	REAL300025565167	0	57	-1.0	-49.38	423.39	4.83	-44.55
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565168	0	45	-1.0	-58.68	376.85	3.92	-54.76
COC1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025565169	0	34	-1.0	-53.05	300.10	0.04	-53.01
CC1=CC=C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025565170	0	38	-1.0	-53.40	332.79	3.55	-49.85
CC1=CC=C(C)C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=C1	REAL300025565171	0	41	-1.0	-52.63	348.16	4.41	-48.22
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025565172	0	38	-1.0	-48.47	351.41	3.07	-45.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2N=CC(Br)=C12	REAL300025565173	0	30	-1.0	-50.96	293.89	1.68	-49.28
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565174	0	41	-1.0	-49.62	322.24	3.49	-46.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)S1	REAL300025565175	0	34	-1.0	-48.56	341.35	2.96	-45.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)S1	REAL300025565176	0	34	-1.0	-48.66	336.72	2.85	-45.81
CCC1=NC(C)=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025565177	0	40	-1.0	-51.21	336.10	1.77	-49.44
CC(C)(C)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565178	0	43	-1.0	-47.51	333.60	1.97	-45.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1Br	REAL300025565179	0	33	-1.0	-44.09	314.23	2.36	-41.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC(Cl)=CC=C1Cl	REAL300025565180	0	33	-1.0	-42.70	328.35	2.59	-40.11
O=C(COCCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565181	0	37	-1.0	-48.55	345.20	4.01	-44.54
O=C(CCCC1=CC=C(C2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565182	0	43	-1.0	-47.93	360.05	5.91	-42.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)NC1=O	REAL300025565183	0	35	-1.0	-51.33	299.32	-1.25	-52.58
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL300025565184	0	36	-1.0	-44.57	325.34	3.43	-41.14
COC1=CC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025565185	0	36	-1.0	-47.57	314.04	1.24	-46.33
CC(C)C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025565186	0	47	-1.0	-59.87	385.25	4.97	-54.90
CC1=C(C2=CC=CC=C2)N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025565187	0	40	-1.0	-52.63	352.94	3.54	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=N2)=NO1	REAL300025565188	0	34	-1.0	-52.54	307.56	1.13	-51.41
CC1=CC(Br)=C(CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565189	0	30	-1.0	-45.85	299.49	2.68	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=CC=CC=C23)=NN1	REAL300025565190	0	38	-1.0	-48.55	338.71	1.58	-46.97
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025565191	0	34	-1.0	-48.95	316.33	3.30	-45.65
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565192	0	42	-1.0	-51.44	369.72	-4.01	-55.45
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565193	0	42	-1.0	-52.04	373.30	-3.98	-56.02
O=C(NCCC1=NC(=O)O[N-]1)C(CO)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025565194	0	39	-1.0	-52.37	367.86	-4.20	-56.57
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025565195	0	46	-1.0	-44.36	360.02	2.04	-42.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NCC2=CN=CS2)=C1	REAL300025565196	0	38	-1.0	-49.34	344.45	1.38	-47.96
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025565197	0	33	-1.0	-44.45	302.26	3.41	-41.04
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=NC=CC=C1Br	REAL300025565198	0	29	-1.0	-45.70	287.82	1.69	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C(=O)NC1=CC=CC(C(F)(F)F)=C1	REAL300025565199	0	34	-1.0	-40.85	319.50	0.78	-40.07
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=NO1	REAL300025565200	0	36	-1.0	-47.23	329.42	3.57	-43.66
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Br	REAL300025565201	0	36	-1.0	-46.87	336.28	2.48	-44.39
O=C(NCCC1=NC(=O)O[N-]1)[C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025565202	0	45	-1.0	-61.60	381.27	5.31	-56.29
COC1=CC=CC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565203	0	34	-1.0	-43.58	307.04	1.62	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN(CC(F)(F)F)C1=O	REAL300025565204	0	33	-1.0	-56.23	304.06	1.90	-54.33
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025565205	0	31	-1.0	-48.50	312.88	2.16	-46.34
CC1=CC(C#N)=CC(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565206	0	37	-1.0	-48.41	322.78	3.61	-44.80
O=C(CCN1SC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025565207	0	36	-1.0	-51.71	331.94	2.63	-49.08
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025565208	0	44	-1.0	-50.29	377.37	3.81	-46.48
O=C(NCCC1=NC(=O)O[N-]1)C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300025565209	0	34	-1.0	-42.24	324.96	3.83	-38.41
NS(=O)(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025565210	0	29	-1.0	-61.13	283.32	-3.15	-64.28
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025565211	0	35	-1.0	-47.07	330.13	4.06	-43.01
CC1=CC=CN=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565212	0	40	-1.0	-48.93	349.86	2.62	-46.31
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(F)=CC=C2NC1=O	REAL300025565213	0	35	-1.0	-44.89	309.94	0.58	-44.31
COC1=CC=C(CCNC(=O)NC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565214	0	49	-1.0	-48.46	413.40	0.36	-48.10
CCC(C)C(NC(=O)NC1=CC(C)=CC=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565215	0	54	-1.0	-45.99	422.67	4.01	-41.98
CS(C)(=O)=NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565216	0	40	-1.0	-66.43	367.14	-1.77	-68.20
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565217	0	39	-1.0	-59.91	337.76	0.60	-59.31
CN1CCN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)CC1	REAL300025565218	0	44	-1.0	-45.03	370.33	-0.31	-45.34
C[NH+]1CCN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)CC1	REAL300025565218	1	45	0.0	-72.12	373.29	2.06	-70.06
COC1=NSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025565219	0	27	-1.0	-42.64	281.38	-1.95	-44.59
CC(C)(CO)C1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025565220	0	43	-1.0	-52.92	360.54	-0.39	-53.31
CCN(CC(C)C)C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025565221	0	46	-1.0	-49.98	388.94	4.08	-45.90
CC1=CC=CC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025565222	0	40	-1.0	-49.06	338.88	5.62	-43.44
CC(C)N1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565223	0	33	-1.0	-47.01	308.20	1.30	-45.71
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025565224	0	27	-1.0	-50.55	273.06	0.19	-50.36
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565225	0	50	-1.0	-51.39	397.18	1.64	-49.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(NC2CC2)=N1	REAL300025565226	0	35	-1.0	-45.05	316.73	1.09	-43.96
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL300025565227	0	35	-1.0	-48.72	306.64	0.77	-47.95
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565228	0	49	-1.0	-43.65	380.44	0.94	-42.71
CC1=CC=CC=C1C1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565229	0	38	-1.0	-55.03	326.60	3.80	-51.23
O=C(CC1=CC(Br)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025565230	0	30	-1.0	-45.72	303.46	3.27	-42.45
CNC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565231	0	36	-1.0	-60.40	314.27	-0.92	-61.32
CC(C)[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025565232	0	44	-1.0	-61.40	361.83	5.58	-55.82
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300025565233	0	31	-1.0	-42.85	305.61	1.17	-41.68
CC1=CSC(CNC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025565234	0	41	-1.0	-49.71	366.28	1.85	-47.86
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCC2)=N1	REAL300025565235	0	40	-1.0	-50.36	330.99	2.46	-47.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300025565236	0	38	-1.0	-44.67	350.69	1.37	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300025565237	0	47	-1.0	-50.82	397.01	5.07	-45.75
CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025565238	0	46	-1.0	-47.17	398.08	-0.13	-47.30
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565239	0	48	-1.0	-47.40	377.17	3.15	-44.25
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565240	0	47	-1.0	-56.82	391.12	-0.66	-57.48
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CN=C21	REAL300025565241	0	47	-1.0	-48.85	385.81	3.80	-45.05
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025565242	0	48	-1.0	-47.13	388.00	4.33	-42.80
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025565243	0	48	-1.0	-45.00	377.43	2.89	-42.11
CC(C)(C)OC(=O)NC1CCCN2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025565244	0	51	-1.0	-55.23	413.33	0.68	-54.55
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565245	0	48	-1.0	-52.06	379.37	3.08	-48.98
CCOC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565246	0	36	-1.0	-52.27	321.09	1.21	-51.06
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565247	0	44	-1.0	-44.28	370.30	-0.62	-44.90
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565248	0	55	-1.0	-51.37	416.03	3.00	-48.37
CC1CCC(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565249	0	44	-1.0	-43.83	348.51	3.76	-40.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL300025565250	0	45	-1.0	-44.92	353.37	3.76	-41.16
CC(SC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565251	0	34	-1.0	-45.81	316.62	3.46	-42.35
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025565252	0	40	-1.0	-46.23	341.53	5.24	-40.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL300025565253	0	33	-1.0	-52.24	305.67	0.16	-52.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL300025565254	0	33	-1.0	-50.94	301.39	2.02	-48.92
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025565255	0	32	-1.0	-52.01	308.60	3.27	-48.74
O=CC1=CC=C(C2=CC=C(O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025565256	0	37	-1.0	-56.83	335.81	2.24	-54.59
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025565256	1	36	-2.0	-111.13	332.24	3.24	-107.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1Br	REAL300025565257	0	26	-1.0	-47.16	269.95	0.77	-46.39
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)N2C=C(Br)C=CC2=N1	REAL300025565258	0	30	-1.0	-46.69	300.81	2.59	-44.10
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300025565259	0	29	-1.0	-42.17	292.20	1.33	-40.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C(Br)=C1	REAL300025565260	0	31	-1.0	-48.48	299.73	0.72	-47.76
CC1=C(Br)C=CC(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565261	0	30	-1.0	-45.38	290.87	2.50	-42.88
CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)N1	REAL300025565262	0	35	-1.0	-59.10	299.30	-3.59	-62.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL300025565263	0	32	-1.0	-46.05	296.19	2.43	-43.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL300025565264	0	36	-1.0	-56.20	311.60	-1.23	-57.43
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565265	0	35	-1.0	-55.90	311.59	1.96	-53.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NS1	REAL300025565266	0	33	-1.0	-43.23	329.44	3.38	-39.85
COC1=CC=CC(CC(C)CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565267	0	43	-1.0	-49.13	352.98	3.50	-45.63
O=C(CC1CCCC(C(F)(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025565268	0	37	-1.0	-50.37	321.23	2.28	-48.09
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300025565269	0	43	-1.0	-48.46	351.34	0.84	-47.62
CC(C)(C1=NN=C(C(=O)NCCC2=NC(=O)O[N-]2)O1)S(C)(=O)=O	REAL300025565270	0	37	-1.0	-56.86	335.83	-6.79	-63.65
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300025565271	0	43	-1.0	-49.15	354.82	3.51	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL300025565272	0	31	-1.0	-54.87	286.49	-5.80	-60.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(=O)O1	REAL300025565273	0	32	-1.0	-43.81	314.89	3.47	-40.34
CC1=C(C)C2=NC(C3=CN(C)N=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025565274	0	48	-1.0	-50.74	399.75	4.69	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=N1	REAL300025565275	0	25	-1.0	-45.15	257.50	-0.38	-45.53
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565276	0	49	0.0	-71.84	397.56	4.71	-67.13
COC(=O)C1=CC=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565277	0	36	-1.0	-61.72	325.04	2.34	-59.38
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1=O	REAL300025565278	0	37	-1.0	-47.37	319.52	1.39	-45.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1CC1=CC=CC=C1	REAL300025565279	0	47	-1.0	-50.10	399.41	7.46	-42.64
O=CC1=CNC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025565280	0	33	-1.0	-52.20	298.39	1.34	-50.86
COC(=O)C1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565281	0	33	-1.0	-47.88	304.48	2.27	-45.61
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565282	0	31	-2.0	-84.40	318.21	-0.25	-84.65
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565282	1	32	-1.0	-45.76	321.78	-1.00	-46.76
O=CC1=CC=CN1C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565283	0	40	-1.0	-50.16	353.99	4.66	-45.50
C=CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025565284	0	48	-1.0	-50.60	387.04	2.44	-48.16
O=C(NCCC1=NC(=O)O[N-]1)C1CC2(C1)CS(=O)(=O)C2	REAL300025565285	0	34	-1.0	-52.12	302.32	-1.75	-53.87
NS(=O)(=O)C1=C(Cl)OC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565286	0	29	-1.0	-46.66	300.16	-4.96	-51.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C(F)(F)CO)N=N1	REAL300025565287	0	30	-1.0	-45.66	287.91	-4.46	-50.12
COC1=NSC(OC)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565288	0	31	-1.0	-48.75	296.42	-3.26	-52.01
CN1N=C(C(F)(F)F)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025565289	0	35	-1.0	-46.65	327.30	1.60	-45.05
O=C(NCCC1=NC(=O)O[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL300025565290	0	40	-1.0	-46.34	341.48	5.00	-41.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)C(F)(F)F	REAL300025565291	0	32	-1.0	-61.19	306.27	2.06	-59.13
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOC2=CC=CC=C21	REAL300025565292	0	38	-1.0	-45.47	306.85	2.45	-43.02
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL300025565293	0	38	-1.0	-44.28	317.38	2.41	-41.87
CC1=C(C)C2=C(CCC(C)(C(=O)NCCC3=NC(=O)O[N-]3)O2)C(C)=C1O	REAL300025565294	0	48	-1.0	-44.75	377.60	1.84	-42.91
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565295	0	40	-1.0	-54.41	362.19	2.74	-51.67
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025565296	0	38	-1.0	-46.59	363.02	6.03	-40.56
NC1=CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1C(F)(F)F	REAL300025565297	0	42	-1.0	-54.50	383.18	2.05	-52.45
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(CS(C)(=O)=O)=N1	REAL300025565298	0	38	-1.0	-59.53	357.80	-1.78	-61.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025565299	0	27	-2.0	-95.72	281.32	2.13	-93.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2NC1=O	REAL300025565300	0	36	-1.0	-47.22	316.50	1.03	-46.19
O=C(CC1=CC=CC2=NSN=C21)NCCC1=NC(=O)O[N-]1	REAL300025565301	0	31	-1.0	-51.51	292.20	0.54	-50.97
COC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)C(=O)C2	REAL300025565302	0	40	-1.0	-47.32	317.50	0.57	-46.75
CC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025565303	0	27	-1.0	-43.58	271.31	-0.33	-43.91
CC1=NS(=O)(=O)N(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565304	0	33	-1.0	-53.64	296.41	-2.80	-56.44
COC1=CC=C2NC=CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565305	0	35	-1.0	-54.24	307.46	0.74	-53.50
CN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C=O	REAL300025565306	0	37	-1.0	-51.85	319.56	1.17	-50.68
CN1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2S1(=O)=O	REAL300025565307	0	36	-1.0	-61.76	322.54	-3.27	-65.03
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(O)C1	REAL300025565308	0	48	-1.0	-50.07	389.34	-2.39	-52.46
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=NC=C2)CC2(CCC2)C1	REAL300025565309	0	43	-1.0	-46.90	353.06	3.82	-43.08
CCOC(=O)NC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565310	0	38	-1.0	-52.23	336.93	0.77	-51.46
CN1C=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)C=N1	REAL300025565311	0	41	-1.0	-51.35	341.41	0.85	-50.50
CCOC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025565312	0	38	-1.0	-53.19	344.76	1.20	-51.99
COC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025565313	0	35	-1.0	-53.59	322.90	0.27	-53.32
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025565314	0	34	-1.0	-48.98	313.32	1.05	-47.93
O=C(CC1CC(=O)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565315	0	38	-1.0	-49.37	321.70	1.19	-48.18
COC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025565316	0	35	-1.0	-52.97	316.12	-0.10	-53.07
COC(=O)C1CCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565317	0	40	-1.0	-52.87	340.82	1.80	-51.07
CC1=C(Br)OC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565318	0	27	-1.0	-41.53	270.03	0.92	-40.61
COC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025565319	0	38	-1.0	-47.43	326.25	0.45	-46.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL300025565320	0	41	-1.0	-51.21	354.72	2.91	-48.30
CC1=C(Br)C=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565321	0	30	-1.0	-41.84	283.62	2.80	-39.04
CNC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565322	0	36	-1.0	-55.06	314.42	-0.96	-56.02
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565323	0	38	-1.0	-49.77	344.89	1.21	-48.56
O=C(CC1C(=O)NC2=C(Br)C=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565324	0	35	-1.0	-54.76	326.12	2.50	-52.26
CC1=NN(CC(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565325	0	33	-1.0	-49.85	300.94	1.03	-48.82
CC(C)CN1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565326	0	39	-1.0	-54.82	325.47	2.76	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=C2C=CC=CN12	REAL300025565327	0	30	-1.0	-46.85	292.35	2.55	-44.30
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C2C=C1	REAL300025565328	0	42	-1.0	-46.54	370.98	5.30	-41.24
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)NCCC1=NC(=O)O[N-]1	REAL300025565329	0	38	-1.0	-54.63	343.52	0.52	-54.11
CCC(C)(C)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565330	0	42	-1.0	-44.38	320.68	4.18	-40.20
CC(C)(C)CC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565331	0	42	-1.0	-44.39	326.99	4.41	-39.98
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300025565332	0	37	-1.0	-50.05	319.91	1.92	-48.13
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC2(CC1)OCCO2	REAL300025565333	0	42	-1.0	-48.16	327.03	1.04	-47.12
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N1	REAL300025565334	0	39	-1.0	-53.08	335.57	0.85	-52.23
CCC1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025565335	0	43	-1.0	-50.85	347.83	2.44	-48.41
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565336	0	36	-1.0	-56.43	328.07	-2.86	-59.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)NC1=O	REAL300025565337	0	27	-1.0	-47.27	266.80	-0.76	-48.03
O=CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)S1	REAL300025565338	0	36	-1.0	-49.06	334.07	4.01	-45.05
CC1=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C(Br)C=C1	REAL300025565339	0	34	-1.0	-46.70	319.24	2.71	-43.99
CC(C)(C)C1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025565340	0	43	-1.0	-45.36	352.98	3.79	-41.57
CC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1Br	REAL300025565341	0	34	-1.0	-47.33	316.11	2.64	-44.69
O=C(CC1=CNC2=CN=C(Cl)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025565342	0	33	-1.0	-52.90	311.42	0.94	-51.96
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=C(F)C=C1	REAL300025565343	0	33	-1.0	-44.85	301.93	2.63	-42.22
CC(C)(C)OC(=O)NCCCSCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565344	0	50	-1.0	-48.77	422.13	1.93	-46.84
CSCC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565345	0	50	-1.0	-51.67	412.35	2.03	-49.64
CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565346	0	59	-1.0	-50.86	455.83	5.42	-45.44
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565347	0	50	-1.0	-47.25	394.73	1.60	-45.65
C[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025565348	0	50	-1.0	-49.58	386.29	2.90	-46.68
CC1=C(C)N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025565349	0	36	-1.0	-51.14	309.80	2.42	-48.72
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025565350	0	48	-1.0	-51.09	387.41	4.39	-46.70
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565351	0	50	-1.0	-53.75	398.18	2.88	-50.87
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565352	0	50	-1.0	-51.52	388.74	2.71	-48.81
CC(C)(C)OC(=O)NCC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025565353	0	59	-1.0	-51.20	438.56	3.41	-47.79
CC(C)(C)C1=CC=C(CSCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565354	0	46	-1.0	-48.71	388.56	5.91	-42.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL300025565355	0	36	-1.0	-47.34	315.13	3.27	-44.07
CC(NC(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025565356	0	54	-1.0	-46.48	407.29	1.18	-45.30
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025565357	0	56	-1.0	-43.80	416.54	2.72	-41.08
CC(C)(C)OC(=O)N1CCC2CCCCC2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565358	0	57	-1.0	-55.23	427.56	5.20	-50.03
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL300025565359	0	30	-1.0	-48.08	285.16	2.38	-45.70
CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025565360	0	48	-1.0	-55.34	377.08	2.82	-52.52
COC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1C1=CC=CC=C1	REAL300025565361	0	40	-1.0	-44.58	337.69	4.18	-40.40
CC1=CC(I)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565362	0	30	-1.0	-43.46	292.49	3.29	-40.17
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565363	0	33	-1.0	-46.13	307.17	3.21	-42.92
CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)CC1=O	REAL300025565364	0	48	-1.0	-53.35	383.60	1.01	-52.34
COC1=CC=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NN2C)C=C1OC	REAL300025565365	0	45	-1.0	-51.10	380.57	1.74	-49.36
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565366	0	46	0.0	-72.22	368.20	4.92	-67.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565366	1	46	0.0	-71.22	369.26	5.03	-66.19
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2C1	REAL300025565367	0	50	-1.0	-47.43	406.65	3.00	-44.43
CC(C)(C)OC(=O)NCCN1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565368	0	54	-1.0	-51.67	431.28	0.88	-50.79
CCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565369	0	61	-1.0	-53.14	475.34	5.29	-47.85
CC1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2CCN1C(=O)OC(C)(C)C	REAL300025565370	0	52	-1.0	-48.24	411.77	4.22	-44.02
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025565371	0	48	-1.0	-58.81	390.05	4.36	-54.45
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025565372	0	51	-1.0	-51.52	411.75	4.99	-46.53
COCCCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025565373	0	44	-1.0	-49.32	364.37	2.39	-46.93
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565374	0	50	-1.0	-44.29	401.33	1.88	-42.41
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565375	0	49	-1.0	-46.66	382.50	1.22	-45.44
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565376	0	44	-1.0	-43.40	365.98	0.23	-43.17
CN1N=CC(NC(=O)OC(C)(C)C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565377	0	50	-1.0	-48.49	411.00	0.80	-47.69
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025565378	0	37	-1.0	-44.82	326.96	3.27	-41.55
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C2C=C1	REAL300025565379	0	42	-1.0	-47.50	363.15	4.36	-43.14
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565380	0	52	-1.0	-44.06	401.53	2.53	-41.53
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025565381	0	52	-1.0	-52.21	399.73	2.07	-50.14
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025565382	0	53	-1.0	-53.35	418.57	3.39	-49.96
CCOC1=CC2=C(C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1)OC(C)C2	REAL300025565383	0	46	-1.0	-50.02	385.04	3.60	-46.42
CC(C)(C)C1=NC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565384	0	39	-1.0	-46.65	344.31	2.50	-44.15
O=C(C=CC1=CC=C(C2=CC=C(F)C=C2)S1)NCCC1=NC(=O)O[N-]1	REAL300025565385	0	38	-1.0	-46.62	352.48	5.58	-41.04
CS(=O)(=O)NC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565386	0	39	-1.0	-52.87	351.19	-0.56	-53.43
CCC(C)OC1=CC=CC=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565387	0	44	-1.0	-50.09	366.73	4.45	-45.64
O=C(C=CC1=NC2=CC(Cl)=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565388	0	36	-1.0	-47.56	338.31	3.87	-43.69
O=C(C=CC1=CC=CC(OC2CCCC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025565389	0	45	-1.0	-46.88	371.91	4.92	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1CC1=CC=CC=C1	REAL300025565390	0	38	-1.0	-52.90	324.80	3.82	-49.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2N=CC(Br)=C2C=C1	REAL300025565391	0	30	-1.0	-46.61	292.12	1.96	-44.65
CCC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565392	0	33	-1.0	-42.99	298.56	3.53	-39.46
COC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565393	0	31	-1.0	-45.06	294.07	1.46	-43.60
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565394	0	47	0.0	-75.07	385.99	4.43	-70.64
O=C(CC1=NN(CC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565395	0	33	-1.0	-55.70	309.36	1.35	-54.35
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC(Cl)=CC=C2Cl)=N1	REAL300025565396	0	36	-1.0	-45.04	354.32	3.87	-41.17
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(Br)=CC=CN2N=C1	REAL300025565397	0	30	-1.0	-51.37	288.50	1.78	-49.59
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC(Br)=CN=C21	REAL300025565398	0	33	-1.0	-45.38	311.40	2.85	-42.53
NC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025565399	0	31	-1.0	-46.58	300.60	0.97	-45.61
CC(C)CN1[N-]C(CC(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL300025565400	0	39	-2.0	-100.44	336.41	0.49	-99.95
CC(C)CN1NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL300025565400	1	40	-1.0	-58.14	342.91	0.95	-57.19
CN1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL300025565401	0	30	-1.0	-47.97	284.92	0.96	-47.01
CC(C)C1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565402	0	34	-1.0	-41.84	315.40	1.40	-40.44
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025565403	0	35	-1.0	-48.81	315.24	3.45	-45.36
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025565404	0	35	-1.0	-51.59	325.75	3.95	-47.64
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Br	REAL300025565405	0	32	-1.0	-42.08	304.42	1.89	-40.19
O=C(CN1N=C(C(F)F)C=C1C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025565406	0	33	-1.0	-51.29	317.05	1.15	-50.14
CC(C)(C)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N	REAL300025565407	0	41	-1.0	-44.23	319.82	2.47	-41.76
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@@H](NC2=CC=CC=N2)CC1	REAL300025565408	0	44	-1.0	-51.58	352.04	3.02	-48.56
CN(CCCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=NC=C1	REAL300025565409	0	42	-1.0	-55.70	356.78	1.44	-54.26
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565410	0	40	-1.0	-47.32	332.26	5.43	-41.89
O=C(CC1CCC(C(F)(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025565411	0	34	-1.0	-51.42	303.50	1.33	-50.09
COC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025565412	0	39	-1.0	-46.63	330.23	1.89	-44.74
CC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565413	0	29	-1.0	-46.06	278.42	1.05	-45.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL300025565414	0	31	-1.0	-50.08	287.00	1.20	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(Cl)=C1Cl	REAL300025565415	0	33	-1.0	-45.51	325.19	2.30	-43.21
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025565416	0	42	-1.0	-58.67	371.62	3.13	-55.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(C(F)(F)F)C=C1F	REAL300025565417	0	30	-1.0	-44.27	303.23	3.11	-41.16
CC1=CC2=CC=C(C)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025565418	0	39	-1.0	-47.96	332.38	4.72	-43.24
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025565419	0	34	-1.0	-49.72	308.52	3.27	-46.45
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565420	0	42	-1.0	-52.24	357.92	3.42	-48.82
CC1=NN(C)C=C1C1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565421	0	38	-1.0	-60.47	334.43	1.43	-59.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL300025565422	0	33	-1.0	-50.29	300.25	1.55	-48.74
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL300025565423	0	40	-1.0	-53.01	349.20	2.77	-50.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL300025565424	0	34	-1.0	-47.79	310.91	1.02	-46.77
CN1C(=O)CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025565425	0	38	-1.0	-51.94	319.98	2.43	-49.51
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025565426	0	29	-1.0	-43.68	277.96	0.82	-42.86
CC1=CC=C2CC(C)(C(=O)NCCC3=NC(=O)O[N-]3)OC(=O)C2=C1	REAL300025565427	0	40	-1.0	-47.18	339.96	3.80	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1C1CC1	REAL300025565428	0	33	-1.0	-42.82	306.63	2.70	-40.12
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300025565429	0	31	-1.0	-41.08	301.88	1.28	-39.80
CC12CC3CC(Br)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025565430	0	44	-1.0	-44.62	348.77	4.52	-40.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL300025565431	0	37	-1.0	-47.28	305.45	0.87	-46.41
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300025565432	0	44	-1.0	-51.69	353.46	-0.94	-52.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CS2)=C1	REAL300025565433	0	35	-1.0	-50.41	318.51	1.97	-48.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL300025565434	0	30	-1.0	-47.89	284.87	-0.49	-48.38
CCSC1=CNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565435	0	34	-1.0	-52.53	307.02	0.59	-51.94
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL300025565436	0	33	-1.0	-55.54	303.61	1.33	-54.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(C(F)F)=NC2=CC=C1	REAL300025565436	1	33	-1.0	-49.87	301.93	1.40	-48.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL300025565437	0	36	-1.0	-46.76	318.87	2.89	-43.87
O=C(CC1=CC=CC(C(F)(F)F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025565438	0	32	-1.0	-55.58	301.10	1.61	-53.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1Br	REAL300025565439	0	26	-1.0	-44.07	276.06	0.89	-43.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL300025565440	0	38	-1.0	-45.45	346.09	4.60	-40.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC=C1Br	REAL300025565441	0	27	-1.0	-48.00	264.74	-0.91	-48.91
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=NN1	REAL300025565442	0	27	-1.0	-46.44	270.29	-1.05	-47.49
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565443	0	35	-1.0	-57.30	315.25	-1.86	-59.16
CC1=CC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025565444	0	32	-1.0	-41.86	308.17	1.54	-40.32
CC(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025565445	0	46	-1.0	-50.80	364.51	2.91	-47.89
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL300025565446	0	35	-1.0	-55.83	313.47	1.59	-54.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O	REAL300025565447	0	36	-1.0	-47.37	331.38	1.89	-45.48
CCCOC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C	REAL300025565448	0	43	-1.0	-46.84	360.85	4.92	-41.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025565449	0	43	0.0	-71.75	348.59	3.54	-68.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL300025565449	1	42	-1.0	-44.12	346.23	1.31	-42.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1	REAL300025565450	0	40	-1.0	-55.15	368.45	4.18	-50.97
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565451	0	35	-1.0	-55.93	315.26	-1.88	-57.81
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565452	0	42	-1.0	-47.26	347.34	3.97	-43.29
O=C(CC1C(=O)NC2=CC=C(Br)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025565453	0	35	-1.0	-52.72	326.48	2.52	-50.20
COC1=CC(OC)=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565454	0	38	-1.0	-50.70	326.93	0.83	-49.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL300025565455	0	36	-1.0	-46.73	317.36	3.46	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(F)C=C2N1	REAL300025565456	0	31	-1.0	-44.40	304.46	2.14	-42.26
O=C(CCCCCCCCC1CC1)NCCC1=NC(=O)O[N-]1	REAL300025565457	0	48	-1.0	-45.55	390.02	6.25	-39.30
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025565458	0	33	-2.0	-87.61	305.89	1.10	-86.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300025565459	0	27	-2.0	-103.38	270.94	1.65	-101.73
CN1N=CC2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)N2	REAL300025565460	0	33	-1.0	-47.91	295.37	-1.46	-49.37
COC1=C2C=CSC2=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565461	0	34	-1.0	-49.94	306.93	2.22	-47.72
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025565462	0	42	-1.0	-46.26	337.98	2.52	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300025565463	0	34	-1.0	-53.54	307.68	-0.57	-54.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL300025565464	0	30	-1.0	-43.12	299.13	3.45	-39.67
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL300025565465	0	33	-1.0	-46.90	299.95	2.53	-44.37
CC(CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025565466	0	39	-1.0	-47.30	346.40	4.78	-42.52
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565467	0	37	-1.0	-50.94	341.14	3.61	-47.33
COC1=CC=CC(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025565468	0	38	-1.0	-50.31	334.22	1.99	-48.32
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL300025565469	0	34	-1.0	-47.88	312.60	2.52	-45.36
CC1=C(Br)SC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565470	0	26	-1.0	-45.12	272.09	-0.14	-45.26
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025565471	0	47	-1.0	-45.50	398.19	2.00	-43.50
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025565472	0	35	-1.0	-46.12	323.35	1.29	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300025565473	0	36	-1.0	-45.26	314.86	3.24	-42.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCCO2)N=N1	REAL300025565474	0	37	-1.0	-47.72	322.79	-1.04	-48.76
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300025565475	0	31	-1.0	-50.32	304.81	2.80	-47.52
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025565476	0	54	-1.0	-54.31	416.94	0.75	-53.56
CCC(=O)NC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565477	0	36	-1.0	-55.68	315.03	-0.53	-56.21
CCC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565478	0	49	-1.0	-52.65	389.12	1.55	-51.10
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025565479	0	56	-1.0	-52.30	425.03	3.54	-48.76
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565480	0	47	-1.0	-46.86	374.74	2.39	-44.47
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025565481	0	59	-1.0	-52.89	451.95	4.01	-48.88
CCC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565482	0	49	-1.0	-52.68	389.12	1.55	-51.13
CC(C)(C)OC(=O)NC1CC2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC21	REAL300025565483	0	51	-1.0	-53.15	399.28	2.69	-50.46
NC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025565484	0	29	-1.0	-48.33	277.14	0.08	-48.25
CCC(C)C(C)NC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025565485	0	46	-1.0	-51.14	380.08	2.68	-48.46
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025565486	0	37	-1.0	-50.65	328.56	-0.02	-50.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C(C)NC(=O)OC(C)(C)C)S1	REAL300025565487	0	49	-1.0	-46.49	415.13	0.69	-45.80
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565488	0	50	-1.0	-49.09	383.30	3.45	-45.64
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]2C[C@H]21	REAL300025565489	0	48	-1.0	-47.15	387.47	1.62	-45.53
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025565490	0	54	-1.0	-51.19	404.69	2.71	-48.48
CN(C(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025565491	0	50	-1.0	-51.60	385.11	3.34	-48.26
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025565492	0	47	-1.0	-44.30	390.57	3.07	-41.23
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565493	0	48	-1.0	-52.02	381.77	2.91	-49.11
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(C1)CCCCC2	REAL300025565494	0	57	-1.0	-52.37	431.20	4.03	-48.34
CCOC(=O)C1CC12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025565495	0	40	-1.0	-49.72	342.02	3.44	-46.28
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(NC(=O)OC(C)(C)C)=N1	REAL300025565496	0	44	-1.0	-54.71	369.21	0.91	-53.80
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025565497	0	54	-1.0	-50.90	415.01	2.85	-48.05
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025565498	0	48	-1.0	-50.62	375.38	3.47	-47.15
COC(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025565499	0	37	-1.0	-47.99	331.02	1.30	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N1C(=O)OCC1=CC=CC=C1	REAL300025565500	0	44	-1.0	-62.41	380.45	4.70	-57.71
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300025565501	0	29	-1.0	-42.34	289.38	0.95	-41.39
CC#CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565502	0	45	-1.0	-45.85	370.30	1.08	-44.77
CC(C)(C)OC(=O)N1CC(CCCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565503	0	50	-1.0	-52.36	406.35	3.17	-49.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(CNC(=O)OC(C)(C)C)N1C	REAL300025565504	0	51	-1.0	-48.99	415.25	1.86	-47.13
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025565505	0	45	-1.0	-49.70	359.93	2.79	-46.91
CC(C)(C)OC(=O)NCCCC(NC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565506	0	52	-1.0	-62.68	421.57	-2.71	-65.39
CCOC1(OCC)CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565507	0	44	-1.0	-45.14	354.92	2.01	-43.13
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(Cl)=C1Cl	REAL300025565508	0	28	-1.0	-44.13	298.25	2.00	-42.13
COCC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025565509	0	46	-1.0	-46.06	374.61	1.72	-44.34
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565510	0	46	-1.0	-52.71	380.39	2.62	-50.09
CC(C)(C)OC(=O)N1CCCC2(C(=O)NCCC3=NC(=O)O[N-]3)CC2C1	REAL300025565511	0	51	-1.0	-47.66	397.48	3.92	-43.74
CC(C)(C)OC(=O)NC1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565512	0	54	-1.0	-48.31	422.73	2.94	-45.37
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565513	0	55	-1.0	-44.96	437.95	5.02	-39.94
O=C(CC(C(F)F)N1C=CC=N1)NCCC1=NC(=O)O[N-]1	REAL300025565514	0	33	-1.0	-44.81	294.01	0.77	-44.04
NC1=NC2=C(N=CN2CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025565515	0	34	-1.0	-63.75	310.28	0.41	-63.34
CC(C)[C@H](NC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565516	0	41	-1.0	-44.79	335.66	2.63	-42.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(NCC2=CC=CC=C2)=CC=N1	REAL300025565517	0	41	-1.0	-46.41	357.15	2.44	-43.97
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565518	0	47	-1.0	-44.39	379.83	1.09	-43.30
CC(C)(C)OC(=O)NC(CC1=NC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565519	0	46	-1.0	-46.37	385.02	-0.17	-46.54
CCCC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565520	0	52	-1.0	-52.63	410.61	2.33	-50.30
COC(=O)CC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565521	0	52	-1.0	-52.43	423.08	1.58	-50.85
CC(C)C1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565522	0	36	-1.0	-43.93	318.26	3.84	-40.09
CCC(C)(COCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565523	0	46	-1.0	-44.79	375.65	4.18	-40.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025565524	0	33	-1.0	-46.87	333.27	3.53	-43.34
CC1CN2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C(=O)N1	REAL300025565525	0	35	-1.0	-53.53	307.73	-2.37	-55.90
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565526	0	44	-1.0	-46.68	383.78	1.14	-45.54
CCCC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565527	0	52	-1.0	-52.59	410.62	2.33	-50.26
CC(C)(C)OC(=O)N1CCC(C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565528	0	51	-1.0	-46.26	407.80	3.30	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C(CCC1=CC=CC=C1)C1=CC=CC=C1	REAL300025565529	0	46	-1.0	-46.91	387.05	7.19	-39.72
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025565530	0	45	0.0	-68.58	357.38	3.12	-65.46
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025565530	1	45	0.0	-63.42	356.15	3.26	-60.16
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC(C1)S2(=O)=O	REAL300025565531	0	40	-1.0	-53.59	302.24	-0.69	-54.28
COC1=C(F)C=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565532	0	31	-1.0	-45.57	305.94	1.44	-44.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL300025565533	0	32	-1.0	-50.77	299.24	-0.82	-51.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=C2CCCCN12	REAL300025565534	0	34	-1.0	-43.60	308.90	2.10	-41.50
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300025565535	0	33	-1.0	-43.26	312.66	1.91	-41.35
O=C(CC(C(F)F)N1C=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025565536	0	33	-1.0	-45.72	294.77	2.22	-43.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL300025565537	0	40	-1.0	-50.07	343.76	-0.56	-50.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=NO1	REAL300025565538	0	33	-1.0	-45.66	316.36	2.44	-43.22
O=C(NCCC1=NC(=O)O[N-]1)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300025565539	0	34	-1.0	-46.16	332.54	1.95	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC2=C1OCC2	REAL300025565540	0	36	-1.0	-45.54	307.42	0.41	-45.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL300025565541	0	32	-1.0	-52.49	288.00	2.40	-50.09
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL300025565542	0	30	-1.0	-50.96	288.21	0.68	-50.28
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300025565543	0	38	-1.0	-48.07	335.09	3.15	-44.92
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565544	0	43	-1.0	-58.31	374.70	2.45	-55.86
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=C1	REAL300025565545	0	30	-1.0	-49.14	295.60	1.80	-47.34
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Cl)C=C1Cl	REAL300025565546	0	26	-1.0	-42.74	269.82	0.84	-41.90
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL300025565547	0	35	-1.0	-43.85	314.53	2.60	-41.25
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025565548	0	34	-1.0	-46.74	323.67	2.88	-43.86
O=C(CN1C=C(I)N=N1)NCCC1=NC(=O)O[N-]1	REAL300025565549	0	26	-1.0	-56.74	270.28	-0.74	-57.48
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1F	REAL300025565550	0	34	-1.0	-49.50	322.66	4.22	-45.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300025565551	0	33	-1.0	-44.44	326.82	2.97	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300025565552	0	30	-1.0	-46.78	306.07	3.41	-43.37
CN1C=C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C=N1	REAL300025565553	0	35	-1.0	-55.37	316.04	0.72	-54.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C(Br)=C1	REAL300025565554	0	34	-1.0	-53.46	327.97	2.77	-50.69
COC1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025565555	0	33	-1.0	-42.82	304.70	-0.99	-43.81
COC1=CC=CC=C1C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565556	0	37	-1.0	-48.66	337.35	2.18	-46.48
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300025565557	0	34	-1.0	-46.13	295.58	2.90	-43.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL300025565558	0	33	-1.0	-60.95	300.94	-5.00	-65.95
CC1=NC2=C(CCCC2CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025565559	0	39	-1.0	-52.99	321.97	1.04	-51.95
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025565560	0	38	-1.0	-50.30	331.37	0.04	-50.26
CCCCCC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565561	0	45	-1.0	-46.71	375.31	5.99	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL300025565562	0	35	-1.0	-44.06	310.44	2.22	-41.84
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565563	0	42	-1.0	-53.05	353.11	3.79	-49.26
CC(C)(C)OCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565564	0	39	-1.0	-45.27	342.23	0.55	-44.72
CC1=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL300025565565	0	36	-1.0	-45.45	323.15	2.77	-42.68
COC1=CC(F)=CC(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025565566	0	38	-1.0	-47.06	340.57	2.06	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025565567	0	49	-1.0	-50.32	397.44	7.47	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC=C1I	REAL300025565568	0	31	-1.0	-46.11	294.24	0.39	-45.72
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025565569	0	33	-1.0	-51.19	289.10	3.08	-48.11
CN(C)C1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025565570	0	38	-1.0	-46.60	336.72	2.43	-44.17
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL300025565571	0	40	-1.0	-47.98	324.06	3.16	-44.82
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL300025565572	0	34	-1.0	-49.93	307.77	3.66	-46.27
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025565573	0	50	-1.0	-52.97	392.78	1.02	-51.95
CCC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL300025565574	0	35	-1.0	-70.75	306.14	1.29	-69.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL300025565575	0	39	-1.0	-70.81	337.02	2.89	-67.92
NS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)O1	REAL300025565576	0	29	-1.0	-50.26	298.28	-4.89	-55.15
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2CCCCC2=N1	REAL300025565577	0	39	-1.0	-45.01	317.32	2.83	-42.18
CC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565578	0	46	-1.0	-52.73	367.62	0.80	-51.93
CC1CN2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2CN1C(=O)OC(C)(C)C	REAL300025565579	0	51	-1.0	-47.33	408.30	2.08	-45.25
CC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565580	0	46	-1.0	-52.76	367.62	0.80	-51.96
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300025565581	0	41	-1.0	-48.59	350.30	3.33	-45.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL300025565582	0	34	-1.0	-46.66	314.44	2.74	-43.92
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025565583	0	32	-1.0	-51.85	313.70	-2.88	-54.73
CC(C)(C)OC(=O)N1CC(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025565584	0	48	-1.0	-48.95	399.64	0.85	-48.10
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL300025565585	0	31	-1.0	-54.94	286.44	-5.80	-60.74
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(CCNC(=O)OC(C)(C)C)S1	REAL300025565586	0	49	-1.0	-49.73	417.54	0.59	-49.14
CCN(CC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1)C(=O)OC(C)(C)C	REAL300025565587	0	59	-1.0	-52.78	445.20	5.47	-47.31
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025565588	0	45	-1.0	-56.90	371.33	2.72	-54.18
CC(C)(C)OC(=O)NC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL300025565589	0	47	-1.0	-51.72	396.05	1.61	-50.11
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025565590	0	41	-1.0	-47.68	345.96	1.07	-46.61
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL300025565591	0	41	-1.0	-50.60	335.74	1.39	-49.21
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025565592	0	45	-1.0	-47.53	379.66	0.11	-47.42
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025565593	0	38	-1.0	-47.92	324.85	0.15	-47.77
CC1=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL300025565594	0	41	-1.0	-46.92	340.56	0.54	-46.38
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565595	0	47	-1.0	-49.90	374.79	2.03	-47.87
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565596	0	41	-1.0	-47.68	329.96	1.01	-46.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCCC3)OC2=C1	REAL300025565597	0	45	-1.0	-47.49	370.76	2.48	-45.01
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=C(F)C=C1	REAL300025565598	0	37	-1.0	-47.69	328.33	2.60	-45.09
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL300025565599	0	41	-1.0	-49.58	354.93	3.03	-46.55
O=C(NCCC1=NC(=O)O[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL300025565600	0	36	-1.0	-44.74	316.62	0.99	-43.75
COC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025565601	0	37	-1.0	-45.43	330.08	0.54	-44.89
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1Cl	REAL300025565602	0	41	-1.0	-45.29	361.48	4.11	-41.18
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(C)C)O1	REAL300025565603	0	42	-1.0	-44.73	350.62	3.97	-40.76
COC1=CC=C(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025565604	0	40	-1.0	-45.01	353.11	2.06	-42.95
O=C(CN1N=NN=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025565605	0	35	-1.0	-54.45	311.56	1.10	-53.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300025565606	0	34	-1.0	-50.24	308.53	0.99	-49.25
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025565607	0	38	-1.0	-50.42	341.64	3.36	-47.06
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)N1	REAL300025565608	0	34	-1.0	-44.33	315.62	0.22	-44.11
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025565608	1	33	-2.0	-82.90	312.19	-0.21	-83.11
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300025565609	0	36	-1.0	-48.13	316.10	4.16	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL300025565610	0	30	-1.0	-48.21	282.46	2.49	-45.72
CS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565611	0	39	-1.0	-52.66	350.01	0.55	-52.11
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565612	0	42	-1.0	-50.85	339.37	3.25	-47.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL300025565613	0	35	-1.0	-51.79	303.55	1.33	-50.46
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Br	REAL300025565614	0	37	-1.0	-49.48	344.10	3.95	-45.53
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1S(N)(=O)=O	REAL300025565615	0	32	-1.0	-52.37	292.66	-4.54	-56.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL300025565616	0	30	-1.0	-51.85	282.67	2.50	-49.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=C1	REAL300025565617	0	40	-1.0	-46.05	339.44	4.52	-41.53
CC(C)(C)CC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565618	0	38	-1.0	-45.28	328.10	1.98	-43.30
COC(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565619	0	36	-1.0	-46.12	314.11	2.88	-43.24
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565620	0	44	-1.0	-45.97	363.36	1.51	-44.46
CCOC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025565621	0	34	-1.0	-49.45	324.49	2.21	-47.24
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025565622	0	32	-2.0	-76.93	301.77	1.34	-75.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL300025565622	1	33	-1.0	-51.54	304.99	1.78	-49.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1F	REAL300025565623	0	27	-1.0	-46.07	274.85	2.27	-43.80
O=C(C=CC1=CC=C(Br)O1)NCCC1=NC(=O)O[N-]1	REAL300025565624	0	28	-1.0	-44.38	282.15	1.65	-42.73
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Br)=C1	REAL300025565625	0	30	-1.0	-41.34	298.83	2.93	-38.41
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N(C)C1=O	REAL300025565626	0	39	-1.0	-48.02	333.28	2.77	-45.25
O=C(CC=CC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565627	0	34	-1.0	-47.19	320.26	4.16	-43.03
CSC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565628	0	37	-1.0	-45.89	329.54	4.05	-41.84
CP(C)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565629	0	36	-1.0	-52.56	323.32	1.11	-51.45
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025565630	0	32	-1.0	-52.46	300.04	-2.84	-55.30
O=CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)S1	REAL300025565631	0	26	-1.0	-48.05	271.20	0.90	-47.15
CC(C)(C)OC(=O)NCC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025565632	0	48	-1.0	-48.02	389.37	-0.93	-48.95
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025565633	0	34	-1.0	-44.13	319.15	2.71	-41.42
CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565634	0	52	-1.0	-48.63	403.74	1.35	-47.28
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC[C@H]12	REAL300025565635	0	54	-1.0	-49.81	407.52	3.58	-46.23
CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565636	0	50	-1.0	-42.40	401.25	3.20	-39.20
CC(C)C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565637	0	52	-1.0	-52.73	410.26	2.14	-50.59
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565638	0	47	-1.0	-46.05	392.03	-0.37	-46.42
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL300025565639	0	36	-1.0	-49.62	311.80	0.76	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300025565640	0	35	-1.0	-46.83	316.67	4.85	-41.98
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL300025565641	0	34	-1.0	-49.71	317.38	2.81	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025565642	0	39	-1.0	-49.40	372.95	4.05	-45.35
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N(CC2=CC=CC=C2)N=C1	REAL300025565643	0	37	-1.0	-46.54	345.47	3.54	-43.00
CC(C)(C)OC(=O)NCC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025565644	0	46	-1.0	-53.48	399.86	-0.13	-53.61
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565645	0	48	-1.0	-47.40	384.68	1.59	-45.81
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025565646	0	33	-1.0	-45.83	311.64	3.87	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCCC2	REAL300025565647	0	40	-1.0	-46.45	315.64	4.36	-42.09
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC2=C(Br)C=CC=C21	REAL300025565648	0	32	-1.0	-42.82	300.07	2.59	-40.23
CC(C)(C)OC(=O)CN1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025565649	0	49	-1.0	-48.82	394.09	3.52	-45.30
CCOC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=C1	REAL300025565650	0	40	-1.0	-52.50	343.18	3.84	-48.66
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)C1=CC=CC=C1	REAL300025565651	0	39	-1.0	-47.40	321.36	3.84	-43.56
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565652	0	44	-1.0	-46.60	365.00	-1.64	-48.24
O=C(CCC1=CC=C2OCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025565653	0	41	-1.0	-46.77	343.03	3.66	-43.11
CC1=NN(C2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565654	0	37	-1.0	-44.44	321.76	3.68	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300025565655	0	37	-1.0	-56.30	328.49	2.56	-53.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1	REAL300025565656	0	40	-1.0	-52.27	364.14	3.60	-48.67
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565657	0	37	-1.0	-44.92	329.52	2.91	-42.01
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025565658	0	47	-1.0	-50.28	385.82	2.06	-48.22
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025565659	0	43	-1.0	-46.20	378.91	-0.81	-47.01
CC(C)C[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565660	0	52	-1.0	-51.50	402.55	1.96	-49.54
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(CNC(=O)OC(C)(C)C)S1	REAL300025565661	0	46	-1.0	-46.12	396.03	-0.17	-46.29
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025565662	0	48	-1.0	-52.34	390.86	1.62	-50.72
CC(C)(C)OC(=O)N1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025565663	0	48	-1.0	-50.90	377.70	3.23	-47.67
O=C(CC1=C(Br)SC=C1)NCCC1=NC(=O)O[N-]1	REAL300025565664	0	27	-1.0	-46.43	277.86	1.84	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1(O)CCCCCC1	REAL300025565665	0	40	-1.0	-39.40	311.70	0.07	-39.33
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565666	0	44	-1.0	-46.67	361.57	4.74	-41.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL300025565667	0	36	-1.0	-50.06	311.75	3.24	-46.82
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CC(C2=CC=CC=C2)C1	REAL300025565668	0	38	-1.0	-45.99	319.63	0.96	-45.03
O=C(CCC1=C2C=CC=CC2=NN1)NCCC1=NC(=O)O[N-]1	REAL300025565669	0	36	-1.0	-47.87	316.22	1.62	-46.25
O=C(CCC1=NNC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565669	1	36	-1.0	-47.57	316.42	1.62	-45.95
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C([N+](=O)[O-])=NN1	REAL300025565670	0	26	-1.0	-45.41	268.47	0.15	-45.26
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300025565671	0	53	-1.0	-45.88	403.11	4.26	-41.62
O=C(CN1CSC(=S)N(CC2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025565672	0	44	-1.0	-58.98	384.17	3.16	-55.82
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(C)C)N1	REAL300025565673	0	43	-1.0	-46.72	352.17	3.15	-43.57
CCCOC1=CC=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025565674	0	44	-1.0	-53.12	372.74	3.29	-49.83
N#CC1=C2CCCCN2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565675	0	36	-1.0	-48.09	309.81	3.21	-44.88
CS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025565676	0	35	-1.0	-57.27	332.89	-1.34	-58.61
COC(=O)C1=C2CCCCN2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565677	0	41	-1.0	-48.41	342.73	3.39	-45.02
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL300025565678	0	33	-1.0	-46.19	310.56	2.06	-44.13
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025565679	0	52	-1.0	-52.21	399.73	2.08	-50.13
COC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=CC1=O	REAL300025565680	0	37	-1.0	-63.85	320.16	1.67	-62.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O	REAL300025565681	0	33	-1.0	-47.07	321.88	1.93	-45.14
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL300025565682	0	40	-1.0	-45.93	333.55	5.04	-40.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL300025565683	0	32	-1.0	-47.23	305.58	0.57	-46.66
O=C(CN1N=CC=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025565684	0	37	-1.0	-51.84	320.68	2.66	-49.18
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL300025565685	0	41	-1.0	-50.64	323.18	3.99	-46.65
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL300025565686	0	33	-1.0	-46.68	304.75	-0.01	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(Br)N1	REAL300025565687	0	25	-1.0	-42.93	273.18	0.42	-42.51
CC(O)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025565688	0	34	-1.0	-43.21	317.88	0.41	-42.80
CC1=CC=C(OCCC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025565689	0	37	-1.0	-45.31	335.23	3.07	-42.24
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300025565690	0	33	-1.0	-47.91	306.45	-0.72	-48.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL300025565691	0	31	-1.0	-46.79	293.74	1.41	-45.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1	REAL300025565692	0	38	-1.0	-44.49	343.19	5.32	-39.17
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL300025565693	0	29	-1.0	-39.13	280.96	1.57	-37.56
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(CCO)C=NC2=N1	REAL300025565694	0	35	-1.0	-52.95	318.58	-0.25	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL300025565695	0	32	-1.0	-50.15	308.72	1.21	-48.94
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=NS1	REAL300025565696	0	23	-1.0	-42.97	249.12	-0.21	-43.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=NC=CN2C(C(F)(F)F)=N1	REAL300025565697	0	32	-1.0	-44.49	306.45	1.11	-43.38
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565698	0	51	-1.0	-52.92	397.72	1.14	-51.78
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300025565699	0	36	-1.0	-54.73	347.93	3.26	-51.47
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565700	0	48	-1.0	-52.77	384.02	0.09	-52.68
CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565701	0	45	-1.0	-52.59	370.07	-0.38	-52.97
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565702	0	49	-1.0	-48.99	408.02	0.94	-48.05
CC(C)[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565703	0	49	-1.0	-52.41	384.14	1.29	-51.12
COC(=O)C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565704	0	49	-1.0	-49.73	400.93	1.08	-48.65
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565705	0	47	-1.0	-45.23	378.17	2.41	-42.82
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565706	0	50	-1.0	-49.54	383.64	3.44	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NCCC(C(F)(F)F)N2N=C1	REAL300025565707	0	36	-1.0	-48.97	319.37	0.24	-48.73
CC(C)NC1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565708	0	36	-1.0	-42.60	331.19	2.37	-40.23
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)NCCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025565709	0	51	-1.0	-50.26	393.02	3.11	-47.15
CC1CC(C)C(C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025565710	0	53	-1.0	-54.22	407.57	4.08	-50.14
CC(C)[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565711	0	49	-1.0	-52.42	384.10	1.28	-51.14
CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565712	0	47	-1.0	-56.42	394.07	-2.98	-59.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C=C1Cl	REAL300025565713	0	26	-1.0	-43.72	267.89	0.69	-43.03
CN(C)C1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565714	0	33	-1.0	-43.48	309.04	2.65	-40.83
CC1=CN=C2C(=C1)C=NN2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565715	0	35	-1.0	-54.61	312.94	1.64	-52.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300025565716	0	37	-1.0	-51.18	348.78	3.80	-47.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL300025565717	0	39	-1.0	-55.38	357.26	3.91	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL300025565718	0	38	-1.0	-59.59	352.59	6.91	-52.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL300025565719	0	41	-1.0	-48.46	343.47	1.42	-47.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=C1	REAL300025565720	0	34	-1.0	-48.49	320.02	3.55	-44.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC2=C1CCCCCC2	REAL300025565721	0	40	-1.0	-46.08	319.22	3.97	-42.11
CC1(C)CCC2=C(C1)SC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565722	0	40	-1.0	-46.17	329.93	4.02	-42.15
C#CC1=CC=CC(NC(=O)CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565723	0	36	-1.0	-63.67	326.59	3.09	-60.58
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C(O)C1=CC=CC=C1	REAL300025565724	0	34	-1.0	-43.23	305.72	0.53	-42.70
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)COC1	REAL300025565725	0	45	-1.0	-52.38	362.16	-0.49	-52.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(N2C=CC=C2)=C1	REAL300025565726	0	35	-1.0	-44.76	325.45	4.93	-39.83
CC(C)(C)OC(=O)C12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)C2	REAL300025565727	0	43	-1.0	-47.14	356.40	3.81	-43.33
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1Cl	REAL300025565728	0	30	-1.0	-46.57	297.00	0.70	-45.87
O=C(CN1CCCC(C(F)(F)F)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025565729	0	37	-1.0	-52.30	324.39	1.47	-50.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(Cl)=C1Cl	REAL300025565730	0	39	-1.0	-48.97	363.48	5.22	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL300025565731	0	35	-1.0	-58.99	302.88	0.00	-58.99
CC(C)(C)OCCOCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565732	0	43	-1.0	-45.96	353.23	0.65	-45.31
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=C1	REAL300025565733	0	30	-1.0	-45.06	295.89	1.80	-43.26
CC(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025565734	0	43	-1.0	-44.77	355.02	4.91	-39.86
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(Br)=C1	REAL300025565735	0	34	-1.0	-43.90	319.14	2.72	-41.18
COC(=O)C1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CN1	REAL300025565736	0	37	-1.0	-50.86	330.99	1.44	-49.42
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC(NC2=CN=CC=N2)C1	REAL300025565737	0	43	-1.0	-49.19	351.33	0.84	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL300025565738	0	37	-1.0	-50.69	325.05	4.09	-46.60
CC1=CC(Br)=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565739	0	32	-1.0	-49.72	304.35	1.81	-47.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL300025565740	0	35	-1.0	-51.98	303.09	0.71	-51.27
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565741	0	37	-1.0	-48.57	328.78	3.36	-45.21
CC1=CC=CN2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CN=C12	REAL300025565742	0	36	-1.0	-54.96	315.86	3.19	-51.77
CC(C)(C)OC(=O)NCC(CC1CCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565743	0	56	-1.0	-52.05	424.88	3.26	-48.79
CC(C)(C)OC(=O)NCCCCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565744	0	50	-1.0	-53.30	421.96	1.91	-51.39
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300025565745	0	41	-1.0	-43.74	348.60	4.80	-38.94
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CO)C2=CC=CC=C2O1	REAL300025565746	0	34	-1.0	-46.87	303.72	-0.72	-47.59
CS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565747	0	36	-1.0	-57.63	328.63	-0.26	-57.89
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=CO1	REAL300025565748	0	37	-1.0	-47.73	331.68	3.96	-43.77
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300025565749	0	36	-1.0	-41.84	328.28	2.86	-38.98
CC1=C(CC(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025565750	0	40	-1.0	-44.52	351.47	3.71	-40.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300025565751	0	38	-1.0	-50.68	345.54	3.68	-47.00
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCCC2)=NO1	REAL300025565752	0	42	-1.0	-43.78	350.34	3.59	-40.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCC2)=NO1	REAL300025565753	0	39	-1.0	-43.82	331.94	2.94	-40.88
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565754	0	40	-1.0	-48.16	350.81	5.00	-43.16
CN1C=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCO2)C=N1	REAL300025565755	0	38	-1.0	-47.34	321.51	0.08	-47.26
O=C(CC1=CC=C2OC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025565756	0	33	-1.0	-52.17	299.72	-0.28	-52.45
CC(C)(C)CN1C(=O)NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025565757	0	46	-1.0	-55.04	371.38	2.98	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C2COCCN2C(C2=CC=CC=C2)=N1	REAL300025565758	0	42	-1.0	-48.79	353.27	2.56	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1	REAL300025565759	0	44	-1.0	-47.42	365.90	6.73	-40.69
C=CCCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565760	0	40	-1.0	-46.30	342.00	5.10	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300025565761	0	37	-1.0	-44.16	338.02	3.32	-40.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300025565762	0	44	-1.0	-56.88	359.42	3.50	-53.38
CCCCCCCSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565763	0	49	-1.0	-45.68	412.31	7.31	-38.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL300025565764	0	37	-1.0	-50.51	305.83	3.08	-47.43
O=C(CN1CCCC2(CC2)S1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025565765	0	39	-1.0	-50.30	334.53	-0.71	-51.01
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025565766	0	43	0.0	-66.21	348.51	4.40	-61.81
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025565766	1	43	0.0	-66.26	348.16	4.41	-61.85
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565767	0	51	-1.0	-49.35	397.80	0.30	-49.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2(O)COC2)C=C1	REAL300025565768	0	36	-1.0	-48.37	308.49	-1.34	-49.71
CC(C)(C)OC(=O)N1CCCC1C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565769	0	52	-1.0	-51.16	421.84	3.46	-47.70
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025565770	0	27	-1.0	-45.28	279.98	0.20	-45.08
CC(C)(C)OC(=O)NC1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)CC1	REAL300025565771	0	57	-1.0	-48.77	439.96	3.23	-45.54
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565772	0	53	-1.0	-46.54	415.24	3.46	-43.08
O=C(CC(C(F)F)N1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025565773	0	39	-1.0	-47.43	317.54	-1.62	-49.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC=CN=C2)=N1	REAL300025565774	0	36	-1.0	-46.87	318.09	0.81	-46.06
CC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=N1	REAL300025565775	0	35	-1.0	-46.21	318.43	2.25	-43.96
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN=C1C(F)(F)F	REAL300025565776	0	31	-1.0	-44.94	284.63	-0.77	-45.71
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565777	0	47	-1.0	-54.23	377.19	2.47	-51.76
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025565778	0	54	-1.0	-53.58	415.98	4.47	-49.11
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025565779	0	38	-1.0	-46.23	325.43	3.27	-42.96
CC1=CC=CC=C1CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025565780	0	49	-1.0	-47.05	402.39	7.65	-39.40
COC1(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025565781	0	40	-1.0	-41.78	317.41	2.66	-39.12
CN(C)S(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565782	0	43	-1.0	-49.69	358.57	-1.39	-51.08
O=C(CCC1=CN=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025565783	0	32	-1.0	-45.18	305.50	1.84	-43.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL300025565784	0	31	-1.0	-45.52	288.94	1.18	-44.34
CCCCCCCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565785	0	51	-1.0	-45.88	415.18	7.66	-38.22
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300025565786	0	40	-1.0	-50.81	323.22	3.08	-47.73
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565787	0	38	-1.0	-46.90	327.47	2.49	-44.41
CC1(C)OC(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025565788	0	37	-1.0	-56.55	323.56	3.23	-53.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL300025565789	0	33	-1.0	-46.28	309.76	2.63	-43.65
CCCCNC(=O)CSC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565790	0	46	-1.0	-55.16	404.94	1.63	-53.53
NC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565791	0	33	-1.0	-53.24	305.13	-1.87	-55.11
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565792	0	44	-1.0	-53.69	363.99	-2.87	-56.56
CC(C)(C)OC(=O)N1CCC2(CCCC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565793	0	57	-1.0	-51.57	425.18	4.48	-47.09
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565794	0	50	-1.0	-50.22	391.63	1.74	-48.48
CC1CCCC1(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565795	0	51	-1.0	-52.73	412.21	3.78	-48.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)N=C1C1CC1	REAL300025565796	0	42	-1.0	-46.65	368.15	5.88	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCCO1	REAL300025565797	0	41	-1.0	-43.83	329.45	3.30	-40.53
CN1N=C(C2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565798	0	41	-1.0	-44.27	338.16	0.63	-43.64
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565799	0	37	-1.0	-51.47	327.61	3.53	-47.94
COC(=O)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025565800	0	35	-1.0	-46.94	303.75	0.96	-45.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025565801	0	37	-1.0	-51.40	331.60	3.29	-48.11
CN(C)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025565802	0	36	-1.0	-47.63	312.01	0.66	-46.97
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C2C1=O	REAL300025565803	0	35	-1.0	-45.42	308.46	2.50	-42.92
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565804	0	36	-1.0	-53.19	327.06	-0.42	-53.61
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025565805	0	34	-1.0	-52.11	302.59	1.84	-50.27
CN1C=C(Br)C(CC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565806	0	30	-1.0	-50.57	291.67	0.48	-50.09
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC=C21	REAL300025565807	0	36	-1.0	-44.75	318.08	4.31	-40.44
O=C(CN1C=CC2=CC(Br)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025565808	0	34	-1.0	-50.56	322.46	4.30	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=N1	REAL300025565809	0	29	-1.0	-54.62	290.73	1.65	-52.97
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025565810	0	38	-1.0	-47.31	324.78	2.56	-44.75
CC1=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025565811	0	34	-1.0	-44.45	319.51	2.73	-41.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(Cl)=N1	REAL300025565812	0	32	-1.0	-42.75	322.56	3.06	-39.69
NC1=C(Cl)N=CN=C1NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565813	0	32	-1.0	-44.38	299.31	-1.69	-46.07
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NN=C1C(F)(F)F	REAL300025565814	0	30	-1.0	-42.95	280.32	-0.46	-43.41
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565815	0	41	-1.0	-48.16	344.86	-3.04	-51.20
CC(C)(C)OC(=O)N1CC(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CO2)C1	REAL300025565816	0	47	-1.0	-48.03	399.48	-0.74	-48.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1N1C=CC=N1	REAL300025565817	0	33	-1.0	-52.31	295.06	1.56	-50.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CNC=N2)=N1	REAL300025565818	0	30	-1.0	-53.10	291.85	-0.11	-53.21
O=C(CC1=NC(C(F)(F)F)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025565819	0	29	-1.0	-49.76	293.66	0.37	-49.39
CC1=CC=CC=C1C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025565820	0	43	-1.0	-47.51	356.38	5.97	-41.54
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025565821	0	36	-1.0	-46.53	314.09	2.88	-43.65
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025565822	0	33	-1.0	-49.06	310.54	2.71	-46.35
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1(C)C	REAL300025565823	0	53	-1.0	-50.90	400.56	2.67	-48.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1OCC(F)(F)F	REAL300025565824	0	33	-1.0	-49.98	324.28	2.06	-47.92
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565825	0	49	-1.0	-57.02	387.97	2.43	-54.59
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025565826	0	48	-1.0	-43.28	375.76	-0.63	-43.91
CC(C)(C)OC(=O)N1CC2(CC2(F)F)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565827	0	48	-1.0	-51.95	401.84	3.34	-48.61
CC[C@H](C)[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565828	0	52	-1.0	-52.79	405.68	2.38	-50.41
CC(C)(C)OC(=O)N1CC2(C1)COC(CC(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025565829	0	52	-1.0	-55.97	418.40	1.77	-54.20
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565830	0	53	-1.0	-54.76	406.59	3.66	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL300025565831	0	36	-1.0	-44.33	315.88	3.10	-41.23
O=C(CC(N1CCOCC1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025565832	0	39	-1.0	-45.02	321.33	-1.17	-46.19
CN1CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025565833	0	37	-1.0	-49.49	317.62	0.69	-48.80
CC(C)(C)OC(=O)NCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565834	0	50	-1.0	-51.86	412.70	2.75	-49.11
CC1=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025565835	0	30	-1.0	-45.97	299.85	2.43	-43.54
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565836	0	49	-1.0	-60.29	401.81	1.41	-58.88
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025565837	0	48	-1.0	-47.91	402.21	3.88	-44.03
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565838	0	46	-1.0	-50.75	381.73	0.91	-49.84
CC(F)(F)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025565839	0	37	-1.0	-41.22	297.12	0.52	-40.70
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1N	REAL300025565840	0	35	-1.0	-44.26	312.05	-0.31	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCCO1	REAL300025565841	0	42	-1.0	-47.14	331.54	1.56	-45.58
CC1=CC=CC(C(C(=O)NCCC2=NC(=O)O[N-]2)C2CCCCC2)=C1	REAL300025565842	0	49	-1.0	-46.23	386.76	6.36	-39.87
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=N1	REAL300025565843	0	37	-1.0	-54.54	328.44	2.92	-51.62
CS(=O)(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025565844	0	30	-1.0	-52.41	290.11	-0.96	-53.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CSC=C2)=NO1	REAL300025565845	0	33	-1.0	-44.85	314.01	2.23	-42.62
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NCCC1=NC(=O)O[N-]1	REAL300025565846	0	35	-1.0	-50.13	322.38	3.17	-46.96
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025565847	0	53	-1.0	-51.82	411.49	2.64	-49.18
CC(C)(C)OC(=O)N1CCC2=C(C=CO2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565848	0	48	-1.0	-55.65	387.09	3.29	-52.36
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565849	0	45	-1.0	-44.34	364.23	-1.33	-45.67
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025565850	0	36	-1.0	-44.74	320.16	3.94	-40.80
CC1=CC=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=C1	REAL300025565851	0	35	-1.0	-47.33	312.89	3.73	-43.60
O=C(CC1=CC=C(C2CCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025565852	0	40	-1.0	-46.95	333.69	4.81	-42.14
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL300025565853	0	33	-1.0	-45.84	314.02	2.92	-42.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL300025565854	0	35	-1.0	-44.37	315.07	2.90	-41.47
CC(C)(C)OC(=O)N1C=CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565855	0	45	-1.0	-48.47	362.64	2.97	-45.50
CC(C)(C)OC(=O)N1CCOC2C(C(=O)NCCC3=NC(=O)O[N-]3)C21	REAL300025565856	0	46	-1.0	-47.04	369.81	1.66	-45.38
COC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565857	0	47	-1.0	-51.13	386.24	-0.57	-51.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL300025565858	0	34	-1.0	-53.22	297.61	-1.39	-54.61
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL300025565859	0	40	-1.0	-50.92	331.77	3.39	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1	REAL300025565860	0	43	-1.0	-47.48	362.85	2.84	-44.64
CC(C)(C)OC(=O)N1CCCC2C(C(=O)NCCC3=NC(=O)O[N-]3)C21	REAL300025565861	0	48	-1.0	-51.35	372.87	3.91	-47.44
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025565862	0	44	-1.0	-43.79	357.80	0.54	-43.25
COC(=O)C[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025565863	0	49	-1.0	-49.72	400.78	1.20	-48.52
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025565864	0	49	-1.0	-51.05	398.10	0.79	-50.26
CC1=NSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1NC(=O)OC(C)(C)C	REAL300025565865	0	43	-1.0	-44.84	369.38	0.33	-44.51
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565866	0	50	-1.0	-50.29	391.38	2.52	-47.77
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565867	0	46	-1.0	-47.20	391.54	-1.85	-49.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=N1	REAL300025565868	0	29	-1.0	-48.76	290.68	1.71	-47.05
COC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565869	0	51	-1.0	-46.26	421.56	1.73	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=CC=C2)=N1	REAL300025565870	0	37	-1.0	-46.82	342.36	1.86	-44.96
O=C(C#CC12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025565871	0	43	-1.0	-44.12	339.20	4.81	-39.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C(F)=C2N1	REAL300025565872	0	31	-1.0	-43.55	304.02	2.12	-41.43
CC1=C(Cl)C=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025565873	0	34	-1.0	-44.01	312.39	2.56	-41.45
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N(C)C2=C1	REAL300025565874	0	38	-1.0	-47.31	324.34	2.38	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL300025565875	0	31	-1.0	-58.21	301.49	2.42	-55.79
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025565876	0	59	-1.0	-52.15	436.72	3.76	-48.39
CC(C)(C)OC(=O)NC1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025565877	0	51	-1.0	-48.35	412.99	0.74	-47.61
NC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025565878	0	38	-1.0	-50.87	332.44	-1.05	-51.92
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025565879	0	30	-1.0	-43.98	284.67	0.09	-43.89
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565880	0	53	-1.0	-44.85	397.08	3.25	-41.60
O=C(COCCC1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025565881	0	34	-1.0	-48.36	331.17	3.09	-45.27
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565882	0	44	-1.0	-45.36	379.78	5.95	-39.41
CC1=CC=C(C)C(C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025565883	0	45	-1.0	-46.60	357.59	5.49	-41.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)ON=C1C1=CC=CC=C1	REAL300025565884	0	46	-1.0	-44.82	388.43	6.15	-38.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOC2)S1	REAL300025565885	0	34	-1.0	-46.23	307.65	-0.42	-46.65
CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C1	REAL300025565886	0	52	-1.0	-48.79	410.16	0.53	-48.26
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NCCC1=NC(=O)O[N-]1	REAL300025565887	0	37	-1.0	-53.43	336.55	2.43	-51.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300025565888	0	34	-1.0	-46.45	317.72	4.08	-42.37
CN1C=CC(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)=N1	REAL300025565889	0	33	-1.0	-47.70	306.90	0.35	-47.35
CC1=CC(Br)=CC(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565890	0	36	-1.0	-46.87	323.31	3.85	-43.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=CC=C(Br)C2=N1	REAL300025565891	0	30	-1.0	-49.47	295.09	2.57	-46.90
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300025565892	0	41	-1.0	-46.97	333.04	4.97	-42.00
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565893	0	46	-1.0	-48.18	386.24	0.19	-47.99
CCN1N=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565894	0	30	-1.0	-43.54	291.98	0.65	-42.89
CCN1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025565895	0	30	-1.0	-48.07	289.48	0.81	-47.26
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300025565896	0	34	-1.0	-48.17	317.13	2.98	-45.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300025565897	0	41	-1.0	-50.59	344.30	1.94	-48.65
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025565898	0	40	-1.0	-51.78	352.17	3.87	-47.91
CC1=C(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N=N1	REAL300025565899	0	37	-1.0	-47.85	314.78	1.88	-45.97
CC1OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1C	REAL300025565900	0	38	-1.0	-46.69	316.71	2.64	-44.05
CN1C=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025565901	0	33	-1.0	-46.79	302.04	1.07	-45.72
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025565902	0	50	-1.0	-50.27	415.17	0.08	-50.19
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565903	0	43	-1.0	-45.56	356.44	0.03	-45.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CNC(=O)OC(C)(C)C)=N1	REAL300025565904	0	46	-1.0	-45.39	395.92	-0.19	-45.58
COC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025565905	0	38	-1.0	-51.46	329.27	1.56	-49.90
O=C(CCC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025565906	0	33	-1.0	-44.71	323.29	4.01	-40.70
CC(C)(C)OC(=O)NCC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025565907	0	51	-1.0	-49.37	396.38	0.73	-48.64
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565908	0	53	-1.0	-54.87	406.70	3.65	-51.22
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC(C)(C)C1	REAL300025565909	0	53	-1.0	-49.75	405.97	2.95	-46.80
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565910	0	50	-1.0	-44.44	380.19	1.85	-42.59
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025565911	0	42	-1.0	-44.74	364.91	4.58	-40.16
CC1=CC=CC=C1C(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025565912	0	46	-1.0	-45.96	360.13	6.30	-39.66
NS(=O)(=O)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565913	0	32	-1.0	-50.17	318.75	-2.89	-53.06
O=C(CCC1=C2CCCCC2=NN1)NCCC1=NC(=O)O[N-]1	REAL300025565914	0	40	-1.0	-46.40	331.96	1.76	-44.64
O=C(CCC1=NNC2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL300025565914	1	40	-1.0	-48.05	332.00	1.75	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300025565915	0	32	-1.0	-48.48	304.14	2.58	-45.90
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565916	0	34	-1.0	-44.94	303.86	2.09	-42.85
O=C(C=C1CCCC(C(F)(F)F)C1)NCCC1=NC(=O)O[N-]1	REAL300025565917	0	37	-1.0	-44.27	316.00	3.27	-41.00
O=C(C=C1C2CC3CC(C2)CC1C3)NCCC1=NC(=O)O[N-]1	REAL300025565918	0	42	-1.0	-45.41	319.72	4.09	-41.32
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300025565919	0	36	-1.0	-46.31	326.04	4.22	-42.09
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565920	0	36	-1.0	-47.66	318.89	4.00	-43.66
CCCCCCCCCC=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565921	0	48	-1.0	-45.29	393.07	6.07	-39.22
CC(C)(C)OC(=O)N1C2C(CCC1C(=O)NCCC1=NC(=O)O[N-]1)C2(F)F	REAL300025565922	0	48	-1.0	-47.74	379.96	4.23	-43.51
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)CO2	REAL300025565923	0	49	-1.0	-47.46	400.22	-0.55	-48.01
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565924	0	48	-1.0	-47.40	389.16	-0.50	-47.90
CC1=CC(Br)=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565925	0	29	-1.0	-41.56	277.90	1.10	-40.46
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025565926	0	36	-1.0	-45.34	322.58	3.76	-41.58
COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025565927	0	33	-1.0	-45.58	308.04	-0.65	-46.23
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565928	0	53	-1.0	-52.54	403.42	2.11	-50.43
CC(C)(C)OC(=O)N1CCCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565929	0	53	-1.0	-46.90	413.14	4.22	-42.68
CC(C)(C)OC(=O)NCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL300025565930	0	53	-1.0	-51.37	414.74	2.44	-48.93
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H](C(F)F)C1	REAL300025565931	0	47	-1.0	-48.53	386.34	2.33	-46.20
CC(C)(C)OC(=O)NC1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025565932	0	48	-1.0	-49.74	383.71	0.84	-48.90
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565933	0	48	-1.0	-48.83	399.38	4.44	-44.39
COCCC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025565934	0	42	-1.0	-47.97	370.66	0.70	-47.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL300025565935	0	35	-1.0	-51.48	316.60	-0.14	-51.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(=O)N1	REAL300025565936	0	33	-1.0	-44.47	315.61	1.44	-43.03
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025565937	0	48	-1.0	-55.33	391.36	3.11	-52.22
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025565938	0	59	-1.0	-52.71	452.33	4.10	-48.61
CC(C)(C)OC(=O)NC(CC1CCCCO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565939	0	54	-1.0	-43.86	414.80	1.34	-42.52
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300025565940	0	32	-1.0	-49.49	302.17	1.09	-48.40
CC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1(F)F	REAL300025565941	0	37	-1.0	-47.96	321.13	4.15	-43.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCC2)NC1=O	REAL300025565942	0	36	-1.0	-48.48	308.98	0.69	-47.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300025565942	1	35	-2.0	-86.75	305.73	-0.41	-87.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL300025565943	0	27	-1.0	-42.42	289.60	2.65	-39.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL300025565944	0	36	-1.0	-48.53	314.00	2.67	-45.86
COC(=O)C1CC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025565945	0	40	-1.0	-50.26	338.28	3.02	-47.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300025565946	0	30	-1.0	-45.32	295.11	2.95	-42.37
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1	REAL300025565947	0	39	-1.0	-55.47	352.61	3.56	-51.91
CC(=O)NC1=CN=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565948	0	36	-1.0	-49.54	310.84	-0.67	-50.21
CC1CCCN2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CN=C12	REAL300025565949	0	40	-1.0	-53.59	331.15	2.76	-50.83
CC1=CC(C)=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CN21	REAL300025565950	0	36	-1.0	-60.43	313.84	3.39	-57.04
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(Cl)S1	REAL300025565951	0	32	-1.0	-42.38	305.44	1.20	-41.18
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025565952	0	39	-1.0	-49.32	340.08	0.24	-49.08
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565953	0	49	-1.0	-53.53	405.67	2.38	-51.15
CC1=CC=CN=C1CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565954	0	52	-1.0	-47.36	409.11	1.24	-46.12
CC(CCNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565955	0	46	-1.0	-47.61	372.10	0.31	-47.30
CC(C)(C)OC(=O)NC(CCC1=CC=NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565956	0	52	-1.0	-57.12	422.63	2.64	-54.48
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(CCC2)C1	REAL300025565957	0	51	-1.0	-51.76	402.46	3.29	-48.47
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025565958	0	50	-1.0	-55.24	397.46	3.14	-52.10
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025565959	0	54	-1.0	-51.50	414.35	1.10	-50.40
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025565960	0	43	-1.0	-47.37	347.47	1.60	-45.77
CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565961	0	54	-1.0	-54.11	430.03	2.01	-52.10
O=C(CON1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025565962	0	35	-1.0	-57.32	327.29	2.33	-54.99
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]1C1=NC2=CC=CNC2=N1	REAL300025565963	0	36	-1.0	-65.22	316.27	1.22	-64.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=CS1	REAL300025565964	0	23	-1.0	-41.80	253.01	-0.84	-42.64
CN(C(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025565965	0	44	-1.0	-51.52	360.89	1.94	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025565966	0	40	-1.0	-41.31	352.48	4.24	-37.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL300025565967	0	33	-1.0	-45.09	305.88	2.58	-42.51
CS(=O)(=O)C1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565968	0	36	-1.0	-54.39	312.06	-1.41	-55.80
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(C2CC2)C=C1	REAL300025565969	0	38	-1.0	-45.93	324.75	2.40	-43.53
CC1=CC=CC=C1C(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025565970	0	49	-1.0	-44.81	380.16	6.36	-38.45
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC2=CC=CC=C21	REAL300025565971	0	47	-1.0	-47.58	382.20	7.47	-40.11
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025565972	0	47	0.0	-70.23	373.02	5.46	-64.77
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025565972	1	47	0.0	-70.80	373.29	5.42	-65.38
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C(=CC2=CC=CO2)SC1=S	REAL300025565973	0	39	-1.0	-56.10	364.01	3.11	-52.99
CC1=CC=C2C(=C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)S2(=O)=O	REAL300025565974	0	37	-1.0	-53.17	330.61	0.04	-53.13
O=C(CC(NC1CC1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025565975	0	35	-1.0	-44.61	311.26	0.03	-44.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Br	REAL300025565976	0	27	-1.0	-48.02	278.52	2.71	-45.31
COC1=CC=CC=C1C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NO1	REAL300025565977	0	37	-1.0	-47.16	326.67	2.05	-45.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(C3=CC=CC=C3)C=C2)=NO1	REAL300025565978	0	46	-1.0	-46.61	397.25	6.63	-39.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(CC2=CC=CC=C2)=NO1	REAL300025565979	0	39	-1.0	-43.80	347.63	4.20	-39.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C(Br)=CC=C2N1	REAL300025565980	0	31	-1.0	-47.30	304.12	2.14	-45.16
COC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025565981	0	38	-1.0	-46.16	327.24	1.40	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300025565982	0	31	-1.0	-43.81	299.61	2.02	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2(F)COC2)C=C1	REAL300025565983	0	35	-1.0	-48.42	305.64	1.38	-47.04
CC1=C(Cl)C2=NC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025565984	0	35	-1.0	-46.98	314.09	3.10	-43.88
O=C(CN1C=CC2=CC=C(Br)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025565985	0	34	-1.0	-50.78	322.36	4.30	-46.48
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2(CCOCC2)C1	REAL300025565986	0	42	-1.0	-47.01	325.93	0.12	-46.89
CCC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C2=CC3=C(C=CS3)N21	REAL300025565987	0	42	-1.0	-57.99	377.33	4.18	-53.81
COC1=NN2C(=NN=C2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565988	0	38	-1.0	-51.14	338.80	-0.22	-51.36
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025565989	0	32	-2.0	-84.46	296.75	1.99	-82.47
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565990	0	49	-1.0	-44.07	388.51	1.32	-42.75
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565991	0	49	-1.0	-46.22	391.86	0.48	-45.74
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1C	REAL300025565992	0	37	-1.0	-49.93	320.68	3.66	-46.27
O=C([N-]CCC1=NC(=O)O[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300025565993	0	26	-2.0	-87.36	276.31	-2.33	-89.69
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300025565993	1	27	-1.0	-38.86	278.70	-0.76	-39.62
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)C2=CC=CC=C2O1	REAL300025565994	0	34	-1.0	-48.19	302.42	2.35	-45.84
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)S1	REAL300025565995	0	27	-1.0	-42.64	273.18	1.97	-40.67
COC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=C1	REAL300025565996	0	37	-1.0	-44.00	324.88	1.87	-42.13
CC(C)(C)OC(=O)NC(CC1CC=CCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565997	0	54	-1.0	-52.76	419.04	3.76	-49.00
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CCOC1	REAL300025565998	0	51	-1.0	-48.10	399.33	0.65	-47.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=NC=C2C(=O)N1	REAL300025565999	0	32	-1.0	-45.21	289.24	-0.91	-46.12
CC(C)(C)OC(=O)N1CCSC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566000	0	42	-1.0	-52.72	356.60	1.51	-51.21
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1(O)CCOCC1	REAL300025566001	0	35	-1.0	-42.04	295.80	-1.75	-43.79
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(C(F)(F)F)=NN1	REAL300025566002	0	27	-1.0	-43.65	285.38	-0.38	-44.03
O=C(CS(=O)(=O)CCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566003	0	32	-1.0	-60.47	310.54	-1.69	-62.16
CN(C)C1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025566004	0	38	-1.0	-54.58	325.42	3.31	-51.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=NC=CC=C12	REAL300025566005	0	32	-1.0	-44.90	285.23	-0.27	-45.17
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC2=CNN=C21	REAL300025566006	0	30	-1.0	-57.43	289.85	0.59	-56.84
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N2C=CC=CC2=N1	REAL300025566007	0	30	-1.0	-48.85	292.29	2.49	-46.36
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566008	0	53	-1.0	-52.91	410.76	4.43	-48.48
CC1=NC=C2C(=N1)CN(C(=O)OC(C)(C)C)C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566009	0	49	-1.0	-52.76	402.28	2.58	-50.18
CCC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025566010	0	42	-1.0	-46.17	342.16	4.84	-41.33
CC(C)=CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025566011	0	41	-1.0	-47.22	347.08	2.13	-45.09
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1NC(=O)CCC2	REAL300025566012	0	35	-1.0	-53.94	303.35	-0.80	-54.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1C=CC(C2CC2)=N1	REAL300025566013	0	41	-1.0	-56.79	351.24	5.05	-51.74
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300025566014	0	33	-1.0	-48.59	306.45	3.33	-45.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL300025566015	0	32	-1.0	-50.75	297.23	2.37	-48.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL300025566016	0	32	-1.0	-50.56	303.62	2.43	-48.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL300025566017	0	33	-1.0	-47.69	298.82	0.96	-46.73
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025566018	0	46	-1.0	-50.03	395.44	6.67	-43.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL300025566019	0	32	-1.0	-51.51	286.42	2.11	-49.40
COC1=C(Br)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566020	0	31	-1.0	-48.62	292.90	2.79	-45.83
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566021	0	46	-1.0	-53.81	386.70	3.00	-50.81
CC(C)(C)OC(=O)N1CC(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C1	REAL300025566022	0	47	-1.0	-47.84	395.39	-0.55	-48.39
NC1=C2C=CN(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025566023	0	36	-1.0	-52.18	315.93	1.57	-50.61
CC(C)(C)OC(=O)C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566024	0	39	-1.0	-46.75	336.90	0.62	-46.13
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)NN=C1Br	REAL300025566025	0	24	-1.0	-43.14	270.33	-1.12	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)[N-]N=C1Br	REAL300025566025	1	23	-2.0	-80.89	266.86	-1.27	-82.16
CCC(=O)N1CSC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566026	0	35	-1.0	-54.07	306.68	1.54	-52.53
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)C2=CC(F)=CC=C2N=C1	REAL300025566027	0	35	-1.0	-47.55	316.03	2.82	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C(Br)=CS2	REAL300025566028	0	27	-1.0	-43.25	294.02	2.66	-40.59
CC(C)OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025566029	0	37	-1.0	-50.91	324.36	2.94	-47.97
O=C(CC1=CN=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566030	0	29	-1.0	-48.13	284.10	1.04	-47.09
COC1CC(C(=O)NCCC2=NC(=O)O[N-]2)(N(C)C(=O)OC(C)(C)C)C1	REAL300025566031	0	51	-1.0	-51.86	405.95	1.98	-49.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300025566032	0	41	-1.0	-48.62	351.95	5.10	-43.52
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1(C)C	REAL300025566033	0	54	-1.0	-50.13	403.65	1.37	-48.76
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)CC[C@H](O)C1	REAL300025566034	0	48	-1.0	-49.44	381.09	-2.36	-51.80
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566035	0	53	-1.0	-53.89	403.62	4.41	-49.48
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1(C)CC1	REAL300025566036	0	47	-1.0	-43.51	381.78	1.20	-42.31
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025566037	0	46	-1.0	-48.92	366.50	0.96	-47.96
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566038	0	54	-1.0	-50.81	410.19	4.24	-46.57
CN(C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566039	0	53	-1.0	-47.71	423.71	5.67	-42.04
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566040	0	47	-1.0	-47.51	376.72	1.04	-46.47
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC(F)=C1	REAL300025566041	0	45	-1.0	-45.47	366.98	3.10	-42.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025566041	1	46	0.0	-61.20	359.11	5.02	-56.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025566041	1	46	0.0	-60.38	368.59	5.18	-55.20
CC(C)(C)OC(=O)N1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566042	0	42	-1.0	-46.51	350.82	1.45	-45.06
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566043	0	56	-1.0	-43.26	419.71	2.72	-40.54
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566044	0	53	-1.0	-55.14	427.75	4.40	-50.74
CC(C)(C)OC(=O)NC(CCC1=CC=CC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566045	0	52	-1.0	-59.28	421.94	2.61	-56.67
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566046	0	46	-1.0	-56.51	387.84	2.44	-54.07
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566047	0	45	-1.0	-47.04	362.90	2.42	-44.62
C=CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566048	0	44	-1.0	-44.29	358.88	0.32	-43.97
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566049	0	44	-1.0	-43.35	356.59	-2.18	-45.53
CC(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025566050	0	36	-1.0	-56.31	320.56	1.94	-54.37
CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566051	0	53	-1.0	-55.16	427.75	4.40	-50.76
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566052	0	48	-1.0	-50.08	388.79	1.21	-48.87
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566053	0	51	-1.0	-48.88	389.66	2.79	-46.09
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCC1	REAL300025566054	0	56	-1.0	-51.40	426.99	3.23	-48.17
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566055	0	56	-1.0	-46.25	436.08	1.25	-45.00
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1C(F)(F)F	REAL300025566056	0	30	-1.0	-44.41	302.12	0.65	-43.76
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1Br	REAL300025566057	0	30	-1.0	-51.25	286.59	2.78	-48.47
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566058	0	47	-1.0	-45.88	372.14	2.45	-43.43
CC(C)(C)OC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025566059	0	53	-1.0	-43.24	405.06	2.43	-40.81
CC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566060	0	59	-1.0	-47.93	448.84	4.31	-43.62
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566061	0	48	-1.0	-54.50	376.83	3.11	-51.39
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025566062	0	54	-1.0	-49.59	415.34	3.90	-45.69
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566063	0	50	-1.0	-55.21	391.70	3.44	-51.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL300025566064	0	32	-1.0	-48.31	289.82	-1.27	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C1(SC2=CC=C(Br)C=C2)CC1	REAL300025566065	0	35	-1.0	-44.01	336.03	4.52	-39.49
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL300025566066	0	37	-1.0	-46.78	316.18	0.63	-46.15
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025566067	0	54	-1.0	-50.08	411.41	4.62	-45.46
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025566068	0	51	-1.0	-47.34	403.29	3.61	-43.73
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566069	0	45	-1.0	-51.95	364.70	-0.81	-52.76
CC(C)(C)OC(=O)N1CCC2(CCOC2)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566070	0	55	-1.0	-51.54	412.94	2.14	-49.40
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]2CCCC[C@@H]21	REAL300025566071	0	54	-1.0	-52.87	403.78	4.33	-48.54
COC(=O)C1=CC(OC)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025566072	0	36	-1.0	-44.31	326.00	-0.25	-44.56
COC1=CC=C(C(C(=O)NCCC2=NC(=O)O[N-]2)C2CCCCC2)C=C1	REAL300025566073	0	50	-1.0	-46.72	388.76	5.67	-41.05
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025566074	0	36	-1.0	-58.24	317.02	1.23	-57.01
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300025566075	0	37	-1.0	-41.97	313.82	3.32	-38.65
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN(CC2=CC=CC=C2)N=C1	REAL300025566076	0	48	-1.0	-48.29	406.33	4.00	-44.29
CC1=NN(C2=CC=CC=C2)C(C)=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566077	0	51	-1.0	-49.75	416.40	4.73	-45.02
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1C1=CC=C(F)C=C1	REAL300025566078	0	45	-1.0	-48.39	375.69	3.39	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300025566079	0	37	-1.0	-48.84	329.88	1.92	-46.92
CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN2C(C(F)F)=C1	REAL300025566080	0	35	-1.0	-55.21	322.08	1.83	-53.38
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=CC=C1	REAL300025566081	0	51	-1.0	-54.63	384.14	4.58	-50.05
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL300025566082	0	42	-1.0	-54.05	347.04	3.26	-50.79
CCC(C)C(=O)N1CSC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566083	0	41	-1.0	-53.55	339.81	2.69	-50.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1=CNC2=CC=CC=C12	REAL300025566084	0	43	-1.0	-60.22	372.30	3.48	-56.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL300025566085	0	30	-1.0	-45.57	281.83	0.72	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300025566086	0	35	-1.0	-43.84	314.05	2.85	-40.99
CCCN1C(=O)CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CN=CN1C	REAL300025566087	0	50	-1.0	-52.65	402.76	3.83	-48.82
CC(C)(C)OC(=O)N1CC2(C1)SCCC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566088	0	49	-1.0	-50.38	402.90	2.86	-47.52
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566089	0	51	-1.0	-55.04	415.27	5.02	-50.02
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C2CCCCN21	REAL300025566090	0	43	-1.0	-48.91	340.55	3.18	-45.73
CC1=CC(C2CCC2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566091	0	39	-1.0	-44.18	320.43	2.97	-41.21
CC(C)[C@@H]1C[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025566092	0	46	-1.0	-44.87	362.69	5.58	-39.29
CC(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2S1	REAL300025566093	0	35	-1.0	-53.75	325.65	3.28	-50.47
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CSCN1C(=O)C1=CC=CC=C1	REAL300025566094	0	39	-1.0	-55.86	340.22	3.48	-52.38
COC1=CC=CC2=C1CC(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025566095	0	39	-1.0	-48.05	326.15	1.44	-46.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(Cl)=C2N1	REAL300025566096	0	31	-1.0	-44.18	314.80	2.57	-41.61
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1F	REAL300025566097	0	34	-1.0	-45.50	303.08	2.14	-43.36
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1Cl	REAL300025566098	0	34	-1.0	-44.97	311.78	2.55	-42.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300025566099	0	40	-1.0	-45.70	359.29	2.61	-43.09
CC1=CC=C(Br)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566100	0	30	-1.0	-47.24	293.40	2.58	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)CC1	REAL300025566101	0	38	-1.0	-43.39	339.02	2.24	-41.15
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)C=C1	REAL300025566102	0	41	-1.0	-44.40	354.03	2.85	-41.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL300025566103	0	36	-1.0	-44.18	332.21	3.85	-40.33
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2C(CC1)C2(F)F	REAL300025566104	0	37	-1.0	-50.93	296.33	3.00	-47.93
COCCOCCN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025566105	0	41	-1.0	-48.53	359.39	-0.55	-49.08
COCCOCCN1N=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566106	0	41	-1.0	-49.36	354.47	-0.60	-49.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300025566107	0	43	-1.0	-47.14	367.60	6.78	-40.36
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL300025566108	0	33	-1.0	-48.02	309.87	1.31	-46.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300025566109	0	33	-1.0	-46.12	307.46	3.32	-42.80
COC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566110	0	47	-1.0	-54.81	413.76	2.46	-52.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL300025566111	0	33	-1.0	-46.08	305.78	2.32	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL300025566112	0	49	-1.0	-44.95	385.93	6.57	-38.38
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C1=CC=CC=C1Cl	REAL300025566113	0	39	-1.0	-47.77	330.50	4.30	-43.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL300025566114	0	40	-1.0	-45.96	334.37	5.06	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300025566115	0	31	-1.0	-47.32	295.49	1.41	-45.91
CN(C)C1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025566116	0	37	-1.0	-50.19	322.99	0.10	-50.09
CS(=N)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566117	0	34	-1.0	-57.81	308.41	-1.79	-59.60
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300025566118	0	52	-1.0	-51.57	410.81	2.77	-48.80
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025566119	0	30	-1.0	-42.18	288.53	2.37	-39.81
CC(C)(C)OC(=O)NCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025566120	0	44	-1.0	-50.33	379.07	1.04	-49.29
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(Cl)C(Br)=C1	REAL300025566121	0	31	-1.0	-44.89	311.63	1.38	-43.51
CC1=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C	REAL300025566122	0	30	-1.0	-48.70	286.80	0.41	-48.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL300025566123	0	30	-1.0	-51.07	289.10	2.60	-48.47
CC(=O)NCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025566124	0	46	-1.0	-55.73	351.64	1.30	-54.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Br	REAL300025566125	0	24	-1.0	-46.99	272.70	1.76	-45.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1F	REAL300025566126	0	26	-1.0	-49.97	263.90	0.35	-49.62
CC1=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C	REAL300025566127	0	30	-1.0	-47.70	292.29	0.87	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=C(Br)C=CC2=NS1	REAL300025566128	0	29	-1.0	-46.29	295.39	2.08	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300025566129	0	33	-1.0	-46.29	305.14	-0.42	-46.71
O=C(CCOC1=C(F)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025566130	0	34	-1.0	-48.19	323.99	2.61	-45.58
CS(C)(=O)=NC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025566131	0	33	-1.0	-62.68	313.79	-2.16	-64.84
O=C(NCCC1=NC(=O)O[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025566132	0	42	-1.0	-49.30	368.78	2.67	-46.63
CC(C)CC(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566133	0	46	-1.0	-57.21	358.36	3.84	-53.37
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300025566134	0	36	-1.0	-55.53	307.90	-1.79	-57.32
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCO2)CCOCC1	REAL300025566135	0	42	-1.0	-45.14	323.07	0.43	-44.71
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL300025566136	0	44	-1.0	-46.92	341.29	5.33	-41.59
O=C(CC1=CC(O)=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566137	0	31	-1.0	-49.28	300.25	-0.02	-49.30
O=C(CCCCC1=CC=CC(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566138	0	40	-1.0	-47.84	343.35	1.74	-46.10
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566139	0	48	-1.0	-53.00	393.17	2.05	-50.95
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(O)C1	REAL300025566140	0	45	-1.0	-54.05	368.22	-3.03	-57.08
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C(F)=C1F	REAL300025566141	0	27	-1.0	-43.91	286.43	2.16	-41.75
CC(C)(C)OC(=O)N1CSCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566142	0	45	-1.0	-53.06	367.89	2.75	-50.31
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566143	0	45	-1.0	-56.06	373.63	1.03	-55.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2N=C(Br)N=C2C=C1	REAL300025566144	0	29	-1.0	-48.67	286.88	1.75	-46.92
COC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)COC1	REAL300025566145	0	39	-1.0	-47.60	323.70	0.86	-46.74
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1Br	REAL300025566146	0	34	-1.0	-47.11	323.86	3.32	-43.79
O=C(CN1CC(C(F)(F)F)CCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025566147	0	37	-1.0	-50.86	325.94	1.41	-49.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)S1	REAL300025566148	0	27	-1.0	-42.50	294.23	2.77	-39.73
O=C(C=CC1=CC(Cl)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025566149	0	31	-1.0	-46.20	312.84	3.77	-42.43
CN1C(=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C21	REAL300025566150	0	36	-1.0	-47.04	328.24	2.96	-44.08
CC(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025566151	0	33	-1.0	-49.01	313.22	1.56	-47.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCNC(=O)C2=C1	REAL300025566152	0	36	-1.0	-51.57	332.07	-0.57	-52.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(SC(Br)=C2)S1	REAL300025566153	0	27	-1.0	-42.24	294.45	2.75	-39.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=CC=C1OC(F)F	REAL300025566154	0	31	-1.0	-48.00	306.05	1.54	-46.46
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300025566155	0	34	-1.0	-50.11	317.28	3.96	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL300025566156	0	39	-1.0	-53.68	343.57	-0.49	-54.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300025566157	0	39	-1.0	-50.29	347.58	0.04	-50.25
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566158	0	41	-1.0	-60.36	360.25	-0.28	-60.64
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL300025566159	0	50	-1.0	-53.30	418.91	3.69	-49.61
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025566160	0	43	-1.0	-50.04	344.05	2.08	-47.96
CC1=CC(F)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566161	0	30	-1.0	-41.73	286.34	2.87	-38.86
CC1=CC(F)=CC=C1C(NCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566162	0	41	-1.0	-46.14	364.69	2.13	-44.01
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H](C2CC2)C1	REAL300025566163	0	51	-1.0	-45.91	402.86	3.55	-42.36
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[C@H]1C1CCC1	REAL300025566164	0	57	-1.0	-44.03	423.77	4.48	-39.55
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC=CCO1	REAL300025566165	0	32	-1.0	-41.15	284.75	0.79	-40.36
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCC1=NC(=O)O[N-]1)CCC2	REAL300025566166	0	51	-1.0	-51.22	388.67	4.30	-46.92
CC1=C(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL300025566167	0	50	-1.0	-48.99	405.01	0.81	-48.18
CCN1N=CC(NC(=O)OC(C)(C)C)=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566168	0	51	-1.0	-46.73	423.12	1.52	-45.21
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566169	0	51	-1.0	-50.90	403.03	2.52	-48.38
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566170	0	48	-1.0	-44.49	380.95	5.83	-38.66
O=C(NCCC1=NC(=O)O[N-]1)C1CNC(=O)CC12CCOC2	REAL300025566171	0	39	-1.0	-50.41	308.06	-1.80	-52.21
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300025566172	0	37	-1.0	-47.27	338.66	3.05	-44.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCCC2=C1	REAL300025566173	0	35	-1.0	-46.02	305.89	3.73	-42.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCCCC2=C1	REAL300025566174	0	38	-1.0	-45.43	322.93	4.33	-41.10
COC(=O)CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566175	0	39	-1.0	-49.41	341.65	3.79	-45.62
CC(C)=CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025566176	0	40	-1.0	-45.07	342.15	4.95	-40.12
O=C(CC1=C(Br)N2C=CC=CC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025566177	0	33	-1.0	-53.76	315.45	3.12	-50.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Cl)S2)N1	REAL300025566178	0	28	-1.0	-43.93	284.20	1.16	-42.77
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1Br	REAL300025566179	0	27	-1.0	-47.15	279.06	2.01	-45.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300025566180	0	34	-1.0	-45.78	310.05	1.09	-44.69
CC1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)N2CC(F)(F)F)S1	REAL300025566181	0	37	-1.0	-45.86	346.67	4.25	-41.61
COC1(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025566182	0	38	-1.0	-41.70	308.90	0.24	-41.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300025566183	0	38	-1.0	-44.52	337.24	4.60	-39.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300025566184	0	37	-1.0	-47.76	334.13	5.47	-42.29
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566185	0	51	-1.0	-48.14	407.73	5.89	-42.25
CC(C)(C)OC(=O)NCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL300025566186	0	44	-1.0	-50.78	371.45	0.09	-50.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)N1	REAL300025566187	0	28	-1.0	-43.93	288.83	1.27	-42.66
COC1=NC=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566188	0	30	-1.0	-47.99	294.05	-1.31	-49.30
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300025566189	0	41	-1.0	-46.96	335.04	4.99	-41.97
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025566190	0	33	-1.0	-43.73	303.35	3.44	-40.29
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566191	0	54	-1.0	-47.04	422.22	4.13	-42.91
CCCC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025566192	0	33	-1.0	-43.92	319.57	3.45	-40.47
CSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025566193	0	31	-1.0	-47.48	302.60	3.09	-44.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CS2	REAL300025566194	0	28	-1.0	-43.85	288.62	1.16	-42.69
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025566195	0	31	-1.0	-47.66	299.23	2.81	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC(C2=CC=CC=C2)=C1	REAL300025566196	0	37	-1.0	-51.58	322.74	2.00	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=CC(F)=CC(F)=C12	REAL300025566197	0	30	-1.0	-52.04	281.80	2.01	-50.03
CCN1C=C(OC2=CN=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=N1	REAL300025566198	0	39	-1.0	-47.88	345.55	-0.46	-48.34
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL300025566199	0	37	-1.0	-46.82	328.11	1.69	-45.13
COC1=CC=CC=C1N1C=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566200	0	38	-1.0	-48.36	335.99	3.33	-45.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL300025566201	0	39	-1.0	-45.11	328.95	0.26	-44.85
CC(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025566202	0	37	-1.0	-54.38	325.07	2.24	-52.14
O=C(NCCC1=NC(=O)O[N-]1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300025566203	0	42	-1.0	-44.35	357.63	3.29	-41.06
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]2CCC[C@@H]21	REAL300025566204	0	51	-1.0	-52.38	395.36	4.39	-47.99
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1C	REAL300025566205	0	33	-1.0	-44.18	299.72	3.26	-40.92
CC(C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025566206	0	46	-1.0	-47.14	380.08	4.92	-42.22
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025566207	0	45	-1.0	-45.92	356.86	3.40	-42.52
C[NH+](C)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566208	0	56	0.0	-66.40	425.66	3.43	-62.97
CC1=CC(=O)N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N1	REAL300025566209	0	33	-1.0	-52.48	297.23	-0.07	-52.55
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566210	0	38	-1.0	-47.08	321.08	0.59	-46.49
CS(=N)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566211	0	34	-1.0	-56.13	310.38	-1.69	-57.82
COC1=CC=C(C(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025566212	0	37	-1.0	-47.83	319.56	2.13	-45.70
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566213	0	37	-1.0	-45.64	339.44	2.29	-43.35
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300025566214	0	33	-1.0	-43.52	309.90	0.07	-43.45
O=C(COCC1=NC(C2CC2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025566215	0	36	-1.0	-56.39	325.36	-0.29	-56.68
CN1CCC2=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025566216	0	39	-1.0	-48.34	328.70	2.06	-46.28
O=C(CN1C=NC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566217	0	27	-1.0	-53.14	270.49	1.78	-51.36
CCS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566218	0	38	-1.0	-50.41	338.17	-0.86	-51.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2S1	REAL300025566219	0	30	-1.0	-46.33	302.45	3.51	-42.82
CC(C)(C)OC(=O)NC(CC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566220	0	50	-1.0	-45.40	403.32	2.45	-42.95
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025566221	0	56	-1.0	-52.31	425.04	3.54	-48.77
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566222	0	50	-1.0	-45.28	393.03	3.02	-42.26
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300025566223	0	33	-1.0	-46.07	312.19	2.27	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CCN2CCOCC2)N=N1	REAL300025566224	0	42	-1.0	-45.99	354.29	-2.80	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1F	REAL300025566225	0	29	-1.0	-50.92	283.35	0.83	-50.09
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566226	0	53	-1.0	-51.20	408.98	2.80	-48.40
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566227	0	51	-1.0	-46.31	406.02	3.70	-42.61
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CCC1C1CCC1	REAL300025566228	0	57	-1.0	-50.99	418.19	4.70	-46.29
CC(C)(C)OC(=O)N1CCCC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566229	0	50	-1.0	-48.32	398.99	3.27	-45.05
CC(C)(C)OC(=O)N1CCN2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025566230	0	49	-1.0	-55.87	395.78	3.45	-52.42
CC(=O)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025566231	0	55	-1.0	-59.63	421.59	4.42	-55.21
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C1	REAL300025566232	0	50	-1.0	-48.66	411.12	0.11	-48.55
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566233	0	45	-1.0	-45.79	372.92	2.51	-43.28
CC(C)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025566234	0	59	-1.0	-47.82	434.49	4.56	-43.26
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC(F)(F)C1	REAL300025566235	0	47	-1.0	-44.51	383.48	1.94	-42.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NO1	REAL300025566236	0	32	-1.0	-43.53	296.98	0.76	-42.77
C=CCOCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025566237	0	55	-1.0	-47.72	440.24	3.26	-44.46
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566238	0	48	-1.0	-49.12	390.40	-0.70	-49.82
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566239	0	54	-1.0	-52.85	415.20	4.04	-48.81
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCCC1=NC(=O)O[N-]1)CCCCC2	REAL300025566240	0	57	-1.0	-53.54	433.96	4.61	-48.93
CC1=NN(C)C=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566241	0	50	-1.0	-47.06	407.83	0.95	-46.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)N=C1C(F)(F)F	REAL300025566242	0	29	-1.0	-50.29	291.46	1.41	-48.88
O=C(CC(C1=CC=CC=C1)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566243	0	36	-1.0	-44.69	311.73	3.58	-41.11
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(CO)C1	REAL300025566244	0	48	-1.0	-53.18	389.26	-2.38	-55.56
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300025566245	0	32	-1.0	-43.31	302.61	3.15	-40.16
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(=O)CCCC2=N1	REAL300025566246	0	38	-1.0	-54.15	323.41	3.24	-50.91
NC1=NC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025566247	0	28	-1.0	-45.70	276.72	-1.06	-46.76
O=C(NC(CC1=CC=CN=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025566248	0	46	-1.0	-47.67	388.93	2.57	-45.10
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1CCOC1	REAL300025566249	0	37	-1.0	-47.23	316.47	-1.35	-48.58
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1	REAL300025566250	0	43	-1.0	-49.25	362.97	4.91	-44.34
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2	REAL300025566251	0	44	-1.0	-47.38	373.12	5.93	-41.45
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566252	0	50	-1.0	-51.16	411.94	0.84	-50.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(Cl)C=C2N1	REAL300025566253	0	31	-1.0	-44.35	314.77	2.58	-41.77
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025566254	0	34	-1.0	-43.98	314.58	2.62	-41.36
N#CCCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566255	0	41	-1.0	-54.07	361.64	3.76	-50.31
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025566256	0	41	-1.0	-61.67	360.71	1.35	-60.32
C[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025566257	0	50	-1.0	-45.61	386.15	2.86	-42.75
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCSC1	REAL300025566258	0	48	-1.0	-44.02	385.98	1.92	-42.10
C[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566259	0	50	-1.0	-45.25	392.98	3.01	-42.24
CC(C)(C)OC(=O)NCCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566260	0	44	-1.0	-53.01	378.96	0.35	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300025566261	0	37	-1.0	-46.31	331.95	4.37	-41.94
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300025566262	0	37	-1.0	-46.47	321.63	3.92	-42.55
O=C(CC1(N2C=NN=N2)CCSCC1)NCCC1=NC(=O)O[N-]1	REAL300025566263	0	39	-1.0	-48.85	321.94	1.71	-47.14
NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025566264	0	31	-1.0	-53.37	290.28	-1.16	-54.53
O=C(C=CC1=NC2=CC=CC=C2N=C1)NCCC1=NC(=O)O[N-]1	REAL300025566265	0	35	-1.0	-48.13	316.64	1.44	-46.69
COC1=NC2=CC=CC=C2C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566266	0	40	-1.0	-52.18	350.15	1.70	-50.48
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566267	0	46	-1.0	-52.11	393.50	3.43	-48.68
CN1C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025566268	0	37	-1.0	-53.41	323.68	1.10	-52.31
CN1N=CC=C1C1=NNC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566269	0	34	-1.0	-55.19	306.54	-0.86	-56.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NN=C2C=CC(Br)=CN21	REAL300025566270	0	29	-1.0	-44.70	287.03	2.42	-42.28
COC1=NC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025566271	0	30	-1.0	-48.64	286.29	-1.07	-49.71
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025566272	0	43	-1.0	-52.19	370.41	2.29	-49.90
CC(C)CC1=NN=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=CC=CN12	REAL300025566273	0	41	-1.0	-53.78	346.89	4.80	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL300025566274	0	29	-1.0	-46.43	292.98	0.40	-46.03
CC(C)(C)OC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C12CCC2	REAL300025566275	0	50	-1.0	-45.19	388.86	4.12	-41.07
O=C(CC1CSC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025566276	0	39	-1.0	-54.11	336.62	3.47	-50.64
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL300025566277	0	30	-1.0	-48.74	284.82	2.00	-46.74
CCC1=CC=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C21	REAL300025566278	0	38	-1.0	-45.98	328.50	3.54	-42.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL300025566279	0	37	-1.0	-46.03	330.54	4.44	-41.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=NC(C3CC3)=NS2)C=N1	REAL300025566280	0	36	-1.0	-44.47	340.24	4.05	-40.42
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)CC1	REAL300025566281	0	36	-1.0	-52.29	298.40	-1.51	-53.80
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1CCS(=O)(=O)C1	REAL300025566282	0	42	-1.0	-58.88	344.47	-2.61	-61.49
CC1(C)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C(F)(F)F	REAL300025566283	0	36	-1.0	-45.69	306.31	2.37	-43.32
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2=CC=CC=C2NC1=O	REAL300025566284	0	38	-1.0	-46.91	319.19	1.35	-45.56
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300025566285	0	43	-1.0	-50.52	347.17	5.52	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300025566286	0	44	-1.0	-44.21	355.85	4.72	-39.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL300025566287	0	35	-1.0	-48.84	302.85	0.01	-48.83
CCOC(=O)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025566288	0	32	-1.0	-46.52	309.70	0.25	-46.27
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025566289	0	39	-1.0	-45.13	341.50	4.46	-40.67
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025566290	0	39	-1.0	-48.11	328.80	2.11	-46.00
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCCO1	REAL300025566291	0	34	-1.0	-41.34	292.00	0.72	-40.62
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(F)C=C1	REAL300025566292	0	38	-1.0	-46.23	327.33	2.55	-43.68
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025566293	0	47	-1.0	-52.17	375.84	2.30	-49.87
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025566294	0	47	-1.0	-52.25	378.76	1.58	-50.67
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566295	0	47	-1.0	-44.29	378.58	2.28	-42.01
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025566296	0	57	-1.0	-48.93	432.36	4.33	-44.60
CC1=C(Br)C=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566297	0	30	-1.0	-50.94	289.69	0.67	-50.27
O=C(CSC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025566298	0	31	-1.0	-49.54	305.65	3.24	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025566299	0	33	-1.0	-50.55	324.15	2.62	-47.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025566299	1	32	-2.0	-78.08	320.92	2.18	-75.90
O=C(CC1COCCN1CC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566300	0	39	-1.0	-50.73	317.04	-1.92	-52.65
C=C(F)C1(CC(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566301	0	48	-1.0	-54.65	392.79	2.67	-51.98
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2C1	REAL300025566302	0	51	-1.0	-50.43	409.21	4.73	-45.70
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025566303	0	53	-1.0	-47.25	407.81	3.43	-43.82
C[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025566304	0	50	-1.0	-45.32	388.04	3.04	-42.28
O=C(CN1C=C(C2CCOC2)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025566305	0	38	-1.0	-54.26	325.12	0.33	-53.93
CCC1=CC2=C(OCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566306	0	38	-1.0	-51.65	321.13	3.72	-47.93
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025566307	0	47	-1.0	-47.34	400.59	6.31	-41.03
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025566308	0	47	-1.0	-44.57	407.96	3.08	-41.49
C=CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025566309	0	54	-1.0	-46.51	408.13	3.68	-42.83
CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566310	0	54	-1.0	-53.35	419.70	4.12	-49.23
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566311	0	54	-1.0	-55.29	409.23	3.84	-51.45
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566312	0	46	-1.0	-50.37	389.56	3.31	-47.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL300025566313	0	37	-1.0	-51.24	344.15	3.70	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CS1	REAL300025566314	0	27	-1.0	-45.37	275.31	1.57	-43.80
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566315	0	34	-1.0	-49.66	307.81	-5.30	-54.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL300025566316	0	38	-1.0	-49.24	326.31	3.34	-45.90
CSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025566317	0	31	-1.0	-47.74	295.86	3.06	-44.68
CC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025566318	0	30	-1.0	-43.02	296.76	3.15	-39.87
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566319	0	54	-1.0	-54.07	411.34	4.61	-49.46
CC(C)(C)OC(=O)NCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL300025566320	0	44	-1.0	-50.14	372.45	-0.03	-50.17
CC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025566321	0	50	-1.0	-53.81	388.24	3.59	-50.22
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300025566322	0	32	-1.0	-52.50	307.70	1.96	-50.54
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566323	0	54	-1.0	-48.54	429.71	4.32	-44.22
COC1C(F)CCC(C(=O)NCCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025566324	0	51	-1.0	-49.36	402.82	2.48	-46.88
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC2CCC1C2	REAL300025566325	0	54	-1.0	-46.57	410.29	4.20	-42.37
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566326	0	49	-1.0	-42.23	372.56	1.15	-41.08
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=NN2C)=N1	REAL300025566327	0	37	-1.0	-55.77	329.41	0.50	-55.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1SCC1=CC=CC=C1	REAL300025566328	0	41	-1.0	-47.61	377.10	6.94	-40.67
CC1=NC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025566329	0	38	-1.0	-47.22	319.08	1.86	-45.36
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025566330	0	33	-1.0	-48.35	308.63	1.98	-46.37
CCC1=NC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025566331	0	41	-1.0	-47.11	340.65	2.46	-44.65
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566332	0	46	-1.0	-53.43	386.81	0.17	-53.26
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566333	0	47	-1.0	-46.85	379.71	2.20	-44.65
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025566334	0	57	-1.0	-47.64	427.40	5.42	-42.22
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566335	0	51	-1.0	-53.73	404.80	3.64	-50.09
CC1=CC(C)=CC(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566336	0	53	-1.0	-45.14	434.08	3.88	-41.26
CC1=CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025566337	0	40	-1.0	-51.55	348.96	3.87	-47.68
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300025566338	0	41	-1.0	-44.09	319.82	4.47	-39.62
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300025566339	0	41	-1.0	-47.19	332.02	4.33	-42.86
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCNS1(=O)=O	REAL300025566340	0	35	-1.0	-49.69	296.71	-3.69	-53.38
O=C(CCC1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025566341	0	30	-1.0	-44.36	301.23	2.84	-41.52
CN1N=CC2=C1CCN(C(=O)OC(C)(C)C)C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566342	0	51	-1.0	-59.09	407.87	2.76	-56.33
C[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025566343	0	50	-1.0	-47.30	388.57	3.15	-44.15
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566344	0	54	-1.0	-46.48	421.04	3.57	-42.91
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C(F)F)C1	REAL300025566345	0	47	-1.0	-51.36	388.78	1.23	-50.13
CN1C=CC(C23CC(CC2)C3C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025566346	0	41	-1.0	-53.04	335.13	3.17	-49.87
COC1=CC=C(Br)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566347	0	31	-1.0	-49.83	303.08	1.39	-48.44
CC(C)(C)C1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)C=C1	REAL300025566348	0	50	-1.0	-43.89	408.78	4.50	-39.39
CC1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)N2CC2CC2)S1	REAL300025566349	0	41	-1.0	-44.56	359.10	5.41	-39.15
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566350	0	51	-1.0	-44.49	400.96	0.45	-44.04
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566351	0	33	-1.0	-46.65	305.68	1.29	-45.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300025566352	0	34	-1.0	-45.79	324.16	3.44	-42.35
CC1(C)CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025566353	0	42	-1.0	-48.15	349.64	3.56	-44.59
O=C(CC1=CSC(NC2=CC=C(Cl)C=N2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025566354	0	37	-1.0	-52.55	355.08	3.28	-49.27
O=C(CC(C1=CC=CC=C1F)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566355	0	36	-1.0	-47.28	316.49	3.56	-43.72
O=C(COC1=CC=CC=C1C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566356	0	34	-1.0	-52.87	306.82	3.09	-49.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL300025566357	0	34	-1.0	-51.15	303.15	3.74	-47.41
CCOC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=NC=C1	REAL300025566358	0	36	-1.0	-48.07	328.64	1.32	-46.75
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566359	0	42	-1.0	-44.08	345.43	0.89	-43.19
COC(=O)CC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025566360	0	52	-1.0	-48.32	422.71	1.79	-46.53
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566361	0	48	-1.0	-54.45	385.88	3.20	-51.25
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025566362	0	52	-1.0	-48.29	418.72	4.37	-43.92
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL300025566363	0	37	-1.0	-46.48	315.43	2.30	-44.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC1)COCCO2	REAL300025566364	0	42	-1.0	-48.56	327.86	0.83	-47.73
CC(C)(C)OC(=O)N1CCC2(C(=O)NCCC3=NC(=O)O[N-]3)CCCCCC12	REAL300025566365	0	57	-1.0	-43.82	408.41	5.42	-38.40
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCCC1	REAL300025566366	0	53	-1.0	-49.87	395.14	3.24	-46.63
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NCCC1=NC(=O)O[N-]1	REAL300025566367	0	30	-1.0	-46.85	297.93	2.65	-44.20
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566368	0	53	-1.0	-48.95	414.49	2.33	-46.62
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C1	REAL300025566369	0	51	-1.0	-50.09	411.81	3.75	-46.34
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566370	0	56	-1.0	-46.90	417.53	3.97	-42.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300025566371	0	38	-1.0	-43.84	321.78	4.23	-39.61
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300025566372	0	33	-1.0	-55.82	304.60	-5.36	-61.18
CC1=NN(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566373	0	37	-1.0	-55.69	321.59	3.55	-52.14
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300025566374	0	37	-1.0	-45.04	325.22	4.20	-40.84
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C(Br)O1	REAL300025566375	0	30	-1.0	-43.57	292.47	1.63	-41.94
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566376	0	41	-1.0	-50.77	332.58	2.51	-48.26
CC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)C1(CCOCC1)O2	REAL300025566377	0	43	-1.0	-47.50	336.76	0.24	-47.26
CC(C)(C)OC(=O)NCC1(C2=NOC=C2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566378	0	50	-1.0	-52.01	417.10	1.43	-50.58
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566379	0	51	-1.0	-55.73	387.50	3.99	-51.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL300025566380	0	35	-1.0	-50.61	305.04	-1.13	-51.74
COC1=CC=C(C23CC(CC2)C3C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566381	0	45	-1.0	-48.34	364.52	4.30	-44.04
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CCOCC1	REAL300025566382	0	45	-1.0	-48.69	333.11	0.75	-47.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL300025566383	0	34	-1.0	-49.79	299.95	3.75	-46.04
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC(F)=C(F)C=C1F	REAL300025566384	0	31	-1.0	-43.57	289.32	0.57	-43.00
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300025566385	0	31	-1.0	-47.53	294.52	0.48	-47.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL300025566386	0	28	-1.0	-45.04	279.18	0.27	-44.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL300025566387	0	37	-1.0	-53.52	330.20	1.30	-52.22
CC1=C(Cl)C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566388	0	30	-1.0	-41.66	294.50	3.25	-38.41
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL300025566389	0	34	-1.0	-55.12	298.51	-0.36	-55.48
CC1=NC(C2CC2)=NC(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566390	0	38	-1.0	-43.81	328.90	2.08	-41.73
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025566391	0	36	-1.0	-47.24	332.52	2.71	-44.53
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025566392	0	33	-1.0	-47.53	312.25	2.12	-45.41
CC1(C)CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025566393	0	42	-1.0	-48.15	349.64	3.56	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300025566394	0	41	-1.0	-44.83	344.58	3.68	-41.15
CC1=CC(C)=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025566395	0	37	-1.0	-45.58	319.65	2.79	-42.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CCOCC2)=NN1	REAL300025566396	0	38	-1.0	-45.24	319.70	-0.63	-45.87
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025566397	0	45	-1.0	-44.54	354.64	3.94	-40.60
COC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025566398	0	47	-1.0	-45.89	379.72	3.53	-42.36
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL300025566399	0	33	-1.0	-45.98	295.47	1.64	-44.34
O=C(CCN1C=CC2=CC=CN=C21)NCCC1=NC(=O)O[N-]1	REAL300025566400	0	36	-1.0	-48.91	317.06	3.39	-45.52
CC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025566401	0	32	-1.0	-51.24	296.67	3.59	-47.65
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025566402	0	36	-1.0	-47.40	349.94	4.25	-43.15
O=C(CS(=O)(=O)C1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025566403	0	33	-1.0	-57.89	311.37	-0.73	-58.62
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=N1	REAL300025566404	0	34	-1.0	-45.39	303.96	-0.76	-46.15
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025566405	0	33	-1.0	-45.40	307.38	2.00	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)NC1=O	REAL300025566406	0	40	-1.0	-49.69	335.48	-0.57	-50.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL300025566406	1	39	-2.0	-86.39	332.23	-1.65	-88.04
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300025566407	0	30	-1.0	-54.15	290.39	1.85	-52.30
COC(=O)C1=CC2=C(SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)S1	REAL300025566408	0	33	-1.0	-45.34	328.47	2.76	-42.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300025566409	0	36	-1.0	-53.45	333.25	2.02	-51.43
O=C(CSC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566410	0	31	-1.0	-48.13	303.18	3.19	-44.94
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1I	REAL300025566411	0	31	-1.0	-44.97	299.45	1.98	-42.99
COCC1=CN=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566412	0	37	-1.0	-50.42	323.43	-0.79	-51.21
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566413	0	40	-1.0	-45.73	343.51	4.89	-40.84
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025566414	0	36	-1.0	-42.20	335.06	4.00	-38.20
COC1=CC=C(C(C)=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566415	0	38	-1.0	-45.09	327.26	2.85	-42.24
CC1(C)OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025566416	0	36	-1.0	-48.59	311.47	1.82	-46.77
COC1=CC=C(C(CC(=O)NCCC2=NC(=O)O[N-]2)C(F)F)C=C1	REAL300025566417	0	40	-1.0	-45.71	341.21	2.88	-42.83
COC1=CC2=C(OCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566418	0	36	-1.0	-51.06	307.73	1.59	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C2OC=CC2=CC=C1Cl	REAL300025566419	0	30	-1.0	-49.92	290.51	2.19	-47.73
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300025566420	0	36	-1.0	-45.51	335.68	3.15	-42.36
CC1=CSC2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CN=C12	REAL300025566421	0	31	-1.0	-44.25	291.91	1.55	-42.70
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300025566422	0	41	-1.0	-48.32	346.12	1.81	-46.51
CC(C)(C)OC(=O)NC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025566423	0	44	-1.0	-59.53	369.82	-0.22	-59.75
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566424	0	48	-1.0	-54.94	393.08	2.07	-52.87
CC1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025566425	0	30	-1.0	-43.38	288.99	3.21	-40.17
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566426	0	47	-1.0	-46.19	376.98	0.95	-45.24
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566427	0	47	-1.0	-45.20	386.61	1.52	-43.68
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566428	0	50	-1.0	-48.93	403.67	1.85	-47.08
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566429	0	61	-1.0	-50.18	484.92	4.46	-45.72
CC(C)(C)OC(=O)NCCOCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566430	0	47	-1.0	-47.80	389.89	-0.87	-48.67
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(N)C(OC)=C1OC	REAL300025566431	0	41	-1.0	-45.05	348.64	-0.92	-45.97
NC1=C(Cl)C=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566432	0	29	-1.0	-41.23	285.12	0.82	-40.41
NC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566433	0	29	-1.0	-42.41	274.38	0.36	-42.05
NC1=CC=C(I)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566434	0	29	-1.0	-42.10	280.86	0.84	-41.26
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1C(F)(F)F	REAL300025566435	0	32	-1.0	-44.94	288.24	0.88	-44.06
CC1=CC(Br)=C(N)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566436	0	32	-1.0	-43.57	293.90	1.10	-42.47
NC1=C(Br)C=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566437	0	29	-1.0	-41.29	278.92	0.50	-40.79
NC1=C(Br)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566438	0	29	-1.0	-44.22	272.53	0.43	-43.79
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Cl)=C1Cl	REAL300025566439	0	29	-1.0	-43.03	283.53	0.78	-42.25
NC1=C(I)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566440	0	29	-1.0	-43.97	278.48	0.92	-43.05
NC1=C(F)C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566441	0	29	-1.0	-41.47	280.65	0.46	-41.01
NC1=CC=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566442	0	32	-1.0	-42.70	292.67	0.75	-41.95
CC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N	REAL300025566443	0	32	-1.0	-42.35	293.42	1.12	-41.23
NC1=CC(F)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566444	0	29	-1.0	-41.39	280.62	0.41	-40.98
NC1=CC(F)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566445	0	29	-1.0	-41.47	276.22	0.31	-41.16
NC1=C(Br)C=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566446	0	29	-1.0	-41.17	289.24	0.94	-40.23
CC1=CN(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(N)C=C2F)N=C1	REAL300025566447	0	39	-1.0	-44.18	337.17	1.60	-42.58
COC1=CC(N)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025566448	0	39	-1.0	-50.94	340.60	-2.85	-53.79
CC1=C(Br)C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N	REAL300025566449	0	32	-1.0	-42.79	290.18	1.03	-41.76
NC1=C(Cl)C=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566450	0	29	-1.0	-41.38	274.81	0.38	-41.00
COC1=C(F)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(N)=C1F	REAL300025566451	0	33	-1.0	-42.70	298.77	-0.66	-43.36
NC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N	REAL300025566452	0	31	-1.0	-42.81	286.17	-1.49	-44.30
NC1=CC(Cl)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566453	0	29	-1.0	-41.36	285.51	0.72	-40.64
NC1=CC(Br)=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566454	0	29	-1.0	-41.49	280.63	0.41	-41.08
COC1=CC(Br)=C(N)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566455	0	33	-1.0	-42.96	301.96	-0.27	-43.23
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Cl)=C1F	REAL300025566456	0	29	-1.0	-43.70	275.51	0.33	-43.37
NC1=C(I)C=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566457	0	29	-1.0	-41.12	284.88	0.98	-40.14
COC1=CC(N)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025566458	0	33	-1.0	-43.55	302.85	-0.26	-43.81
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025566459	0	29	-1.0	-43.49	279.92	0.44	-43.05
COC1=C(N)C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Br	REAL300025566460	0	33	-1.0	-41.50	321.33	0.36	-41.14
COC1=CC(OC)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(N)=C1Cl	REAL300025566461	0	37	-1.0	-47.23	332.57	-1.41	-48.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=N1	REAL300025566462	0	26	-1.0	-41.30	276.82	0.81	-40.49
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566463	0	42	-1.0	-53.22	372.53	-4.04	-57.26
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300025566464	0	32	-1.0	-49.46	303.03	2.20	-47.26
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566465	0	51	-1.0	-50.88	400.50	0.18	-50.70
O=C(CCC1=C(Br)SC=C1)NCCC1=NC(=O)O[N-]1	REAL300025566466	0	30	-1.0	-44.95	298.43	2.59	-42.36
CN1C=C(Br)C(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566467	0	30	-1.0	-54.25	288.20	1.64	-52.61
CC(=O)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025566468	0	52	-1.0	-56.25	414.01	3.52	-52.73
CC(C)(C)OC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025566469	0	49	-1.0	-48.79	381.12	3.56	-45.23
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=NNN=C2)CCOCC1	REAL300025566470	0	40	-1.0	-45.30	316.36	-0.92	-46.22
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CNN=N2)CCOCC1	REAL300025566470	1	40	-1.0	-46.26	316.33	-0.84	-47.10
O=C(NCCC1=NC(=O)O[N-]1)C1=NN=C2C(Br)=CC=CN12	REAL300025566471	0	29	-1.0	-46.40	287.08	2.39	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2NC1=O	REAL300025566472	0	35	-1.0	-44.39	303.56	0.50	-43.89
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(F)C=C21	REAL300025566473	0	34	-1.0	-45.12	301.08	2.23	-42.89
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566474	0	34	-1.0	-46.97	303.19	3.42	-43.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300025566475	0	38	-1.0	-44.21	340.69	1.94	-42.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL300025566476	0	40	-1.0	-46.08	335.81	-1.28	-47.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300025566477	0	37	-2.0	-82.45	346.29	2.25	-80.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC(Br)=N2	REAL300025566478	0	27	-1.0	-45.39	283.77	-0.74	-46.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NN1	REAL300025566479	0	33	-1.0	-45.88	299.98	-0.19	-46.07
CC1=NSC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566480	0	26	-1.0	-41.83	273.48	0.27	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2N=C(Cl)N=C2C=C1	REAL300025566481	0	29	-1.0	-48.59	282.23	1.75	-46.84
COC(=O)C1=CC(OC)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025566482	0	37	-1.0	-50.94	335.80	1.89	-49.05
NC1=C(Br)C=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566483	0	28	-1.0	-42.42	267.58	-1.37	-43.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300025566484	0	37	0.0	-78.24	303.39	-0.33	-78.57
O=C(CCN1CCCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025566485	0	42	-1.0	-47.70	337.99	2.69	-45.01
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566486	0	44	-1.0	-51.27	365.46	-2.57	-53.84
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(NC(=O)OC(C)(C)C)O1	REAL300025566487	0	43	-1.0	-45.29	365.29	-2.40	-47.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-]	REAL300025566488	0	29	-1.0	-52.60	299.55	2.78	-49.82
NS(=O)(=O)C1=CC2=C(SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)S1	REAL300025566489	0	32	-1.0	-49.11	328.87	-2.99	-52.10
COC(=O)C1C(F)(F)C12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566490	0	37	-1.0	-50.78	331.50	2.68	-48.10
O=C(NCCC1=NC(=O)O[N-]1)C(O)CC1=CC=NC=C1Br	REAL300025566491	0	33	-1.0	-48.45	304.43	0.08	-48.37
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300025566492	0	36	-1.0	-50.28	316.91	2.19	-48.09
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566493	0	44	-1.0	-49.71	365.71	-2.30	-52.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=N1	REAL300025566494	0	29	-1.0	-41.68	296.39	1.32	-40.36
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566495	0	35	-2.0	-111.57	319.00	-2.97	-114.54
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566496	0	48	-1.0	-46.69	386.31	2.46	-44.23
CC1=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025566497	0	26	-1.0	-42.97	268.66	0.68	-42.29
CC(C)(C)OC(=O)N1CC(C2=NOC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566498	0	47	-1.0	-52.18	395.50	1.95	-50.23
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025566499	0	42	-1.0	-52.98	351.06	1.72	-51.26
CC(C)(C)OC(=O)NCC=C(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566500	0	41	-1.0	-43.78	351.77	-0.33	-44.11
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)[C@H](O)C1	REAL300025566501	0	48	-1.0	-54.72	388.57	-1.11	-55.83
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566502	0	48	-1.0	-46.69	386.31	2.46	-44.23
COC(CF)(OC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566503	0	41	-1.0	-47.66	345.11	2.00	-45.66
CCOC(=O)CCC(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566504	0	35	-1.0	-44.34	317.00	1.87	-42.47
COC1=CC(OC)=C(N)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566505	0	37	-1.0	-45.50	311.72	-1.56	-47.06
COC(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025566506	0	36	-1.0	-48.49	322.01	2.50	-45.99
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568507	0	36	-1.0	-47.37	333.46	0.43	-46.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL300025568508	0	29	-2.0	-114.12	287.84	-1.96	-116.08
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025568508	1	30	-1.0	-49.10	290.08	-1.57	-50.67
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568509	0	31	-1.0	-42.38	313.80	1.41	-40.97
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=C1	REAL300025568510	0	37	-1.0	-45.41	313.72	2.49	-42.92
O=C(NC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025568511	0	35	-1.0	-42.76	333.77	-0.62	-43.38
O=C1N=C(CCNS(=O)(=O)C2=CC(O)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025568512	0	32	-1.0	-41.01	312.72	-2.42	-43.43
O=C1N=C(CCNS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)[N-]O1	REAL300025568512	1	31	-2.0	-95.49	309.16	-1.65	-97.14
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568513	0	32	-1.0	-47.18	300.85	0.72	-46.46
CCCCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025568514	0	40	-1.0	-44.64	352.50	0.11	-44.53
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(OC)C=C1F	REAL300025568515	0	38	-1.0	-41.62	342.71	-0.05	-41.67
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568516	0	38	-1.0	-47.13	336.41	0.26	-46.87
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568517	0	41	-1.0	-44.26	358.70	0.91	-43.35
O=C1N=C(CCNS(=O)(=O)CC23CC[N@H+](C2)CCC3)[N-]O1	REAL300025568518	0	41	0.0	-59.66	318.73	0.00	-59.66
O=C1N=C(CCNS(=O)(=O)CC23CC[N@@H+](C2)CCC3)[N-]O1	REAL300025568518	1	41	0.0	-65.16	318.70	0.05	-65.11
COC(=O)C1CCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568519	0	40	-1.0	-46.53	342.14	0.39	-46.14
O=C1N=C(CCNS(=O)(=O)C2(COCC3=CC=CC=C3)CC2)[N-]O1	REAL300025568520	0	42	-1.0	-44.99	370.41	2.46	-42.53
CC1=NN(CCS(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)O1	REAL300025568521	0	33	-1.0	-47.55	312.16	-4.55	-52.10
COC1=C(F)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568522	0	32	-1.0	-42.31	297.41	-0.56	-42.87
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025568523	0	44	-1.0	-43.39	372.94	1.68	-41.71
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568524	0	40	-1.0	-44.40	341.20	1.69	-42.71
N#CC1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568525	0	29	-1.0	-41.99	290.21	-0.11	-42.10
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(F)C=C2Cl)[N-]O1	REAL300025568526	0	31	-1.0	-44.22	306.63	0.66	-43.56
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)[N-]O1	REAL300025568527	0	47	-1.0	-43.50	388.59	3.97	-39.53
CS(=O)(=NS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025568528	0	35	-1.0	-57.64	331.65	-1.72	-59.36
CS(=O)(=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025568528	1	34	-2.0	-123.28	325.70	-2.23	-125.51
COC(=O)C1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568529	0	37	-1.0	-46.80	341.54	0.82	-45.98
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)[N-]O1	REAL300025568530	0	30	-2.0	-103.41	308.32	0.20	-103.21
O=C1N=C(CCNS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)[N-]O1	REAL300025568530	1	31	-1.0	-45.56	310.56	0.57	-44.99
CN1N=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025568531	0	31	-1.0	-42.29	296.61	-1.84	-44.13
CN1N=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025568531	1	30	-2.0	-97.55	295.07	-2.30	-99.85
O=C1N=C(CCNS(=O)(=O)C2=NC3=CC=CC=C3C=C2)[N-]O1	REAL300025568532	0	33	-1.0	-50.46	305.06	-0.31	-50.77
O=C1N=C(CCNS(=O)(=O)C2=C3C=CC=CN3N=C2)[N-]O1	REAL300025568533	0	31	-1.0	-43.29	284.37	-1.25	-44.54
CC(C)(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(C)(F)F	REAL300025568534	0	36	-1.0	-43.01	301.97	-0.10	-43.11
NS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568535	0	35	-1.0	-53.48	326.69	-6.30	-59.78
O=C1N=C(CCNS(=O)(=O)C2=CNC3=NC=NC=C23)[N-]O1	REAL300025568536	0	30	-1.0	-49.67	279.50	-1.88	-51.55
O=C1N=C(CCNS(=O)(=O)C2=CNC3=CC=CC=C23)[N-]O1	REAL300025568538	0	32	-1.0	-48.02	289.55	-0.93	-48.95
CN1N=C2CCCCC2=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568539	0	38	-1.0	-42.34	321.95	-0.54	-42.88
O=C1N=C(CCNS(=O)(=O)C2=CSC=C2Br)[N-]O1	REAL300025568540	0	25	-1.0	-42.57	260.01	-1.49	-44.06
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(C)(C)C)=N1	REAL300025568541	0	40	-1.0	-46.09	333.50	-0.27	-46.36
O=C1N=C(CCNS(=O)(=O)C2=CN(C3CCCC3)N=C2)[N-]O1	REAL300025568542	0	38	-1.0	-45.59	330.38	-0.22	-45.81
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568543	0	31	-1.0	-44.04	289.24	-1.98	-46.02
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025568544	0	28	-1.0	-47.52	278.22	-2.79	-50.31
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)[N-]O1	REAL300025568545	0	30	-1.0	-45.18	297.72	-1.52	-46.70
CS(=O)(=NS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025568546	0	40	-2.0	-126.11	348.37	-1.54	-127.65
CS(=O)(=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025568546	1	40	-2.0	-126.11	348.37	-1.54	-127.65
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025568547	0	32	-2.0	-103.48	323.49	0.58	-102.90
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025568547	1	32	-2.0	-103.48	323.49	0.58	-102.90
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Br)=N2)[N-]O1	REAL300025568548	0	27	-1.0	-48.89	280.28	-1.98	-50.87
O=C1N=C(CCNS(=O)(=O)CC2CC3(CCC3)C2)[N-]O1	REAL300025568549	0	38	-1.0	-42.32	323.89	1.08	-41.24
O=C1N=C(CCNS(=O)(=O)CCCC2=CC=C(C(F)(F)F)C=C2)[N-]O1	REAL300025568550	0	40	-1.0	-44.51	368.47	2.73	-41.78
COC1=CC=C(F)C=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568551	0	35	-1.0	-45.08	321.31	-0.41	-45.49
O=C(C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F)N1CCCC1	REAL300025568552	0	42	-1.0	-46.54	368.90	0.63	-45.91
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2[O-])[N-]O1	REAL300025568553	0	29	-1.0	-43.81	278.90	-2.79	-46.60
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2O)[N-]O1	REAL300025568553	1	29	-1.0	-43.81	278.90	-2.79	-46.60
C=CCCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568554	0	38	-1.0	-42.25	340.17	2.21	-40.04
COC(=O)C1=CNN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568555	0	30	-2.0	-115.97	291.72	-3.28	-119.25
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568555	1	30	-2.0	-115.97	291.72	-3.28	-119.25
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568556	0	31	-1.0	-42.20	313.89	1.42	-40.78
CCC1=NN(C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568557	0	34	-1.0	-44.60	307.25	-1.46	-46.06
CC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568558	0	33	-1.0	-44.75	308.76	-0.08	-44.83
COC1=NC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568559	0	31	-1.0	-44.44	281.30	-3.36	-47.80
CC1(C)COC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568560	0	38	-1.0	-43.90	322.99	-1.25	-45.15
O=C1N=C(CCNS(=O)(=O)CC2CC3(CCC3)CO2)[N-]O1	REAL300025568561	0	39	-1.0	-44.03	329.89	-0.41	-44.44
COC1=NSC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568562	0	27	-2.0	-99.73	278.03	-5.08	-104.81
COC1=NSC=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568562	1	27	-2.0	-99.73	278.03	-5.08	-104.81
CS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568563	0	36	-1.0	-54.02	333.46	-3.73	-57.75
CC1(C)CCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)OC1	REAL300025568564	0	41	-1.0	-45.07	337.70	-0.43	-45.50
O=C1N=C(CCNS(=O)(=O)CC2CCC3(CCOCC3)CO2)[N-]O1	REAL300025568565	0	46	-1.0	-45.94	363.92	-1.16	-47.10
COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568566	0	37	-1.0	-46.77	324.71	-0.22	-46.99
O=C1N=C(CCNS(=O)(=O)CC2=C(Cl)SC=N2)[N-]O1	REAL300025568567	0	27	-1.0	-45.59	286.98	-2.30	-47.89
O=C1N=C(CCNS(=O)(=O)C2=CC=C(CCl)C=C2)[N-]O1	REAL300025568568	0	31	-1.0	-42.71	301.51	0.72	-41.99
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568569	0	36	-2.0	-127.25	324.29	-2.92	-130.17
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568569	1	36	-2.0	-127.25	324.29	-2.92	-130.17
CCCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025568570	0	50	-1.0	-41.84	415.93	3.26	-38.58
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C#N)=C1	REAL300025568571	0	32	-1.0	-50.46	289.74	-0.10	-50.56
CC1=CC=CC(C#N)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568572	0	32	-1.0	-43.56	290.07	0.44	-43.12
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)[N-]O1	REAL300025568573	0	31	-1.0	-45.32	302.19	0.39	-44.93
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)[N-]O1	REAL300025568574	0	39	-1.0	-45.48	340.24	-0.39	-45.87
CN(C)S(=O)(=NS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025568575	0	40	-1.0	-50.42	356.93	-1.29	-51.71
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CC(Cl)=C2)[N-]O1	REAL300025568576	0	32	-1.0	-42.14	311.61	1.13	-41.01
CCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(C)(C)C	REAL300025568577	0	50	-1.0	-43.23	407.00	3.15	-40.08
CCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1CC	REAL300025568578	0	44	-1.0	-42.11	377.52	1.95	-40.16
N#CCCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568579	0	35	-1.0	-47.19	326.72	1.39	-45.80
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568580	0	34	-1.0	-39.33	302.37	1.30	-38.03
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568581	0	42	-1.0	-47.09	355.51	-0.89	-47.98
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)[N-]O1	REAL300025568582	0	38	-1.0	-49.40	345.09	1.36	-48.04
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC(Cl)=C2Br)[N-]O1	REAL300025568583	0	31	-1.0	-46.21	318.33	1.16	-45.05
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC(F)=C2Br)[N-]O1	REAL300025568584	0	31	-1.0	-47.14	309.21	0.74	-46.40
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568585	0	34	-1.0	-42.71	323.83	1.35	-41.36
CC1(C)CCCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025568586	0	41	-1.0	-45.79	335.65	-0.37	-46.16
CC1=CN=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568587	0	30	-1.0	-46.39	281.37	-1.73	-48.12
COC1=NSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568588	0	27	-2.0	-92.47	279.98	-5.16	-97.63
COC1=NSC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025568588	1	27	-2.0	-92.47	279.98	-5.16	-97.63
COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568589	0	34	-1.0	-45.50	302.89	-0.78	-46.28
CCOC(=O)C1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL300025568590	0	40	-1.0	-46.29	363.99	1.16	-45.13
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)[N-]O1	REAL300025568591	0	33	-1.0	-50.22	331.59	-3.93	-54.15
COC1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025568592	0	31	-2.0	-108.83	309.69	-0.71	-109.54
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1F	REAL300025568592	1	31	-2.0	-108.83	309.69	-0.71	-109.54
CN1C=CC2=CC=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025568593	0	35	-1.0	-46.46	300.64	0.94	-45.52
O=C1N=C(CCNS(=O)(=O)C2CCC(F)(F)CC2)[N-]O1	REAL300025568594	0	34	-1.0	-42.66	299.62	-0.07	-42.73
O=C1N=C(CCNS(=O)(=O)C2=C(C3OCCO3)C=CS2)[N-]O1	REAL300025568595	0	34	-1.0	-45.79	316.04	-1.99	-47.78
O=C1N=C(CCNS(=O)(=O)CC2CS(=O)(=O)C2)[N-]O1	REAL300025568596	0	31	-1.0	-49.92	293.97	-4.88	-54.80
O=C1N=C(CCNS(=O)(=O)CCC(C2=CC=CC=C2)C(F)(F)F)[N-]O1	REAL300025568597	0	40	-1.0	-44.74	360.59	2.35	-42.39
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(S(=O)(=O)F)=C2)[N-]O1	REAL300025568598	0	31	-1.0	-45.21	309.57	-3.47	-48.68
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568599	0	38	-1.0	-43.46	337.56	1.75	-41.71
CC(C)(CCS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025568600	0	40	-1.0	-42.22	327.26	0.88	-41.34
CCOC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N(C)N=C1	REAL300025568601	0	37	-1.0	-47.07	331.63	-0.68	-47.75
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CC=C2Cl)[N-]O1	REAL300025568602	0	32	-1.0	-42.94	309.12	1.04	-41.90
O=C1N=C(CCNS(=O)(=O)CCCC2=CC=CC=C2)[N-]O1	REAL300025568603	0	37	-1.0	-44.11	329.73	1.73	-42.38
O=C1N=C(CCNS(=O)(=O)CC2CCCC3(CCC3)O2)[N-]O1	REAL300025568604	0	42	-1.0	-44.59	346.24	0.59	-44.00
O=C1N=C(CCNS(=O)(=O)CC2CCC(C(F)(F)F)O2)[N-]O1	REAL300025568605	0	35	-1.0	-46.21	321.98	-1.07	-47.28
COC(=O)C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025568606	0	34	-1.0	-45.40	326.66	-0.07	-45.47
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025568606	1	34	-1.0	-45.40	326.66	-0.07	-45.47
O=C1N=C(CCNS(=O)(=O)CC2CCCC(C(F)(F)F)O2)[N-]O1	REAL300025568607	0	38	-1.0	-45.27	339.65	-0.15	-45.42
O=C1N=C(CCNS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)[N-]O1	REAL300025568608	0	38	-1.0	-44.14	344.91	2.30	-41.84
CC(C)(C)OC(=O)N1CCCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568609	0	48	-1.0	-47.96	391.18	0.47	-47.49
COC(=O)[C@H]1C[C@@H](S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568610	0	34	-1.0	-47.34	305.09	-0.92	-48.26
O=C1N=C(CCNS(=O)(=O)CC2=NOC(C3CC3)=N2)[N-]O1	REAL300025568611	0	33	-1.0	-47.44	309.94	-2.85	-50.29
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568612	0	34	-1.0	-43.71	319.36	0.14	-43.57
N#CC1CCOCC1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568613	0	33	-1.0	-45.93	292.60	-2.22	-48.15
O=C1N=C(CCNS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)[N-]O1	REAL300025568614	0	38	-1.0	-42.34	333.50	1.73	-40.61
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC3=NSN=C32)[N-]O1	REAL300025568615	0	32	-1.0	-50.54	310.96	-1.52	-52.06
CC1CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL300025568616	0	38	-1.0	-42.25	318.05	-1.08	-43.33
COC(=O)C1=CN2C=NC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025568617	0	37	-1.0	-46.31	344.39	1.31	-45.00
CO[C@H]1C2=CC=CC=C2CC[C@@H]1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568618	0	42	-1.0	-44.86	355.71	1.07	-43.79
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(N)=O)O1	REAL300025568619	0	32	-1.0	-49.89	304.26	-5.01	-54.90
CCCC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568620	0	37	-1.0	-43.26	315.71	2.01	-41.25
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)OC	REAL300025568621	0	40	-1.0	-46.49	368.65	1.08	-45.41
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568622	0	41	-1.0	-47.58	364.17	0.21	-47.37
O=C1N=C(CCNS(=O)(=O)CC2=NOC3=C2CCCC3)[N-]O1	REAL300025568623	0	37	-1.0	-48.73	325.10	0.15	-48.58
O=C1N=C(CCNS(=O)(=O)C2=CSC=C2C(F)F)[N-]O1	REAL300025568624	0	28	-1.0	-40.85	277.35	-0.38	-41.23
COC(=O)C1=CC=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568625	0	33	-1.0	-49.39	313.96	-1.79	-51.18
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC(F)=C2)[N-]O1	REAL300025568626	0	34	-1.0	-43.18	314.64	1.01	-42.17
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568627	0	44	-1.0	-42.44	377.52	2.20	-40.24
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=CC=NC=C32)[N-]O1	REAL300025568628	0	33	-1.0	-45.46	299.17	-0.03	-45.49
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568629	0	48	-1.0	-49.24	389.94	1.90	-47.34
COC(=O)C1=CN(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568630	0	35	-1.0	-52.17	318.19	-0.59	-52.76
O=C1N=C(CCNS(=O)(=O)CCCC2CCCCC2)[N-]O1	REAL300025568631	0	43	-1.0	-42.44	350.51	1.89	-40.55
N#CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025568632	0	29	-1.0	-52.83	281.60	-0.46	-53.29
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025568633	0	28	-2.0	-90.94	297.41	-1.58	-92.52
O=C1N=C(CC[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025568633	1	28	-2.0	-90.94	297.41	-1.58	-92.52
O=C1N=C(CCNS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)[N-]O1	REAL300025568634	0	45	-1.0	-42.12	339.98	2.33	-39.79
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=N2)[N-]O1	REAL300025568635	0	29	-1.0	-44.23	287.35	-1.78	-46.01
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025568636	0	31	-1.0	-44.87	317.55	-1.30	-46.17
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568636	1	31	-1.0	-44.87	317.55	-1.30	-46.17
O=C1N=C(CCNS(=O)(=O)CC2=CC3=NON=C3C=C2)[N-]O1	REAL300025568637	0	32	-1.0	-44.27	301.93	-1.07	-45.34
N#CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025568638	0	29	-1.0	-50.43	284.19	-0.21	-50.64
O=C1N=C(CCNS(=O)(=O)C2=CC=C3SC=NC3=C2)[N-]O1	REAL300025568639	0	30	-1.0	-43.66	293.93	-1.18	-44.84
O=C1N=C(CCNS(=O)(=O)CCOC2CCOC2)[N-]O1	REAL300025568640	0	36	-1.0	-43.43	317.78	-3.38	-46.81
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025568641	0	27	-2.0	-96.96	292.51	-0.24	-97.20
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025568641	1	27	-2.0	-96.96	292.51	-0.24	-97.20
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=NN1	REAL300025568642	0	30	-2.0	-90.81	297.79	-3.84	-94.65
COC(=O)C1=N[N-]C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568642	1	30	-2.0	-90.83	297.89	-3.83	-94.66
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025568642	1	30	-2.0	-90.83	297.89	-3.83	-94.66
O=C1N=C(CCNS(=O)(=O)CCN2CCOC2=O)[N-]O1	REAL300025568643	0	33	-1.0	-55.55	303.13	-2.74	-58.29
O=C1N=C(CCNS(=O)(=O)CC2CCC(C3CC3)O2)[N-]O1	REAL300025568644	0	39	-1.0	-44.87	335.31	0.09	-44.78
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568645	0	37	-1.0	-48.53	335.93	0.31	-48.22
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025568646	0	42	-1.0	-44.74	358.52	-0.49	-45.23
O=C(C1CC1)N1CCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025568647	0	43	-1.0	-60.57	373.66	2.09	-58.48
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025568648	0	42	-1.0	-59.88	363.80	1.37	-58.51
O=C1N=C(CCNS(=O)(=O)C2=CN(C3CCC3)N=C2)[N-]O1	REAL300025568649	0	35	-1.0	-46.21	312.86	-0.89	-47.10
O=C1N=C(CCNS(=O)(=O)C2=CC=NN2C2CCC2)[N-]O1	REAL300025568650	0	35	-1.0	-41.60	310.26	-0.68	-42.28
O=C1N=C(CCNS(=O)(=O)C2=CC=NN2CC2CCC2)[N-]O1	REAL300025568651	0	38	-1.0	-42.25	326.41	-0.28	-42.53
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025568652	0	40	-1.0	-45.05	353.73	2.30	-42.75
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568653	0	41	-1.0	-49.74	367.71	0.83	-48.91
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568654	0	38	-1.0	-44.72	336.64	0.22	-44.50
O=C1N=C(CCNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)[N-]O1	REAL300025568655	0	33	-1.0	-42.23	314.02	-1.55	-43.78
O=C1N=C(CCNS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)[N-]O1	REAL300025568655	1	33	-1.0	-42.23	314.02	-1.55	-43.78
CC1(C)COC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=NN2C1	REAL300025568656	0	39	-1.0	-43.16	333.89	-2.52	-45.68
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)[N-]O1	REAL300025568657	0	34	-1.0	-43.95	329.81	0.34	-43.61
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)[N-]O1	REAL300025568658	0	34	-1.0	-44.11	313.70	-3.33	-47.44
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)C=CO2)[N-]O1	REAL300025568659	0	25	-1.0	-42.90	266.11	-1.99	-44.89
O=C1N=C(CCNS(=O)(=O)C2=C(Br)C=CO2)[N-]O1	REAL300025568659	1	25	-1.0	-42.90	266.11	-1.99	-44.89
COC1=C(F)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568660	0	32	-1.0	-42.36	308.83	-1.02	-43.38
O=C1N=C(CCNS(=O)(=O)C2=CN=C3CCCCN23)[N-]O1	REAL300025568661	0	35	-1.0	-46.95	304.52	-0.47	-47.42
COC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025568662	0	32	-1.0	-42.62	296.93	-1.44	-44.06
CCCCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025568663	0	53	-1.0	-41.79	437.43	4.04	-37.75
COC1=CC(C(C)C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025568664	0	44	-1.0	-44.06	366.39	1.55	-42.51
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568665	0	38	-1.0	-40.66	325.96	2.08	-38.58
CCOCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(C)C	REAL300025568666	0	51	-1.0	-46.07	428.42	1.90	-44.17
CC1=CSC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568667	0	31	-1.0	-39.57	285.67	0.11	-39.46
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025568668	0	38	-1.0	-41.73	304.56	-1.42	-43.15
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2[O-])[N-]O1	REAL300025568669	0	29	-1.0	-43.81	278.90	-2.79	-46.60
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2O)[N-]O1	REAL300025568669	1	29	-1.0	-43.81	278.90	-2.79	-46.60
O=C1N=C(CCNS(=O)(=O)CC2CCC3(CCC3)O2)[N-]O1	REAL300025568670	0	39	-1.0	-46.93	331.02	-0.37	-47.30
CN1N=CC(C2OCCO2)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568671	0	37	-1.0	-45.63	325.07	-2.88	-48.51
O=C1N=C(CCNS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025568672	0	33	-2.0	-100.93	337.60	0.31	-100.62
O=C1N=C(CC[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025568672	1	33	-2.0	-100.93	337.60	0.31	-100.62
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568673	0	51	-1.0	-46.27	415.72	-0.20	-46.47
O=C1N=C(CCNS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)[N-]O1	REAL300025568674	0	37	-1.0	-47.24	317.02	-3.12	-50.36
COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568675	0	34	-1.0	-46.07	308.61	-0.71	-46.78
COC1=CC=CC([O-])=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568676	0	33	-1.0	-45.60	297.52	-2.03	-47.63
COC1=CC=CC(O)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568676	1	33	-1.0	-45.60	297.52	-2.03	-47.63
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025568677	0	36	-2.0	-109.57	335.06	-1.76	-111.33
CC1=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025568677	1	36	-2.0	-109.57	335.06	-1.76	-111.33
CC1CC2=CC=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025568678	0	36	-1.0	-45.42	313.79	0.05	-45.37
CC(C)(C)C1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568679	0	36	-1.0	-41.89	331.64	-0.90	-42.79
N#CC1(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025568680	0	36	-1.0	-43.73	331.21	1.64	-42.09
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568681	0	31	-2.0	-105.36	300.80	-0.28	-105.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568681	1	31	-2.0	-105.36	300.80	-0.28	-105.64
CC1=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025568682	0	31	-1.0	-42.97	306.12	0.76	-42.21
CC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025568683	0	31	-1.0	-42.25	308.69	1.43	-40.82
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3(C(F)(F)F)N=N3)C=C2)[N-]O1	REAL300025568684	0	34	-1.0	-40.97	338.16	-4.14	-45.11
O=C1N=C(CCNS(=O)(=O)CC2=NN(CC(F)(F)F)C=C2)[N-]O1	REAL300025568685	0	34	-1.0	-54.70	329.02	-0.81	-55.51
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025568686	0	32	-2.0	-100.51	316.65	-4.19	-104.70
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025568686	1	32	-2.0	-100.51	316.65	-4.19	-104.70
CC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1O	REAL300025568687	0	35	-1.0	-42.54	311.73	-1.46	-44.00
O=C1N=C(CCNS(=O)(=O)C2=CN=C(F)C(Cl)=C2)[N-]O1	REAL300025568688	0	27	-1.0	-40.78	280.61	-1.93	-42.71
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025568689	0	33	-1.0	-43.23	313.92	-1.73	-44.96
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025568690	0	45	-1.0	-55.64	372.92	1.54	-54.10
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)[N-]O1	REAL300025568691	0	34	-1.0	-43.71	316.65	0.06	-43.65
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025568692	0	42	-1.0	-58.29	362.43	1.04	-57.25
O=C1N=C(CCNS(=O)(=O)C2=CSC=C2Cl)[N-]O1	REAL300025568693	0	25	-1.0	-43.26	257.75	-1.57	-44.83
CN1N=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568694	0	28	-1.0	-42.44	284.93	-2.45	-44.89
O=C1N=C(CCNS(=O)(=O)CC2=CSC([N+](=O)[O-])=C2)[N-]O1	REAL300025568695	0	30	-1.0	-48.26	306.78	-0.06	-48.32
O=C1N=C(CCNS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)[N-]O1	REAL300025568696	0	41	-1.0	-42.02	330.51	1.44	-40.58
O=C1N=C(CCNS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)[N-]O1	REAL300025568697	0	30	-1.0	-41.16	296.87	-1.41	-42.57
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568698	0	33	-1.0	-50.97	304.72	-0.99	-51.96
O=C1N=C(CCNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)[N-]O1	REAL300025568699	0	37	-1.0	-41.64	306.62	-0.68	-42.32
O=C1N=C(CCNS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)[N-]O1	REAL300025568700	0	32	-1.0	-47.13	310.80	-0.33	-47.46
O=C1N=C(CCNS(=O)(=O)C2=CC3=NON=C3C=C2)[N-]O1	REAL300025568701	0	29	-1.0	-43.47	277.86	-1.79	-45.26
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3S2)[N-]O1	REAL300025568702	0	31	-1.0	-45.71	301.83	0.85	-44.86
O=C1N=C(CCNS(=O)(=O)C2=CNC3=C(Br)C=CC=C23)[N-]O1	REAL300025568703	0	32	-1.0	-44.23	310.85	-0.33	-44.56
O=C1N=C(CCNS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)[N-]O1	REAL300025568704	0	31	-1.0	-53.30	307.89	-0.87	-54.17
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568705	0	35	-1.0	-43.15	314.92	-0.85	-44.00
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1F	REAL300025568706	0	37	-1.0	-39.82	314.55	1.60	-38.22
COC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025568707	0	36	-1.0	-44.25	320.40	-0.76	-45.01
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)[N-]O1	REAL300025568708	0	37	-1.0	-56.11	331.32	-3.35	-59.46
N#CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025568709	0	29	-1.0	-45.47	303.50	0.33	-45.14
O=C1N=C(CCNS(=O)(=O)C2=COC3=CC=CC=C23)[N-]O1	REAL300025568710	0	31	-1.0	-44.54	285.91	-0.61	-45.15
COC1=CC=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025568711	0	36	-1.0	-46.91	322.40	-0.25	-47.16
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025568712	0	31	-1.0	-44.69	321.62	-1.19	-45.88
COC(=O)C1=C(Br)OC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568712	1	31	-1.0	-44.69	321.62	-1.19	-45.88
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCC2)=N1	REAL300025568713	0	41	-1.0	-44.47	332.22	0.70	-43.77
N#CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2S1	REAL300025568714	0	32	-1.0	-48.20	313.83	1.35	-46.85
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL300025568715	0	35	-1.0	-44.21	300.98	-0.12	-44.33
NC1=CC=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025568716	0	36	-1.0	-45.23	320.64	-0.34	-45.57
O=C1N=C(CCNS(=O)(=O)CCC2NC(=O)NC2=O)[N-]O1	REAL300025568717	0	33	-1.0	-50.30	306.84	-6.67	-56.97
O=CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025568718	0	27	-1.0	-41.83	273.06	-2.05	-43.88
O=C1N=C(CCNS(=O)(=O)C2=CN=C3C=CC=CN23)[N-]O1	REAL300025568719	0	31	-1.0	-49.20	288.47	-0.17	-49.37
O=C1N=C(CCNS(=O)(=O)CCCCC(F)(F)F)[N-]O1	REAL300025568720	0	33	-1.0	-44.11	309.45	-0.13	-44.24
CC(C)C(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025568721	0	42	-1.0	-42.10	326.16	0.67	-41.43
CN1C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL300025568722	0	36	-1.0	-48.63	324.12	-4.72	-53.35
CC1(C)COCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025568723	0	39	-1.0	-46.05	329.25	-2.05	-48.10
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC(F)F)C=C2)[N-]O1	REAL300025568724	0	32	-1.0	-45.78	302.22	-0.99	-46.77
O=C1N=C(CCNS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)[N-]O1	REAL300025568725	0	32	-1.0	-49.43	310.89	-0.31	-49.74
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025568726	0	30	-2.0	-110.18	290.16	-1.73	-111.91
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025568726	1	30	-2.0	-110.18	290.16	-1.73	-111.91
CN1N=NC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025568727	0	33	-1.0	-57.52	301.34	-2.15	-59.67
O=C1N=C(CCNS(=O)(=O)C2=COC3=CC=CC=C23)[N-]O1	REAL300025568728	0	31	-1.0	-44.54	285.91	-0.61	-45.15
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[N-]O1	REAL300025568729	0	28	-2.0	-94.20	294.20	-0.90	-95.10
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025568730	0	34	-1.0	-43.79	317.17	1.52	-42.27
CC1(C)CCCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568731	0	39	-1.0	-40.94	317.48	-0.17	-41.11
O=C(NCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025568732	0	45	-1.0	-48.45	401.72	-0.34	-48.79
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568733	0	38	-1.0	-44.72	322.20	0.07	-44.65
COC(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568734	0	36	-1.0	-47.06	325.28	-0.49	-47.55
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025568735	0	30	-1.0	-39.86	293.19	1.03	-38.83
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025568735	1	30	-1.0	-39.86	293.19	1.03	-38.83
O=C1N=C(CCNS(=O)(=O)C2=CN=C3SC=CN23)[N-]O1	REAL300025568736	0	28	-1.0	-49.18	282.74	-1.07	-50.25
N#CC1(OCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025568737	0	40	-1.0	-47.30	347.07	-2.83	-50.13
CC(C)(CCS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025568738	0	36	-1.0	-43.26	318.50	-0.12	-43.38
CCOC(=O)[C@@H]1CCC[C@@H](CS(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025568739	0	44	-1.0	-49.94	371.51	0.60	-49.34
COC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCCOC1	REAL300025568740	0	42	-1.0	-43.37	349.23	-1.74	-45.11
CC(F)(F)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025568741	0	41	-1.0	-45.70	325.22	-0.81	-46.51
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)[N-]O1	REAL300025568742	0	34	-1.0	-41.25	331.19	0.57	-40.68
O=C1N=C(CCNS(=O)(=O)C2=C3C=COC3=C(F)C=C2)[N-]O1	REAL300025568743	0	31	-1.0	-41.63	285.96	-0.68	-42.31
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C2CCC2)=N1	REAL300025568744	0	38	-1.0	-44.14	315.80	0.12	-44.02
O=C1N=C(CCNS(=O)(=O)NCCC2=CC=CC=C2)[N-]O1	REAL300025568745	0	36	-1.0	-42.51	323.60	-0.56	-43.07
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568746	0	46	-1.0	-43.31	377.19	3.44	-39.87
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)[N-]O1	REAL300025568747	0	34	-1.0	-40.41	334.17	1.31	-39.10
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)SC=C2)[N-]O1	REAL300025568748	0	25	-1.0	-41.98	258.43	-1.45	-43.43
O=C1N=C(CCNS(=O)(=O)C2=CN(CC3CCC3)N=C2)[N-]O1	REAL300025568749	0	38	-1.0	-42.89	336.97	0.07	-42.82
O=C1N=C(CCNS(=O)(=O)C2=C(C3CC3)C=CS2)[N-]O1	REAL300025568750	0	32	-1.0	-43.16	298.89	0.68	-42.48
CC(C)(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025568751	0	33	-1.0	-40.54	293.17	-0.41	-40.95
CC1(C)C2CCC1(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025568752	0	44	-1.0	-42.04	342.68	1.61	-40.43
CC1CC(C)CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568753	0	40	-1.0	-41.68	323.13	0.79	-40.89
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)[N-]O1	REAL300025568754	0	39	-1.0	-44.52	361.44	2.26	-42.26
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568755	0	41	-1.0	-49.48	352.78	-2.16	-51.64
COC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025568756	0	37	-1.0	-53.55	328.42	0.65	-52.90
CC(C)(C)OC(=O)NCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568757	0	44	-1.0	-47.24	374.84	-2.30	-49.54
CCCC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568758	0	37	-1.0	-42.14	327.37	1.64	-40.50
COC(=O)C1=NN(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568759	0	34	-1.0	-47.75	319.25	-2.23	-49.98
O=C1N=C(CCNS(=O)(=O)CCOCC(F)F)[N-]O1	REAL300025568760	0	31	-1.0	-47.16	295.36	-2.52	-49.68
COC(=O)C1=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025568761	0	34	-1.0	-50.32	326.69	-0.03	-50.35
O=C1N=C(CCNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)[N-]O1	REAL300025568762	0	35	-1.0	-41.74	334.97	2.18	-39.56
O=C1N=C(CCNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2Br)[N-]O1	REAL300025568763	0	35	-1.0	-42.91	331.95	2.06	-40.85
N#CC1=CC=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568764	0	29	-1.0	-47.37	274.72	-0.70	-48.07
CN1N=C2CCCC2=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568765	0	35	-1.0	-43.17	307.65	-1.01	-44.18
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025568766	0	32	-1.0	-42.82	319.42	0.77	-42.05
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025568767	0	40	-1.0	-46.46	363.65	2.34	-44.12
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568768	0	37	-1.0	-42.92	306.71	-0.96	-43.88
CC(C)(C)N1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568769	0	37	-1.0	-42.64	327.46	-0.85	-43.49
O=C1N=C(CCNS(=O)(=O)C2=CNN=C2C2CCC2)[N-]O1	REAL300025568770	0	35	-1.0	-43.14	292.89	-1.22	-44.36
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN=C1C(F)(F)F	REAL300025568771	0	33	-1.0	-40.69	313.90	-0.75	-41.44
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568772	0	39	-1.0	-45.04	337.24	0.25	-44.79
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=C(F)C([N+](=O)[O-])=C2)[N-]O1	REAL300025568773	0	30	-1.0	-44.53	302.01	0.18	-44.35
O=C1N=C(CCNS(=O)(=O)C2CCC(C(F)F)CC2)[N-]O1	REAL300025568774	0	37	-1.0	-45.06	319.11	0.55	-44.51
N#CC(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025568775	0	39	-1.0	-49.79	335.44	-1.20	-50.99
O=C1N=C(CCNS(=O)(=O)C2CCOC(C(F)(F)F)C2)[N-]O1	REAL300025568776	0	35	-1.0	-42.99	318.68	-1.44	-44.43
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025568777	0	31	-1.0	-40.44	308.12	0.50	-39.94
O=C1N=C(CCNS(=O)(=O)C2=CC=C(CF)C=C2)[N-]O1	REAL300025568778	0	31	-1.0	-43.18	290.96	0.25	-42.93
O=C1N=C(CCNS(=O)(=O)C2=C(C(F)(F)F)SC=C2)[N-]O1	REAL300025568779	0	28	-1.0	-40.76	283.89	-0.05	-40.81
O=C1N=C(CCNS(=O)(=O)C2=CSC(C(F)(F)F)=C2)[N-]O1	REAL300025568780	0	28	-1.0	-39.55	294.72	-0.48	-40.03
O=C1N=C(CCNS(=O)(=O)N2CCC(F)(F)CC2)[N-]O1	REAL300025568781	0	33	-1.0	-41.18	290.53	-1.38	-42.56
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568782	0	38	-1.0	-47.12	345.17	-1.55	-48.67
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568783	0	24	-2.0	-96.07	265.11	-2.23	-98.30
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568783	1	24	-2.0	-96.07	265.11	-2.23	-98.30
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)[N-]O1	REAL300025568784	0	31	-1.0	-42.71	314.87	0.85	-41.86
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C(F)F)[N-]O1	REAL300025568785	0	31	-1.0	-46.06	282.85	0.91	-45.15
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568786	0	39	-1.0	-45.99	347.56	1.46	-44.53
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)[N-]O1	REAL300025568787	0	39	-1.0	-43.76	331.66	2.50	-41.26
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568788	0	38	-1.0	-45.05	343.19	1.12	-43.93
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)[N-]O1	REAL300025568789	0	34	-1.0	-42.42	325.44	0.46	-41.96
O=C1N=C(CCNS(=O)(=O)N2CC3=CC=CC=C3C2)[N-]O1	REAL300025568790	0	34	-1.0	-42.50	305.42	-0.12	-42.62
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568791	0	33	-1.0	-39.21	314.00	-0.05	-39.26
CC(=O)OCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568792	0	37	-1.0	-45.84	341.41	1.09	-44.75
O=C1N=C(CCNS(=O)(=O)CC2=NOC3=C2COCC3)[N-]O1	REAL300025568793	0	35	-1.0	-46.01	316.02	-2.21	-48.22
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568794	0	38	-1.0	-42.64	359.17	0.20	-42.44
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)N=N2)[N-]O1	REAL300025568795	0	25	-2.0	-97.71	268.52	-3.50	-101.21
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)N=N2)[N-]O1	REAL300025568795	1	25	-2.0	-97.71	268.52	-3.50	-101.21
CN1N=C2C=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C2=N1	REAL300025568796	0	33	-1.0	-47.89	301.19	-2.23	-50.12
CC1CCCC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568797	0	40	-1.0	-41.79	326.51	1.17	-40.62
O=C1N=C(CCNS(=O)(=O)CC2C3CC4CC(C3)CC2C4)[N-]O1	REAL300025568798	0	45	-1.0	-41.76	339.64	2.07	-39.69
CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568799	0	50	-1.0	-49.93	401.67	0.35	-49.58
N#CC1(OCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025568800	0	36	-1.0	-47.19	327.14	-1.38	-48.57
CCOC(=O)C(C)(C)CCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568801	0	42	-1.0	-46.52	359.09	0.58	-45.94
O=C1N=C(CCNS(=O)(=O)CCC2CCCOC2)[N-]O1	REAL300025568802	0	38	-1.0	-43.82	320.08	-1.27	-45.09
CN1C=C(Br)C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025568803	0	31	-1.0	-47.75	310.47	-1.57	-49.32
CC1(C)CCOC1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568804	0	38	-1.0	-45.60	317.05	-1.48	-47.08
O=C1N=C(CCNS(=O)(=O)CC(F)(F)CC2CC2)[N-]O1	REAL300025568805	0	33	-2.0	-103.48	308.39	0.07	-103.41
O=C1N=C(CC[N-]S(=O)(=O)CC(F)(F)CC2CC2)[N-]O1	REAL300025568805	1	33	-2.0	-103.48	308.39	0.07	-103.41
COC(=O)C1=NOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568806	0	33	-1.0	-46.94	318.83	-1.70	-48.64
CC(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568807	0	44	-1.0	-51.50	389.53	1.35	-50.15
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CC=C2Cl)[N-]O1	REAL300025568808	0	28	-1.0	-40.75	285.94	0.11	-40.64
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)[N-]O1	REAL300025568809	0	37	-1.0	-52.49	337.13	-0.60	-53.09
O=C1N=C(CCNS(=O)(=O)C2=CSC=C2C(F)(F)F)[N-]O1	REAL300025568810	0	28	-1.0	-40.96	282.25	-0.18	-41.14
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C3CC3)=C2)[N-]O1	REAL300025568811	0	35	-1.0	-42.29	312.19	1.54	-40.75
COC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025568812	0	29	-1.0	-41.42	278.90	-2.04	-43.46
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)[N-]O1	REAL300025568813	0	31	-1.0	-41.44	294.28	1.07	-40.37
COC(=O)C1=C(C)SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568814	0	34	-1.0	-42.28	329.15	-0.22	-42.50
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3CC3)C=C2F)[N-]O1	REAL300025568815	0	35	-1.0	-45.61	310.50	1.30	-44.31
O=C1N=C(CCNS(=O)(=O)C2=CC=NN2C2CCCC2)[N-]O1	REAL300025568816	0	38	-1.0	-42.35	327.80	0.02	-42.33
CCC(C)N1N=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568817	0	37	-1.0	-44.08	324.27	-0.87	-44.95
CNC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568818	0	37	-1.0	-47.40	334.18	-3.05	-50.45
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568819	0	31	-1.0	-49.70	316.91	-4.07	-53.77
CNC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568820	0	37	-1.0	-47.40	334.18	-3.05	-50.45
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CS2)[N-]O1	REAL300025568821	0	29	-1.0	-44.45	286.85	-0.24	-44.69
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)[N-]O1	REAL300025568822	0	31	-1.0	-42.47	287.85	1.01	-41.46
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568823	0	40	-1.0	-46.81	352.66	3.19	-43.62
CN(C1CCCCCC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568824	0	42	-1.0	-41.60	328.30	0.22	-41.38
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025568825	0	27	-2.0	-94.72	284.59	-1.74	-96.46
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025568825	1	27	-2.0	-94.72	284.59	-1.74	-96.46
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568826	0	32	-1.0	-38.53	296.21	-0.61	-39.14
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025568827	0	42	-1.0	-45.16	361.35	-1.41	-46.57
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568828	0	34	-1.0	-42.18	316.19	0.96	-41.22
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)[N-]O1	REAL300025568829	0	32	-1.0	-43.94	302.23	-0.99	-44.93
O=C1N=C(CCNS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)[N-]O1	REAL300025568830	0	43	-1.0	-41.81	358.51	2.10	-39.71
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568831	0	29	-1.0	-42.56	286.76	-2.12	-44.68
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL300025568832	0	39	-1.0	-47.14	325.05	1.35	-45.79
O=C1N=C(CCNS(=O)(=O)N2CCC(C(F)(F)F)CC2)[N-]O1	REAL300025568833	0	36	-1.0	-43.08	316.60	-0.58	-43.66
O=C1N=C(CCNS(=O)(=O)C2=CN(CCF)N=C2)[N-]O1	REAL300025568834	0	31	-1.0	-46.02	295.65	-1.87	-47.89
CCOCC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568835	0	38	-1.0	-43.36	339.90	0.12	-43.24
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568836	0	37	-1.0	-46.10	342.57	1.66	-44.44
O=C1N=C(CCNS(=O)(=O)CC(F)C2=CC=CC=C2)[N-]O1	REAL300025568837	0	34	-1.0	-45.64	311.98	0.99	-44.65
CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL300025568838	0	34	-1.0	-48.41	303.79	-4.13	-52.54
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCNC3=C2)[N-]O1	REAL300025568839	0	34	-1.0	-43.72	302.92	-1.38	-45.10
CC(C)(C)OC(=O)C1CCCCN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568840	0	48	-1.0	-42.83	376.13	2.16	-40.67
N#CC1(OCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025568841	0	42	-1.0	-47.78	355.41	-0.48	-48.26
COC(=O)C1CN(C(=O)NCCC2=NC(=O)O[N-]2)CCO1	REAL300025568842	0	36	-1.0	-48.69	307.79	0.40	-48.29
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568843	0	36	-2.0	-92.37	336.38	-2.86	-95.23
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568843	1	36	-2.0	-92.37	336.38	-2.86	-95.23
O=C1N=C(CCNS(=O)(=O)C2=CN=C3C=CC=NN23)[N-]O1	REAL300025568844	0	30	-1.0	-55.30	287.97	-2.03	-57.33
O=C1N=C(CCNS(=O)(=O)CC2CCCC(C3CC3)O2)[N-]O1	REAL300025568845	0	42	-1.0	-44.04	353.20	1.02	-43.02
O=C1N=C(CCNS(=O)(=O)CC2=CC(Br)=NO2)[N-]O1	REAL300025568846	0	27	-1.0	-43.79	283.44	-1.80	-45.59
CCC(CC(F)(F)F)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568847	0	36	-1.0	-43.42	311.00	0.11	-43.31
O=C1N=C(CCNS(=O)(=O)CCCN2C=NN=N2)[N-]O1	REAL300025568848	0	32	-1.0	-52.63	299.26	-1.90	-54.53
O=C1N=C(CCNS(=O)(=O)C2=C3C=CC=NN3N=C2)[N-]O1	REAL300025568849	0	30	-1.0	-43.62	279.98	-2.94	-46.56
CC(C)(C)OC(=O)N[C@H]1C[C@@H](S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568850	0	45	-1.0	-47.02	376.64	-1.78	-48.80
O=C1N=C(CCNS(=O)(=O)CCC23CC4CC(CC(C4)C2)C3)[N-]O1	REAL300025568851	0	48	-1.0	-42.28	365.31	2.64	-39.64
N#CC(OCCS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025568852	0	36	-1.0	-48.12	334.00	-0.81	-48.93
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568853	0	38	-1.0	-44.16	336.50	0.40	-43.76
O=C1N=C(CCNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)[N-]O1	REAL300025568854	0	41	-1.0	-41.99	349.36	0.38	-41.61
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)[N-]O1	REAL300025568855	0	39	-1.0	-43.12	351.67	2.28	-40.84
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2CF)[N-]O1	REAL300025568856	0	31	-1.0	-44.71	282.92	0.50	-44.21
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568857	0	40	-1.0	-48.09	351.87	2.21	-45.88
O=C1N=C(CCNS(=O)(=O)C[C@@H]2CCC[C@H]2CF)[N-]O1	REAL300025568858	0	37	-1.0	-42.39	315.48	0.65	-41.74
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1Br	REAL300025568859	0	34	-1.0	-41.27	320.66	1.18	-40.09
CCN1N=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025568860	0	31	-1.0	-41.19	296.05	-2.02	-43.21
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CC=C2Br)[N-]O1	REAL300025568861	0	32	-1.0	-42.82	313.14	1.12	-41.70
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025568862	0	34	-1.0	-43.59	348.07	0.65	-42.94
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)[N-]O1	REAL300025568863	0	27	-2.0	-101.00	290.55	-0.04	-101.04
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568864	0	29	-2.0	-95.79	301.75	-1.67	-97.46
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568864	1	29	-2.0	-95.79	301.75	-1.67	-97.46
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)[N-]O1	REAL300025568865	0	33	-1.0	-47.76	319.44	0.61	-47.15
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)[N-]O1	REAL300025568866	0	33	-1.0	-45.80	316.13	0.42	-45.38
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568867	0	29	-2.0	-95.79	301.75	-1.67	-97.46
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568867	1	29	-2.0	-95.79	301.75	-1.67	-97.46
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025568868	0	37	-1.0	-45.49	321.64	2.32	-43.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568869	0	31	-2.0	-110.23	312.59	0.06	-110.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568869	1	31	-2.0	-110.23	312.59	0.06	-110.17
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCCF)C=C2)[N-]O1	REAL300025568870	0	35	-1.0	-43.76	320.90	-0.20	-43.96
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568871	0	42	-1.0	-44.94	367.56	0.94	-44.00
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025568872	0	27	-2.0	-96.91	288.25	-0.34	-97.25
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025568872	1	27	-2.0	-96.91	288.25	-0.34	-97.25
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025568873	0	34	-1.0	-53.06	326.58	-4.28	-57.34
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025568874	0	38	-1.0	-43.44	327.11	1.29	-42.15
O=C(NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=C1)C(F)(F)F	REAL300025568875	0	34	-1.0	-46.13	334.41	-3.18	-49.31
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=C(F)C=C2)[N-]O1	REAL300025568876	0	32	-1.0	-43.43	301.29	0.68	-42.75
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=CC(Br)=C2)[N-]O1	REAL300025568877	0	32	-1.0	-42.12	316.18	1.23	-40.89
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=C(Br)C=C2)[N-]O1	REAL300025568878	0	32	-1.0	-42.96	316.17	1.24	-41.72
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3CC3)S2)[N-]O1	REAL300025568879	0	32	-1.0	-43.56	306.79	0.75	-42.81
COC(=O)C1CCCCN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568880	0	39	-1.0	-43.57	325.05	0.09	-43.48
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568881	0	50	-1.0	-43.21	392.68	3.62	-39.59
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025568882	0	31	-1.0	-43.80	308.43	0.24	-43.56
COC1=CC=C(C=C(C)S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568883	0	39	-1.0	-44.01	336.95	0.43	-43.58
O=C1N=C(CCNS(=O)(=O)NCC2=CC=C(Cl)C=C2)[N-]O1	REAL300025568884	0	33	-1.0	-42.21	318.85	-0.81	-43.02
O=C1N=C(CCNS(=O)(=O)NCC2=CC=C(F)C=C2)[N-]O1	REAL300025568885	0	33	-1.0	-42.62	308.53	-1.27	-43.89
CC1=CC=C(CNS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568886	0	36	-1.0	-42.56	323.51	-0.65	-43.21
CCOC(=O)C(C)(C)CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568887	0	39	-1.0	-43.42	333.75	0.28	-43.14
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)C=NS2)[N-]O1	REAL300025568888	0	24	-1.0	-40.09	266.91	-2.16	-42.25
O=C1N=C(CCNS(=O)(=O)C2=C(Br)C=NS2)[N-]O1	REAL300025568888	1	24	-1.0	-40.09	266.91	-2.16	-42.25
O=C1N=C(CCNS(=O)(=O)C2CCC3CCC2OC3)[N-]O1	REAL300025568889	0	39	-1.0	-43.53	299.15	0.18	-43.35
O=C1N=C(CCNS(=O)(=O)NCC2=CC=C(Br)C=C2)[N-]O1	REAL300025568890	0	33	-1.0	-42.16	323.41	-0.71	-42.87
COC(=O)C=CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568891	0	38	-1.0	-44.77	349.64	1.33	-43.44
CC1=CC=CC(CNS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568892	0	36	-1.0	-42.47	323.51	-0.66	-43.13
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=NN1	REAL300025568893	0	33	-2.0	-91.52	319.65	-2.92	-94.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568893	1	33	-2.0	-91.46	319.75	-2.91	-94.37
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025568893	1	33	-2.0	-91.46	319.75	-2.91	-94.37
COC1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025568894	0	33	-1.0	-43.94	311.77	-2.70	-46.64
O=C1N=C(CCNS(=O)(=O)CC2CC3(CCCC3)CO2)[N-]O1	REAL300025568895	0	42	-1.0	-45.63	343.80	-0.20	-45.83
O=C1N=C(CCNS(=O)(=O)CC2CC2CC2=CC=CC=C2)[N-]O1	REAL300025568896	0	41	-1.0	-44.14	358.72	3.10	-41.04
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025568897	0	33	-2.0	-101.22	319.37	-2.43	-103.65
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025568897	1	33	-2.0	-101.22	319.37	-2.43	-103.65
C[C@@H](CS(=O)(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025568898	0	45	-1.0	-47.58	399.04	0.19	-47.39
O=C1N=C(CCNS(=O)(=O)C2CC3C(C2)C3(F)F)[N-]O1	REAL300025568899	0	32	-1.0	-45.63	289.81	-0.04	-45.67
O=C1N=C(CCNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)[N-]O1	REAL300025568900	0	40	-1.0	-41.36	323.03	-0.10	-41.46
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568901	0	39	-1.0	-41.76	343.15	1.33	-40.43
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568902	0	31	-2.0	-104.60	315.00	0.29	-104.31
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568902	1	31	-2.0	-104.60	315.00	0.29	-104.31
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)[N-]O1	REAL300025568903	0	32	-1.0	-43.64	311.75	0.20	-43.44
COC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568904	0	31	-2.0	-106.02	298.73	-1.37	-107.39
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568904	1	31	-2.0	-106.02	298.73	-1.37	-107.39
O=C1N=C(CCNS(=O)(=O)C2=CC=C(S(=O)(=O)F)C=C2)[N-]O1	REAL300025568905	0	31	-1.0	-45.80	308.34	-3.34	-49.14
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)[N-]O1	REAL300025568906	0	32	-1.0	-46.64	308.47	-0.92	-47.56
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568907	0	34	-1.0	-44.73	307.36	-0.63	-45.36
CN1C=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025568908	0	35	-1.0	-47.30	316.69	1.19	-46.11
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)[N-]O1	REAL300025568909	0	31	-1.0	-42.09	292.55	0.98	-41.11
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)[N-]O1	REAL300025568910	0	37	-1.0	-44.59	341.86	-0.08	-44.67
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025568911	0	24	-2.0	-91.48	285.81	-0.85	-92.33
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025568911	1	24	-2.0	-91.48	285.81	-0.85	-92.33
CN1N=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025568912	0	28	-1.0	-41.37	274.32	-2.88	-44.25
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568913	0	41	-1.0	-44.22	352.72	1.73	-42.49
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1N(C)C(=O)C2(C)C	REAL300025568914	0	45	-1.0	-44.81	381.39	1.33	-43.48
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)[N-]O1	REAL300025568915	0	31	-1.0	-46.37	319.23	0.85	-45.52
O=C(C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(F)F	REAL300025568916	0	33	-1.0	-44.14	314.42	0.07	-44.07
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568917	0	36	-1.0	-44.67	316.53	-1.09	-45.76
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)[N-]O1	REAL300025568918	0	39	-1.0	-43.19	351.66	2.28	-40.91
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568919	0	34	-1.0	-46.05	299.88	1.43	-44.62
COC(=O)C1=CNN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568920	0	30	-2.0	-115.97	291.72	-3.28	-119.25
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568920	1	30	-2.0	-115.97	291.72	-3.28	-119.25
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)[N-]O1	REAL300025568921	0	33	-1.0	-49.66	317.86	-1.99	-51.65
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025568922	0	30	-2.0	-104.38	283.41	-4.96	-109.34
CC1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025568922	1	30	-2.0	-104.38	283.41	-4.96	-109.34
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)[N-]O1	REAL300025568923	0	29	-1.0	-44.82	298.17	-1.70	-46.52
CC1=CC(Cl)=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568924	0	30	-1.0	-43.91	290.79	-1.15	-45.06
C=C(C)COC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568925	0	39	-1.0	-42.97	346.64	1.06	-41.91
CCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C2CC2)=N1	REAL300025568926	0	38	-1.0	-44.10	322.40	0.75	-43.35
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=NSN=C2C=C1	REAL300025568927	0	32	-1.0	-50.29	300.98	-1.19	-51.48
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)[N-]O1	REAL300025568928	0	34	-1.0	-43.07	325.61	2.21	-40.86
CC(=O)OC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568929	0	36	-1.0	-44.55	322.77	-1.38	-45.93
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)[N-]O1	REAL300025568930	0	38	-1.0	-43.21	353.90	3.36	-39.85
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(Cl)S1	REAL300025568931	0	31	-1.0	-42.42	318.52	0.45	-41.97
CC(C)(C)OC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568932	0	40	-1.0	-42.86	344.15	-0.33	-43.19
NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025568933	0	30	-1.0	-44.39	296.54	-1.98	-46.37
CCC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025568934	0	34	-1.0	-41.00	322.01	1.31	-39.69
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568935	0	41	-1.0	-42.71	349.74	0.62	-42.09
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CS2)[N-]O1	REAL300025568936	0	25	-1.0	-40.31	271.79	-1.05	-41.36
COCCC1=CC=C(OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568937	0	42	-1.0	-42.56	360.07	-0.23	-42.79
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)[N-]O1	REAL300025568938	0	34	-1.0	-45.34	310.32	1.74	-43.60
CN1N=C2CCOCC2=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568939	0	36	-1.0	-44.70	312.61	-2.84	-47.54
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C2CC2)[N-]O1	REAL300025568940	0	35	-1.0	-43.94	305.72	1.70	-42.24
CC1(C)CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568941	0	39	-1.0	-40.93	313.58	-0.60	-41.53
CC(=O)OCC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025568942	0	42	-1.0	-44.94	358.21	0.22	-44.72
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568943	0	42	-1.0	-50.11	371.35	0.12	-49.99
O=C1N=C(CCNS(=O)(=O)N2CCN(CC(F)F)CC2)[N-]O1	REAL300025568944	0	38	-1.0	-41.69	325.21	-2.80	-44.49
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025568945	0	34	-1.0	-42.98	305.08	-3.00	-45.98
COC1=NC=C(C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568946	0	34	-1.0	-43.98	302.80	-2.71	-46.69
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)[N-]O1	REAL300025568947	0	43	-1.0	-44.49	364.86	-0.19	-44.68
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568948	0	31	-1.0	-40.49	298.11	-2.85	-43.34
COC1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025568949	0	34	-1.0	-42.02	310.30	-3.15	-45.17
CC(C)CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025568950	0	37	-1.0	-42.53	330.37	-0.48	-43.01
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568951	0	37	-1.0	-44.33	326.60	-0.87	-45.20
O=C1N=C(CCNS(=O)(=O)C2=CSC(C(F)(F)F)=N2)[N-]O1	REAL300025568952	0	27	-1.0	-40.76	290.31	-2.59	-43.35
COCC1=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025568953	0	34	-1.0	-46.07	317.33	-2.68	-48.75
CC1=CC(NC(=O)OC(C)(C)C)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568954	0	48	-1.0	-48.98	399.62	0.56	-48.42
N#CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025568955	0	26	-1.0	-45.23	270.77	-1.38	-46.61
O=C1N=C(CCNS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)[N-]O1	REAL300025568956	0	31	-1.0	-52.87	312.45	-0.76	-53.63
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=C(Br)C=N2)[N-]O1	REAL300025568957	0	26	-1.0	-43.56	275.99	-2.76	-46.32
O=C1N=C(CCNS(=O)(=O)C2=NC=C(Br)C=N2)[N-]O1	REAL300025568957	1	26	-1.0	-43.56	275.99	-2.76	-46.32
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568958	0	32	-1.0	-53.09	311.42	-2.54	-55.63
CC1=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025568959	0	34	-1.0	-40.38	305.17	0.84	-39.54
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2Cl)[N-]O1	REAL300025568960	0	26	-2.0	-107.50	268.40	-2.18	-109.68
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2Cl)[N-]O1	REAL300025568960	1	26	-2.0	-107.50	268.40	-2.18	-109.68
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568961	0	32	-1.0	-40.03	304.80	-0.11	-40.14
COC1=CC=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568962	0	31	-1.0	-41.46	279.05	-2.61	-44.07
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)[N-]O1	REAL300025568963	0	30	-1.0	-44.22	298.10	-1.45	-45.67
COC1=NC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025568964	0	31	-1.0	-46.13	291.76	-3.77	-49.90
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568965	0	35	-1.0	-47.67	316.05	-2.42	-50.09
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)[N-]O1	REAL300025568966	0	32	-1.0	-41.05	325.84	1.55	-39.50
CC(C)(C)OC(=O)NC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025568967	0	44	-1.0	-46.54	381.44	-0.64	-47.18
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)[N-]O1	REAL300025568968	0	33	-1.0	-44.01	316.15	1.68	-42.33
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)[N-]O1	REAL300025568969	0	27	-1.0	-44.25	283.87	-1.72	-45.97
O=C1N=C(CCNS(=O)(=O)C2=NC=CC(Br)=C2F)[N-]O1	REAL300025568969	1	27	-1.0	-44.25	283.87	-1.72	-45.97
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025568970	0	39	-1.0	-46.76	335.38	-0.18	-46.94
CC(C)N1N=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568971	0	34	-1.0	-44.29	306.34	-1.47	-45.76
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CN=C12	REAL300025568972	0	36	-1.0	-45.52	319.22	0.72	-44.80
COC(=O)C1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025568973	0	36	-1.0	-42.82	329.76	-1.19	-44.01
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568974	0	31	-1.0	-45.59	301.18	1.31	-44.28
O=C1N=C(CCNS(=O)(=O)C2=CC=NN2CC2CC2)[N-]O1	REAL300025568975	0	35	-1.0	-42.39	310.56	-0.73	-43.12
O=C1N=C(CCNS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)[N-]O1	REAL300025568976	0	35	-1.0	-47.80	316.58	0.37	-47.43
COC1=NOC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568977	0	31	-1.0	-45.45	294.67	-4.28	-49.73
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)F)C=N2)[N-]O1	REAL300025568978	0	30	-1.0	-47.81	291.17	-1.65	-49.46
CC(C)N1C=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025568979	0	34	-1.0	-45.13	308.05	-1.65	-46.78
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025568980	0	45	-1.0	-46.75	330.55	4.00	-42.75
CC1=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025568981	0	34	-1.0	-43.14	326.24	1.34	-41.80
O=C1N=C(CCNS(=O)(=O)N2CCC3=CC=CN=C32)[N-]O1	REAL300025568982	0	33	-1.0	-45.45	298.09	-0.18	-45.63
CC(C)OC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025568983	0	38	-1.0	-41.17	348.29	0.84	-40.33
O=C(NCCC1=NC(=O)O[N-]1)N1CCC(C(F)(F)F)CC1	REAL300025568984	0	35	-1.0	-47.33	298.36	2.28	-45.05
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=NN1C(C)C	REAL300025568985	0	37	-1.0	-47.43	326.25	-0.77	-48.20
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)[N-]O1	REAL300025568986	0	35	-1.0	-44.76	322.85	1.63	-43.13
O=C1N=C(CCNS(=O)(=O)C2=CN=CC(C(F)F)=C2)[N-]O1	REAL300025568987	0	30	-1.0	-44.84	292.21	-1.46	-46.30
O=C1N=C(CCNS(=O)(=O)C2=CC(S(=O)(=O)F)=CS2)[N-]O1	REAL300025568988	0	28	-1.0	-45.34	302.38	-4.44	-49.78
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C=C2)[N-]O1	REAL300025568989	0	28	-1.0	-41.04	279.70	-0.05	-41.09
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=C1NCCC2	REAL300025568990	0	40	-1.0	-44.06	333.47	0.35	-43.71
CC(C)C1CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025568991	0	40	-1.0	-42.34	333.65	1.06	-41.28
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(C3OCCO3)=C2)[N-]O1	REAL300025568992	0	37	-1.0	-43.68	330.28	-0.93	-44.61
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025568993	0	42	-1.0	-43.31	372.57	3.00	-40.31
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)[N-]O1	REAL300025568994	0	35	-1.0	-43.99	324.47	1.67	-42.32
O=C1N=C(CCNS(=O)(=O)C2=CSC=C2Br)[N-]O1	REAL300025568995	0	25	-1.0	-42.57	260.01	-1.49	-44.06
O=C1N=C(CCNS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)[N-]O1	REAL300025568996	0	32	-1.0	-47.03	306.24	-0.43	-47.46
CC1=CC(Br)=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568997	0	30	-1.0	-43.91	295.39	-1.08	-44.99
O=C1N=C(CCNS(=O)(=O)C2=NC=CC3=CC=CC=C32)[N-]O1	REAL300025568998	0	33	-1.0	-49.20	299.57	-0.06	-49.26
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568999	0	37	-1.0	-48.15	330.01	1.29	-46.86
O=C1N=C(CCNS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)[N-]O1	REAL300025569000	0	39	-1.0	-44.57	347.19	3.55	-41.02
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)F)=CC=C2F)[N-]O1	REAL300025569001	0	31	-1.0	-47.19	295.42	0.12	-47.07
O=C1N=C(CCNS(=O)(=O)C2=CN=CC(Br)=C2)[N-]O1	REAL300025569002	0	27	-1.0	-41.37	279.29	-1.77	-43.14
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025569003	0	29	-2.0	-108.92	283.76	-1.35	-110.27
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025569003	1	29	-2.0	-108.92	283.76	-1.35	-110.27
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569004	0	36	-1.0	-48.76	320.64	-4.77	-53.53
O=C1N=C(CCNS(=O)(=O)N2CC3CCC(C2)O3)[N-]O1	REAL300025569005	0	35	-1.0	-41.36	294.41	-2.43	-43.79
N#CC1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025569006	0	34	-1.0	-46.83	299.35	-1.20	-48.03
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025569007	0	30	-1.0	-41.21	298.53	-1.35	-42.56
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)[N-]O1	REAL300025569008	0	27	-1.0	-42.59	291.03	-1.18	-43.77
O=C1N=C(CCNS(=O)(=O)C2=NC=C(Cl)C=C2Br)[N-]O1	REAL300025569008	1	27	-1.0	-42.59	291.03	-1.18	-43.77
O=C1N=C(CCNS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)[N-]O1	REAL300025569009	0	32	-1.0	-55.60	310.87	-1.31	-56.91
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=C(F)C=C2)[N-]O1	REAL300025569010	0	32	-1.0	-43.43	301.29	0.68	-42.75
O=C1N=C(CCNS(=O)(=O)C=CC2=CC=C(Cl)C=C2)[N-]O1	REAL300025569011	0	32	-1.0	-43.02	311.61	1.13	-41.89
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025569012	0	37	-1.0	-48.30	343.08	-0.99	-49.29
COC1=CC=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025569013	0	31	-1.0	-45.96	288.54	-3.15	-49.11
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)[N-]O1	REAL300025569014	0	35	-1.0	-46.17	317.82	1.83	-44.34
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025569015	0	31	-1.0	-45.42	298.59	0.55	-44.87
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)[N-]O1	REAL300025569016	0	32	-1.0	-42.44	307.23	-1.02	-43.46
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=C1	REAL300025569017	0	35	-1.0	-41.72	313.48	0.08	-41.64
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)OC	REAL300025569018	0	41	-1.0	-44.85	366.91	1.05	-43.80
COC(=O)C1CC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025569019	0	41	-1.0	-46.94	362.34	1.95	-44.99
COC(=O)C1=CC=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569020	0	33	-1.0	-45.54	302.60	-0.86	-46.40
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025569021	0	31	-1.0	-46.46	288.40	-3.21	-49.67
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569022	0	34	-1.0	-39.93	320.23	-2.39	-42.32
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569023	0	33	-2.0	-102.88	328.48	1.20	-101.68
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025569023	1	33	-2.0	-102.88	328.48	1.20	-101.68
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569024	0	33	-2.0	-119.35	313.42	0.66	-118.69
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025569024	1	33	-2.0	-119.35	313.42	0.66	-118.69
O=C1N=C(CCNS(=O)(=O)C2=CC=NC3=CC=CC=C32)[N-]O1	REAL300025569025	0	33	-1.0	-45.14	299.59	-0.13	-45.27
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2I)[N-]O1	REAL300025569026	0	28	-1.0	-41.53	284.29	0.70	-40.83
CCOC1=CC=CN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569027	0	34	-1.0	-46.47	307.87	-1.28	-47.75
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025569028	0	39	-1.0	-47.41	359.59	0.44	-46.97
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL300025569029	0	36	-1.0	-47.38	312.93	1.09	-46.29
O=C1N=C(CCNS(=O)(=O)N2CC=C(Br)CC2)[N-]O1	REAL300025569030	0	31	-1.0	-40.48	294.43	-0.85	-41.33
NC1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025569031	0	30	-1.0	-43.92	299.35	-2.07	-45.99
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025569032	0	41	-1.0	-41.54	340.37	2.29	-39.25
CC1=CC(Cl)=CN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569033	0	30	-1.0	-45.08	290.78	-1.12	-46.20
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2C(F)F)[N-]O1	REAL300025569034	0	30	-1.0	-51.57	280.18	-1.08	-52.65
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(Cl)S1	REAL300025569035	0	28	-1.0	-42.62	288.74	-0.14	-42.76
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)F)=CC=N2)[N-]O1	REAL300025569036	0	30	-1.0	-43.99	291.30	-1.59	-45.58
O=C1N=C(CCNS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)[N-]O1	REAL300025569037	0	35	-1.0	-47.85	328.50	0.06	-47.79
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3OCCO3)C=C2F)[N-]O1	REAL300025569038	0	37	-1.0	-46.77	328.59	-1.17	-47.94
O=C1N=C(CCNS(=O)(=O)C2=C3CCCCN3N=C2)[N-]O1	REAL300025569039	0	35	-1.0	-47.29	307.11	-1.21	-48.50
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569040	0	34	-1.0	-43.87	311.17	0.38	-43.49
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2Cl)[N-]O1	REAL300025569041	0	25	-1.0	-40.00	259.30	-0.52	-40.52
O=C1N=C(CNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)[N-]O1	REAL300025569042	0	28	-1.0	-41.72	279.62	-0.08	-41.80
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)[N-]O1	REAL300025569043	0	28	-1.0	-44.97	265.86	0.47	-44.50
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)[N-]O1	REAL300025569044	0	28	-1.0	-40.10	281.32	-0.03	-40.13
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(Cl)=C2)[N-]O1	REAL300025569045	0	25	-1.0	-39.12	263.50	-0.51	-39.63
COC(=O)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569046	0	31	-1.0	-49.00	285.03	0.42	-48.58
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569047	0	34	-1.0	-41.75	317.54	0.51	-41.24
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2Cl)[N-]O1	REAL300025569048	0	25	-1.0	-41.76	257.74	-0.57	-42.33
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569049	0	31	-1.0	-45.26	296.41	-0.34	-45.60
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569050	0	37	-1.0	-40.85	317.11	1.23	-39.62
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569051	0	42	-1.0	-45.02	377.64	-1.37	-46.39
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569052	0	36	-1.0	-44.31	336.51	-3.08	-47.39
CC(=O)NCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569053	0	35	-1.0	-45.68	323.10	-2.06	-47.74
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC=C2Cl)[N-]O1	REAL300025569054	0	25	-1.0	-42.43	263.13	0.17	-42.26
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=C2Cl)[N-]O1	REAL300025569055	0	25	-1.0	-38.98	263.86	-0.42	-39.40
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569056	0	29	-1.0	-42.13	290.81	-1.11	-43.24
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569057	0	36	-1.0	-46.95	317.74	-2.37	-49.32
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025569058	0	24	-2.0	-100.34	257.69	-1.58	-101.92
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025569058	1	24	-2.0	-100.34	257.69	-1.58	-101.92
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)[N-]O1	REAL300025569059	0	25	-1.0	-38.33	274.35	-0.05	-38.38
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)[N-]O1	REAL300025569060	0	31	-1.0	-38.61	318.37	0.91	-37.70
CCOC(=O)C1CCCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569061	0	39	-1.0	-43.86	335.46	-0.36	-44.22
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)[N-]O1	REAL300025569062	0	33	-1.0	-41.56	295.35	1.32	-40.24
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025569063	0	31	-1.0	-38.89	299.26	1.36	-37.53
O=C1N=C(CNS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)[N-]O1	REAL300025569064	0	37	-1.0	-47.92	349.91	-3.23	-51.15
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=C2)[N-]O1	REAL300025569065	0	25	-1.0	-39.52	262.20	-0.47	-39.99
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)[N-]O1	REAL300025569066	0	27	-1.0	-40.70	269.12	-0.41	-41.11
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)[N-]O1	REAL300025569067	0	31	-1.0	-42.52	286.85	1.20	-41.32
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569068	0	32	-1.0	-48.23	296.70	-2.17	-50.40
O=C1N=C(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025569069	0	27	-1.0	-44.84	269.12	-0.41	-45.25
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569070	0	30	-1.0	-42.35	283.83	0.50	-41.85
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569071	0	27	-1.0	-51.06	258.42	0.40	-50.66
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569072	0	32	-1.0	-42.20	304.57	0.29	-41.91
CC1=CC(C)=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569073	0	37	-1.0	-40.16	301.46	1.48	-38.68
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)[N-]O1	REAL300025569074	0	31	-1.0	-42.92	285.39	-1.93	-44.85
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)OC)=C1	REAL300025569075	0	37	-1.0	-44.87	350.42	0.21	-44.66
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Br)=C2)[N-]O1	REAL300025569076	0	25	-1.0	-41.05	262.19	-0.46	-41.51
O=C1N=C(CNS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)[N-]O1	REAL300025569077	0	27	-2.0	-83.64	274.36	-1.37	-85.01
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2F)[N-]O1	REAL300025569078	0	25	-1.0	-39.74	255.85	-0.83	-40.57
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025569079	0	28	-1.0	-41.34	282.51	1.02	-40.32
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025569080	0	28	-1.0	-39.46	280.39	0.10	-39.36
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025569081	0	39	-1.0	-41.71	351.01	2.45	-39.26
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2Br)[N-]O1	REAL300025569082	0	25	-1.0	-42.71	257.38	-0.35	-43.06
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)[N-]O1	REAL300025569083	0	29	-1.0	-39.76	286.88	-1.29	-41.05
CC1=C(C)C(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C	REAL300025569084	0	40	-1.0	-40.78	314.76	1.93	-38.85
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)[N-]O1	REAL300025569085	0	34	-1.0	-42.80	303.73	-1.14	-43.94
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569086	0	30	-1.0	-44.80	285.12	0.11	-44.69
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)S2)[N-]O1	REAL300025569087	0	22	-1.0	-38.68	254.49	-1.35	-40.03
COC1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569088	0	29	-1.0	-42.31	282.71	-0.63	-42.94
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569089	0	43	-1.0	-39.87	343.22	2.72	-37.15
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)[N-]O1	REAL300025569090	0	41	-1.0	-40.59	342.77	2.72	-37.87
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)[N-]O1	REAL300025569091	0	28	-1.0	-39.67	279.65	-0.08	-39.75
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)[N-]O1	REAL300025569092	0	35	-1.0	-41.54	303.63	1.40	-40.14
COC1=CC=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569093	0	33	-1.0	-44.91	290.89	-1.97	-46.88
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025569094	0	33	-1.0	-43.20	299.63	-1.88	-45.08
O=C(NCC(F)(F)F)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569095	0	35	-1.0	-43.53	338.15	-1.50	-45.03
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569096	0	41	-1.0	-47.30	355.76	-0.15	-47.45
CC(=O)NCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569097	0	32	-1.0	-44.87	315.51	-2.92	-47.79
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569098	0	29	-1.0	-40.94	278.10	-0.74	-41.68
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1NC(C)=O	REAL300025569099	0	36	-1.0	-50.54	324.98	-2.76	-53.30
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025569100	0	27	-1.0	-46.04	275.05	0.92	-45.12
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569101	0	35	-1.0	-44.60	312.43	-1.40	-46.00
O=C1N=C(CNS(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025569102	0	21	-2.0	-96.12	262.46	-1.60	-97.72
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025569102	1	21	-2.0	-96.12	262.46	-1.60	-97.72
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569103	0	30	-1.0	-43.22	278.19	0.32	-42.90
CC(C)CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569104	0	40	-1.0	-40.98	344.36	2.43	-38.55
CC1=CC=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569105	0	28	-1.0	-39.37	277.74	0.35	-39.02
CSC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569106	0	29	-1.0	-41.16	281.09	-0.06	-41.22
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)[N-]O1	REAL300025569107	0	32	-1.0	-43.05	311.82	-0.39	-43.44
COC1=CC(Br)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025569108	0	33	-1.0	-41.51	316.03	-1.12	-42.63
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)[N-]O1	REAL300025569109	0	33	-1.0	-44.05	300.72	-1.90	-45.95
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025569110	0	30	-2.0	-109.49	286.17	-2.75	-112.24
CN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025569110	1	30	-2.0	-109.49	286.17	-2.75	-112.24
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025569111	0	39	-1.0	-42.32	343.34	-0.04	-42.36
O=C1N=C(CNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)[N-]O1	REAL300025569112	0	30	-1.0	-47.38	289.16	-0.90	-48.28
CCC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569113	0	35	-1.0	-48.11	317.29	-1.37	-49.48
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569114	0	33	-1.0	-41.42	300.84	1.02	-40.40
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569115	0	34	-1.0	-46.58	312.71	0.63	-45.95
CNC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569116	0	32	-1.0	-45.35	297.34	-2.80	-48.15
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569117	0	30	-1.0	-46.71	295.13	-6.13	-52.84
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)[N-]O1	REAL300025569118	0	29	-1.0	-42.18	296.18	-0.95	-43.13
O=C1N=C(CNS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)[N-]O1	REAL300025569119	0	36	-1.0	-47.75	318.71	0.04	-47.71
CC(=O)N1CCCC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569120	0	39	-1.0	-49.69	332.79	0.51	-49.18
CC(=O)NC1=CC=C(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025569121	0	42	-1.0	-49.12	371.11	1.23	-47.89
CC(=O)N1CCC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569122	0	36	-1.0	-48.74	320.15	-0.03	-48.77
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569123	0	37	-1.0	-49.50	339.68	1.09	-48.41
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL300025569124	0	28	-1.0	-47.31	279.77	-0.68	-47.99
COCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569125	0	35	-1.0	-41.48	317.47	-0.57	-42.05
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025569126	0	35	-1.0	-40.44	296.46	-0.30	-40.74
COCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569127	0	39	-1.0	-43.41	345.94	-0.85	-44.26
COC(=O)C1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569128	0	36	-1.0	-45.40	311.75	-1.37	-46.77
O=C1N=C(CNS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)[N-]O1	REAL300025569129	0	36	-1.0	-42.76	325.12	3.04	-39.72
CC(C)CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569130	0	37	-1.0	-40.98	322.10	1.60	-39.38
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)[N-]O1	REAL300025569131	0	31	-1.0	-42.50	293.21	-3.81	-46.31
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)[N-]O1	REAL300025569132	0	25	-1.0	-38.91	272.83	-0.10	-39.01
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)[N-]O1	REAL300025569133	0	28	-1.0	-39.34	292.80	0.34	-39.00
CCC(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569134	0	37	-1.0	-40.85	319.58	1.51	-39.34
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569135	0	31	-1.0	-42.06	295.68	-0.42	-42.48
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569136	0	40	-1.0	-40.70	331.81	2.15	-38.55
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)[N-]O1	REAL300025569137	0	28	-1.0	-44.36	272.65	-3.58	-47.94
CC(=O)N1C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2CC1C	REAL300025569138	0	39	-1.0	-44.29	335.54	0.47	-43.82
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569139	0	30	-2.0	-118.13	292.44	-3.17	-121.30
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025569139	1	30	-2.0	-118.13	292.44	-3.17	-121.30
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025569140	0	31	-1.0	-48.72	287.79	-0.30	-49.02
O=C1N=C(CNS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)[N-]O1	REAL300025569141	0	30	-1.0	-47.04	292.87	0.30	-46.74
CC1=CC2=CC=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=C2N=C1	REAL300025569142	0	33	-1.0	-47.85	294.46	0.67	-47.18
CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569143	0	35	-1.0	-41.11	313.73	-0.06	-41.17
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025569144	0	28	-1.0	-41.88	263.98	-0.37	-42.25
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)[N-]O1	REAL300025569145	0	29	-1.0	-42.09	277.88	-0.77	-42.86
COC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569146	0	31	-1.0	-46.24	295.68	-0.43	-46.67
CN1C(=O)C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025569147	0	32	-1.0	-42.77	306.53	-1.82	-44.59
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)[N-]O1	REAL300025569148	0	31	-1.0	-43.94	291.64	-3.84	-47.78
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569149	0	30	-1.0	-48.77	295.08	-6.12	-54.89
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)[N-]O1	REAL300025569150	0	31	-1.0	-47.02	297.46	-4.09	-51.11
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569151	0	31	-1.0	-48.84	301.59	-3.56	-52.40
O=C1N=C(CNS(=O)(=O)N2CCC3=CC=CC=C3C2)[N-]O1	REAL300025569152	0	34	-1.0	-41.04	293.54	0.07	-40.97
O=C1N=C(CNS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)[N-]O1	REAL300025569153	0	30	-1.0	-45.07	288.57	0.41	-44.66
O=C1N=C(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)[N-]O1	REAL300025569154	0	29	-1.0	-40.50	286.89	-1.29	-41.79
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C12	REAL300025569155	0	33	-1.0	-43.17	297.15	0.21	-42.96
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569156	0	29	-1.0	-38.73	304.25	-0.04	-38.77
CN1C(=O)OC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569157	0	31	-1.0	-45.31	295.02	-1.13	-46.44
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)[N-]O1	REAL300025569158	0	31	-1.0	-46.14	296.40	-4.70	-50.84
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569159	0	33	-1.0	-42.07	306.64	0.40	-41.67
O=C1N=C(CNS(=O)(=O)C2=CC=C(I)C=C2)[N-]O1	REAL300025569160	0	25	-1.0	-39.33	268.69	0.01	-39.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569161	0	33	-1.0	-45.88	317.50	-4.91	-50.79
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569162	0	31	-1.0	-48.98	301.60	-3.56	-52.54
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)[N-]O1	REAL300025569163	0	35	-1.0	-40.61	296.59	2.02	-38.59
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C=C2Cl)[N-]O1	REAL300025569164	0	25	-1.0	-39.16	248.96	-0.97	-40.13
O=C(C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1)N1CCCC1	REAL300025569165	0	37	-1.0	-51.44	326.82	-1.75	-53.19
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569166	0	32	-1.0	-46.55	295.43	-2.45	-49.00
O=C1N=C(CNS(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)[N-]O1	REAL300025569167	0	34	-1.0	-44.08	315.11	1.62	-42.46
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569168	0	36	-1.0	-47.50	336.50	-3.08	-50.58
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025569169	0	33	-1.0	-42.07	297.90	-2.13	-44.20
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025569170	0	36	-1.0	-41.83	315.14	-1.09	-42.92
COCCN(CCOC)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569171	0	37	-1.0	-40.02	314.70	-3.89	-43.91
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025569172	0	28	-1.0	-42.15	278.79	0.32	-41.83
O=C1N=C(CNS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)[N-]O1	REAL300025569173	0	37	-1.0	-44.45	349.92	-3.23	-47.68
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(N)=O	REAL300025569174	0	30	-1.0	-45.52	283.15	-4.94	-50.46
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569175	0	31	-1.0	-44.05	297.29	-0.38	-44.43
CCOC(=O)C1CCCN1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569176	0	36	-1.0	-47.63	316.51	-0.34	-47.97
COCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569177	0	36	-1.0	-43.47	325.86	-1.59	-45.06
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569178	0	31	-1.0	-49.30	303.28	-3.51	-52.81
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569179	0	29	-1.0	-42.19	286.42	-1.22	-43.41
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569180	0	29	-1.0	-42.93	276.61	-1.71	-44.64
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569181	0	35	-1.0	-41.44	312.32	-0.11	-41.55
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(N)=O	REAL300025569182	0	32	-1.0	-42.76	291.49	-3.62	-46.38
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(N)=O	REAL300025569183	0	33	-1.0	-46.08	302.71	-3.70	-49.78
CC(C)OC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025569184	0	41	-1.0	-43.17	349.92	2.17	-41.00
O=C(C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1)N1CCOCC1	REAL300025569185	0	40	-1.0	-45.41	345.58	-1.64	-47.05
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569186	0	30	-1.0	-39.47	283.85	0.48	-38.99
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)[N-]O1	REAL300025569187	0	33	-1.0	-44.83	302.35	-1.85	-46.68
CNC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025569188	0	33	-1.0	-45.65	305.08	-3.45	-49.10
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569189	0	28	-1.0	-39.41	273.17	0.25	-39.16
CC(C)COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569190	0	38	-1.0	-41.05	333.84	0.64	-40.41
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)[N-]O1	REAL300025569191	0	36	-1.0	-44.15	316.47	-0.95	-45.10
COC1=C(C)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569192	0	35	-1.0	-41.19	314.48	-0.20	-41.39
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569193	0	26	-1.0	-41.52	277.11	-0.28	-41.80
N#CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025569194	0	26	-1.0	-41.25	277.13	-0.28	-41.53
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C1(C)NC(=O)NC1=O	REAL300025569195	0	41	-1.0	-46.17	360.68	-3.44	-49.61
O=C1N=C(CNS(=O)(=O)C2=CC=C3COC(=O)C3=C2)[N-]O1	REAL300025569196	0	29	-1.0	-48.13	279.27	-0.71	-48.84
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C12	REAL300025569197	0	34	-1.0	-44.78	306.17	-1.26	-46.04
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569198	0	28	-1.0	-40.42	276.37	0.02	-40.40
O=C1N=C(CNS(=O)(=O)C2=CC=CC(Cl)=C2F)[N-]O1	REAL300025569199	0	25	-1.0	-42.52	255.35	-0.84	-43.36
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025569200	0	38	-1.0	-41.35	330.24	0.51	-40.84
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569201	0	31	-1.0	-40.73	289.64	-0.59	-41.32
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025569202	0	35	-1.0	-43.77	310.25	0.61	-43.16
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025569203	0	24	-2.0	-97.67	279.92	0.05	-97.62
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025569203	1	24	-2.0	-97.67	279.92	0.05	-97.62
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569204	0	28	-1.0	-38.95	272.35	0.33	-38.62
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C=C2Br)[N-]O1	REAL300025569205	0	25	-1.0	-39.75	263.78	-0.28	-40.03
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569206	0	30	-1.0	-50.44	273.32	1.28	-49.16
O=C1N=C(CNS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)[N-]O1	REAL300025569207	0	33	-1.0	-44.34	298.95	-2.15	-46.49
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569208	0	35	-1.0	-50.93	313.04	-1.23	-52.16
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)[N-]O1	REAL300025569209	0	39	-1.0	-40.93	335.54	1.14	-39.79
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569210	0	33	-1.0	-47.73	294.46	0.69	-47.04
CC(C)CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569211	0	41	-1.0	-40.89	352.80	1.25	-39.64
COC(=O)COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569212	0	35	-1.0	-46.90	326.74	-0.16	-47.06
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)[N-]O1	REAL300025569213	0	45	-1.0	-40.92	375.47	2.54	-38.38
CC1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025569214	0	28	-1.0	-42.33	281.63	0.73	-41.60
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569215	0	34	-1.0	-48.19	316.31	-2.65	-50.84
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=CN=CC=C32)[N-]O1	REAL300025569216	0	30	-1.0	-45.76	277.23	-0.53	-46.29
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)[N-]O1	REAL300025569217	0	27	-1.0	-39.03	270.79	-0.36	-39.39
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL300025569218	0	33	-1.0	-41.76	286.85	0.10	-41.66
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569219	0	38	-1.0	-44.32	347.70	-0.01	-44.33
O=C1N=C(CNS(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025569220	0	21	-2.0	-101.07	251.90	-2.19	-103.26
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025569220	1	21	-2.0	-101.07	251.90	-2.19	-103.26
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569221	0	44	-1.0	-42.80	359.51	-1.25	-44.05
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025569222	0	23	-2.0	-97.05	269.20	-2.44	-99.49
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025569222	1	23	-2.0	-97.05	269.20	-2.44	-99.49
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569223	0	39	-1.0	-47.57	343.32	-2.25	-49.82
O=C1N=C(CNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)[N-]O1	REAL300025569224	0	35	-1.0	-42.30	315.08	2.33	-39.97
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)[N-]O1	REAL300025569225	0	27	-1.0	-39.87	285.31	0.04	-39.83
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569226	0	36	-1.0	-50.04	331.65	-1.42	-51.46
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569227	0	35	-1.0	-40.93	305.13	-0.14	-41.07
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569228	0	36	-1.0	-48.81	328.95	-1.11	-49.92
O=C1N=C(CNS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025569229	0	26	-2.0	-113.94	272.93	-0.36	-114.30
O=C1N=C(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025569229	1	26	-2.0	-113.94	272.93	-0.36	-114.30
O=C(NCC(F)(F)F)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569230	0	35	-1.0	-47.85	338.15	-1.51	-49.36
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569231	0	34	-1.0	-46.24	320.75	-2.59	-48.83
O=C1N=C(CNS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)[N-]O1	REAL300025569232	0	28	-1.0	-44.57	280.40	-0.18	-44.75
CCOC(=O)N1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569233	0	38	-1.0	-43.25	328.83	-2.23	-45.48
CC1(C)C2CCC1(CS(=O)(=O)NCC1=NC(=O)O[N-]1)C(=O)C2	REAL300025569234	0	40	-1.0	-50.43	317.78	1.37	-49.06
O=C1N=C(CNS(=O)(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)[N-]O1	REAL300025569235	0	41	0.0	-68.91	345.69	1.94	-66.97
O=C1N=C(CNS(=O)(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)[N-]O1	REAL300025569235	1	40	-1.0	-43.33	326.95	-1.38	-44.71
O=C1N=C(CNS(=O)(=O)C2CCN(CC3=CC=CC=C3)C2)[N-]O1	REAL300025569235	1	40	-1.0	-43.33	326.95	-1.38	-44.71
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569236	0	26	-2.0	-109.08	279.43	0.46	-108.62
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569236	1	26	-2.0	-109.08	279.43	0.46	-108.62
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569237	0	28	-1.0	-40.78	288.76	-1.32	-42.10
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569238	0	31	-1.0	-43.75	312.10	0.31	-43.44
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569239	0	33	-1.0	-49.04	296.87	1.61	-47.43
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2COC3=O)[N-]O1	REAL300025569240	0	29	-1.0	-43.30	278.74	-0.74	-44.04
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)[N-]O1	REAL300025569241	0	25	-1.0	-40.18	255.80	-0.74	-40.92
O=C1N=C(CNS(=O)(=O)C2=C(F)C=C(F)C=C2F)[N-]O1	REAL300025569241	1	25	-1.0	-40.18	255.80	-0.74	-40.92
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569242	0	35	-1.0	-48.45	337.01	-2.16	-50.61
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569243	0	47	-1.0	-40.05	375.58	1.74	-38.31
CC(=O)NC(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569244	0	35	-1.0	-43.49	334.39	-2.10	-45.59
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025569245	0	31	-1.0	-41.91	311.96	0.05	-41.86
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569246	0	31	-1.0	-44.78	293.90	-0.69	-45.47
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569247	0	35	-1.0	-43.75	304.69	0.33	-43.42
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)[N-]O1	REAL300025569248	0	28	-1.0	-39.70	285.22	-0.02	-39.72
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569249	0	41	-1.0	-45.19	353.12	0.69	-44.50
CCCCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569250	0	41	-1.0	-41.05	356.74	1.50	-39.55
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569251	0	26	-2.0	-115.76	273.30	0.48	-115.28
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569251	1	26	-2.0	-115.76	273.30	0.48	-115.28
O=C(NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=C(F)C=C1	REAL300025569252	0	39	-1.0	-46.63	359.10	1.00	-45.63
O=C1N=C(CNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)[N-]O1	REAL300025569253	0	30	-1.0	-53.04	289.19	-0.90	-53.94
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025569254	0	38	-1.0	-43.35	332.09	1.55	-41.80
O=C1N=C(CNS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)[N-]O1	REAL300025569255	0	29	-1.0	-40.03	297.28	0.38	-39.65
O=C1N=C(CNS(=O)(=O)C2=CN=CC(Br)=C2)[N-]O1	REAL300025569256	0	24	-1.0	-39.26	257.22	-2.28	-41.54
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569257	0	33	-1.0	-48.74	317.97	-4.46	-53.20
CCOCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569258	0	39	-1.0	-43.42	347.73	-0.62	-44.04
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569259	0	32	-2.0	-86.49	309.39	-4.53	-91.02
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569259	1	32	-2.0	-86.49	309.39	-4.53	-91.02
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569260	0	27	-1.0	-51.35	266.29	0.62	-50.73
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569260	1	27	-1.0	-51.35	266.29	0.62	-50.73
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569261	0	41	-1.0	-51.15	377.34	-2.41	-53.56
O=C1N=C(CNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)[N-]O1	REAL300025569262	0	32	-1.0	-43.91	301.46	0.04	-43.87
O=C1N=C(CNS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)[N-]O1	REAL300025569263	0	35	-1.0	-44.13	326.88	0.48	-43.65
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)[N-]O1	REAL300025569264	0	39	-1.0	-42.56	352.15	2.20	-40.36
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC=C2F)[N-]O1	REAL300025569265	0	25	-1.0	-40.50	260.46	-0.71	-41.21
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025569266	0	31	-1.0	-40.80	295.33	0.44	-40.36
COC(=O)C1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569267	0	28	-1.0	-43.81	288.95	-1.41	-45.22
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569268	0	33	-1.0	-42.04	300.82	1.35	-40.69
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569269	0	35	-1.0	-45.25	321.14	-0.17	-45.42
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)[N-]O1	REAL300025569270	0	37	-1.0	-43.85	334.61	0.90	-42.95
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=NC=CC=C23)[N-]O1	REAL300025569271	0	30	-1.0	-43.14	277.04	-0.62	-43.76
O=C1N=C(CNS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)[N-]O1	REAL300025569272	0	31	-1.0	-42.59	311.05	-0.16	-42.75
O=C1N=C(CNS(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)[N-]O1	REAL300025569273	0	31	-1.0	-42.23	301.83	-1.18	-43.41
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)N=C2Cl)[N-]O1	REAL300025569274	0	24	-1.0	-40.09	254.57	-2.48	-42.57
CC1=NOC2=NC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025569275	0	29	-1.0	-44.12	280.65	-4.10	-48.22
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569276	0	28	-2.0	-107.65	277.58	-2.18	-109.83
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569276	1	28	-2.0	-107.65	277.58	-2.18	-109.83
O=C1N=C(CNS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)[N-]O1	REAL300025569277	0	31	-1.0	-45.43	303.71	0.65	-44.78
O=C1N=C(CNS(=O)(=O)C2=CC=C(CCCCl)C=C2)[N-]O1	REAL300025569278	0	34	-1.0	-43.32	322.45	1.76	-41.56
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Br)C=C2F)[N-]O1	REAL300025569279	0	28	-1.0	-44.01	291.27	0.29	-43.72
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2Cl)[N-]O1	REAL300025569280	0	28	-1.0	-45.03	278.05	0.08	-44.95
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CN=C2S1	REAL300025569281	0	39	-1.0	-41.60	365.32	0.54	-41.06
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569282	0	31	-1.0	-45.63	301.77	0.94	-44.69
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Cl)N=C2)[N-]O1	REAL300025569283	0	27	-1.0	-46.51	276.36	-1.73	-48.24
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569284	0	26	-2.0	-109.33	274.86	0.36	-108.97
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569284	1	26	-2.0	-109.33	274.86	0.36	-108.97
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)[N-]O1	REAL300025569285	0	31	-1.0	-45.86	289.35	0.74	-45.12
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025569286	0	35	-1.0	-40.89	306.96	0.03	-40.86
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025569287	0	33	-1.0	-43.28	307.21	-1.36	-44.64
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)[N-]O1	REAL300025569288	0	28	-1.0	-44.48	296.57	0.60	-43.88
COC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=C(Cl)N=C2C=C1	REAL300025569289	0	34	-1.0	-43.93	319.97	0.15	-43.78
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2OC(F)F)[N-]O1	REAL300025569290	0	29	-1.0	-42.78	271.18	-0.99	-43.77
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)[N-]O1	REAL300025569291	0	31	-1.0	-43.41	275.40	-1.52	-44.93
CCOC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569292	0	34	-1.0	-45.99	317.55	0.50	-45.49
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569293	0	37	-1.0	-41.50	339.04	1.30	-40.20
O=C1N=C(CNS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)[N-]O1	REAL300025569294	0	38	-1.0	-48.84	361.99	1.10	-47.74
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC=C2Cl)[N-]O1	REAL300025569295	0	25	-1.0	-39.83	263.86	-0.41	-40.24
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025569296	0	33	-1.0	-42.89	310.57	-3.67	-46.56
O=C1N=C(CNS(=O)(=O)CC2=CC=C(F)C=C2Br)[N-]O1	REAL300025569297	0	28	-1.0	-42.66	287.76	0.26	-42.40
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569298	0	31	-1.0	-45.88	291.44	0.49	-45.39
O=C1N=C(CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[N-]O1	REAL300025569299	0	33	-1.0	-47.41	302.89	-0.43	-47.84
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)[N-]O1	REAL300025569300	0	28	-1.0	-40.84	277.91	-0.33	-41.17
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025569301	0	24	-2.0	-96.71	272.08	-1.04	-97.75
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025569301	1	24	-2.0	-96.71	272.08	-1.04	-97.75
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)[N-]O1	REAL300025569302	0	28	-1.0	-41.54	272.18	0.57	-40.97
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Cl)N=C2)[N-]O1	REAL300025569303	0	27	-1.0	-46.51	276.36	-1.73	-48.24
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025569304	0	34	-1.0	-42.34	322.10	0.52	-41.82
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2Cl)[N-]O1	REAL300025569305	0	25	-1.0	-40.22	248.96	-0.97	-41.19
O=C1N=C(CNS(=O)(=O)C2=C(Cl)N=C3SC=CN32)[N-]O1	REAL300025569306	0	25	-1.0	-42.81	272.96	-0.98	-43.79
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025569307	0	26	-2.0	-107.11	279.42	0.46	-106.65
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025569307	1	26	-2.0	-107.11	279.42	0.46	-106.65
COC(=O)C1=CC=CC(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569308	0	34	-1.0	-49.33	319.46	0.29	-49.04
CC1=NC(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)=CO1	REAL300025569309	0	34	-1.0	-46.07	317.29	-2.01	-48.08
CC1CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025569310	0	33	-1.0	-41.69	297.81	-0.50	-42.19
O=C1N=C(CNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)[N-]O1	REAL300025569311	0	28	-1.0	-43.88	291.61	0.54	-43.34
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2S1	REAL300025569312	0	34	-1.0	-46.30	320.72	1.91	-44.39
O=C1N=C(CNS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)[N-]O1	REAL300025569313	0	40	-1.0	-46.53	362.83	-1.95	-48.48
O=C(OCC1=CC=CC=C1)N1CC[C@@H](S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569314	0	43	-1.0	-50.29	380.88	1.04	-49.25
O=C(OCC1=CC=CC=C1)N1CC[C@H](S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569315	0	43	-1.0	-47.85	374.18	0.68	-47.17
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569316	0	32	-1.0	-44.83	309.35	-1.82	-46.65
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569317	0	44	-1.0	-50.60	338.56	2.47	-48.13
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)[N-]O1	REAL300025569318	0	36	-1.0	-43.34	346.44	2.31	-41.03
COC1=CC(Cl)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569319	0	29	-1.0	-39.92	288.11	-1.17	-41.09
CC1=CC=C(N2C=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025569320	0	35	-1.0	-43.91	322.86	0.70	-43.21
O=C(OCC1=CC=CC=C1)N1CCCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569321	0	46	-1.0	-48.73	396.29	1.90	-46.83
O=C(OCC1=CC=CC=C1)N1CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569322	0	40	-1.0	-46.51	364.28	0.15	-46.36
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025569323	0	27	-2.0	-99.25	279.13	-2.97	-102.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL300025569323	1	27	-2.0	-99.25	279.13	-2.97	-102.22
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=CC=CN=C32)[N-]O1	REAL300025569324	0	30	-1.0	-48.30	273.06	0.03	-48.27
O=C1N=C(CNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)[N-]O1	REAL300025569325	0	31	-1.0	-43.38	304.65	-0.23	-43.61
O=C1N=C(CNS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)[N-]O1	REAL300025569326	0	31	-1.0	-42.31	321.37	0.29	-42.02
O=C1N=C(CNS(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025569327	0	24	-2.0	-95.88	257.78	-1.58	-97.46
O=C1N=C(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025569327	1	24	-2.0	-95.88	257.78	-1.58	-97.46
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569328	0	37	-1.0	-45.84	328.19	-2.11	-47.95
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569329	0	34	-1.0	-45.71	323.64	1.43	-44.28
O=C1N=C(CNS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)[N-]O1	REAL300025569330	0	36	-1.0	-42.02	346.32	2.27	-39.75
COC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569331	0	34	-1.0	-44.57	304.67	0.35	-44.22
COC1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569332	0	29	-1.0	-42.58	272.04	-1.74	-44.32
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025569333	0	27	-1.0	-39.84	271.54	-1.86	-41.70
COC(=O)C1=C(C)NN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569334	0	31	-1.0	-46.41	298.89	-3.51	-49.92
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C	REAL300025569335	0	35	-1.0	-41.31	300.74	-0.27	-41.58
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1C	REAL300025569336	0	39	-1.0	-39.92	355.84	1.52	-38.40
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025569337	0	27	-1.0	-39.70	290.41	0.21	-39.49
COC(=O)CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569338	0	34	-1.0	-46.26	317.85	0.36	-45.90
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)N(C)C	REAL300025569339	0	39	-1.0	-46.25	343.53	-1.58	-47.83
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025569340	0	36	-1.0	-55.10	319.72	-0.06	-55.16
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)[N-]O1	REAL300025569341	0	27	-1.0	-40.93	285.60	0.32	-40.61
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569342	0	37	-1.0	-42.11	317.87	-0.55	-42.66
O=C1N=C(CNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)[N-]O1	REAL300025569343	0	33	-1.0	-50.42	304.54	0.18	-50.24
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569344	0	31	-1.0	-42.18	312.41	0.08	-42.10
CCN1N=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569345	0	34	-1.0	-42.24	299.41	-1.18	-43.42
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025569346	0	34	-1.0	-41.75	311.71	0.11	-41.64
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025569347	0	30	-1.0	-40.28	285.11	0.10	-40.18
CC(C)CN1C=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569348	0	34	-1.0	-45.65	305.44	-0.11	-45.76
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025569349	0	31	-1.0	-43.93	301.45	-0.62	-44.55
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)[N-]O1	REAL300025569350	0	33	-1.0	-51.39	300.48	-2.63	-54.02
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569351	0	34	-1.0	-54.47	325.93	-2.87	-57.34
CCOC(=O)N1CCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569352	0	39	-1.0	-45.89	335.13	-1.18	-47.07
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569353	0	29	-1.0	-39.13	296.64	-0.45	-39.58
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569354	0	26	-1.0	-46.39	261.84	-0.93	-47.32
CC(=O)NC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025569355	0	32	-1.0	-46.48	302.91	-2.07	-48.55
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)[N-]O1	REAL300025569356	0	38	-1.0	-47.56	345.12	1.86	-45.70
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=N2)[N-]O1	REAL300025569357	0	24	-1.0	-40.84	255.31	-2.17	-43.01
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569358	0	37	-1.0	-41.84	292.91	1.43	-40.41
O=C1N=C(CNS(=O)(=O)C2CCC3=CC=CC=C3C2)[N-]O1	REAL300025569359	0	35	-1.0	-41.76	303.58	1.31	-40.45
CC1=NC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2O1	REAL300025569360	0	30	-1.0	-43.29	284.55	-3.42	-46.71
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569361	0	31	-1.0	-42.02	316.98	0.19	-41.83
CC1CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC(Cl)=C2O1	REAL300025569362	0	33	-1.0	-41.70	314.67	0.04	-41.66
CC(=O)NC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025569363	0	35	-1.0	-50.69	315.50	-1.28	-51.97
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025569364	0	39	-1.0	-54.45	333.91	0.57	-53.88
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569365	0	28	-2.0	-106.60	277.24	-1.29	-107.89
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025569365	1	28	-2.0	-106.60	277.24	-1.29	-107.89
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569366	0	42	-1.0	-47.76	382.62	-2.00	-49.76
O=C1N=C(CNS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)[N-]O1	REAL300025569367	0	24	-1.0	-38.33	267.98	-2.00	-40.33
O=C(OCC1=CC=CC=C1)N1CCCC1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569368	0	46	-1.0	-46.25	396.78	1.87	-44.38
O=C1N=C(CNS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)[N-]O1	REAL300025569369	0	34	-1.0	-49.71	309.58	-1.01	-50.72
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025569370	0	35	-1.0	-45.47	322.98	-0.38	-45.85
O=C1N=C(CNS(=O)(=O)C2=CC=CC(I)=C2)[N-]O1	REAL300025569371	0	25	-1.0	-40.80	268.67	0.02	-40.78
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025569372	0	27	-2.0	-107.65	278.03	0.39	-107.26
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025569372	1	27	-2.0	-107.65	278.03	0.39	-107.26
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)[N-]O1	REAL300025569373	0	30	-1.0	-43.64	281.86	-0.70	-44.34
COC(=O)CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569374	0	31	-1.0	-49.51	300.27	-2.31	-51.82
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Br)C=C2)[N-]O1	REAL300025569375	0	28	-1.0	-44.05	285.95	0.26	-43.79
O=C1N=C(CNS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)[N-]O1	REAL300025569376	0	30	-1.0	-43.52	296.86	-0.50	-44.02
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025569377	0	34	-1.0	-44.74	314.30	0.17	-44.57
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025569378	0	40	-1.0	-42.05	359.07	1.06	-40.99
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569379	0	29	-1.0	-42.75	285.16	-0.35	-43.10
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569380	0	37	-1.0	-40.00	298.15	2.11	-37.89
O=C1N=C(CNS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)[N-]O1	REAL300025569381	0	25	-1.0	-38.34	259.90	-0.90	-39.24
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569382	0	34	-1.0	-49.30	309.19	0.71	-48.59
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569383	0	36	-1.0	-43.57	323.36	0.75	-42.82
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025569384	0	32	-1.0	-46.14	302.05	-0.98	-47.12
O=C1N=C(CNS(=O)(=O)C2=C(Br)C=C3NC(=O)NC3=C2)[N-]O1	REAL300025569385	0	29	-1.0	-43.01	293.04	-3.52	-46.53
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569386	0	40	-1.0	-40.78	331.34	1.70	-39.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569387	0	33	-1.0	-50.94	307.00	-1.67	-52.61
O=C1N=C(CNS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)[N-]O1	REAL300025569388	0	32	-1.0	-47.11	305.85	0.20	-46.91
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025569389	0	35	-1.0	-41.25	335.04	0.97	-40.28
CC1=CC(Br)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569390	0	25	-1.0	-40.19	270.93	-0.86	-41.05
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C(F)=C2)[N-]O1	REAL300025569391	0	25	-1.0	-39.13	267.92	-0.43	-39.56
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569392	0	35	-1.0	-47.43	319.14	-0.43	-47.86
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1F	REAL300025569393	0	31	-1.0	-39.59	287.93	0.26	-39.33
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(Br)=C2)[N-]O1	REAL300025569394	0	25	-1.0	-39.08	267.91	-0.42	-39.50
CC1=C(Br)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569395	0	30	-1.0	-39.23	305.69	0.72	-38.51
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025569396	0	29	-1.0	-42.32	286.44	-1.23	-43.55
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2S1	REAL300025569397	0	39	-1.0	-41.73	353.89	0.87	-40.86
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569398	0	36	-1.0	-46.73	328.64	-0.33	-47.06
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569399	0	26	-1.0	-42.90	263.21	-0.83	-43.73
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025569400	0	27	-1.0	-43.30	289.41	1.66	-41.64
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025569400	1	27	-1.0	-43.30	289.41	1.66	-41.64
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL300025569401	0	29	-1.0	-47.11	284.30	-2.74	-49.85
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025569402	0	34	-1.0	-41.93	311.73	0.10	-41.83
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569403	0	28	-1.0	-40.42	280.40	0.11	-40.31
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025569404	0	28	-1.0	-44.96	288.17	-1.42	-46.38
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025569405	0	31	-1.0	-41.01	312.08	0.32	-40.69
CC1(C)CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025569406	0	36	-1.0	-41.61	318.35	0.16	-41.45
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(F)C=C1F	REAL300025569407	0	28	-1.0	-39.43	265.87	-0.64	-40.07
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)[N-]O1	REAL300025569408	0	31	-1.0	-43.80	287.51	1.72	-42.08
COC1=CC(OC)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569409	0	33	-1.0	-43.05	311.28	-1.28	-44.33
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025569410	0	29	-1.0	-39.98	290.83	-1.11	-41.09
COC1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569411	0	29	-1.0	-42.48	286.85	-1.05	-43.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569412	0	33	-1.0	-38.16	291.82	0.93	-37.23
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569413	0	35	-1.0	-49.52	311.59	-5.51	-55.03
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025569414	0	31	-1.0	-42.62	300.24	-0.41	-43.03
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025569415	0	31	-1.0	-39.08	309.80	0.00	-39.08
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569416	0	35	-1.0	-47.13	316.08	-0.60	-47.73
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569417	0	37	-1.0	-43.99	327.30	0.99	-43.00
COC(=O)CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025569418	0	34	-1.0	-44.55	306.04	-0.55	-45.10
CC1=C(Br)SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569419	0	25	-1.0	-38.59	274.10	-0.76	-39.35
CCS(=O)(=O)NCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569420	0	32	-1.0	-51.66	304.76	-6.33	-57.99
O=C1N=C(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)[N-]O1	REAL300025569421	0	28	-1.0	-39.99	296.53	0.85	-39.14
COC1=CC(Br)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569422	0	29	-1.0	-39.94	302.83	-0.46	-40.40
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569423	0	31	-1.0	-40.16	294.68	0.83	-39.33
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569424	0	32	-1.0	-42.44	300.93	-0.07	-42.51
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)[N-]O1	REAL300025569425	0	31	-1.0	-44.49	281.90	1.27	-43.22
O=C1N=C(CNS(=O)(=O)C2=CN=C3C=CSC3=C2)[N-]O1	REAL300025569426	0	27	-1.0	-42.15	272.89	-1.59	-43.74
CN1CCCC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025569427	0	37	-1.0	-42.88	315.12	-0.54	-43.42
CC1=CC(Cl)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025569428	0	30	-1.0	-40.97	286.83	0.16	-40.81
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569429	0	32	-1.0	-44.09	311.07	-1.56	-45.65
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025569430	0	30	-2.0	-99.52	300.99	-2.04	-101.56
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL300025569430	1	30	-2.0	-99.52	300.99	-2.04	-101.56
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025569431	0	27	-1.0	-40.17	275.52	-0.34	-40.51
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=C2CCCC3)[N-]O1	REAL300025569432	0	35	-1.0	-41.39	296.57	1.59	-39.80
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025569433	0	29	-1.0	-42.61	297.55	0.10	-42.51
COC(=O)C1=C(C)OC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569434	0	31	-1.0	-41.25	298.78	-1.63	-42.88
O=C1N=C(CNS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)[N-]O1	REAL300025569435	0	31	-1.0	-44.96	292.27	-2.03	-46.99
O=C1N=C(CNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)[N-]O1	REAL300025569436	0	28	-1.0	-41.50	283.69	0.32	-41.18
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569437	0	32	-1.0	-42.90	314.47	-2.15	-45.05
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569438	0	30	-1.0	-45.36	297.80	-0.95	-46.31
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569439	0	28	-1.0	-40.24	273.55	0.33	-39.91
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025569440	0	36	-1.0	-42.76	324.22	-1.59	-44.35
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(Br)S1	REAL300025569441	0	25	-1.0	-38.32	270.75	-0.50	-38.82
O=C1N=C(CNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)[N-]O1	REAL300025569442	0	31	-1.0	-41.00	296.30	1.69	-39.31
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL300025569443	0	31	-1.0	-41.26	306.51	-0.34	-41.60
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025569444	0	31	-1.0	-42.11	296.50	0.80	-41.31
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1N(C)C	REAL300025569445	0	36	-1.0	-40.74	315.50	-0.43	-41.17
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569446	0	34	-1.0	-49.61	323.06	-2.66	-52.27
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(F)C=C21	REAL300025569447	0	31	-1.0	-40.49	292.38	0.14	-40.35
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569448	0	33	-1.0	-49.46	290.17	1.81	-47.65
CC1=NC(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)S2)=CS1	REAL300025569449	0	31	-1.0	-42.21	320.34	-0.52	-42.73
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569450	0	26	-1.0	-38.79	263.09	-3.21	-42.00
O=C1N=C(CNS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)[N-]O1	REAL300025569451	0	28	-1.0	-45.02	287.25	0.19	-44.83
O=C(CCS(=O)(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025569452	0	37	-1.0	-45.81	341.98	1.42	-44.39
O=C1N=C(CNS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)[N-]O1	REAL300025569453	0	30	-1.0	-42.87	291.57	-5.62	-48.49
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569454	0	39	-1.0	-43.15	333.69	0.97	-42.18
CC1=NC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL300025569455	0	33	-1.0	-48.69	294.05	0.59	-48.10
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C2S1	REAL300025569456	0	31	-1.0	-41.46	302.61	1.60	-39.86
COC(=O)C1=NSC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569457	0	27	-1.0	-47.08	273.30	-2.23	-49.31
O=C1N=C(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569458	0	33	-1.0	-49.54	305.67	0.81	-48.73
O=C1N=C(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)[N-]O1	REAL300025569459	0	33	-1.0	-48.21	314.37	1.09	-47.12
N#CC1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569460	0	26	-1.0	-40.40	283.02	-0.08	-40.48
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)N1	REAL300025569461	0	38	-1.0	-42.82	336.81	-0.41	-43.23
CC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569462	0	28	-1.0	-40.52	265.92	-0.63	-41.15
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569463	0	33	-1.0	-42.43	308.44	0.06	-42.37
CC1=NN2C=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=NC2=C1Cl	REAL300025569464	0	30	-1.0	-42.48	300.25	-1.24	-43.72
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025569465	0	31	-1.0	-41.45	308.22	-0.04	-41.49
O=C1N=C(CNS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)[N-]O1	REAL300025569466	0	28	-1.0	-43.68	298.12	0.64	-43.04
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025569467	0	31	-1.0	-41.95	296.43	-0.34	-42.29
COC1=CC(OC)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569468	0	33	-1.0	-43.28	299.89	-2.47	-45.75
CC1=C(Br)SC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=N1	REAL300025569469	0	24	-1.0	-39.39	269.24	-2.86	-42.25
CC1=C(Br)SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025569469	1	24	-1.0	-39.39	269.24	-2.86	-42.25
O=C1N=C(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)[N-]O1	REAL300025569470	0	32	-1.0	-55.73	305.54	-3.22	-58.95
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569471	0	31	-1.0	-48.45	299.48	0.07	-48.38
CC1=CN(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2F)N=C1	REAL300025569472	0	35	-1.0	-42.13	324.49	0.78	-41.35
O=C1N=C(CNS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)[N-]O1	REAL300025569473	0	36	-1.0	-50.49	340.91	-4.02	-54.51
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569474	0	26	-1.0	-41.80	270.19	-0.41	-42.21
N#CC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569474	1	26	-1.0	-41.80	270.19	-0.41	-42.21
O=C1N=C(CNS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569475	0	30	-1.0	-51.80	282.73	0.71	-51.09
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)[N-]O1	REAL300025569476	0	27	-1.0	-41.50	285.29	0.05	-41.45
O=C1N=C(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)[N-]O1	REAL300025569477	0	31	-1.0	-46.26	298.60	1.77	-44.49
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569478	0	31	-1.0	-46.18	306.00	-3.54	-49.72
O=C1N=C(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3S2)[N-]O1	REAL300025569479	0	28	-1.0	-40.29	286.23	0.41	-39.88
CN1C=NC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569480	0	31	-1.0	-48.52	289.16	0.26	-48.26
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569481	0	30	-1.0	-48.00	283.75	-0.63	-48.63
CC(C)N1N=CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569482	0	37	-1.0	-43.33	331.62	0.45	-42.88
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569483	0	30	-1.0	-39.80	297.11	0.76	-39.04
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569484	0	28	-1.0	-51.92	271.04	-0.94	-52.86
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569485	0	31	-1.0	-44.93	301.77	0.93	-44.00
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025569486	0	23	-2.0	-101.83	258.57	-2.32	-104.15
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025569486	1	23	-2.0	-101.83	258.57	-2.32	-104.15
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025569487	0	36	-1.0	-42.61	327.57	-0.04	-42.65
O=C(NCCS(=O)(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025569488	0	39	-1.0	-48.99	358.15	-1.66	-50.65
O=C1N=C(CNS(=O)(=O)CC2=CC=C(Cl)C=C2Br)[N-]O1	REAL300025569489	0	28	-1.0	-42.37	298.10	0.70	-41.67
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC(Cl)=C2)[N-]O1	REAL300025569490	0	25	-1.0	-38.57	264.04	-0.49	-39.06
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025569491	0	40	-1.0	-47.53	356.39	-3.65	-51.18
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569492	0	40	-1.0	-46.23	360.75	-3.82	-50.05
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569492	1	40	-1.0	-46.23	360.75	-3.82	-50.05
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCC4=NC(=O)O[N-]4)C=CC1=C23	REAL300025569493	0	36	-1.0	-45.04	326.77	0.82	-44.22
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)S1	REAL300025569494	0	28	-1.0	-46.34	299.11	-4.40	-50.74
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569495	0	44	-1.0	-47.74	395.74	-0.10	-47.84
O=C1N=C(C[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)[N-]O1	REAL300025569496	0	25	-1.0	-37.86	266.19	-0.67	-38.53
O=C1N=C(CNS(=O)(=O)C2=CC(F)=C(Br)C=C2F)[N-]O1	REAL300025569496	1	25	-1.0	-37.86	266.19	-0.67	-38.53
CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1CC	REAL300025569497	0	37	-1.0	-41.37	317.95	1.49	-39.88
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1F	REAL300025569498	0	30	-1.0	-41.38	293.94	0.24	-41.14
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569499	0	30	-1.0	-41.80	291.63	-2.26	-44.06
COC(=O)C1=COC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569500	0	27	-2.0	-103.44	279.48	-3.02	-106.46
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025569500	1	27	-2.0	-103.44	279.48	-3.02	-106.46
N#CC1=CC=C(F)C(CS(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569501	0	29	-1.0	-47.04	290.82	0.05	-46.99
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569502	0	37	-1.0	-42.39	314.71	-0.62	-43.01
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)[N-]O1	REAL300025569503	0	27	-1.0	-39.69	285.60	0.32	-39.37
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)[N-]O1	REAL300025569504	0	30	-1.0	-41.55	294.01	1.16	-40.39
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569505	0	38	-1.0	-47.87	347.44	0.45	-47.42
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)[N-]O1	REAL300025569506	0	24	-2.0	-92.51	266.83	-1.28	-93.79
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570507	0	40	-1.0	-41.94	346.93	1.70	-40.24
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300025570508	0	42	-1.0	-38.52	378.24	4.75	-33.77
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025570509	0	41	-1.0	-37.51	344.59	2.75	-34.76
CC1=CC(OCCCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025570510	0	37	-1.0	-38.15	332.57	3.23	-34.92
CC(C)(C)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(C(C)(C)C)=C1	REAL300025570511	0	52	-1.0	-37.66	402.01	6.47	-31.19
CC(C)(C)C1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570512	0	40	-1.0	-38.02	325.84	4.14	-33.88
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570513	0	37	-1.0	-39.07	330.33	3.17	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CCC2=O)C=C1	REAL300025570514	0	37	-1.0	-43.07	329.26	2.20	-40.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300025570515	0	36	-1.0	-43.33	323.92	-0.33	-43.66
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570516	0	38	-1.0	-40.70	344.84	5.57	-35.13
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570517	0	35	-1.0	-46.81	313.79	1.70	-45.11
O=C(CNS(=O)(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570518	0	32	-1.0	-41.21	299.85	-2.57	-43.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1	REAL300025570519	0	37	-1.0	-48.84	347.92	0.66	-48.18
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025570520	0	36	-1.0	-36.94	312.91	0.20	-36.74
CC1=CC(Cl)=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570521	0	34	-1.0	-36.69	308.10	3.45	-33.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300025570522	0	35	-1.0	-43.93	308.22	1.52	-42.41
CN1C=NC2=C1C(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)N2C	REAL300025570523	0	36	-1.0	-48.29	319.63	2.05	-46.24
CC1CCCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570524	0	45	-1.0	-41.08	365.32	1.60	-39.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Cl	REAL300025570525	0	24	-1.0	-36.37	254.94	2.19	-34.18
CCOC1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570526	0	35	-1.0	-37.35	315.60	2.41	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CN1C1=CC=C(F)C=C1	REAL300025570527	0	31	-1.0	-38.42	285.89	3.55	-34.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=CC=C21	REAL300025570528	0	36	-1.0	-37.17	306.97	3.47	-33.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300025570529	0	31	-1.0	-38.28	297.64	3.79	-34.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)O1	REAL300025570530	0	31	-1.0	-43.52	293.30	2.92	-40.60
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025570531	0	39	-1.0	-40.86	332.90	-0.81	-41.67
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570532	0	40	-1.0	-43.76	347.76	2.26	-41.50
O=C(CN1C=NC2=C(C(C3=CC=CS3)=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025570533	0	36	-1.0	-47.04	347.92	4.08	-42.96
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NS(=O)(=O)C3=CC=CC=C32)CC1	REAL300025570534	0	43	-1.0	-48.08	364.05	0.39	-47.69
O=C(COC1=CC=C(F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570535	0	28	-1.0	-38.92	277.10	2.21	-36.71
CC1=NN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300025570536	0	42	-1.0	-43.87	373.48	4.36	-39.51
O=C(CNC(=O)C1=CC(Cl)=CC=N1)NCC1=NC(=O)O[N-]1	REAL300025570537	0	30	-1.0	-38.90	294.10	-1.68	-40.58
O=C(COC1=CC=C(C2SCCCS2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570538	0	40	-1.0	-40.14	359.32	5.18	-34.96
CS(=O)(=O)N1CCCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570539	0	39	-1.0	-44.82	331.00	0.36	-44.46
O=C(NCC1=NC(=O)O[N-]1)C1=C(CS(=O)(=O)C2=CC=CC=C2)C=CO1	REAL300025570540	0	37	-1.0	-48.08	343.24	0.55	-47.53
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570541	0	39	-1.0	-39.24	332.91	4.27	-34.97
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570542	0	34	-1.0	-42.63	318.95	0.69	-41.94
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025570543	0	35	-1.0	-39.24	336.10	-0.02	-39.26
O=C(CCCN1C(=O)C2=CC=CC3=CC=CC(=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025570544	0	43	-1.0	-49.13	371.52	4.22	-44.91
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025570545	0	37	-1.0	-38.98	320.23	3.23	-35.75
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCC1	REAL300025570546	0	43	-1.0	-43.98	368.31	0.02	-43.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C2=CC=CC=C21	REAL300025570547	0	42	-1.0	-38.93	365.49	4.40	-34.53
CC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025570548	0	43	-1.0	-38.25	357.13	2.82	-35.43
CC(C)C(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570549	0	52	-1.0	-37.02	408.39	4.12	-32.90
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300025570550	0	41	-1.0	-43.77	353.64	3.31	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025570551	0	42	-1.0	-45.07	347.39	1.91	-43.16
O=C(CCCSC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570552	0	34	-1.0	-37.48	324.17	4.28	-33.20
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300025570553	0	31	-1.0	-34.28	287.64	2.90	-31.38
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570554	0	40	-1.0	-37.43	334.53	5.63	-31.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC1=CC=CC=C1	REAL300025570555	0	37	-1.0	-37.28	315.09	5.27	-32.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300025570556	0	27	-1.0	-38.72	272.88	2.95	-35.77
O=C(CCC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570557	0	46	-1.0	-42.38	395.51	0.11	-42.27
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCCC1	REAL300025570558	0	45	-1.0	-42.42	361.27	1.33	-41.09
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300025570559	0	27	-1.0	-35.87	289.60	3.45	-32.42
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025570560	0	42	-1.0	-38.63	356.05	5.77	-32.86
COC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025570561	0	43	-1.0	-38.26	364.08	4.40	-33.86
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025570562	0	41	-1.0	-40.30	372.54	5.40	-34.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300025570563	0	31	-1.0	-37.84	307.97	4.25	-33.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)NC2=C1	REAL300025570564	0	33	-1.0	-38.07	297.64	0.43	-37.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C3OCCOC3=C2)S1	REAL300025570565	0	37	-1.0	-42.55	335.71	2.88	-39.67
O=C(CC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025570566	0	27	-1.0	-36.84	277.67	2.70	-34.14
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570567	0	32	-1.0	-37.47	304.09	2.88	-34.59
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025570568	0	36	-1.0	-39.44	312.57	1.33	-38.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300025570569	0	35	-1.0	-41.30	307.64	5.05	-36.25
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570570	0	34	-1.0	-35.94	297.75	3.02	-32.92
O=C(CC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570571	0	27	-1.0	-36.50	276.72	2.67	-33.83
O=C(CN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025570572	0	31	-1.0	-45.54	290.95	0.91	-44.63
CC(C)(C)C1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570573	0	46	-1.0	-38.50	373.28	4.45	-34.05
CCOC1=CC=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570574	0	41	-1.0	-42.22	348.22	2.95	-39.27
CC1CC(C)CN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])C1	REAL300025570575	0	47	-1.0	-37.24	378.56	5.65	-31.59
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300025570576	0	44	-1.0	-43.63	372.57	-1.53	-45.16
O=C(CCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025570577	0	32	-1.0	-39.69	298.81	1.96	-37.73
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025570578	0	34	-1.0	-40.68	312.32	2.13	-38.55
CC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025570579	0	36	-1.0	-42.56	330.84	3.36	-39.20
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3	REAL300025570580	0	33	-1.0	-38.77	317.34	2.07	-36.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025570581	0	38	-1.0	-39.03	338.43	4.11	-34.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCCS2)C=C1	REAL300025570582	0	36	-1.0	-38.99	325.77	4.60	-34.39
CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570583	0	37	-1.0	-37.30	323.81	0.86	-36.44
O=C(NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CS1	REAL300025570584	0	35	-1.0	-46.94	325.33	2.07	-44.87
O=C(CN1C(=O)C2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025570585	0	31	-1.0	-42.15	312.24	1.53	-40.62
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570586	0	40	-1.0	-46.96	364.66	-1.43	-48.39
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570587	0	38	-1.0	-43.30	332.75	-0.27	-43.57
COC1=CC=C(Cl)C=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025570588	0	39	-1.0	-41.72	354.44	2.16	-39.56
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570589	0	41	-1.0	-41.30	354.25	0.46	-40.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21	REAL300025570590	0	39	-1.0	-38.53	334.65	5.09	-33.44
CCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570591	0	39	-1.0	-39.17	338.52	2.60	-36.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300025570592	0	38	-1.0	-41.94	346.95	6.10	-35.84
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570593	0	45	-1.0	-43.13	374.27	1.72	-41.41
CC1=NN2C(=C1)N=C(C)C(CCC(=O)NCC1=NC(=O)O[N-]1)=C2C	REAL300025570594	0	41	-1.0	-41.62	345.87	3.00	-38.62
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025570595	0	44	-1.0	-39.05	349.61	1.98	-37.07
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300025570596	0	41	-1.0	-36.89	351.99	2.57	-34.32
O=C(CC1=CSC(C2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025570597	0	30	-1.0	-42.91	301.04	1.71	-41.20
CCC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025570598	0	36	-1.0	-41.68	331.27	3.30	-38.38
CCOC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570599	0	44	-1.0	-41.01	385.93	4.22	-36.79
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570599	1	43	-2.0	-87.10	382.50	4.05	-83.05
CC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570600	0	40	-1.0	-41.14	356.02	4.66	-36.48
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570600	1	39	-2.0	-88.73	352.60	4.50	-84.23
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570601	0	40	-1.0	-41.10	356.12	4.65	-36.45
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570601	1	39	-2.0	-89.02	352.83	4.50	-84.52
CC1=NC2=NC(N)=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570602	0	39	-1.0	-44.32	334.06	4.09	-40.23
CSC1=NC(C)=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025570603	0	38	-1.0	-38.81	334.75	2.06	-36.75
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C=C2)=N1	REAL300025570604	0	33	-1.0	-35.79	311.39	2.65	-33.14
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570605	0	41	-1.0	-44.01	343.21	1.29	-42.72
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025570606	0	37	-1.0	-41.29	328.29	2.54	-38.75
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570607	0	42	-1.0	-45.20	374.18	-3.03	-48.23
CCCOC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025570608	0	38	-1.0	-36.12	347.35	2.77	-33.35
CC1=CC=C(CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025570609	0	41	-1.0	-39.72	351.42	3.30	-36.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCO2)C=C1	REAL300025570610	0	39	-1.0	-39.84	329.35	1.66	-38.18
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025570611	0	40	-1.0	-38.62	332.29	4.07	-34.55
CCCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025570612	0	52	-1.0	-40.62	432.65	5.02	-35.60
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL300025570613	0	36	-1.0	-42.30	316.12	4.38	-37.92
CC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570614	0	38	-1.0	-41.08	338.28	-1.37	-42.45
CC1=C(C2=CC=CC=C2)OC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C1=O	REAL300025570615	0	42	-1.0	-41.37	360.63	6.46	-34.91
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025570616	0	34	-1.0	-39.72	304.04	1.97	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL300025570617	0	30	-1.0	-37.47	281.07	0.05	-37.42
CCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025570618	0	40	-1.0	-36.92	351.80	2.86	-34.06
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025570619	0	39	-1.0	-43.22	337.32	2.77	-40.45
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025570620	0	33	-1.0	-43.75	302.76	2.63	-41.12
CC1=CC(SCC(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025570621	0	34	-1.0	-36.01	322.23	3.94	-32.07
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025570622	0	35	-2.0	-76.58	323.27	2.33	-74.25
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025570622	1	36	-1.0	-37.47	326.37	2.75	-34.72
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)C=N2	REAL300025570623	0	39	-1.0	-44.07	341.25	2.38	-41.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300025570624	0	38	-1.0	-38.71	350.24	4.96	-33.75
CCCN1C(=O)N(CCC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025570625	0	43	-1.0	-43.54	369.67	4.63	-38.91
O=C(COC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570626	0	28	-1.0	-38.42	287.43	2.67	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300025570627	0	38	-1.0	-39.54	332.37	4.33	-35.21
CC1SC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=O	REAL300025570628	0	33	-1.0	-36.85	300.55	0.78	-36.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)C=CS1	REAL300025570629	0	31	-1.0	-38.61	287.30	3.66	-34.95
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570630	0	33	-1.0	-47.73	302.37	3.12	-44.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=C1CCCCCN1C2=O	REAL300025570631	0	42	-1.0	-42.62	343.92	3.45	-39.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=C1C(=O)N1CCCCCC1=N2	REAL300025570632	0	42	-1.0	-43.81	349.86	3.26	-40.55
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025570633	0	40	-1.0	-38.72	366.48	4.62	-34.10
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025570634	0	34	-1.0	-40.22	314.25	4.09	-36.13
COC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025570635	0	34	-1.0	-39.25	299.67	1.41	-37.84
CC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570636	0	43	-1.0	-43.45	365.52	-0.70	-44.15
CC1=CC=CC(NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025570637	0	42	-1.0	-39.55	347.26	5.03	-34.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300025570638	0	38	-1.0	-42.67	332.18	3.60	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300025570639	0	27	-1.0	-36.17	279.27	3.02	-33.15
O=C(CC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570640	0	27	-1.0	-36.42	267.04	2.35	-34.07
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570641	0	28	-1.0	-37.16	302.59	3.12	-34.04
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300025570642	0	38	-1.0	-35.44	306.42	3.54	-31.90
O=C(CCC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570643	0	48	-1.0	-41.43	404.26	2.53	-38.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025570644	0	39	-1.0	-38.13	350.63	4.73	-33.40
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025570645	0	37	-1.0	-38.29	348.78	4.20	-34.09
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570646	0	42	-1.0	-42.75	374.26	2.52	-40.23
CC1=C([N+](=O)[O-])C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025570647	0	31	-1.0	-35.09	287.48	2.72	-32.37
CC(C)(C)C1=CC=C(OCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025570648	0	50	-1.0	-38.39	408.56	6.65	-31.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1	REAL300025570649	0	38	-1.0	-37.94	359.44	6.47	-31.47
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025570650	0	38	-1.0	-39.69	346.88	4.92	-34.77
COC1=CC=CC(NC(=O)COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025570651	0	46	-1.0	-48.18	395.85	2.84	-45.34
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025570652	0	43	-1.0	-44.32	363.86	3.95	-40.37
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570653	0	44	-1.0	-40.24	377.02	6.45	-33.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1Cl	REAL300025570654	0	38	-1.0	-38.98	358.86	6.56	-32.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=CC=C1Cl	REAL300025570655	0	38	-1.0	-40.68	342.13	6.05	-34.63
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=C(Cl)C=C2S1	REAL300025570656	0	27	-1.0	-35.18	301.12	3.80	-31.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(F)C=C1	REAL300025570657	0	38	-1.0	-42.44	336.63	5.65	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCCOC1=CC=CC=C1	REAL300025570658	0	42	-1.0	-46.38	360.14	5.31	-41.07
CC(C)[C@H](NC1=CC=C(C(F)(F)F)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570659	0	41	-1.0	-35.50	366.93	3.89	-31.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1	REAL300025570660	0	38	-1.0	-38.36	349.13	4.85	-33.51
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570661	0	35	-1.0	-39.40	318.11	-1.92	-41.32
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570662	0	37	-1.0	-40.69	323.90	3.10	-37.59
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570663	0	37	-1.0	-38.26	346.15	3.51	-34.75
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570664	0	34	-1.0	-39.37	320.71	3.00	-36.37
O=C(COC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570665	0	28	-1.0	-40.06	290.67	2.82	-37.24
COC1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025570666	0	39	-1.0	-46.22	337.62	1.68	-44.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)C3=CC=CC=C3C2=O)=C1	REAL300025570667	0	41	-1.0	-44.68	368.77	4.31	-40.37
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL300025570668	0	35	-1.0	-39.78	310.76	0.75	-39.03
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570669	0	37	-1.0	-38.13	360.41	3.98	-34.15
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300025570670	0	46	-1.0	-42.88	392.16	-0.15	-43.03
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025570671	0	38	-1.0	-41.50	317.70	2.97	-38.53
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025570672	0	44	-1.0	-42.48	360.18	1.02	-41.46
O=C(NCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CC=C2F)CC1	REAL300025570673	0	42	-1.0	-42.13	360.17	0.80	-41.33
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025570674	0	36	-1.0	-42.63	311.87	-1.20	-43.83
O=C(CCN1N=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025570675	0	34	-1.0	-42.87	308.66	-0.13	-43.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(COC2=CC=C(Cl)C=C2)=N1	REAL300025570676	0	37	-1.0	-37.14	353.85	2.63	-34.51
O=C(CC1=COC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025570677	0	33	-1.0	-44.68	301.59	0.33	-44.35
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570678	0	42	-1.0	-44.04	366.18	0.15	-43.89
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570679	0	35	-1.0	-41.73	316.70	-0.96	-42.69
CCC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025570680	0	41	-1.0	-39.64	342.83	3.43	-36.21
O=C(CN1N=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025570681	0	31	-1.0	-45.78	287.63	-0.65	-46.43
COCC1=NC(OC)=C2C(C)=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL300025570682	0	39	-1.0	-39.25	349.60	-1.37	-40.62
O=C(CC1=CSC(C2=CC=CN=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025570683	0	32	-1.0	-44.47	304.45	0.91	-43.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1	REAL300025570684	0	41	-1.0	-44.01	358.26	4.86	-39.15
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025570685	0	37	-1.0	-45.36	333.49	2.13	-43.23
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1C	REAL300025570686	0	48	-1.0	-43.35	397.98	2.17	-41.18
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025570687	0	36	-1.0	-45.75	313.12	3.31	-42.44
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025570688	0	34	-1.0	-38.79	314.06	4.33	-34.46
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025570689	0	35	-1.0	-39.45	318.05	1.17	-38.28
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570690	0	35	-1.0	-39.04	309.50	-1.16	-40.20
O=C(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570691	0	42	-1.0	-38.77	368.72	2.41	-36.36
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570692	0	32	-1.0	-45.04	291.35	-3.31	-48.35
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570693	0	36	-1.0	-41.88	331.55	-1.39	-43.27
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025570694	0	36	-1.0	-43.84	317.94	-2.86	-46.70
CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570695	0	35	-1.0	-42.08	318.74	-1.94	-44.02
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570696	0	38	-1.0	-39.96	335.94	-1.36	-41.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CCCO2)=C1	REAL300025570697	0	43	-1.0	-43.81	375.60	-1.67	-45.48
C[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570698	0	44	-1.0	-42.33	380.95	-1.98	-44.31
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570699	0	42	-1.0	-38.91	350.11	4.85	-34.06
O=C(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025570700	0	35	-1.0	-41.63	334.59	-1.80	-43.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2CCCO2)C=C1	REAL300025570701	0	43	-1.0	-40.62	375.63	-1.63	-42.25
CCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570702	0	35	-1.0	-40.20	318.72	-1.93	-42.13
C=CCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570703	0	36	-1.0	-40.02	331.53	-1.38	-41.40
CSC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570704	0	36	-1.0	-39.03	326.27	3.34	-35.69
O=C(CN1C(=O)COC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025570705	0	33	-1.0	-43.40	292.24	0.49	-42.91
CC1=NN(CC(C)C)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570706	0	36	-1.0	-37.72	322.50	1.67	-36.05
CC1=C(C)C2=C(N=CN(CC(=O)NCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025570707	0	35	-1.0	-46.31	319.78	2.74	-43.57
CC1=CC=CC2=C1N=CN(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025570708	0	35	-1.0	-46.03	311.55	3.06	-42.97
CC1=NC(C2=CC=CC(Br)=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570709	0	36	-1.0	-36.04	330.48	4.19	-31.85
O=C(CC1=CC(F)=CC2=C1OCOC2)NCC1=NC(=O)O[N-]1	REAL300025570710	0	33	-1.0	-40.70	295.47	0.92	-39.78
CS(=O)(=O)NCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570711	0	38	-1.0	-45.84	342.55	-1.35	-47.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300025570712	0	35	-1.0	-36.72	316.14	3.97	-32.75
CC1=NC(COC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025570713	0	37	-1.0	-39.61	337.42	2.14	-37.47
CC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025570714	0	35	-1.0	-46.36	300.05	2.10	-44.26
C=CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025570715	0	36	-1.0	-37.90	314.50	1.76	-36.14
COC1=CC2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025570716	0	36	-1.0	-37.94	308.11	1.41	-36.53
O=C(CN1C(=O)C=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025570717	0	32	-1.0	-42.97	288.15	0.47	-42.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1	REAL300025570718	0	42	-1.0	-39.54	365.47	1.63	-37.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=CC=C2S1	REAL300025570719	0	27	-1.0	-38.31	276.10	2.92	-35.39
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025570720	0	39	-1.0	-43.67	339.58	-1.09	-44.76
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570721	0	41	-1.0	-41.54	343.87	-1.01	-42.55
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025570722	0	45	-1.0	-39.62	378.53	1.66	-37.96
CCN(CC)S(=O)(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C=C1	REAL300025570723	0	44	-1.0	-48.26	388.57	0.08	-48.18
CCOC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025570724	0	35	-1.0	-38.18	325.91	3.30	-34.88
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570725	0	41	-1.0	-40.52	358.60	5.91	-34.61
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025570726	0	40	-1.0	-38.85	346.07	2.42	-36.43
CN(CCCC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025570727	0	41	-1.0	-44.66	370.00	0.79	-43.87
CCN(CC)S(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570728	0	47	-1.0	-41.84	403.90	2.25	-39.59
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025570729	0	38	-1.0	-39.61	325.90	1.73	-37.88
CCOC1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025570730	0	42	-1.0	-46.00	359.47	2.60	-43.40
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025570731	0	39	-1.0	-40.78	338.71	-1.25	-42.03
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570732	0	43	-1.0	-38.07	356.21	1.86	-36.21
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025570733	0	33	-1.0	-42.66	308.29	0.20	-42.46
COC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025570734	0	37	-1.0	-44.61	335.48	0.29	-44.32
O=C(CNC(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570735	0	31	-1.0	-36.96	301.38	0.16	-36.80
O=C(CNC(=O)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025570736	0	31	-1.0	-38.53	296.83	0.05	-38.48
CC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1	REAL300025570737	0	37	-1.0	-38.80	322.90	0.87	-37.93
CCOC1=CC=CC=C1C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570738	0	38	-1.0	-42.43	329.28	1.02	-41.41
CCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025570739	0	45	-1.0	-40.50	382.42	0.58	-39.92
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC2=CC=C(F)C=C2)=N1	REAL300025570740	0	36	-1.0	-37.46	335.05	3.37	-34.09
CCC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025570741	0	36	-1.0	-40.21	316.52	3.53	-36.68
O=C(CSC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570742	0	28	-1.0	-35.92	285.56	2.81	-33.11
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025570743	0	44	-1.0	-37.39	366.44	3.68	-33.71
CC1CCC2=C(C1)SC1=C2C(=O)N=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025570744	0	45	-1.0	-49.53	384.83	2.89	-46.64
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300025570745	0	33	-1.0	-35.54	321.72	3.10	-32.44
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C2C1	REAL300025570746	0	32	-1.0	-34.82	292.48	2.08	-32.74
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025570747	0	44	-2.0	-85.02	391.00	4.68	-80.34
O=C(CCCCCN1C(=O)C2=CC=CC=C2NC1=S)NCC1=NC(=O)O[N-]1	REAL300025570747	1	45	-1.0	-47.13	394.09	5.10	-42.03
CC1=CC=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=C1C	REAL300025570748	0	41	-1.0	-40.61	344.33	3.85	-36.76
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025570749	0	45	-1.0	-39.65	378.53	1.66	-37.99
CC1(C)NC(=O)N(CCCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025570750	0	38	-1.0	-43.95	330.57	-1.16	-45.11
O=C(CCCCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025570751	0	38	-1.0	-40.82	341.81	3.52	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NN1	REAL300025570752	0	31	-1.0	-35.18	303.86	1.72	-33.46
O=C(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025570753	0	35	-1.0	-41.45	325.21	2.06	-39.39
CC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025570754	0	36	-1.0	-39.60	308.49	1.86	-37.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(Cl)C=C21	REAL300025570755	0	30	-1.0	-37.01	286.84	2.64	-34.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1	REAL300025570756	0	35	-1.0	-40.31	338.04	3.77	-36.54
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570757	0	41	-1.0	-44.10	356.28	-1.99	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3=CC=CC=C3)C(=O)NC2=C1	REAL300025570758	0	40	-1.0	-40.82	356.74	2.97	-37.85
CS(=O)(=O)NCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570759	0	35	-1.0	-44.53	335.13	-2.21	-46.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1	REAL300025570760	0	38	-1.0	-39.62	349.46	2.46	-37.16
CC1=CC(Br)=CC(Cl)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570761	0	31	-1.0	-37.15	313.67	3.51	-33.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CS1	REAL300025570762	0	31	-1.0	-37.55	289.14	3.51	-34.04
O=C(CC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570763	0	30	-1.0	-36.80	284.48	2.73	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1Cl	REAL300025570764	0	24	-1.0	-34.01	256.21	2.11	-31.90
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570765	0	33	-1.0	-48.18	302.57	-3.43	-51.61
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025570766	0	34	-1.0	-41.42	303.78	1.19	-40.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCCC2=O)=C1	REAL300025570767	0	35	-1.0	-42.14	322.92	3.20	-38.94
O=C(CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025570768	0	41	-1.0	-43.69	367.86	0.36	-43.33
COC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570769	0	44	-1.0	-47.00	376.74	-0.83	-47.83
CC(C)(C)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570770	0	42	-1.0	-36.08	343.35	4.86	-31.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CC=CS1	REAL300025570771	0	35	-1.0	-40.36	328.45	5.02	-35.34
CC(=O)N1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])CC1	REAL300025570772	0	45	-1.0	-42.94	378.57	3.08	-39.86
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570773	0	35	-1.0	-38.33	334.84	-1.40	-39.73
O=C(CSC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570774	0	35	-1.0	-37.55	309.81	4.10	-33.45
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)NCC1=NC(=O)O[N-]1	REAL300025570775	0	33	-1.0	-43.46	309.22	-0.38	-43.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)F	REAL300025570776	0	27	-1.0	-38.84	265.10	1.11	-37.73
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570777	0	38	-1.0	-43.50	334.81	-1.25	-44.75
CC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570778	0	42	-1.0	-46.05	375.47	-0.12	-46.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1	REAL300025570779	0	39	-1.0	-42.22	359.38	-0.80	-43.02
O=C(CCNS(=O)(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025570780	0	32	-1.0	-42.66	313.82	-2.92	-45.58
CC1CCCCC12NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025570781	0	42	-1.0	-42.67	343.40	0.56	-42.11
O=C(CNS(=O)(=O)C1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025570782	0	32	-1.0	-40.77	321.14	-1.94	-42.71
COC1=CC=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570783	0	35	-1.0	-40.77	309.57	-1.16	-41.93
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570784	0	34	-1.0	-40.21	306.11	-1.79	-42.00
COC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025570785	0	43	-1.0	-39.98	371.88	-1.32	-41.30
COC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1	REAL300025570786	0	39	-1.0	-40.90	339.03	-1.85	-42.75
CCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570787	0	38	-1.0	-38.69	331.35	-0.22	-38.91
CCCCOC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570788	0	44	-1.0	-38.39	374.35	1.36	-37.03
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570789	0	39	-1.0	-47.04	355.91	-3.68	-50.72
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025570790	0	33	-1.0	-38.75	301.01	2.71	-36.04
CSCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025570791	0	34	-1.0	-41.02	314.84	3.35	-37.67
O=C(CC1=CC(Cl)=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570792	0	33	-1.0	-40.39	306.22	1.42	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)S2)=NC2=CC=CC=C21	REAL300025570793	0	36	-1.0	-37.86	344.48	4.76	-33.10
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)NCC1=NC(=O)O[N-]1	REAL300025570794	0	33	-1.0	-42.36	319.75	2.98	-39.38
COC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025570795	0	37	-1.0	-44.07	334.06	3.80	-40.27
O=C(CCN1C(=O)COC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025570796	0	36	-1.0	-40.81	313.26	0.96	-39.85
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570797	0	36	-1.0	-42.51	329.24	-0.77	-43.28
O=C(COCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025570798	0	33	-1.0	-44.58	311.89	1.54	-43.04
CC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025570799	0	36	-1.0	-38.24	324.23	0.72	-37.52
O=C(CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025570800	0	34	-1.0	-39.91	331.84	1.45	-38.46
COC1=CC=CC=C1C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570801	0	35	-1.0	-42.34	307.42	0.10	-42.24
CC1=CC=C(NS(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025570802	0	42	-1.0	-41.13	377.53	1.55	-39.58
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025570802	1	41	-2.0	-89.68	371.08	1.66	-88.02
O=C(CNC(=O)COC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570803	0	35	-1.0	-41.50	313.63	0.11	-41.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCOC2=C1	REAL300025570804	0	30	-1.0	-38.16	281.53	0.74	-37.42
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570805	0	37	-1.0	-43.35	318.12	4.43	-38.92
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CS2)C1	REAL300025570806	0	39	-1.0	-42.08	350.76	-0.09	-42.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCCOC2=C1	REAL300025570807	0	33	-1.0	-37.15	299.94	1.54	-35.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1Br	REAL300025570808	0	24	-1.0	-34.50	243.78	1.74	-32.76
CCOC1=CC=C(OC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570809	0	41	-1.0	-37.44	332.57	2.70	-34.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=N1	REAL300025570810	0	33	-1.0	-37.48	305.01	2.58	-34.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CS2)=N1	REAL300025570811	0	30	-1.0	-37.92	297.37	1.70	-36.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300025570812	0	33	-1.0	-37.10	321.73	3.09	-34.01
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300025570813	0	30	-1.0	-44.02	305.12	2.37	-41.65
CS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570814	0	33	-1.0	-50.03	306.15	-0.76	-50.79
O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025570815	0	48	-1.0	-37.02	359.66	2.13	-34.89
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570816	0	38	-1.0	-41.88	335.97	-1.37	-43.25
CC1=CC(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025570817	0	35	-1.0	-37.91	318.78	2.97	-34.94
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025570818	0	41	-1.0	-42.96	358.40	2.84	-40.12
CC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570819	0	41	-1.0	-42.66	360.31	-0.72	-43.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL300025570820	0	35	-1.0	-45.55	298.73	2.18	-43.37
CC1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025570821	0	41	-1.0	-40.24	336.80	4.13	-36.11
CC1=CC=C(SC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])C=C1	REAL300025570822	0	40	-1.0	-36.52	366.47	6.33	-30.19
O=C(CN1C=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025570823	0	32	-1.0	-45.96	291.40	2.23	-43.73
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025570824	0	39	-1.0	-52.78	356.59	4.76	-48.02
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570825	0	41	-1.0	-39.85	343.82	-0.98	-40.83
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570826	0	41	-1.0	-39.89	358.54	-0.45	-40.34
CC1=CC=C(C)C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570827	0	38	-1.0	-38.10	324.69	3.71	-34.39
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CO1	REAL300025570828	0	41	-1.0	-39.08	356.17	1.87	-37.21
O=C(COC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570829	0	28	-1.0	-37.27	275.96	2.24	-35.03
O=C(CC1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570830	0	27	-1.0	-37.75	273.85	2.58	-35.17
O=C(CC1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025570831	0	30	-1.0	-37.65	284.48	2.72	-34.93
COC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025570832	0	32	-1.0	-38.63	304.05	2.37	-36.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1O	REAL300025570833	0	25	-1.0	-38.14	251.25	0.21	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025570833	1	24	-2.0	-89.48	247.69	1.22	-88.26
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C=N2	REAL300025570834	0	36	-1.0	-45.78	320.23	1.83	-43.95
CC1CN(S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC(C)O1	REAL300025570835	0	46	-1.0	-41.50	391.82	0.09	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300025570836	0	30	-1.0	-34.28	298.89	3.06	-31.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025570837	0	28	-1.0	-34.97	267.02	0.85	-34.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21	REAL300025570838	0	38	-1.0	-40.81	329.64	3.30	-37.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300025570839	0	36	-1.0	-39.00	327.44	4.15	-34.85
CC1CC(C)CN(S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025570840	0	48	-1.0	-41.35	394.77	2.33	-39.02
CC1=NN(C2=CC=C(Cl)C=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025570841	0	37	-1.0	-38.03	359.10	4.66	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NC2=CC=CC=C21	REAL300025570842	0	38	-1.0	-38.28	329.82	3.32	-34.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NC2=CC=CC=C21	REAL300025570843	0	39	-1.0	-38.20	346.74	6.02	-32.18
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025570844	0	37	-1.0	-40.06	342.36	4.14	-35.92
CC1=NN(C2=CC=CC=C2Cl)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025570845	0	37	-1.0	-40.20	350.57	4.77	-35.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300025570846	0	39	-1.0	-40.13	343.54	0.16	-39.97
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1Cl	REAL300025570847	0	37	-1.0	-37.28	336.07	3.73	-33.55
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025570848	0	36	-1.0	-35.24	317.80	3.84	-31.40
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025570849	0	44	-1.0	-38.93	377.47	0.32	-38.61
CC1=CC=C(C23CC4CC(CC(C(=O)NCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1C	REAL300025570850	0	54	-1.0	-38.55	396.74	7.35	-31.20
COC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570851	0	38	-1.0	-39.81	326.62	1.41	-38.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	REAL300025570852	0	40	-1.0	-41.92	348.79	-1.37	-43.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1I	REAL300025570853	0	24	-1.0	-36.78	242.87	2.12	-34.66
CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570854	0	41	-1.0	-43.07	370.36	1.28	-41.79
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025570855	0	41	-1.0	-39.61	359.03	0.85	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300025570856	0	42	-1.0	-41.42	357.74	1.06	-40.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300025570857	0	35	-1.0	-38.34	311.54	3.95	-34.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NC2=CC=CC=C21	REAL300025570858	0	39	-1.0	-36.97	351.37	5.61	-31.36
O=C(CSC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570859	0	28	-1.0	-36.86	296.01	3.16	-33.70
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)NCC1=NC(=O)O[N-]1	REAL300025570860	0	34	-1.0	-40.91	318.11	4.66	-36.25
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570861	0	37	-1.0	-38.88	319.96	5.15	-33.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1	REAL300025570862	0	24	-1.0	-35.57	248.91	2.14	-33.43
COC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025570863	0	39	-1.0	-41.80	337.66	0.85	-40.95
O=C(NCC1=NC(=O)O[N-]1)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL300025570864	0	36	-1.0	-39.62	310.58	4.22	-35.40
CCCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570865	0	40	-1.0	-36.18	336.88	3.65	-32.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1	REAL300025570866	0	41	-1.0	-42.27	343.98	4.34	-37.93
CSCCC(NC(=O)C1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570867	0	41	-1.0	-39.39	370.58	2.76	-36.63
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570868	0	32	-1.0	-40.10	316.58	-2.05	-42.15
O=C(CSCC1=NC(=O)C2=C(N1)SC1=C2CCC1)NCC1=NC(=O)O[N-]1	REAL300025570869	0	40	-1.0	-58.81	371.80	2.26	-56.55
COC1=CC=C(C2=C(C)SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025570870	0	38	-1.0	-38.52	341.71	3.65	-34.87
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570871	0	41	-1.0	-42.51	376.47	-0.98	-43.49
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570872	0	30	-1.0	-45.86	294.32	-0.90	-46.76
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570873	0	44	-1.0	-38.42	383.44	6.52	-31.90
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2Cl)C1	REAL300025570874	0	38	-1.0	-38.99	339.89	2.83	-36.16
CCC1=CC=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025570875	0	41	-1.0	-44.42	344.20	3.78	-40.64
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C(C)=C1	REAL300025570876	0	48	-1.0	-40.82	384.25	1.85	-38.97
CC1=CC(NC(=O)CSCC(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025570877	0	34	-1.0	-45.60	319.85	0.55	-45.05
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570878	0	44	-1.0	-38.50	383.38	6.50	-32.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300025570879	0	35	-1.0	-40.24	323.55	2.55	-37.69
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025570880	0	32	-1.0	-41.38	306.25	-2.50	-43.88
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1	REAL300025570881	0	38	-1.0	-46.84	336.81	-2.83	-49.67
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570882	0	40	-1.0	-38.34	367.62	4.19	-34.15
CCC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1CC	REAL300025570883	0	40	-1.0	-39.97	336.70	1.98	-37.99
CC1=CC=C(C)C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)=C1	REAL300025570884	0	41	-1.0	-40.88	350.59	3.34	-37.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CC=C3)C(=O)C2=C1	REAL300025570885	0	41	-1.0	-37.61	368.71	4.33	-33.28
CC1=CC=CC(C(=O)NC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570886	0	37	-1.0	-38.64	321.06	1.05	-37.59
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025570887	0	46	-1.0	-41.76	388.86	0.21	-41.55
CC(OC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570888	0	31	-1.0	-36.58	292.60	2.85	-33.73
CC12CC3CC(C)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL300025570889	0	44	-1.0	-36.00	326.27	3.97	-32.03
CC1=C(C)C2=C(N3CCC(C(=O)NCC4=NC(=O)O[N-]4)CC3)N=CN=C2S1	REAL300025570890	0	46	-1.0	-38.15	384.71	4.82	-33.33
CC1=CC(C)=C2C(=N1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2N1C=CC=C1	REAL300025570891	0	40	-1.0	-41.13	351.64	5.08	-36.05
O=C(CCCNC(=O)C1=CSC=C1)NCC1=NC(=O)O[N-]1	REAL300025570892	0	34	-1.0	-41.78	315.06	-0.11	-41.89
O=C(CNC(=O)C1=CC=C(Br)O1)NCC1=NC(=O)O[N-]1	REAL300025570893	0	28	-1.0	-36.98	286.01	-1.73	-38.71
O=C(CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025570894	0	42	-1.0	-44.67	363.79	4.41	-40.26
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570895	0	36	-1.0	-37.24	309.17	3.57	-33.67
CC1=CC=C(OCC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025570896	0	40	-1.0	-44.54	362.44	2.87	-41.67
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570897	0	36	-1.0	-46.95	329.34	-1.80	-48.75
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025570898	0	36	-1.0	-54.23	331.94	-1.96	-56.19
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025570899	0	36	-1.0	-41.39	317.90	0.08	-41.31
O=C(CCCNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025570900	0	39	-1.0	-51.42	353.44	-1.15	-52.57
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300025570901	0	41	-1.0	-44.03	343.32	2.86	-41.17
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300025570902	0	38	-1.0	-40.29	330.03	2.62	-37.67
CC1=C(C)C2=C(SCC(=O)NCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025570903	0	35	-1.0	-38.96	326.64	2.70	-36.26
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=CC=C1	REAL300025570904	0	45	-1.0	-47.49	374.11	6.33	-41.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300025570905	0	28	-1.0	-35.22	277.52	2.38	-32.84
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL300025570906	0	44	-1.0	-40.10	388.19	6.07	-34.03
COC1=CC=C(C2=C(CCC(=O)NCC3=NC(=O)O[N-]3)C3=CC=CC=C3N2)C=C1	REAL300025570907	0	48	-1.0	-39.90	405.22	5.25	-34.65
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NCC1=NC(=O)O[N-]1	REAL300025570908	0	39	-1.0	-50.90	331.96	2.73	-48.17
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1Br	REAL300025570909	0	32	-1.0	-35.22	299.56	0.38	-34.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)C=C1	REAL300025570910	0	28	-1.0	-35.41	277.35	2.50	-32.91
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570911	0	45	-1.0	-39.25	362.95	3.21	-36.04
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025570912	0	36	-1.0	-49.06	317.54	3.73	-45.33
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC(N)=O	REAL300025570913	0	40	-1.0	-43.96	351.50	-1.96	-45.92
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025570914	0	42	-2.0	-78.46	378.44	2.14	-76.32
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025570914	1	43	-1.0	-38.89	381.60	2.57	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300025570915	0	39	-1.0	-43.42	346.51	3.38	-40.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1F	REAL300025570916	0	24	-1.0	-35.92	246.96	1.75	-34.17
CC1=C(C(C)C)C=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025570917	0	42	-1.0	-40.79	351.17	4.55	-36.24
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NCC1=NC(=O)O[N-]1	REAL300025570918	0	36	-1.0	-42.70	315.07	4.18	-38.52
O=C(COC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025570919	0	28	-1.0	-38.47	291.81	2.77	-35.70
O=C(COC1=CC=C(F)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025570920	0	28	-1.0	-38.79	281.49	2.32	-36.47
O=C(COC1=CC=C(I)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570921	0	28	-1.0	-37.08	282.45	2.72	-34.36
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCCOC1=CC=CC=C1	REAL300025570922	0	49	-1.0	-41.66	413.28	4.94	-36.72
O=C(COC1=CC=C(Br)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025570923	0	28	-1.0	-39.75	282.19	2.30	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300025570924	0	41	-1.0	-42.44	359.99	4.74	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSCC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300025570925	0	44	-1.0	-42.34	396.21	7.27	-35.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2CCCCC2)C2=CC=CC=C2O1	REAL300025570926	0	47	-1.0	-41.02	396.20	6.80	-34.22
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025570927	0	45	-1.0	-38.69	371.71	6.97	-31.72
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025570928	0	41	-1.0	-37.48	344.95	2.89	-34.59
O=C(CCNC(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570929	0	34	-1.0	-42.50	323.51	0.80	-41.70
O=C(CCNS(=O)(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570930	0	35	-1.0	-42.56	321.89	-1.92	-44.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300025570931	0	32	-1.0	-41.76	289.89	1.90	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=CN2CCS(=O)(=O)N=C2C=C1	REAL300025570932	0	32	-1.0	-49.18	293.06	-1.57	-50.75
O=C(CCC(=O)C1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025570933	0	29	-1.0	-36.87	295.26	2.07	-34.80
COC1=CC=C(Br)C=C1C(=O)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570934	0	36	-1.0	-40.50	335.98	3.53	-36.97
CC1=NN(C2=CC=C(Cl)C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C(C)=C1	REAL300025570935	0	36	-1.0	-39.44	332.27	3.47	-35.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2=CC=CC=C2)=C1	REAL300025570936	0	42	-1.0	-42.62	378.64	1.06	-41.56
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570937	0	39	-1.0	-43.23	353.80	-0.74	-43.97
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570938	0	39	-1.0	-39.85	347.57	-2.62	-42.47
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570939	0	38	-1.0	-39.30	339.55	-1.24	-40.54
CS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570940	0	32	-1.0	-41.11	298.40	-2.33	-43.44
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OC(C)C2	REAL300025570941	0	36	-1.0	-38.55	307.45	0.94	-37.61
CC(SC1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570942	0	31	-1.0	-35.83	299.58	3.18	-32.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(C(F)(F)F)C=N2)C=C1	REAL300025570943	0	37	-1.0	-37.94	346.84	2.42	-35.52
CSC1=CC=C([N+](=O)[O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570944	0	30	-1.0	-44.59	288.01	3.41	-41.18
CC1OC2=CC=CC=C2N(CCC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025570945	0	39	-1.0	-40.49	333.59	1.64	-38.85
C=CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025570946	0	39	-1.0	-36.56	335.74	2.31	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300025570947	0	39	-1.0	-42.15	358.61	1.04	-41.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300025570947	1	38	-2.0	-84.63	355.88	1.07	-83.56
CNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570948	0	32	-1.0	-42.42	297.71	-2.79	-45.21
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570949	0	35	-1.0	-42.65	322.72	-1.90	-44.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025570950	0	39	-1.0	-42.68	352.20	0.98	-41.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025570950	1	38	-2.0	-91.44	349.49	1.01	-90.43
CC1=CC=C(SCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025570951	0	44	-1.0	-39.18	382.63	7.18	-32.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL300025570952	0	35	-1.0	-37.99	309.86	2.37	-35.62
CC(C)CCSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025570953	0	42	-1.0	-37.24	366.72	5.51	-31.73
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025570954	0	43	-1.0	-42.48	376.16	4.40	-38.08
CC1(C2=CC3=CC=CC=C3C=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025570955	0	45	-1.0	-45.31	386.80	3.04	-42.27
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)NCC1=NC(=O)O[N-]1	REAL300025570956	0	41	-1.0	-41.76	345.61	4.63	-37.13
CC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570957	0	44	-1.0	-40.80	376.98	6.37	-34.43
O=C(CCCC1=NC(=O)C2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025570958	0	38	-1.0	-59.21	333.15	1.33	-57.88
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025570959	0	41	-1.0	-42.98	362.42	5.79	-37.19
COC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570960	0	45	-1.0	-43.49	387.58	5.12	-38.37
O=C(CCC1=NC(C2=CC=CS2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025570961	0	32	-1.0	-39.41	308.95	0.18	-39.23
COC1=CC=C(C23CC4CC(CC(C(=O)NCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025570962	0	52	-1.0	-38.08	387.80	5.42	-32.66
CC1=NC(C2=CNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025570963	0	31	-1.0	-41.87	295.46	0.26	-41.61
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570964	0	39	-1.0	-41.14	346.92	3.10	-38.04
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025570965	0	43	-1.0	-42.57	380.14	1.30	-41.27
COC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025570966	0	38	-1.0	-42.39	347.03	1.07	-41.32
O=C(CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025570967	0	43	-1.0	-41.87	370.40	6.03	-35.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CN3C=CC=CC3=N2)C=C1	REAL300025570968	0	41	-1.0	-44.09	358.19	4.86	-39.23
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL300025570969	0	37	-1.0	-40.49	325.98	3.73	-36.76
O=C(CCCC1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025570970	0	30	-1.0	-37.26	300.55	3.14	-34.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL300025570971	0	35	-1.0	-39.54	305.33	5.16	-34.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300025570972	0	36	-1.0	-51.93	317.48	-0.44	-52.37
CC1=NC(CSCC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025570973	0	30	-1.0	-40.51	296.76	0.78	-39.73
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300025570974	0	30	-1.0	-40.42	305.11	2.38	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025570975	0	34	-2.0	-109.81	319.22	1.70	-108.11
CC1=NC2=NC(C(F)(F)F)=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025570976	0	40	-1.0	-42.29	359.66	4.58	-37.71
O=C(CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025570977	0	43	-1.0	-45.91	361.98	1.54	-44.37
CC[C@H](C)[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025570978	0	45	-1.0	-46.76	376.10	0.27	-46.49
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570979	0	40	-1.0	-42.64	359.32	-1.51	-44.15
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025570980	0	49	-1.0	-37.88	371.48	3.78	-34.10
O=C(CCC(=O)C1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025570981	0	41	-1.0	-41.63	350.12	2.33	-39.30
CC1=C(C)C(C)=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C	REAL300025570982	0	50	-1.0	-41.90	395.77	1.09	-40.81
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025570983	0	35	-1.0	-41.54	328.30	-1.86	-43.40
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)C	REAL300025570984	0	42	-1.0	-43.03	365.29	-1.52	-44.55
COCCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570985	0	42	-1.0	-43.05	368.18	-2.15	-45.20
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025570986	0	35	-1.0	-43.25	323.62	-1.87	-45.12
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025570987	0	44	-1.0	-41.14	369.99	0.24	-40.90
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570988	0	47	-1.0	-41.92	398.11	0.40	-41.52
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570989	0	33	-1.0	-46.24	297.86	-0.74	-46.98
COC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025570990	0	41	-1.0	-43.76	368.06	1.90	-41.86
CSC1=CC=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=C1	REAL300025570991	0	39	-1.0	-47.76	340.53	3.03	-44.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NN1C1=CC=CC=C1	REAL300025570992	0	41	-1.0	-33.41	369.66	7.47	-25.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)S1	REAL300025570993	0	31	-1.0	-38.83	291.25	3.73	-35.10
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025570994	0	33	-1.0	-40.04	298.29	1.27	-38.77
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025570995	0	37	-1.0	-38.98	327.40	4.41	-34.57
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025570996	0	47	-1.0	-40.78	393.99	6.97	-33.81
COC1=CC=C(C)C=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025570997	0	42	-1.0	-42.54	359.12	2.32	-40.22
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL300025570998	0	35	-1.0	-40.63	324.45	3.02	-37.61
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300025570999	0	41	-1.0	-43.01	353.45	4.91	-38.10
COC1=CC=CC(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571000	0	45	-1.0	-41.18	385.04	5.06	-36.12
CC1=CC=C(C(C)C)C(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571001	0	40	-1.0	-38.85	334.69	4.25	-34.60
CC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571002	0	35	-1.0	-41.01	321.25	-1.89	-42.90
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571003	0	40	-1.0	-41.80	351.23	4.87	-36.93
CN(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571004	0	42	-1.0	-41.08	373.57	2.37	-38.71
O=C(NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl)C1=CC=CS1	REAL300025571005	0	35	-1.0	-42.21	339.09	2.68	-39.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)SC1=NS(=O)(=O)CCN21	REAL300025571006	0	35	-1.0	-46.99	327.90	-0.30	-47.29
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025571007	0	41	-1.0	-36.12	363.19	3.32	-32.80
CN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025571008	0	34	-1.0	-38.10	301.36	2.31	-35.79
O=C(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571009	0	36	-1.0	-40.26	345.83	-2.77	-43.03
CCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571010	0	38	-1.0	-36.16	343.08	2.65	-33.51
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCCC(C)C	REAL300025571011	0	44	-1.0	-36.03	382.15	3.95	-32.08
CC1=CC=CC(NC(=O)CSCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571012	0	38	-1.0	-46.81	345.19	2.04	-44.77
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571013	0	42	-1.0	-47.84	377.96	-3.02	-50.86
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571014	0	46	-1.0	-37.80	375.77	2.71	-35.09
CC1=CSC(SC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])=N1	REAL300025571015	0	36	-1.0	-39.24	352.08	3.27	-35.97
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571016	0	42	-1.0	-45.17	375.74	-1.68	-46.85
O=C(CSC1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025571017	0	34	-1.0	-39.79	308.76	1.33	-38.46
NS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571018	0	35	-1.0	-43.17	321.39	-2.51	-45.68
CNS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571019	0	38	-1.0	-42.51	343.74	-1.29	-43.80
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300025571020	0	41	-1.0	-40.19	351.61	0.57	-39.62
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571021	0	35	-1.0	-37.50	334.77	1.69	-35.81
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=C(F)C=C1	REAL300025571022	0	32	-1.0	-41.68	310.90	3.61	-38.07
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=CC=C1	REAL300025571023	0	32	-1.0	-43.57	304.42	3.54	-40.03
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571024	0	34	-1.0	-42.36	331.49	3.95	-38.41
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571024	1	33	-2.0	-90.12	328.08	3.79	-86.33
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571025	0	37	-1.0	-43.07	336.17	4.11	-38.96
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571025	1	36	-2.0	-94.35	332.76	3.95	-90.40
COC1=CC=C(C2=NNC(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571026	0	38	-1.0	-42.90	344.20	2.74	-40.16
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571026	1	37	-2.0	-92.66	340.80	2.57	-90.09
O=C(CCN1C(=S)NN=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571027	0	34	-1.0	-41.40	327.85	3.11	-38.29
O=C(CCN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571027	1	33	-2.0	-88.03	324.33	2.94	-85.09
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025571028	0	27	-1.0	-42.60	280.01	0.89	-41.71
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300025571029	0	30	-1.0	-40.69	294.79	1.93	-38.76
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(N)=O	REAL300025571030	0	36	-1.0	-46.34	318.33	-1.79	-48.13
O=C(CC1=CSC(C2=CSC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571031	0	30	-1.0	-41.59	300.44	1.61	-39.98
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571032	0	37	-1.0	-39.42	330.06	-2.97	-42.39
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571033	0	39	-1.0	-44.22	328.19	4.89	-39.33
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571034	0	41	-1.0	-43.08	326.84	3.66	-39.42
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571035	0	40	-1.0	-51.31	353.96	3.81	-47.50
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571036	0	44	-1.0	-42.02	370.02	-0.20	-42.22
C[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571037	0	38	-1.0	-41.17	341.22	-0.35	-41.52
COC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025571038	0	34	-1.0	-41.42	317.82	1.17	-40.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C(N=CN(C)C2=O)O1	REAL300025571039	0	32	-1.0	-53.41	294.79	-0.64	-54.05
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025571040	0	36	-1.0	-50.54	328.56	3.93	-46.61
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571041	0	33	-1.0	-40.20	316.97	2.54	-37.66
CC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025571042	0	36	-1.0	-41.13	311.99	3.30	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCCC2)S1	REAL300025571043	0	37	-1.0	-37.32	302.45	3.55	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300025571044	0	35	-1.0	-39.51	315.13	4.82	-34.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300025571045	0	33	-1.0	-39.24	306.49	2.99	-36.25
CC(C)(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025571046	0	43	-1.0	-36.71	345.96	4.71	-32.00
CCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571047	0	35	-1.0	-36.34	321.58	1.85	-34.49
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025571048	0	30	-1.0	-38.18	284.69	2.57	-35.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NC3=CC=CC=C3N2)C=C1	REAL300025571049	0	41	-1.0	-41.20	372.16	4.90	-36.30
CC1=CSC(SCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025571050	0	37	-1.0	-40.74	350.67	3.61	-37.13
N#CC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571051	0	33	-1.0	-42.73	320.66	-2.18	-44.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300025571052	0	30	-1.0	-41.19	294.96	-1.01	-42.20
CCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025571053	0	37	-1.0	-38.55	325.83	1.70	-36.85
O=C(CCN1C(=O)C2CCCCC2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571054	0	40	-1.0	-40.56	334.78	1.40	-39.16
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2CC=CCC2C1=O	REAL300025571055	0	47	-1.0	-40.29	378.49	4.86	-35.43
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571056	0	43	-1.0	-36.29	368.26	3.43	-32.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CCC3=CC=CC=C3)C(=O)C2=C1	REAL300025571057	0	44	-1.0	-37.56	390.20	5.10	-32.46
O=C(CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571058	0	43	-1.0	-41.24	369.75	6.08	-35.16
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571059	0	40	-1.0	-38.77	343.62	2.41	-36.36
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1	REAL300025571060	0	41	-1.0	-37.86	372.34	6.29	-31.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300025571061	0	41	-1.0	-37.94	362.02	5.84	-32.10
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571062	0	45	-1.0	-39.97	385.06	5.07	-34.90
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025571063	0	32	-1.0	-36.30	299.73	0.90	-35.40
N#CC1=CC=CC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571064	0	33	-1.0	-43.83	320.69	-2.18	-46.01
CC1=C(C)C2=C(NC(CSC(C)C(=O)NCC3=NC(=O)O[N-]3)=NC2=O)S1	REAL300025571065	0	42	-1.0	-56.99	381.10	2.14	-54.85
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025571066	0	44	-1.0	-38.68	371.99	3.85	-34.83
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1)C1=CC=CC=C1	REAL300025571067	0	38	-1.0	-38.14	336.76	5.40	-32.74
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CS1	REAL300025571068	0	35	-1.0	-48.23	310.42	1.35	-46.88
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])CC1	REAL300025571069	0	44	-1.0	-37.41	364.77	4.88	-32.53
CC1=CC(=O)OC2=CC(OCC(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025571070	0	36	-1.0	-47.14	320.50	3.69	-43.45
O=C(CCN1C2=CC=CC=C2SC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571071	0	41	-1.0	-38.73	352.18	5.60	-33.13
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571072	0	40	-1.0	-36.25	338.67	1.88	-34.37
O=C(CCSC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025571073	0	31	-1.0	-37.07	300.96	3.45	-33.62
O=C(COC1=CC=C(Br)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025571074	0	28	-1.0	-38.47	291.99	2.77	-35.70
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300025571075	0	35	-1.0	-41.83	314.70	2.34	-39.49
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571076	0	33	-1.0	-38.32	311.05	3.33	-34.99
CC1(C2CC2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025571077	0	36	-1.0	-42.88	315.46	-0.31	-43.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC2=CC=CC=C21	REAL300025571078	0	29	-1.0	-36.54	274.17	1.85	-34.69
CC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571079	0	46	-1.0	-49.58	406.35	1.21	-48.37
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571080	0	43	-1.0	-37.62	347.47	4.56	-33.06
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571081	0	47	-1.0	-40.80	402.66	6.91	-33.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL300025571082	0	35	-1.0	-47.07	308.31	1.53	-45.54
CCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025571083	0	41	-1.0	-35.91	364.94	3.58	-32.33
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025571084	0	33	-1.0	-41.30	299.28	0.32	-40.98
CC(=O)C1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025571085	0	36	-1.0	-46.85	325.81	3.20	-43.65
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571086	0	44	-1.0	-42.26	364.83	4.93	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300025571087	0	33	-1.0	-45.85	319.12	2.35	-43.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCS2)C=C1	REAL300025571088	0	33	-1.0	-38.86	307.94	4.11	-34.75
O=C(CSC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571089	0	41	-1.0	-37.74	378.57	6.92	-30.82
CS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571090	0	33	-1.0	-49.56	306.15	-0.76	-50.32
CCN1C(=O)C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025571091	0	36	-1.0	-40.82	315.60	0.66	-40.16
CC1=NOC(C)=C1COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571092	0	43	-1.0	-41.55	374.30	3.78	-37.77
O=C(CSCC1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025571093	0	31	-1.0	-38.38	306.91	3.61	-34.77
O=C(CSCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571094	0	31	-1.0	-37.89	306.91	3.62	-34.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=CC=C2)C=C1	REAL300025571095	0	38	-1.0	-38.57	342.72	5.95	-32.62
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571096	0	46	-1.0	-36.39	364.33	2.94	-33.45
CCCCCCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025571097	0	47	-1.0	-38.24	392.95	4.52	-33.72
CC(C)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571098	0	40	-1.0	-36.16	332.95	3.39	-32.77
CCCCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571099	0	43	-1.0	-36.22	358.38	4.43	-31.79
COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571100	0	45	-1.0	-41.38	385.37	2.69	-38.69
CSCCC(NS(=O)(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571101	0	42	-1.0	-45.31	385.19	0.14	-45.17
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571102	0	43	-1.0	-38.33	356.00	2.46	-35.87
CC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL300025571103	0	43	-1.0	-37.22	348.04	2.49	-34.73
CC(C)C(NC(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571104	0	42	-1.0	-37.62	372.37	3.05	-34.57
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025571105	0	45	-1.0	-38.91	388.21	-1.20	-40.11
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571106	0	41	-1.0	-42.46	356.17	-0.27	-42.73
O=C(CNS(=O)(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571107	0	32	-1.0	-40.02	321.14	-1.94	-41.96
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025571108	0	44	-1.0	-39.89	364.12	0.21	-39.68
O=C(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025571109	0	32	-1.0	-40.15	331.77	-1.59	-41.74
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025571110	0	33	-1.0	-40.95	310.55	2.82	-38.13
CCC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571111	0	38	-1.0	-38.46	330.26	3.80	-34.66
CCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025571112	0	46	-1.0	-41.12	389.66	3.42	-37.70
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025571113	0	36	-1.0	-44.65	330.40	0.84	-43.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(Br)S1	REAL300025571114	0	21	-1.0	-33.02	254.97	1.35	-31.67
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025571115	0	34	-1.0	-38.73	294.73	0.09	-38.64
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C(C#N)C(=O)N1	REAL300025571116	0	37	-1.0	-47.25	322.18	0.59	-46.66
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025571117	0	30	-1.0	-38.80	278.66	3.08	-35.72
CC1=CC=CC(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)=C1	REAL300025571118	0	36	-1.0	-42.52	330.84	3.35	-39.17
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025571119	0	28	-1.0	-36.47	270.93	1.02	-35.45
COC1=CC=C(C2=NNC(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571120	0	41	-1.0	-41.33	364.08	3.29	-38.04
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571120	1	40	-2.0	-87.41	360.65	3.13	-84.28
CC1CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1S(C)(=O)=O	REAL300025571121	0	39	-1.0	-44.72	334.92	0.59	-44.13
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025571122	0	42	-1.0	-35.91	311.42	0.29	-35.62
O=C(CCC(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025571123	0	38	-1.0	-39.83	333.40	4.62	-35.21
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571124	0	34	-1.0	-43.14	324.52	-1.45	-44.59
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025571125	0	45	-1.0	-41.05	380.76	1.59	-39.46
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025571126	0	32	-1.0	-39.26	289.49	0.53	-38.73
O=C(CCC1=NC(=O)C2=C(N1)SC1=C2CCCC1)NCC1=NC(=O)O[N-]1	REAL300025571127	0	42	-1.0	-49.33	363.81	2.29	-47.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025571128	0	38	-1.0	-37.75	332.29	4.34	-33.41
CCCCCOC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571129	0	48	-1.0	-38.72	403.02	4.96	-33.76
CC1=CC=C(NS(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025571130	0	42	-1.0	-40.01	377.52	1.56	-38.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025571130	1	41	-2.0	-84.98	371.06	1.67	-83.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300025571131	0	39	-1.0	-40.15	356.11	0.88	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025571131	1	38	-2.0	-84.32	349.66	1.00	-83.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2F)C=C1	REAL300025571132	0	39	-1.0	-39.42	355.92	1.01	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=C(F)C=C2)C=C1	REAL300025571133	0	39	-1.0	-40.88	362.54	0.95	-39.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300025571133	1	38	-2.0	-78.82	356.09	1.07	-77.75
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025571134	0	30	-1.0	-42.54	288.68	1.30	-41.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2=CC=CS2)=C1	REAL300025571135	0	39	-1.0	-42.47	368.88	0.16	-42.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300025571136	0	36	-1.0	-40.07	330.08	-1.11	-41.18
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571137	0	38	-1.0	-37.23	336.56	0.71	-36.52
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CC1	REAL300025571138	0	40	-1.0	-42.86	358.28	-1.32	-44.18
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025571139	0	37	-2.0	-94.75	350.60	0.16	-94.59
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571140	0	32	-1.0	-40.64	297.68	-2.78	-43.42
CC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025571141	0	38	-1.0	-39.13	325.74	3.56	-35.57
O=C(CN1C=C(Br)C(=O)NC1=O)NCC1=NC(=O)O[N-]1	REAL300025571142	0	27	-1.0	-43.30	275.24	-1.80	-45.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300025571143	0	40	-1.0	-36.46	322.91	4.84	-31.62
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571144	0	39	-1.0	-42.59	336.33	0.22	-42.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NS(=O)(=O)C3=CC=CC=C32)C=C1	REAL300025571145	0	40	-1.0	-53.96	362.43	1.06	-52.90
CC1=CC=CC=C1NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571146	0	42	-1.0	-40.00	368.05	1.72	-38.28
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571146	1	41	-2.0	-84.34	369.57	1.77	-82.57
COC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571147	0	40	-1.0	-43.23	358.58	-3.36	-46.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2=O)=C1	REAL300025571148	0	35	-1.0	-49.36	298.41	2.17	-47.19
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025571149	0	35	-2.0	-86.24	326.50	2.31	-83.93
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)NCC1=NC(=O)O[N-]1	REAL300025571149	1	36	-1.0	-46.40	329.59	2.74	-43.66
COC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025571150	0	37	-1.0	-37.46	334.42	1.89	-35.57
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025571151	0	41	-1.0	-38.89	368.97	6.23	-32.66
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571152	0	39	-1.0	-41.71	330.75	3.15	-38.56
CCS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571153	0	38	-1.0	-40.82	323.23	-1.40	-42.22
O=C(CC1=CSC(N2CCCC2=O)=N1)NCC1=NC(=O)O[N-]1	REAL300025571154	0	34	-1.0	-51.55	313.77	1.18	-50.37
CC1=CC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1C(F)(F)F	REAL300025571155	0	39	-1.0	-55.08	350.02	5.17	-49.91
O=C(CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571156	0	38	-1.0	-46.03	349.91	3.49	-42.54
COC1=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025571157	0	39	-1.0	-41.00	348.46	-0.97	-41.97
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)NCC1=NC(=O)O[N-]1	REAL300025571158	0	35	-1.0	-41.81	317.18	0.37	-41.44
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571159	0	42	-1.0	-44.91	376.38	-2.51	-47.42
O=C(CN1C2=CC=CC=C2OCCC1=O)NCC1=NC(=O)O[N-]1	REAL300025571160	0	36	-1.0	-42.91	308.71	1.12	-41.79
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571161	0	40	-1.0	-42.72	341.16	3.80	-38.92
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571162	0	41	-1.0	-39.32	343.09	1.30	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300025571163	0	41	-1.0	-44.54	345.48	4.17	-40.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NC2=CC=CC=C21	REAL300025571164	0	39	-1.0	-37.20	341.05	5.16	-32.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1	REAL300025571165	0	36	-1.0	-39.57	317.73	4.31	-35.26
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025571166	0	32	-1.0	-38.60	285.90	0.51	-38.09
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571167	0	34	-1.0	-43.05	311.99	1.31	-41.74
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571168	0	41	-1.0	-38.35	358.05	2.26	-36.09
CCOC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025571169	0	47	-1.0	-37.76	382.99	2.12	-35.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC3=CC=CC=C32)=NC2=CC=CC=C21	REAL300025571170	0	45	-1.0	-40.52	381.14	7.51	-33.01
O=C(CCCC1=NC2=CC=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025571171	0	35	-1.0	-42.27	320.31	2.74	-39.53
O=C(CCC(=O)C1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025571172	0	38	-1.0	-41.78	331.81	1.52	-40.26
CC1=CC=C(C)C(N2C(=O)C3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3C2=O)=C1	REAL300025571173	0	44	-1.0	-40.25	387.75	5.55	-34.70
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1C1=CC=CC=C1	REAL300025571174	0	40	-1.0	-41.81	349.87	5.60	-36.21
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025571175	0	35	-1.0	-38.44	306.96	1.42	-37.02
CC(=O)CCC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025571176	0	41	-1.0	-42.47	357.68	4.26	-38.21
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025571177	0	30	-1.0	-36.87	291.40	2.75	-34.12
CC1=CC=C(S(=O)(=O)NC(CC(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571178	0	47	-1.0	-38.58	397.10	1.06	-37.52
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571179	0	35	-1.0	-42.94	329.12	-0.44	-43.38
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571180	0	33	-1.0	-42.62	309.42	2.68	-39.94
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1	REAL300025571181	0	38	-1.0	-58.76	333.32	-1.13	-59.89
CC1=NN(C2=CC=CC(Cl)=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025571182	0	37	-1.0	-40.35	359.05	4.66	-35.69
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571183	0	33	-1.0	-47.32	309.81	-2.60	-49.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025571184	0	39	-1.0	-40.48	352.37	0.96	-39.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025571184	1	38	-2.0	-90.04	349.66	1.00	-89.04
CC(C)(C)C1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025571185	0	55	-1.0	-36.93	417.68	5.24	-31.69
CSCCC(NC(=O)C1=CC=CO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571186	0	38	-1.0	-38.94	342.27	0.25	-38.69
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025571187	0	35	-1.0	-41.52	338.62	-1.40	-42.92
CCCCOC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025571188	0	44	-1.0	-35.80	386.44	4.36	-31.44
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025571189	0	35	-1.0	-51.05	311.65	0.55	-50.50
CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571190	0	47	-1.0	-36.43	385.91	2.72	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300025571191	0	40	-1.0	-38.63	336.14	6.20	-32.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300025571192	0	41	-1.0	-34.97	352.89	6.96	-28.01
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571193	0	43	-1.0	-37.16	346.54	2.42	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025571194	0	21	-1.0	-34.76	234.91	0.78	-33.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300025571195	0	40	-1.0	-40.50	349.44	-1.39	-41.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300025571196	0	42	-1.0	-39.57	358.19	1.05	-38.52
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571197	0	41	-1.0	-39.77	357.81	0.77	-39.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCCC2)C=C1	REAL300025571198	0	45	-1.0	-39.92	372.49	1.95	-37.97
CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025571199	0	38	-1.0	-37.78	323.45	2.09	-35.69
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300025571200	0	38	-1.0	-35.60	301.92	3.44	-32.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)S1	REAL300025571201	0	33	-1.0	-39.84	327.09	3.39	-36.45
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571202	0	35	-1.0	-40.30	317.40	-0.99	-41.29
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CO1	REAL300025571203	0	38	-1.0	-46.97	335.87	1.99	-44.98
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025571204	0	41	-1.0	-36.35	321.18	4.19	-32.16
CSCCC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025571205	0	41	-1.0	-45.83	369.52	4.45	-41.38
CC1=CC=C(C23CC4CC(CC(C(=O)NCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025571206	0	51	-1.0	-37.34	379.73	6.80	-30.54
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571207	0	41	-1.0	-40.19	354.15	6.10	-34.09
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571208	0	37	-1.0	-44.22	340.31	-2.18	-46.40
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025571209	0	47	-1.0	-40.91	398.34	7.04	-33.87
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571210	0	39	-1.0	-42.55	326.13	-0.22	-42.77
CC1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025571211	0	42	-1.0	-43.58	342.14	0.05	-43.53
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025571212	0	54	-1.0	-42.01	409.06	2.27	-39.74
CC1=CC=C(C2(C)NC(=O)N(CC(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025571213	0	42	-1.0	-43.11	362.31	1.41	-41.70
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025571214	0	45	-1.0	-42.22	365.10	1.05	-41.17
CC1=CC=CC(NS(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025571215	0	42	-1.0	-41.37	377.64	1.54	-39.83
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025571215	1	41	-2.0	-90.07	371.08	1.67	-88.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1	REAL300025571216	0	39	-1.0	-40.86	362.56	0.94	-39.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300025571216	1	38	-2.0	-83.11	356.11	1.05	-82.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1	REAL300025571217	0	32	-1.0	-44.48	297.85	4.67	-39.81
O=C(CN1C=NC2=C(C=C(C3=CC=CC=C3)S2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571218	0	39	-1.0	-47.25	358.91	4.97	-42.28
O=C(CC1=CSC(NC(=O)C2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571219	0	34	-1.0	-43.19	333.34	0.99	-42.20
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571220	0	34	-1.0	-44.26	325.45	-0.01	-44.27
CC1=NC2=CC=CC=C2C(=O)N1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571221	0	42	-1.0	-42.46	367.34	5.06	-37.40
CCOC1=CC=C(NC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571222	0	42	-1.0	-38.48	354.49	3.87	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1Br	REAL300025571223	0	24	-1.0	-36.56	243.80	1.74	-34.82
CC1=NOC(C)=C1S(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571224	0	34	-1.0	-40.80	313.03	-3.60	-44.40
CC(C)(C)OC(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571225	0	40	-1.0	-39.42	333.75	-0.71	-40.13
CON(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571226	0	36	-1.0	-40.04	328.22	-0.97	-41.01
CN(C1CCCCC1)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571227	0	48	-1.0	-39.52	395.85	2.33	-37.19
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025571228	0	35	-1.0	-40.53	318.69	-1.50	-42.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300025571229	0	30	-1.0	-38.08	297.84	3.96	-34.12
O=C(CCC1=NC(C2=CSC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571230	0	32	-1.0	-39.00	308.25	0.06	-38.94
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)NCC1=NC(=O)O[N-]1	REAL300025571231	0	35	-1.0	-45.63	320.43	1.16	-44.47
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571232	0	44	-1.0	-39.21	369.02	1.50	-37.71
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571233	0	44	-1.0	-39.08	382.13	6.02	-33.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300025571234	0	41	-1.0	-40.01	365.33	7.14	-32.87
NC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300025571235	0	47	-1.0	-43.47	395.53	0.85	-42.62
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571236	0	36	-1.0	-43.70	306.65	1.25	-42.45
CCOC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571237	0	42	-1.0	-42.47	373.25	-1.70	-44.17
CC1=NN(CC2=CC=C(F)C=C2)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025571238	0	40	-1.0	-38.86	372.90	4.68	-34.18
O=C(CSC1=CC=C2CCC3=C2C1=CC=C3)NCC1=NC(=O)O[N-]1	REAL300025571239	0	38	-1.0	-40.26	332.40	5.49	-34.77
CCOC1=CC=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571240	0	39	-1.0	-41.30	351.19	-2.34	-43.64
CCOC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571241	0	35	-1.0	-36.30	325.85	1.97	-34.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025571242	0	41	-1.0	-38.90	362.72	4.56	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025571243	0	41	-1.0	-40.22	355.11	3.40	-36.82
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571244	0	38	-1.0	-40.83	336.00	-0.99	-41.82
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571245	0	41	-1.0	-42.93	358.05	-0.36	-43.29
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300025571246	0	42	-1.0	-38.74	355.33	5.75	-32.99
CC1=CC=C2C(=O)N(CC(=O)NCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025571247	0	34	-1.0	-44.73	312.34	1.58	-43.15
COC1=CC=C(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571248	0	43	-1.0	-44.37	380.62	-2.72	-47.09
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571249	0	41	-1.0	-45.21	341.18	1.81	-43.40
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571250	0	54	-1.0	-36.39	395.96	3.77	-32.62
COC1=CC=C(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025571251	0	44	-1.0	-37.94	361.83	1.09	-36.85
CCOC1=CC=CC=C1C(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C	REAL300025571252	0	47	-1.0	-41.94	384.90	3.60	-38.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC=C1	REAL300025571253	0	36	-1.0	-39.16	309.85	3.58	-35.58
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300025571254	0	47	-1.0	-44.24	383.43	5.15	-39.09
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300025571255	0	47	-1.0	-48.33	382.80	5.09	-43.24
CC(C)(C)OC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025571256	0	44	-1.0	-41.33	349.95	1.95	-39.38
COC1=CC(OC)=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571257	0	38	-1.0	-39.03	326.15	1.14	-37.89
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571258	0	44	-1.0	-45.37	372.91	2.45	-42.92
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025571259	0	37	-1.0	-41.55	335.82	4.53	-37.02
CC1=CC=C(CN2N=CC3=C(C(=O)NCC4=NC(=O)O[N-]4)C=C(C)N=C32)C=C1	REAL300025571260	0	45	-1.0	-37.65	387.84	5.28	-32.37
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300025571261	0	46	-1.0	-38.32	394.68	4.19	-34.13
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(Br)C=C12	REAL300025571262	0	28	-1.0	-41.25	274.82	1.64	-39.61
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571263	0	40	-1.0	-46.14	349.97	0.97	-45.17
CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025571264	0	48	-1.0	-43.31	379.09	1.13	-42.18
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025571265	0	42	-1.0	-36.49	355.48	3.74	-32.75
O=C(CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571266	0	45	-1.0	-52.80	396.44	0.41	-52.39
CC(C)[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571267	0	42	-1.0	-46.53	360.59	-0.50	-47.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2S1	REAL300025571268	0	29	-1.0	-36.72	288.27	3.11	-33.61
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCC1=NC(=O)O[N-]1	REAL300025571269	0	48	-1.0	-42.50	367.03	2.11	-40.39
CCC1=C(C(=O)OC)C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025571270	0	37	-1.0	-38.35	325.63	1.52	-36.83
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571271	0	40	-1.0	-41.43	363.83	4.07	-37.36
CCOC1=CC=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025571272	0	37	-1.0	-38.91	321.53	2.35	-36.56
CC(C)CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025571273	0	41	-1.0	-38.01	342.62	2.69	-35.32
CCCCCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025571274	0	44	-1.0	-38.20	371.45	3.73	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1	REAL300025571275	0	41	-1.0	-43.70	344.97	1.14	-42.56
O=C(CCCNC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571276	0	37	-1.0	-41.97	323.73	0.98	-40.99
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025571277	0	39	-1.0	-40.69	341.53	4.04	-36.65
COC1=CC=C(C(C)=O)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571278	0	36	-1.0	-44.67	314.33	1.48	-43.19
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C21	REAL300025571279	0	45	-1.0	-37.37	382.49	5.34	-32.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300025571280	0	38	-1.0	-38.48	329.83	4.11	-34.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300025571281	0	36	-1.0	-41.39	330.12	-1.12	-42.51
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025571282	0	44	-1.0	-40.70	381.25	6.24	-34.46
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=C1C(=O)N(C)C=N2	REAL300025571283	0	32	-1.0	-45.76	293.53	1.56	-44.20
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571284	0	37	-1.0	-42.96	335.85	4.09	-38.87
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571284	1	36	-2.0	-94.61	332.78	3.94	-90.67
O=C(CN1C(=S)NN=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571285	0	31	-1.0	-42.57	307.39	2.59	-39.98
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571285	1	30	-2.0	-92.53	303.94	2.43	-90.10
CCOC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571286	0	35	-1.0	-39.66	310.07	0.21	-39.45
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300025571287	0	42	-1.0	-40.27	365.70	0.94	-39.33
O=C(CCNC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025571288	0	37	-1.0	-38.14	342.40	2.55	-35.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025571289	0	35	-1.0	-36.84	309.75	3.92	-32.92
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OCC)=C1OCC	REAL300025571290	0	45	-1.0	-36.56	378.48	2.99	-33.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025571291	0	24	-1.0	-34.53	248.90	2.15	-32.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=C(C(F)(F)F)C=C1	REAL300025571292	0	37	-1.0	-37.90	334.09	5.63	-32.27
O=C(CCCOC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025571293	0	34	-1.0	-39.05	329.88	3.19	-35.86
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571294	0	31	-1.0	-37.74	304.07	3.27	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)C3=CC=CC=C3S(=O)(=O)C2=C1	REAL300025571295	0	37	-1.0	-43.40	341.61	0.82	-42.58
O=C(CCCC1=CNC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025571296	0	37	-1.0	-40.96	320.55	3.37	-37.59
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571297	0	41	-1.0	-41.29	357.88	0.76	-40.53
CC1=CC=CC(C(=O)NC(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025571298	0	43	-1.0	-37.78	352.48	2.56	-35.22
CC(C)C(NC(=O)C1=CC=CC=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571299	0	40	-1.0	-38.41	347.35	2.52	-35.89
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025571300	0	38	-1.0	-37.71	319.50	1.79	-35.92
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571301	0	37	-1.0	-40.46	340.44	1.50	-38.96
O=C(CN1C(=O)C2CCCCC2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571302	0	37	-1.0	-42.00	313.76	0.99	-41.01
CCC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571303	0	43	-1.0	-35.57	363.26	2.93	-32.64
CC1CCCC(C)N1C(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571304	0	51	-1.0	-42.05	394.48	4.58	-37.47
CCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025571305	0	44	-1.0	-37.22	366.45	3.69	-33.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1	REAL300025571306	0	31	-1.0	-36.42	316.99	3.75	-32.67
COC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025571307	0	38	-1.0	-40.03	326.20	1.78	-38.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL300025571308	0	31	-1.0	-41.93	301.77	3.36	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCCC2)C=CS1	REAL300025571309	0	39	-1.0	-47.45	340.28	1.01	-46.44
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1	REAL300025571310	0	44	-1.0	-45.31	358.16	4.93	-40.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1	REAL300025571311	0	37	-1.0	-47.61	327.89	1.31	-46.30
CSC1=NC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025571312	0	26	-1.0	-38.77	269.07	0.18	-38.59
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571313	0	43	-1.0	-43.74	365.23	0.44	-43.30
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300025571314	0	34	-1.0	-43.18	316.19	1.89	-41.29
CC1=CC=CC=C1N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025571315	0	37	-1.0	-38.87	332.04	3.86	-35.01
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300025571316	0	33	-1.0	-37.73	307.52	1.66	-36.07
COC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025571317	0	36	-1.0	-38.20	308.05	1.40	-36.80
O=C(COC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571318	0	45	-1.0	-44.53	371.47	3.79	-40.74
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571319	0	32	-1.0	-42.72	303.38	-2.92	-45.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025571320	0	29	-2.0	-75.12	285.15	-0.31	-75.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)NC2=C1	REAL300025571320	1	30	-1.0	-38.28	288.25	0.12	-38.16
CC1CN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)CC(C)O1	REAL300025571321	0	42	-1.0	-38.29	345.14	0.73	-37.56
O=C(CN1C=C(Br)C=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025571322	0	27	-1.0	-42.59	271.21	0.93	-41.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300025571323	0	41	-1.0	-41.62	369.18	3.76	-37.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300025571324	0	31	-1.0	-35.68	299.30	1.60	-34.08
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571325	0	34	-1.0	-42.97	313.39	-0.71	-43.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300025571326	0	31	-1.0	-37.57	291.96	1.75	-35.82
CCOC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025571327	0	37	-1.0	-41.15	339.67	2.09	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300025571328	0	36	-1.0	-42.98	329.72	-1.76	-44.74
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571329	0	39	-1.0	-42.85	344.68	2.83	-40.02
COC1=CC=C(C(=O)NCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571330	0	41	-1.0	-42.22	353.13	0.28	-41.94
COC1=CC=C2OCC(C(=O)NCC3=NC(=O)O[N-]3)CC2=C1	REAL300025571331	0	36	-1.0	-36.99	305.27	0.86	-36.13
O=C(CNS(=O)(=O)C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571332	0	29	-1.0	-40.75	291.78	-3.56	-44.31
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571333	0	45	-1.0	-44.84	369.16	2.95	-41.89
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=N1	REAL300025571334	0	30	-1.0	-45.39	294.19	1.40	-43.99
COC1=CC2=C(C=C1OC)C(=O)N(CCCC(=O)NCC1=NC(=O)O[N-]1)C=N2	REAL300025571335	0	46	-1.0	-48.77	392.43	2.72	-46.05
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1	REAL300025571336	0	37	-1.0	-39.14	338.63	4.58	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300025571337	0	38	-1.0	-37.93	324.63	3.32	-34.61
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571338	0	40	-1.0	-36.00	348.99	2.33	-33.67
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025571339	0	40	-1.0	-41.55	350.50	3.95	-37.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300025571340	0	38	-1.0	-40.35	315.79	3.53	-36.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NC3=CC=CC=C3S2)C=C1	REAL300025571341	0	40	-1.0	-40.32	377.91	5.62	-34.70
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=C1C(=O)CC(C)(C)C2	REAL300025571342	0	40	-1.0	-40.75	327.23	1.98	-38.77
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025571343	0	36	-2.0	-77.27	336.54	2.89	-74.38
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025571343	1	37	-1.0	-37.46	339.64	3.32	-34.14
O=C(CC1=NNC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571344	0	32	-1.0	-46.06	287.25	-0.22	-46.28
CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025571345	0	43	-1.0	-39.53	374.53	4.22	-35.31
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300025571346	0	35	-1.0	-40.82	323.43	3.95	-36.87
CCN1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025571347	0	37	-1.0	-46.15	327.15	3.41	-42.74
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571348	0	44	-1.0	-43.62	373.91	1.44	-42.18
COCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571349	0	39	-1.0	-45.46	364.63	-2.31	-47.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1Cl	REAL300025571350	0	39	-1.0	-43.45	355.62	0.69	-42.76
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571351	0	32	-1.0	-43.81	310.22	-2.27	-46.08
CC(C)N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571352	0	41	-1.0	-42.56	367.58	0.94	-41.62
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571353	0	46	-1.0	-43.41	378.34	2.49	-40.92
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025571354	0	37	-1.0	-38.12	316.30	4.99	-33.13
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(C)C	REAL300025571355	0	41	-1.0	-37.51	343.20	2.65	-34.86
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571356	0	47	-1.0	-39.95	398.49	7.21	-32.74
O=C(CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571357	0	42	-1.0	-39.71	361.36	5.77	-33.94
O=C(CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571358	0	44	-1.0	-43.94	380.32	4.58	-39.36
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025571359	0	41	-1.0	-43.38	364.63	4.27	-39.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025571360	0	39	-2.0	-97.14	348.34	-0.28	-97.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1O	REAL300025571360	1	40	-1.0	-45.07	351.83	-1.27	-46.34
CN(C1CCCCC1)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571361	0	48	-1.0	-40.76	395.88	2.33	-38.43
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CC=C1	REAL300025571362	0	42	-1.0	-39.01	361.50	4.23	-34.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300025571363	0	45	-1.0	-41.40	368.78	1.74	-39.66
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300025571364	0	30	-1.0	-41.85	288.39	1.86	-39.99
O=C(CCC1=CC=C(S(=O)(=O)N2CCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571365	0	45	-1.0	-42.26	389.61	1.65	-40.61
O=C(CNC(=O)CC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571366	0	40	-1.0	-41.06	347.40	2.35	-38.71
O=C(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025571367	0	32	-1.0	-41.32	321.99	-1.32	-42.64
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025571367	1	31	-2.0	-93.89	322.26	-1.65	-95.54
COC1=CC=C(C2(C)NC(=O)N(CC(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025571368	0	43	-1.0	-43.69	370.39	0.05	-43.64
CC1CN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025571369	0	46	-1.0	-39.92	385.94	0.10	-39.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2)=C1	REAL300025571370	0	39	-1.0	-40.03	349.33	0.42	-39.61
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025571371	0	41	-1.0	-40.12	355.60	5.77	-34.35
O=C(CCN1C=NC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571372	0	35	-1.0	-44.02	312.43	2.69	-41.33
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCOCC2)C=CS1	REAL300025571373	0	37	-1.0	-47.66	332.34	-1.41	-49.07
CC1=CC(Br)=CC=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571374	0	31	-1.0	-36.02	304.06	3.38	-32.64
O=C(CCNS(=O)(=O)C1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025571375	0	45	-1.0	-42.55	384.62	0.57	-41.98
CS(=O)(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025571376	0	36	-1.0	-45.32	319.34	-0.23	-45.55
O=C(CCCN1C(=O)OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571377	0	36	-1.0	-46.14	321.74	2.82	-43.32
CC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571378	0	45	-1.0	-39.27	365.30	1.61	-37.66
CCOC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571379	0	41	-1.0	-39.46	348.47	2.33	-37.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=C(SC(F)F)C=C1	REAL300025571380	0	40	-1.0	-41.77	359.68	4.85	-36.92
COC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025571381	0	42	-1.0	-40.54	359.06	1.65	-38.89
COC1=CC(OC)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571382	0	36	-1.0	-41.50	306.99	0.85	-40.65
O=C(CNC(=O)C1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025571383	0	31	-1.0	-38.48	301.39	0.15	-38.33
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300025571384	0	41	-1.0	-40.30	347.82	5.89	-34.41
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300025571385	0	37	-1.0	-41.59	321.45	0.22	-41.37
N#CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025571386	0	39	-1.0	-38.87	333.81	2.00	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300025571387	0	38	-1.0	-44.11	336.03	4.09	-40.02
CC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C=NN(C(C)C)C3=N2)S1	REAL300025571388	0	45	-1.0	-37.82	397.17	5.20	-32.62
CC1=CC(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300025571389	0	41	-1.0	-36.12	355.72	1.91	-34.21
CC1=NOC2=NC(C(C)C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571390	0	37	-1.0	-35.32	315.77	-0.21	-35.53
CC1=CC(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)S1	REAL300025571391	0	41	-1.0	-34.37	357.43	3.09	-31.28
CC1=CC=C(C)N1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571392	0	38	-1.0	-36.04	329.08	5.10	-30.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300025571393	0	36	-1.0	-37.88	330.04	6.22	-31.66
CC1=CC=C(C2=CN=C(CCC(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025571394	0	39	-1.0	-39.42	343.74	1.69	-37.73
O=C(CCC1=NC(=O)C2=C(N1)SC1=C2CCC1)NCC1=NC(=O)O[N-]1	REAL300025571395	0	39	-1.0	-50.88	348.87	1.68	-49.20
CC1OC2=CC=CC=C2N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025571396	0	36	-1.0	-43.18	312.52	1.18	-42.00
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CO2)=C1	REAL300025571397	0	35	-1.0	-45.42	326.22	0.88	-44.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NN1C1=CC=CC=C1	REAL300025571398	0	38	-1.0	-35.55	337.04	4.93	-30.62
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=N1	REAL300025571399	0	30	-1.0	-40.93	299.71	1.37	-39.56
CC1=CC=C(C)N1C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571400	0	38	-1.0	-38.48	340.09	5.55	-32.93
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300025571401	0	31	-1.0	-37.55	293.73	1.59	-35.96
O=C(CN1C(=O)NC(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571402	0	33	-1.0	-43.00	296.87	-0.38	-43.38
O=C(CN1C(COC2=CC=CC=C2)=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571403	0	44	-1.0	-46.22	382.74	5.07	-41.15
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300025571404	0	34	-1.0	-39.81	322.00	3.09	-36.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300025571405	0	31	-1.0	-38.20	294.93	1.74	-36.46
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(N2CCOCC2)=N1	REAL300025571406	0	45	-1.0	-45.18	370.37	1.85	-43.33
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025571406	1	44	-2.0	-90.45	368.17	0.98	-89.47
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300025571407	0	38	-1.0	-46.15	327.97	3.96	-42.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL300025571408	0	34	-1.0	-47.36	293.47	-0.22	-47.58
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571409	0	37	-1.0	-38.96	352.61	3.58	-35.38
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025571410	0	40	-1.0	-43.03	345.78	2.11	-40.92
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025571411	0	37	-1.0	-42.10	341.19	1.88	-40.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)N=C1	REAL300025571412	0	36	-1.0	-38.64	302.78	-0.74	-39.38
CC(C)N1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025571413	0	35	-1.0	-38.71	308.19	1.76	-36.95
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL300025571414	0	38	-1.0	-37.05	324.45	2.43	-34.62
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C=CO1	REAL300025571415	0	35	-1.0	-39.07	313.81	2.39	-36.68
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)NCC1=NC(=O)O[N-]1)=C2C	REAL300025571416	0	42	-1.0	-47.65	357.35	3.74	-43.91
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL300025571417	0	41	-1.0	-41.28	342.99	-0.08	-41.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL300025571418	0	32	-1.0	-45.50	300.31	0.64	-44.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CC(C1=CC=CC=C1)OC2=O	REAL300025571419	0	41	-1.0	-39.55	356.79	5.75	-33.80
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300025571420	0	31	-1.0	-37.76	283.42	1.14	-36.62
CN1C=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571421	0	30	-1.0	-45.10	283.05	-4.64	-49.74
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571422	0	35	-1.0	-37.21	317.35	-0.24	-37.45
CC1=NC(COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025571423	0	36	-1.0	-41.64	323.87	-0.15	-41.79
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C1CC1	REAL300025571424	0	42	-1.0	-46.21	357.96	3.92	-42.29
O=C(CC1SC2=CC=C(C(F)(F)F)C=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025571425	0	36	-1.0	-37.82	340.82	1.71	-36.11
O=C(CC1SC2=CC=C(Cl)C=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025571426	0	33	-1.0	-37.57	318.88	1.23	-36.34
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300025571427	0	35	-1.0	-44.39	300.35	2.02	-42.37
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300025571428	0	30	-1.0	-41.12	295.15	1.27	-39.85
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571429	0	35	-1.0	-43.86	313.77	-2.10	-45.96
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571430	0	39	-1.0	-44.06	346.18	-0.43	-44.49
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571431	0	32	-1.0	-35.17	285.08	2.17	-33.00
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025571432	0	31	-1.0	-37.27	286.99	0.33	-36.94
C#CCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571433	0	34	-1.0	-41.11	324.50	-1.44	-42.55
COCCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571434	0	39	-1.0	-41.00	352.09	-2.84	-43.84
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571435	0	41	-1.0	-39.75	355.05	0.43	-39.32
CC1CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025571436	0	46	-1.0	-37.59	367.78	1.92	-35.67
CC1C[NH+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025571436	1	47	0.0	-65.25	374.36	3.84	-61.41
CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571437	0	35	-1.0	-34.60	301.47	0.08	-34.52
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(N)=O	REAL300025571438	0	36	-1.0	-43.23	338.31	-1.12	-44.35
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571439	0	36	-1.0	-48.56	313.80	3.57	-44.99
CC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300025571440	0	48	-1.0	-37.57	404.32	6.10	-31.47
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300025571441	0	38	-1.0	-37.18	327.40	2.31	-34.87
CC1=CC=CC=C1N1C=CN=C1SCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571442	0	38	-1.0	-40.13	342.46	4.47	-35.66
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C21	REAL300025571443	0	42	-1.0	-38.72	367.42	3.46	-35.26
CC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C21	REAL300025571444	0	42	-1.0	-37.58	375.29	4.40	-33.18
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571445	0	33	-1.0	-46.74	300.54	2.34	-44.40
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)NCC1=NC(=O)O[N-]1	REAL300025571446	0	36	-1.0	-38.77	355.83	2.09	-36.68
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025571447	0	36	-1.0	-40.68	329.85	1.09	-39.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCNC(=O)C2)C=C1	REAL300025571448	0	40	-1.0	-45.93	355.01	-2.90	-48.83
CS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571449	0	35	-1.0	-45.71	301.27	-2.25	-47.96
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300025571450	0	44	-1.0	-40.97	376.51	3.87	-37.10
O=C(NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025571451	0	35	-1.0	-39.12	319.63	2.51	-36.61
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025571452	0	39	-1.0	-42.93	347.30	0.81	-42.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2F)=C1	REAL300025571453	0	39	-1.0	-43.20	356.03	1.00	-42.20
O=C(CCC1CC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025571454	0	38	-1.0	-41.03	322.81	1.42	-39.61
O=C(CCCNC(=O)NC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025571455	0	45	-1.0	-41.84	366.63	0.06	-41.78
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1	REAL300025571456	0	37	-1.0	-41.68	329.25	2.54	-39.14
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571457	0	39	-1.0	-39.48	343.39	4.46	-35.02
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025571458	0	37	-1.0	-38.18	325.47	3.39	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300025571459	0	32	-1.0	-41.99	287.83	0.14	-41.85
O=C(CCNC(=O)CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571460	0	37	-1.0	-44.81	326.84	0.85	-43.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300025571461	0	33	-1.0	-39.69	301.14	1.59	-38.10
CN1C=CN=C1C(O)(CC(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025571462	0	34	-1.0	-45.20	296.81	-0.13	-45.33
COC1=CC=C(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571463	0	35	-1.0	-39.46	306.46	0.37	-39.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)(F)F	REAL300025571464	0	30	-1.0	-41.10	287.57	0.41	-40.69
O=C(CCN1C=NC2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571465	0	35	-1.0	-42.88	333.71	3.30	-39.58
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)NCC1=NC(=O)O[N-]1	REAL300025571466	0	36	-1.0	-39.74	337.62	1.40	-38.34
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025571467	0	36	-1.0	-38.43	339.06	1.54	-36.89
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)NCC1=NC(=O)O[N-]1	REAL300025571468	0	36	-1.0	-39.98	337.04	1.22	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1	REAL300025571469	0	39	-1.0	-39.39	347.32	4.07	-35.32
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300025571470	0	36	-1.0	-35.62	343.69	3.58	-32.04
O=C(CCCC1=NC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025571471	0	36	-1.0	-45.24	314.90	2.02	-43.22
O=C(NCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCC2)C=CS1	REAL300025571472	0	36	-1.0	-40.52	320.73	-0.05	-40.57
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025571473	0	33	-1.0	-43.35	314.57	-0.15	-43.50
COC1=CC=C(N2N=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025571474	0	37	-1.0	-42.77	324.49	0.53	-42.24
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025571475	0	36	-1.0	-43.28	322.10	0.86	-42.42
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571476	0	42	-1.0	-37.21	354.42	4.39	-32.82
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300025571477	0	30	-1.0	-38.35	296.49	2.58	-35.77
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300025571478	0	30	-1.0	-41.76	287.84	2.20	-39.56
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CC=C2)S1	REAL300025571479	0	40	-1.0	-39.79	361.77	5.45	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1NC(=O)C1CC1	REAL300025571480	0	41	-1.0	-39.32	349.77	4.27	-35.05
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300025571481	0	35	-1.0	-49.31	321.62	1.87	-47.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CN3C=CC=CC3=N2)C=C1	REAL300025571482	0	41	-1.0	-44.44	369.52	6.41	-38.03
CC1=NC(CSC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025571483	0	37	-1.0	-39.10	349.13	3.62	-35.48
COC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571484	0	45	-1.0	-43.28	385.12	3.04	-40.24
COC1=C(OC)C(OC)=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025571485	0	40	-1.0	-38.46	350.73	0.24	-38.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025571486	0	34	-1.0	-38.04	315.41	3.19	-34.85
CN1C(=O)N(CCC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025571487	0	37	-1.0	-43.56	326.36	2.91	-40.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C(C2=CC=CO2)=C1	REAL300025571488	0	38	-1.0	-41.57	357.96	4.33	-37.24
CC1=CC=CC(COC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025571489	0	41	-1.0	-39.56	353.78	4.99	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300025571490	0	34	-1.0	-58.07	312.46	1.99	-56.08
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C(C2=CC=CO2)=C1	REAL300025571491	0	38	-1.0	-44.70	357.96	4.32	-40.38
COC1=CC=C(Cl)C=C1C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571492	0	42	-1.0	-48.78	364.01	3.81	-44.97
COC1=CC=CC=C1C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025571493	0	34	-1.0	-42.02	310.67	1.50	-40.52
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)C1=CC=CC=C1	REAL300025571494	0	37	-1.0	-43.75	321.58	1.32	-42.43
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(COC2=CC=C(F)C=C2)=N1	REAL300025571495	0	37	-1.0	-37.59	343.53	2.18	-35.41
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025571496	0	36	-1.0	-39.58	322.34	1.01	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300025571497	0	33	-1.0	-43.96	303.66	1.22	-42.74
O=C(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571498	0	36	-1.0	-40.91	348.13	3.69	-37.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300025571499	0	31	-1.0	-35.61	288.98	1.16	-34.45
CC1=CC=C(C(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025571500	0	44	-1.0	-45.57	358.32	3.47	-42.10
CC(C)C1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025571501	0	44	-1.0	-38.75	378.21	3.09	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300025571502	0	36	-1.0	-45.16	349.78	0.98	-44.18
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300025571503	0	32	-1.0	-39.95	295.58	2.45	-37.50
CCCCC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571504	0	45	-1.0	-46.31	385.52	0.31	-46.00
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571505	0	37	-1.0	-43.57	341.24	1.97	-41.60
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)OC2=CC=CC=C21	REAL300025571506	0	33	-1.0	-46.63	292.55	2.45	-44.18
CN1C(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025571507	0	34	-1.0	-46.08	305.34	2.46	-43.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)F)C=C1	REAL300025571508	0	28	-1.0	-38.05	270.77	2.30	-35.75
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571509	0	40	-1.0	-47.75	363.16	-1.52	-49.27
CC1=CN2C=C(COC3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3)N=C2C=C1	REAL300025571510	0	44	-1.0	-43.38	379.57	5.52	-37.86
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1	REAL300025571511	0	37	-1.0	-45.98	344.19	4.30	-41.68
COC1=CC(Br)=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571512	0	32	-1.0	-37.97	300.14	1.59	-36.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)N=C1	REAL300025571513	0	30	-1.0	-35.70	289.66	-0.84	-36.54
CC1=CC=CC2=C1N=CN(CCC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025571514	0	38	-1.0	-43.98	332.59	3.52	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300025571515	0	36	-1.0	-42.54	318.05	4.36	-38.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2CCS(=O)(=O)N=C12	REAL300025571516	0	32	-1.0	-66.32	290.70	-1.19	-67.51
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025571517	0	34	-1.0	-40.00	306.21	1.57	-38.43
CCC(C)C1=CC=CC=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571518	0	40	-1.0	-38.90	331.73	4.24	-34.66
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571519	0	39	-1.0	-40.78	337.70	4.46	-36.32
CC1=CC=CN2C=C(COC3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3)N=C12	REAL300025571520	0	44	-1.0	-43.99	379.63	5.46	-38.53
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)NCC1=NC(=O)O[N-]1	REAL300025571521	0	33	-1.0	-42.24	308.94	0.99	-41.25
CC(C)(C)C1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571522	0	40	-1.0	-36.69	340.42	4.51	-32.18
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C2=C(F)C=CC=C2S1	REAL300025571523	0	41	-1.0	-42.63	368.55	5.68	-36.95
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(F)C=C21)NCC1=NC(=O)O[N-]1	REAL300025571524	0	44	-1.0	-39.74	381.78	6.00	-33.74
CC1=NN(C)C2=NC(C)=C(CCC(=O)NCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025571525	0	44	-1.0	-41.24	360.94	3.09	-38.15
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300025571526	0	30	-1.0	-38.11	296.48	2.59	-35.52
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571527	0	32	-1.0	-43.97	294.52	-2.24	-46.21
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571528	0	39	-1.0	-36.28	327.41	2.79	-33.49
CC1=NN(C)C2=NC(C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571529	0	35	-1.0	-37.85	303.58	1.22	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C(C2=CC=CS2)=N1	REAL300025571530	0	37	-1.0	-45.88	350.52	4.37	-41.51
CC1=CC=C(N2C(=O)CC(C(=O)NCC3=NC(=O)O[N-]3)C2C2=CC=CS2)C=C1	REAL300025571531	0	45	-1.0	-43.30	380.09	4.94	-38.36
COC1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025571532	0	39	-1.0	-39.34	347.49	0.49	-38.85
O=C(CCN1C=NC2=C(C=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571533	0	32	-1.0	-44.50	302.98	1.78	-42.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300025571534	0	36	-1.0	-55.52	318.61	-0.37	-55.89
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025571535	0	34	-1.0	-38.17	312.68	2.39	-35.78
O=C(CNC(=O)C1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025571536	0	31	-1.0	-39.51	291.04	-0.31	-39.82
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025571537	0	37	-1.0	-43.49	334.67	1.12	-42.37
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1	REAL300025571538	0	41	-1.0	-45.34	347.95	2.94	-42.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300025571539	0	33	-1.0	-43.74	299.65	4.14	-39.60
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(C2=CC=CS2)=N1	REAL300025571540	0	37	-1.0	-42.63	350.57	4.36	-38.27
COC1=CC(OC)=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025571541	0	36	-1.0	-38.59	313.90	-0.42	-39.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=NN(CC3=CC=CS3)C2=N1	REAL300025571542	0	39	-1.0	-37.28	356.66	3.70	-33.58
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NS(C)(=O)=O	REAL300025571543	0	35	-1.0	-45.81	312.18	-1.48	-47.29
O=C(NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025571544	0	48	-1.0	-37.67	408.89	4.12	-33.55
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NN3N=NN=C3C=C2)CC1	REAL300025571545	0	39	-1.0	-47.77	329.44	0.92	-46.85
CC1=NOC(CSC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571546	0	37	-1.0	-43.28	335.15	4.09	-39.19
O=C(CCC1=NN=C(C2=CSC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025571547	0	32	-1.0	-40.21	308.81	-2.60	-42.81
CC1=CC=CC(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(F)(F)F)=C1	REAL300025571548	0	37	-1.0	-38.51	330.06	3.49	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1	REAL300025571549	0	34	-1.0	-38.66	308.69	2.83	-35.83
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=C1	REAL300025571550	0	34	-1.0	-36.39	315.09	2.89	-33.50
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025571551	0	42	-1.0	-43.22	356.80	5.59	-37.63
CC1=CC=CC(C2=NN=C(C3=CC=C(C(=O)NCC4=NC(=O)O[N-]4)C=C3)O2)=C1	REAL300025571552	0	42	-1.0	-39.20	374.72	1.42	-37.78
CC1=CC=CN2C=C(COC3=CC=CC=C3C(=O)NCC3=NC(=O)O[N-]3)N=C12	REAL300025571553	0	44	-1.0	-46.13	377.55	6.67	-39.46
CC1=C2C(=CC=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025571554	0	30	-1.0	-38.90	287.45	3.41	-35.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)CSC2=O)=C1	REAL300025571555	0	35	-1.0	-42.84	326.72	1.81	-41.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1	REAL300025571556	0	38	-1.0	-42.69	333.07	3.07	-39.62
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1F	REAL300025571557	0	34	-1.0	-43.80	305.28	2.80	-41.00
CC1=CC=C(S(=O)(=O)N(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025571558	0	41	-1.0	-45.58	358.86	0.65	-44.93
N#CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571559	0	35	-1.0	-44.06	312.89	4.63	-39.43
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)S1	REAL300025571560	0	42	-1.0	-42.23	372.64	0.70	-41.53
CC1=CC(CSC2=NC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025571561	0	36	-1.0	-42.66	332.82	2.53	-40.13
CN(C)C(=O)COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571562	0	38	-1.0	-55.00	327.15	2.86	-52.14
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025571563	0	40	-1.0	-60.81	343.11	0.03	-60.78
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1C1=NC2=CC=CC=C2S1	REAL300025571564	0	34	-1.0	-47.29	319.87	0.10	-47.19
CC1=NC(COC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571565	0	37	-1.0	-42.21	335.19	3.34	-38.87
CSC1=NN2C(=N1)N=C(C)C(CC(=O)NCC1=NC(=O)O[N-]1)=C2C	REAL300025571566	0	38	-1.0	-45.85	342.94	3.99	-41.86
CCS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)CC1	REAL300025571567	0	48	-1.0	-39.86	389.59	1.65	-38.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCCC1=O	REAL300025571568	0	35	-1.0	-45.25	301.25	3.09	-42.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CSC=N1	REAL300025571569	0	34	-1.0	-41.81	313.24	2.63	-39.18
CC1=C(CC2=CC=CC=C2)NC(SCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025571570	0	41	-1.0	-40.00	365.35	3.78	-36.22
CC1=C(CC2=CC=CC=C2)N=C(SCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL300025571570	1	41	-1.0	-40.99	366.28	3.83	-37.16
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C1CCCCC1	REAL300025571571	0	51	-1.0	-45.12	402.86	5.48	-39.64
N#CCCN1C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025571572	0	39	-1.0	-45.56	353.35	5.42	-40.14
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C(=O)O1	REAL300025571573	0	34	-1.0	-47.08	296.36	2.64	-44.44
CC(=O)C1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571574	0	39	-1.0	-42.34	337.49	2.54	-39.80
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NCC1=NC(=O)O[N-]1	REAL300025571575	0	48	-1.0	-38.17	365.80	1.57	-36.60
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571576	0	45	-1.0	-41.26	371.34	4.37	-36.89
NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571577	0	29	-1.0	-44.19	287.85	-3.48	-47.67
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025571578	0	31	-1.0	-36.75	307.47	3.66	-33.09
CNS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571579	0	32	-1.0	-43.52	313.97	-2.16	-45.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300025571580	0	38	-1.0	-38.11	325.21	4.45	-33.66
COC1=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025571581	0	45	-1.0	-38.46	397.73	4.53	-33.93
CCCOC1=C(Cl)C=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571582	0	42	-1.0	-38.56	377.63	3.86	-34.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300025571583	0	37	-1.0	-38.01	305.63	4.45	-33.56
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025571584	0	36	-1.0	-39.79	314.28	1.46	-38.33
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300025571585	0	37	-1.0	-41.68	307.00	4.38	-37.30
O=C(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025571586	0	35	-1.0	-42.94	324.74	-0.99	-43.93
CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571587	0	41	-1.0	-44.21	335.03	1.40	-42.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300025571588	0	38	-2.0	-89.40	353.58	1.35	-88.05
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025571589	0	33	-1.0	-39.26	311.16	3.26	-36.00
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL300025571590	0	37	-1.0	-37.45	315.97	4.90	-32.55
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300025571591	0	33	-1.0	-41.51	320.15	3.29	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025571592	0	38	-1.0	-37.87	341.99	4.61	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCOCC2)=CC=C1F	REAL300025571593	0	40	-1.0	-44.38	353.99	-1.31	-45.69
CC1=NOC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025571594	0	32	-1.0	-37.29	293.48	0.41	-36.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1=CC=CC=C1	REAL300025571595	0	37	-1.0	-41.35	342.41	5.71	-35.64
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571596	0	40	-1.0	-42.79	355.50	4.70	-38.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1	REAL300025571597	0	39	-1.0	-41.81	334.61	1.87	-39.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC(F)F	REAL300025571598	0	28	-1.0	-37.94	266.45	2.28	-35.66
N#CCCNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571599	0	36	-1.0	-47.88	339.58	-1.43	-49.31
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300025571600	0	41	-1.0	-40.35	345.89	5.56	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Br)C=C2)C1	REAL300025571601	0	35	-1.0	-38.31	321.20	2.60	-35.71
O=C(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025571602	0	35	-1.0	-41.51	338.58	-1.57	-43.08
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025571603	0	32	-1.0	-42.04	298.07	-2.82	-44.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C=C1	REAL300025571604	0	36	-1.0	-40.45	335.91	4.95	-35.50
COC1=CC=C(C=CC(=O)NC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571605	0	42	-1.0	-39.58	363.61	0.88	-38.70
O=C(CCC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025571606	0	30	-1.0	-36.21	288.44	3.15	-33.06
CC(C)(C)NS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025571607	0	41	-1.0	-39.38	359.52	-0.23	-39.61
COC1=CC=C(C(=O)NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571608	0	42	-1.0	-39.63	358.99	2.89	-36.74
CC1=CC=C(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025571609	0	41	-1.0	-40.47	365.13	5.32	-35.15
CC1=CC=CC(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025571610	0	41	-1.0	-40.12	359.57	5.00	-35.12
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571611	0	41	-1.0	-40.03	363.99	5.13	-34.90
CCCCN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(OC)C=C1	REAL300025571612	0	51	-1.0	-45.30	405.02	3.97	-41.33
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571613	0	39	-1.0	-40.87	354.29	3.24	-37.63
CC1=NC(C2=CC=CC=C2)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025571614	0	33	-1.0	-39.08	304.24	2.41	-36.67
CN1C2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025571615	0	41	-1.0	-44.33	352.76	5.87	-38.46
CCCS(=O)(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571616	0	38	-1.0	-48.47	325.82	-0.10	-48.57
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300025571617	0	30	-1.0	-39.61	281.65	1.68	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300025571618	0	41	-1.0	-42.52	355.44	6.54	-35.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CN2C=CC=CC2=N1	REAL300025571619	0	41	-1.0	-46.10	356.11	6.08	-40.02
O=C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025571620	0	38	-1.0	-42.15	345.80	-0.29	-42.44
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025571621	0	31	-2.0	-100.18	307.15	-2.68	-102.86
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025571621	1	32	-1.0	-43.79	308.37	-2.30	-46.09
O=C(CCCCC1CCSS1)NCC1=NC(=O)O[N-]1	REAL300025571622	0	35	-1.0	-39.81	314.36	4.28	-35.53
CCC1(CC)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025571623	0	38	-1.0	-44.07	322.80	-0.42	-44.49
O=C(CSCC(=O)N1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025571624	0	38	-1.0	-45.16	327.41	1.67	-43.49
O=C(CSCC(=O)N1CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025571625	0	36	-1.0	-45.75	318.54	-0.77	-46.52
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571626	0	40	-1.0	-45.49	347.50	4.35	-41.14
O=C(NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300025571627	0	41	-1.0	-40.29	359.06	3.62	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300025571628	0	43	-1.0	-43.27	344.77	3.49	-39.78
CC1=C(C)C2=C(SCC(=O)NCC3=NC(=O)O[N-]3)N=C(C)N=C2S1	REAL300025571629	0	38	-1.0	-39.29	348.47	2.66	-36.63
O=C(NCC1=NC(=O)O[N-]1)C(=CC1=CC=CO1)N1N=NN=C1C1=CC=CC=C1	REAL300025571630	0	40	-1.0	-48.80	359.69	3.48	-45.32
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=C1	REAL300025571631	0	34	-1.0	-41.32	319.27	3.04	-38.28
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC1	REAL300025571632	0	31	-1.0	-36.07	293.18	3.38	-32.69
CCN(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571633	0	45	-1.0	-46.59	385.12	1.33	-45.26
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571634	0	29	-1.0	-33.88	272.91	1.02	-32.86
CC1=CC=C(C(=O)CCC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025571635	0	40	-1.0	-39.98	365.07	3.77	-36.21
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571636	0	45	-1.0	-41.27	373.66	5.73	-35.54
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571637	0	32	-1.0	-43.44	294.03	1.91	-41.53
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025571638	0	34	-1.0	-42.94	316.90	-3.72	-46.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCNC(=O)C2)=CC=C1	REAL300025571639	0	40	-1.0	-45.20	355.05	-2.91	-48.11
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571640	0	32	-1.0	-34.93	295.37	2.61	-32.32
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1	REAL300025571641	0	43	-1.0	-41.19	369.62	5.34	-35.85
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=C(F)C=C2)=N1	REAL300025571642	0	34	-1.0	-42.63	326.60	1.42	-41.21
NC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025571643	0	37	-1.0	-47.63	327.02	-1.74	-49.37
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NCC1=NC(=O)O[N-]1	REAL300025571644	0	37	-1.0	-41.39	330.46	2.12	-39.27
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571645	0	38	-1.0	-42.01	341.31	1.98	-40.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300025571646	0	40	-1.0	-43.75	358.76	4.25	-39.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300025571647	0	37	-1.0	-40.27	318.43	3.28	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CO2)S1	REAL300025571648	0	37	-1.0	-41.19	344.81	3.53	-37.66
CCS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571649	0	35	-1.0	-47.48	319.84	-1.46	-48.94
CC(C)C1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025571650	0	39	-1.0	-41.67	348.54	3.78	-37.89
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025571651	0	37	-1.0	-39.81	320.08	3.34	-36.47
CCCS(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571652	0	38	-1.0	-47.27	341.34	-0.66	-47.93
O=C(CCC1=NC(C2=CC=CO2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571653	0	32	-1.0	-41.18	299.53	-0.81	-41.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2F)O1	REAL300025571654	0	40	-1.0	-47.44	360.68	4.34	-43.10
CC1=CSC(SCC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025571655	0	37	-1.0	-41.70	343.57	3.61	-38.09
CC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(F)(F)F)C=C1	REAL300025571656	0	37	-1.0	-38.30	330.07	3.50	-34.80
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025571657	0	37	-1.0	-41.12	335.74	3.61	-37.51
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571658	0	44	-1.0	-48.50	375.37	5.34	-43.16
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)S1	REAL300025571659	0	30	-1.0	-45.02	289.00	0.71	-44.31
CC1=NN(CCC#N)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571660	0	40	-1.0	-42.08	351.71	2.66	-39.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Br)C=C1	REAL300025571661	0	34	-1.0	-37.86	319.97	3.29	-34.57
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571662	0	44	-1.0	-36.34	368.08	0.53	-35.81
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571663	0	43	-1.0	-35.55	341.20	0.10	-35.45
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571664	0	46	-1.0	-34.96	358.27	0.45	-34.51
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571665	0	30	-1.0	-49.46	287.71	1.34	-48.12
CC(OC1=CC=C(Cl)C=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571666	0	31	-1.0	-37.61	308.46	3.38	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C1	REAL300025571667	0	41	-1.0	-43.04	368.76	4.33	-38.71
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2F)C1	REAL300025571668	0	35	-1.0	-39.50	321.13	2.41	-37.09
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025571669	0	39	-1.0	-46.57	354.76	1.15	-45.42
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC=C1Cl	REAL300025571670	0	38	-1.0	-45.46	350.44	4.24	-41.22
O=C(CN1N=C2CCCCCN2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571671	0	37	-1.0	-48.76	313.26	1.79	-46.97
CN(C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL300025571672	0	35	-1.0	-52.56	312.71	0.12	-52.44
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571673	0	44	-1.0	-40.88	367.83	1.97	-38.91
CN1N=CC2=C1N=C(CCC(=O)NCC1=NC(=O)O[N-]1)NC2=O	REAL300025571674	0	35	-1.0	-41.93	314.95	-0.25	-42.18
NC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025571675	0	37	-1.0	-46.35	333.65	-1.68	-48.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300025571676	0	34	-1.0	-38.52	301.43	3.26	-35.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Br	REAL300025571677	0	24	-1.0	-36.19	254.12	2.19	-34.00
CC1=CC(C)=C2C(=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025571678	0	33	-1.0	-38.54	308.85	4.06	-34.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1	REAL300025571679	0	36	-1.0	-40.55	325.58	4.49	-36.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2N1	REAL300025571680	0	28	-1.0	-34.73	276.15	1.62	-33.11
O=C(COC1=CC=C(F)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025571681	0	28	-1.0	-37.48	277.26	2.19	-35.29
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)CCC(=O)C1=CC=CS1	REAL300025571682	0	37	-1.0	-39.91	343.27	2.95	-36.96
CCOC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1C	REAL300025571683	0	35	-1.0	-39.24	311.43	1.39	-37.85
N#CC1=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)OC(C2=CC=CO2)=N1	REAL300025571684	0	43	-1.0	-41.56	376.46	-1.34	-42.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300025571685	0	37	-1.0	-39.43	327.13	2.56	-36.87
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025571686	0	40	-1.0	-39.34	328.04	3.74	-35.60
CC1=CC(Br)=CC=C1N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025571687	0	38	-1.0	-39.06	348.74	3.93	-35.13
O=C(CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571688	0	42	-1.0	-41.39	376.17	0.39	-41.00
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025571689	0	40	-1.0	-36.95	345.39	4.26	-32.69
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CSC=N1	REAL300025571690	0	38	-1.0	-39.49	344.61	1.30	-38.19
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2N(C)C1=O	REAL300025571691	0	35	-1.0	-37.79	311.62	0.69	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300025571692	0	40	-1.0	-41.52	333.19	1.01	-40.51
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025571693	0	40	-1.0	-45.01	348.29	2.44	-42.57
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025571694	0	32	-1.0	-38.20	305.76	0.88	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL300025571695	0	38	-1.0	-40.53	326.40	3.88	-36.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300025571696	0	30	-1.0	-37.53	301.54	-0.81	-38.34
COC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC(OC)=C1OC	REAL300025571697	0	47	-1.0	-47.22	391.92	1.15	-46.07
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCS(=O)(=O)C2)C1	REAL300025571698	0	38	-1.0	-47.29	328.42	-2.58	-49.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300025571699	0	34	-1.0	-42.68	303.01	3.59	-39.09
COC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025571700	0	39	-1.0	-40.14	329.41	1.26	-38.88
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL300025571701	0	27	-1.0	-39.14	284.41	3.29	-35.85
O=C(CCC1=CC=C(OC(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571702	0	34	-1.0	-39.19	306.41	2.12	-37.07
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1Br	REAL300025571703	0	25	-1.0	-34.24	267.94	1.51	-32.73
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=C([N+](=O)[O-])C=CC2=NN1	REAL300025571704	0	29	-1.0	-36.95	276.09	0.41	-36.54
O=C(NCC1=NC(=O)O[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300025571704	1	29	-1.0	-43.24	278.09	0.38	-42.86
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=C(C)C(C)=NN(C)C2=O)=N1	REAL300025571705	0	41	-1.0	-45.27	357.53	1.47	-43.80
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NN3C=NN=C3C=C2)CC1	REAL300025571706	0	40	-1.0	-44.82	334.08	4.05	-40.77
O=C(CN1N=CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571707	0	32	-1.0	-49.52	292.57	0.77	-48.75
CN1C=CN=C1SCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571708	0	35	-1.0	-42.45	331.66	2.74	-39.71
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OCC1=CC=CN=C1	REAL300025571709	0	43	-1.0	-38.94	371.22	4.19	-34.75
O=C(COC1=C(Br)C2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025571710	0	34	-1.0	-42.21	318.14	4.43	-37.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=NC=CC(C)=C12	REAL300025571711	0	32	-1.0	-42.13	283.70	1.65	-40.48
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1	REAL300025571712	0	33	-1.0	-48.61	307.86	1.86	-46.75
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025571713	0	41	-1.0	-45.96	351.03	4.70	-41.26
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300025571714	0	44	-1.0	-46.75	353.63	4.96	-41.79
CC(C)(C)C1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025571715	0	40	-1.0	-36.36	330.85	3.31	-33.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300025571716	0	41	-1.0	-39.94	329.96	3.97	-35.97
CCOC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025571717	0	40	-1.0	-37.12	356.27	2.81	-34.31
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1C=NN=N1	REAL300025571718	0	32	-1.0	-39.94	284.86	1.96	-37.98
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1Br	REAL300025571719	0	37	-1.0	-37.36	340.03	3.81	-33.55
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571720	0	39	-1.0	-42.41	326.22	5.77	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1	REAL300025571721	0	39	-1.0	-41.80	350.22	-0.38	-42.18
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL300025571722	0	35	-1.0	-44.70	299.14	-4.21	-48.91
CC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C2CC2)C=C1Cl	REAL300025571723	0	41	-1.0	-40.33	361.81	4.96	-35.37
CC1=NN(C)C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025571724	0	35	-1.0	-36.62	303.81	1.45	-35.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025571725	0	34	-1.0	-38.30	305.09	2.73	-35.57
CCOC1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025571726	0	42	-1.0	-39.15	369.35	1.41	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025571727	0	39	-1.0	-47.19	340.78	1.34	-45.85
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC(Br)=C2)C1	REAL300025571728	0	35	-1.0	-45.07	321.63	2.64	-42.43
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Br)C1	REAL300025571729	0	35	-1.0	-40.42	328.81	3.20	-37.22
CCCC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025571730	0	44	-1.0	-39.47	364.29	4.19	-35.28
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL300025571731	0	37	-1.0	-38.50	307.94	-0.27	-38.77
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCOCC1	REAL300025571732	0	46	-1.0	-39.82	376.18	0.28	-39.54
CC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC=C1Br	REAL300025571733	0	38	-1.0	-38.57	339.43	3.17	-35.40
CCCCC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025571734	0	47	-1.0	-39.46	385.79	4.97	-34.49
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025571735	0	40	-1.0	-39.81	340.18	4.01	-35.80
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CN=C1	REAL300025571736	0	44	-1.0	-40.57	378.20	3.37	-37.20
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1	REAL300025571737	0	42	-1.0	-40.79	345.50	3.89	-36.90
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025571738	0	40	-1.0	-37.63	344.80	4.26	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300025571739	0	37	-1.0	-43.95	322.74	2.46	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1	REAL300025571740	0	42	-1.0	-41.61	362.99	0.09	-41.52
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571741	0	38	-2.0	-93.91	366.25	0.68	-93.23
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571742	0	43	-1.0	-48.61	358.06	2.32	-46.29
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025571743	0	37	-1.0	-40.15	319.06	3.34	-36.81
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025571744	0	40	-1.0	-37.27	335.07	3.81	-33.46
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025571745	0	37	-1.0	-39.93	335.41	3.85	-36.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025571746	0	34	-1.0	-38.44	313.74	3.13	-35.31
CCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OCCCC	REAL300025571747	0	50	-1.0	-37.06	409.45	5.25	-31.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300025571748	0	44	-1.0	-46.93	358.89	3.31	-43.62
CCN(CC)C(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571749	0	45	-1.0	-43.47	348.83	2.02	-41.45
CN1C=C(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025571750	0	32	-1.0	-44.04	304.39	-4.87	-48.91
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300025571751	0	33	-1.0	-42.19	328.45	3.05	-39.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1	REAL300025571752	0	40	-1.0	-44.94	363.17	2.51	-42.43
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571753	0	44	-1.0	-46.73	377.25	4.12	-42.61
COC1=CC=C(OC2=CC=C([N+](=O)[O-])C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571754	0	41	-1.0	-42.52	365.30	5.00	-37.52
O=C(CC1=CSC(NC(=O)CC2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571755	0	37	-1.0	-44.28	356.10	1.77	-42.51
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571755	1	36	-2.0	-88.17	352.79	0.65	-87.52
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CC2=CC=CC=C2)=N1	REAL300025571756	0	36	-1.0	-36.85	328.64	3.30	-33.55
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C2N1	REAL300025571757	0	34	-1.0	-40.37	318.48	2.88	-37.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(Br)C=N2)C=C1	REAL300025571758	0	31	-1.0	-37.18	301.09	2.89	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=NC=C2)C=C1	REAL300025571759	0	38	-1.0	-41.67	351.05	-0.89	-42.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025571759	1	37	-2.0	-80.56	344.70	-0.75	-81.31
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL300025571760	0	41	-1.0	-39.06	327.20	2.05	-37.01
CC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025571761	0	43	-1.0	-39.00	349.45	4.42	-34.58
O=C(COC1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025571762	0	31	-1.0	-42.09	292.14	2.67	-39.42
CC1=NN(C2=CC=C(Cl)C=C2Cl)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571763	0	40	-1.0	-40.48	375.54	5.06	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=NC(N2CCOCC2)=NC=C1Cl	REAL300025571764	0	35	-1.0	-37.88	314.59	0.03	-37.85
CC1=NN(C)C2=C1C(C)=C(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)N2	REAL300025571765	0	42	-1.0	-45.31	352.76	1.27	-44.04
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=N1	REAL300025571766	0	32	-1.0	-40.17	308.05	0.02	-40.15
CN(C)S(=O)(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571767	0	33	-1.0	-42.00	305.94	-3.24	-45.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2O1	REAL300025571768	0	27	-1.0	-36.35	273.63	2.07	-34.28
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571769	0	38	-1.0	-42.66	332.35	-2.64	-45.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571769	1	37	-2.0	-87.25	336.83	-2.77	-90.02
CC1=NC2=CC(F)=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571770	0	32	-1.0	-34.60	285.29	2.10	-32.50
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=N1	REAL300025571771	0	42	-1.0	-37.32	363.59	4.63	-32.69
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300025571772	0	31	-1.0	-43.05	288.91	2.27	-40.78
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OC(F)F	REAL300025571773	0	34	-1.0	-38.36	298.29	2.04	-36.32
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025571774	0	39	-1.0	-41.10	344.59	4.33	-36.77
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571775	0	47	-1.0	-44.08	396.29	2.66	-41.42
CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571776	0	29	-1.0	-42.87	284.39	-4.73	-47.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571776	1	28	-2.0	-86.36	281.38	-5.18	-91.54
O=C(CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571777	0	38	-1.0	-41.43	356.27	2.47	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300025571778	0	38	-1.0	-39.86	345.55	2.88	-36.98
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL300025571779	0	31	-1.0	-41.05	288.79	0.04	-41.01
COC1=NN(C)C2=NC(C)=C(CCC(=O)NCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025571780	0	45	-1.0	-40.45	375.40	0.66	-39.79
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025571781	0	36	-1.0	-41.44	313.39	3.22	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300025571782	0	38	-1.0	-47.23	339.59	3.12	-44.11
O=C(NCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300025571783	0	41	-1.0	-42.21	354.32	-0.87	-43.08
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C(C)=C1	REAL300025571784	0	36	-1.0	-38.47	316.50	3.01	-35.46
CC1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025571785	0	33	-1.0	-46.24	313.86	1.55	-44.69
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025571786	0	39	-1.0	-40.88	324.61	3.61	-37.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL300025571787	0	38	-1.0	-36.85	315.62	3.26	-33.59
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025571788	0	44	-1.0	-46.38	362.85	3.86	-42.52
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(C(F)(F)F)C=C2S1	REAL300025571789	0	30	-1.0	-35.67	311.90	3.94	-31.73
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2)=NO1	REAL300025571790	0	33	-1.0	-37.20	307.30	3.07	-34.13
CC1=CC(C)=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C(C)=C1	REAL300025571791	0	44	-1.0	-44.40	366.28	5.13	-39.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C=C1	REAL300025571792	0	33	-1.0	-41.46	301.41	1.30	-40.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300025571793	0	31	-1.0	-38.54	300.62	3.88	-34.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025571794	0	38	-1.0	-38.77	347.15	2.93	-35.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)O1	REAL300025571795	0	37	-1.0	-42.82	336.14	-3.34	-46.16
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025571796	0	39	-1.0	-42.89	341.85	2.09	-40.80
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300025571797	0	37	-1.0	-39.41	324.97	0.80	-38.61
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571798	0	47	-1.0	-41.48	383.96	4.68	-36.80
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571799	0	40	-1.0	-40.56	347.51	3.87	-36.69
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Br)C=C1	REAL300025571800	0	37	-1.0	-37.77	340.35	3.95	-33.82
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300025571801	0	30	-1.0	-40.87	296.36	2.58	-38.29
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1	REAL300025571802	0	41	-1.0	-48.66	351.65	3.96	-44.70
CC(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571803	0	37	-1.0	-41.85	317.49	1.41	-40.44
O=C(COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)NCC1=NC(=O)O[N-]1	REAL300025571804	0	39	-1.0	-48.71	350.67	1.64	-47.07
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC=C2OC(F)F)C1	REAL300025571805	0	45	-1.0	-40.46	377.51	2.65	-37.81
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571806	0	41	-1.0	-39.84	358.58	-0.48	-40.32
CC1=CC=C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025571807	0	33	-1.0	-37.95	301.19	2.73	-35.22
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL300025571808	0	35	-1.0	-45.61	320.44	-0.55	-46.16
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571809	0	41	-1.0	-38.92	345.45	5.65	-33.27
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300025571810	0	31	-1.0	-50.07	287.00	2.36	-47.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300025571811	0	31	-1.0	-37.72	312.53	4.36	-33.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300025571812	0	36	-2.0	-89.90	350.15	-1.46	-91.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-]	REAL300025571812	1	35	-3.0	-190.87	346.60	-0.45	-191.32
CC1=CC=CC(C(CC(=O)NCC2=NC(=O)O[N-]2)NC(N)=O)=C1	REAL300025571813	0	39	-1.0	-43.85	339.00	-0.69	-44.54
CC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)O1	REAL300025571814	0	33	-1.0	-38.71	310.13	1.52	-37.19
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300025571815	0	36	-1.0	-47.54	327.28	3.53	-44.01
CC(C)(C)C1=NOC(CCCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025571816	0	40	-1.0	-41.47	341.94	0.52	-40.95
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=C(C(C)(C)C)C=C1	REAL300025571817	0	50	-1.0	-38.16	405.33	6.45	-31.71
CN1C2=CC=CC=C2C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571818	0	31	-1.0	-38.87	299.53	3.05	-35.82
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL300025571819	0	34	-1.0	-45.53	315.44	-2.33	-47.86
CC(C)NC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571820	0	39	-1.0	-48.09	334.47	0.22	-47.87
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(C1CC1)=NN2C1=CC=CC=C1	REAL300025571821	0	43	-1.0	-40.67	375.99	5.93	-34.74
COC1=CC=C(C2=NOC(CCCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025571822	0	42	-1.0	-43.43	368.99	1.27	-42.16
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)N2CCCC2)C1	REAL300025571823	0	43	-1.0	-37.18	336.58	1.56	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300025571824	0	33	-1.0	-56.27	310.71	2.87	-53.40
CC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025571825	0	30	-1.0	-45.55	292.84	0.72	-44.83
CCOC1=CC(C#N)=CC(Br)=C1OCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571826	0	36	-1.0	-40.22	350.87	3.46	-36.76
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571827	0	36	-1.0	-42.08	332.58	3.37	-38.71
O=C(NCC1=NC(=O)O[N-]1)C1=NC(NCC2=CC=CO2)=NC=C1Cl	REAL300025571828	0	34	-1.0	-39.26	325.36	2.09	-37.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300025571829	0	35	-1.0	-39.42	322.60	3.40	-36.02
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025571830	0	45	-1.0	-43.13	372.95	-1.32	-44.45
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300025571831	0	33	-1.0	-42.41	311.71	2.53	-39.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Br)=C2)N=C1	REAL300025571832	0	34	-1.0	-37.08	329.09	2.00	-35.08
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571833	0	41	-1.0	-34.25	343.77	1.69	-32.56
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571834	0	41	-1.0	-34.38	338.91	1.48	-32.90
COC1=CC(C(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CC(OC)=C1	REAL300025571835	0	49	-1.0	-44.49	396.05	1.44	-43.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=CC(Br)=C1	REAL300025571836	0	34	-1.0	-41.57	327.09	3.19	-38.38
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571837	0	47	-1.0	-34.04	375.35	3.06	-30.98
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1Br	REAL300025571838	0	31	-1.0	-48.49	306.19	2.99	-45.50
O=C(CN1C=NC2=CC=C(Br)C=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571839	0	32	-1.0	-44.44	312.67	2.83	-41.61
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300025571840	0	45	-1.0	-40.09	376.51	3.94	-36.15
O=C(CCNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571841	0	38	-1.0	-41.69	339.14	0.44	-41.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025571842	0	37	-1.0	-40.28	322.95	3.14	-37.14
CCNC1=NC2=NN=C(SCC(=O)NCC3=NC(=O)O[N-]3)N2C(NCC)=N1	REAL300025571843	0	44	-1.0	-43.61	391.05	7.56	-36.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1	REAL300025571844	0	24	-1.0	-33.80	248.83	1.74	-32.06
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2F)=N1)NCC1=NC(=O)O[N-]1	REAL300025571845	0	37	-1.0	-46.43	345.77	2.05	-44.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300025571846	0	38	-1.0	-40.13	350.24	4.67	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300025571847	0	34	-1.0	-39.10	299.75	4.53	-34.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300025571848	0	37	-1.0	-40.14	338.44	5.53	-34.61
COC1=CC=C(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025571849	0	41	-1.0	-38.88	363.62	1.80	-37.08
CC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025571850	0	33	-1.0	-42.48	299.82	1.42	-41.06
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025571851	0	40	-1.0	-39.97	340.98	3.73	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)NC2=CC=CC=C2F)=CN1	REAL300025571852	0	37	-1.0	-41.25	346.98	-1.22	-42.47
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025571853	0	41	-1.0	-42.73	351.70	2.93	-39.80
O=C(CC1=CC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025571854	0	33	-1.0	-46.20	296.11	0.79	-45.41
CC1=NN(C2=CC=C(Cl)C(Cl)=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571855	0	40	-1.0	-39.73	375.35	4.83	-34.90
O=C(CN1C(=O)COC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571856	0	33	-1.0	-41.62	313.54	1.12	-40.50
CC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2C=C1	REAL300025571857	0	32	-1.0	-51.29	284.82	1.87	-49.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300025571858	0	30	-1.0	-37.27	287.92	1.96	-35.31
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025571859	0	43	-1.0	-39.96	362.47	4.50	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300025571860	0	30	-1.0	-36.67	286.20	2.11	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)N2CCCC2)CC1	REAL300025571861	0	43	-1.0	-44.00	336.06	1.39	-42.61
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025571862	0	30	-1.0	-41.71	290.32	-0.74	-42.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2O1	REAL300025571863	0	27	-1.0	-40.97	273.66	2.07	-38.90
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300025571864	0	38	-1.0	-50.88	336.88	4.20	-46.68
CC(C)CC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571865	0	44	-1.0	-38.27	368.54	5.05	-33.22
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NCC1=NC(=O)O[N-]1	REAL300025571866	0	32	-1.0	-44.52	302.48	1.99	-42.53
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571867	0	39	-1.0	-50.99	351.64	1.24	-49.75
COC1=CC=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025571868	0	35	-1.0	-44.05	307.21	1.07	-42.98
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)S2)=C1	REAL300025571869	0	27	-1.0	-37.14	288.83	1.84	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL300025571870	0	35	-1.0	-46.04	303.85	4.03	-42.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300025571871	0	33	-1.0	-39.01	307.13	4.19	-34.82
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571872	0	38	-1.0	-41.19	328.72	4.63	-36.56
O=C(CCN1C(=O)COC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571873	0	36	-1.0	-39.19	334.56	1.58	-37.61
O=C(CC(NC(=O)C1=CC=C(O)C=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025571874	0	45	-1.0	-44.17	391.28	1.76	-42.41
CCC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025571875	0	34	-1.0	-37.52	310.15	3.42	-34.10
CC(OC1=CC=C2CCCC2=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571876	0	38	-1.0	-38.66	316.83	4.13	-34.53
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571877	0	38	-1.0	-41.63	345.95	2.02	-39.61
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1	REAL300025571878	0	41	-1.0	-43.89	356.65	5.25	-38.64
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571879	0	31	-1.0	-39.90	302.51	3.23	-36.67
CC(OC1=CC=C(F)C=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571880	0	31	-1.0	-37.88	298.14	2.94	-34.94
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025571881	0	35	-1.0	-43.50	330.45	0.96	-42.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(I)=C1	REAL300025571882	0	24	-1.0	-34.78	263.26	2.59	-32.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1I	REAL300025571883	0	24	-1.0	-35.52	259.59	2.64	-32.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1I	REAL300025571884	0	26	-1.0	-38.77	271.06	2.79	-35.98
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025571885	0	27	-1.0	-37.11	260.42	2.66	-34.45
CC(OC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571886	0	55	-1.0	-37.23	409.22	7.54	-29.69
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300025571887	0	47	-1.0	-39.99	387.91	6.90	-33.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1I	REAL300025571888	0	24	-1.0	-33.90	249.26	2.19	-31.71
COC1=CC=CC(COC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571889	0	38	-1.0	-41.61	329.52	2.11	-39.50
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025571890	0	38	-1.0	-44.54	340.19	-0.72	-45.26
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025571891	0	39	-1.0	-42.81	343.84	1.80	-41.01
N#CC1=CC=CC=C1COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571892	0	39	-1.0	-41.52	349.77	4.74	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=C(Br)C=C1	REAL300025571893	0	34	-1.0	-40.23	327.09	3.19	-37.04
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1F	REAL300025571894	0	41	-1.0	-53.78	356.21	4.03	-49.75
CC(C)C1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025571895	0	37	-1.0	-36.39	314.92	2.91	-33.48
COC1=CC(OC)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1OC	REAL300025571896	0	40	-1.0	-40.91	347.03	-0.39	-41.30
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025571897	0	37	-1.0	-51.45	329.10	-0.34	-51.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL300025571898	0	33	-1.0	-44.28	289.66	1.13	-43.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1	REAL300025571899	0	38	-1.0	-46.24	337.68	-0.00	-46.24
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300025571900	0	33	-1.0	-39.59	310.30	2.88	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL300025571901	0	34	-1.0	-51.38	293.58	-0.21	-51.59
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025571902	0	36	-1.0	-41.19	311.16	2.50	-38.69
COC1=CC=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025571903	0	34	-1.0	-53.64	299.41	0.47	-53.17
COC1=CC=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025571903	1	33	-2.0	-89.86	296.19	0.04	-89.82
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300025571904	0	29	-1.0	-37.02	271.74	-3.47	-40.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)N1	REAL300025571905	0	22	-1.0	-33.10	246.56	-0.17	-33.27
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CS1	REAL300025571906	0	39	-1.0	-43.28	338.28	0.71	-42.57
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571907	0	31	-1.0	-36.83	291.75	1.52	-35.31
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025571908	0	38	-1.0	-38.68	329.45	3.46	-35.22
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571909	0	50	-1.0	-37.56	400.47	4.48	-33.08
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025571910	0	32	-1.0	-41.30	289.51	0.55	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025571911	0	33	-1.0	-47.99	318.74	3.08	-44.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL300025571912	0	33	-1.0	-51.73	289.87	1.12	-50.61
CC1=NN(C2=CC=C(CC(=O)NCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025571913	0	40	-1.0	-42.99	344.87	3.92	-39.07
CC1=C(C2=CC=C(F)C=C2)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025571914	0	37	-1.0	-42.55	337.56	3.13	-39.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300025571915	0	37	-1.0	-41.94	335.85	5.72	-36.22
COC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571916	0	35	-1.0	-39.42	309.85	0.68	-38.74
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(OC)=C1	REAL300025571917	0	39	-1.0	-39.81	339.28	-0.03	-39.84
COC1=CC(C#N)=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571918	0	39	-1.0	-42.70	347.15	2.44	-40.26
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=N1	REAL300025571919	0	37	-1.0	-43.59	318.88	3.92	-39.67
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=NC=CS1	REAL300025571920	0	34	-1.0	-41.67	310.34	2.96	-38.71
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CC=C2Cl)=C1	REAL300025571921	0	38	-1.0	-49.61	354.53	3.38	-46.23
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025571922	0	33	-1.0	-41.41	294.02	2.34	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025571923	0	33	-1.0	-41.88	307.66	2.82	-39.06
COCCOC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025571924	0	41	-1.0	-39.91	359.46	0.91	-39.00
N#CC1=CC=C(CSCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571925	0	32	-1.0	-40.25	311.03	3.49	-36.76
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571926	0	34	-1.0	-39.77	327.35	1.36	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300025571927	0	29	-1.0	-36.68	280.46	2.12	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL300025571928	0	34	-1.0	-38.67	308.67	-0.24	-38.91
CCOC1=CC=CC=C1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571929	0	38	-1.0	-39.39	331.71	1.61	-37.78
O=C(CCCOC1=CC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571930	0	40	-1.0	-40.65	342.15	4.46	-36.19
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025571931	0	48	-1.0	-36.79	385.86	4.83	-31.96
COC1=CC=C2C(=C1)C=CN2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571932	0	35	-1.0	-41.10	308.46	2.49	-38.61
CC(OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)C1=CC=CC=C1	REAL300025571933	0	40	-1.0	-37.06	349.10	2.64	-34.42
CC1=CC=C(C)N1C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571934	0	37	-1.0	-43.73	327.68	4.10	-39.63
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571935	0	43	-1.0	-46.09	368.99	2.53	-43.56
CC1=C(C(=O)NC2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=CO1	REAL300025571936	0	37	-1.0	-43.71	342.88	0.75	-42.96
O=C(CCS(=O)(=O)C1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025571937	0	36	-1.0	-42.39	314.19	-0.78	-43.17
N#CC1=CC=C(CS(=O)(=O)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571938	0	34	-1.0	-52.47	329.50	0.07	-52.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025571939	0	35	-2.0	-88.48	341.60	-0.00	-88.48
CC(C)C1=CC=C(SCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571940	0	37	-1.0	-36.76	324.46	4.11	-32.65
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=CS1	REAL300025571941	0	21	-1.0	-36.55	230.93	0.67	-35.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300025571942	0	28	-1.0	-34.02	286.69	1.95	-32.07
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571943	0	39	-1.0	-39.61	328.54	5.52	-34.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2O)=NN1	REAL300025571944	0	32	-1.0	-38.44	291.37	-1.47	-39.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300025571945	0	34	-1.0	-51.61	297.64	1.82	-49.79
CC1=NN(C)C2=NC(C)=C(CC(=O)NCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025571946	0	41	-1.0	-42.72	340.49	2.29	-40.43
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571947	0	36	-1.0	-41.56	320.88	0.09	-41.47
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300025571948	0	27	-1.0	-34.41	272.09	2.34	-32.07
CN1C(=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025571949	0	33	-1.0	-41.97	283.91	1.83	-40.14
COC1=CC=CC=C1OCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571950	0	39	-1.0	-43.95	346.39	2.39	-41.56
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025571951	0	40	-1.0	-40.39	357.83	4.32	-36.07
CC1=NC2=C(C(N)=O)C=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571952	0	42	-1.0	-49.24	360.16	-0.87	-50.11
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025571953	0	36	-1.0	-37.28	320.31	0.07	-37.21
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300025571954	0	32	-1.0	-50.02	303.61	3.79	-46.23
CCCCCCCCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025571955	0	62	-1.0	-35.46	486.71	9.67	-25.79
O=C(COC1=CC=C(C(=O)C2=CC=C(Cl)C=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571956	0	40	-1.0	-40.65	367.95	5.39	-35.26
O=C(CCCCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571957	0	36	-1.0	-36.56	331.44	4.72	-31.84
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300025571958	0	41	-1.0	-42.19	369.08	3.65	-38.54
O=C(CCCOC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025571959	0	34	-1.0	-40.21	317.53	2.80	-37.41
O=C(NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025571960	0	38	-1.0	-40.33	351.15	2.18	-38.15
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571961	0	39	-1.0	-42.50	344.82	-1.22	-43.72
CC1=CC=C(S(=O)(=O)N2CCN(CC(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025571962	0	47	-1.0	-42.02	395.23	-0.54	-42.56
O=C(COC1=CC2=CC=C(Br)C=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025571963	0	34	-1.0	-38.87	321.93	4.49	-34.38
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025571964	0	33	-1.0	-46.20	308.75	2.36	-43.84
CC(C)C(=O)NC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571965	0	36	-1.0	-42.67	325.42	0.33	-42.34
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571965	1	35	-2.0	-87.89	323.14	-0.78	-88.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025571966	0	40	-1.0	-47.38	363.18	2.50	-44.88
CC1=CC=C(S(=O)(=O)CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025571967	0	43	-1.0	-46.42	384.60	3.18	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300025571968	0	37	-1.0	-41.40	327.21	2.54	-38.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300025571969	0	34	-1.0	-37.90	307.77	1.38	-36.52
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(Br)=C1	REAL300025571970	0	24	-1.0	-36.38	244.94	0.46	-35.92
O=C(CCCN1C=NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025571971	0	36	-1.0	-44.04	315.99	4.11	-39.93
O=C(NCC1=NC(=O)O[N-]1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300025571972	0	34	-1.0	-38.55	305.47	1.51	-37.04
CCCCS(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025571973	0	44	-1.0	-44.96	365.70	0.19	-44.77
CC(C)(C)N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL300025571974	0	40	-1.0	-42.93	329.41	2.52	-40.41
CSC1=NC=CN1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571975	0	35	-1.0	-38.38	323.05	3.96	-34.42
O=C(COC1=CC=C(Cl)C=C1C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025571976	0	44	-1.0	-37.57	371.64	5.99	-31.58
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NN2C2=CC=CC=C2)C=C1	REAL300025571977	0	45	-1.0	-44.14	386.06	4.53	-39.61
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2	REAL300025571978	0	38	-1.0	-41.38	342.31	4.15	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300025571979	0	31	-1.0	-37.95	298.82	2.73	-35.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F	REAL300025571980	0	41	-1.0	-37.67	348.99	6.27	-31.40
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)NC(C)C	REAL300025571981	0	45	-1.0	-45.74	382.37	1.30	-44.44
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571982	0	43	-1.0	-37.79	352.40	4.83	-32.96
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571983	0	43	-1.0	-38.13	347.48	4.55	-33.58
CC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025571984	0	34	-1.0	-39.09	313.13	3.54	-35.55
CC1=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025571985	0	43	-1.0	-37.90	349.74	4.65	-33.25
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300025571986	0	31	-1.0	-37.84	303.39	2.84	-35.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(Br)C=C2)O1	REAL300025571987	0	35	-1.0	-39.70	338.43	3.11	-36.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC(Br)=C2)O1	REAL300025571988	0	35	-1.0	-40.89	338.43	3.12	-37.77
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025571989	0	33	-1.0	-46.68	293.25	-0.81	-47.49
O=C(CNC(=O)CC1=CC=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025571990	0	34	-1.0	-40.13	311.13	0.29	-39.84
O=C(COC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571991	0	31	-1.0	-37.64	293.38	2.62	-35.02
CCOC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025571992	0	38	-1.0	-43.67	340.87	5.01	-38.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Br)C=C2)N=C1	REAL300025571993	0	34	-1.0	-36.69	329.07	2.00	-34.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC3=CC=CC=C3O2)=C1	REAL300025571994	0	43	-1.0	-54.07	372.11	3.89	-50.18
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NCC1=NC(=O)O[N-]1	REAL300025571995	0	31	-1.0	-48.82	301.11	0.04	-48.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=NC=CC=N2)=N1	REAL300025571996	0	31	-1.0	-42.30	296.87	-0.07	-42.37
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC1CCCC1	REAL300025571997	0	42	-1.0	-37.51	344.31	3.13	-34.38
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Br)C1=O	REAL300025571998	0	35	-1.0	-45.53	327.44	3.34	-42.19
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025571999	0	31	-1.0	-36.32	304.00	3.17	-33.15
CN1C=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=N1	REAL300025572000	0	30	-1.0	-46.47	293.06	-0.37	-46.84
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025572001	0	35	-1.0	-43.56	319.02	4.10	-39.46
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025572002	0	43	0.0	-59.60	342.43	4.69	-54.91
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572003	0	38	-1.0	-40.97	323.52	2.34	-38.63
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL300025572004	0	39	-1.0	-39.34	336.25	2.17	-37.17
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025572005	0	36	-1.0	-37.52	317.05	0.58	-36.94
CC(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025572006	0	33	-1.0	-42.70	308.00	-0.13	-42.83
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300025572007	0	33	-1.0	-40.95	299.35	0.89	-40.06
CC(SC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572008	0	31	-1.0	-35.74	304.15	3.28	-32.46
CC1=CC(C)=C(C(=O)CCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025572009	0	44	-1.0	-42.76	371.77	5.06	-37.70
CCOC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025572010	0	35	-1.0	-38.05	306.14	1.20	-36.85
CC1=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025572011	0	34	-1.0	-36.68	307.54	3.30	-33.38
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300025572012	0	35	-1.0	-43.91	319.30	2.80	-41.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CC(Br)=C1	REAL300025572013	0	35	-1.0	-41.43	330.66	5.75	-35.68
O=C(CCCOCCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572014	0	40	-1.0	-38.23	344.17	3.38	-34.85
CCCS(=O)(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572015	0	41	-1.0	-42.64	334.50	0.19	-42.45
O=C(CCNC(=O)C1=CC(F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025572016	0	34	-1.0	-42.51	324.90	0.86	-41.65
CC1=CC=C(C(C)C)C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572017	0	43	-1.0	-38.28	352.14	4.84	-33.44
CC1=CC=C(Cl)C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572018	0	34	-1.0	-39.27	309.56	3.41	-35.86
CC(C)C1=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=CC=C1	REAL300025572019	0	40	-1.0	-37.71	331.51	4.14	-33.57
COC1=CC=C2OC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025572020	0	34	-1.0	-42.55	303.88	1.40	-41.15
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2S1	REAL300025572021	0	34	-1.0	-43.33	312.95	2.80	-40.53
CC1=CC(C(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)=CC(C)=C1	REAL300025572022	0	47	-1.0	-45.22	381.58	4.18	-41.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C2=C1CCCCC2	REAL300025572023	0	44	-1.0	-42.66	370.04	5.36	-37.30
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025572024	0	36	-1.0	-47.11	337.36	2.92	-44.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL300025572025	0	38	-1.0	-37.13	342.54	5.94	-31.19
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300025572026	0	35	-1.0	-38.41	316.64	2.49	-35.92
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025572027	0	30	-1.0	-39.90	288.60	0.75	-39.15
CC(SC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572028	0	31	-1.0	-37.84	295.72	3.11	-34.73
CC1=NN2C(=C1C(=O)NCC1=NC(=O)O[N-]1)N=C(C)C=C2C	REAL300025572029	0	35	-1.0	-48.52	312.33	1.66	-46.86
CC(=O)NC1=CC=C(SC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572030	0	38	-1.0	-47.37	339.17	1.54	-45.83
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572031	0	31	-1.0	-36.33	312.70	3.64	-32.69
COC1=CC=C(SC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572032	0	35	-1.0	-37.06	312.34	1.95	-35.11
O=C(CCCOC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572033	0	34	-1.0	-37.94	313.85	2.64	-35.30
O=C(CNC(=O)C1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025572034	0	28	-1.0	-36.46	293.88	-0.73	-37.19
O=C(CC1CCCC(C(F)(F)F)C1)NCC1=NC(=O)O[N-]1	REAL300025572035	0	36	-1.0	-35.51	295.94	2.67	-32.84
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572036	0	39	-1.0	-44.27	339.14	3.52	-40.75
O=C(CCC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025572037	0	30	-1.0	-37.08	283.34	2.98	-34.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Cl	REAL300025572038	0	24	-1.0	-34.57	254.94	2.18	-32.39
CC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572039	0	27	-1.0	-34.38	258.48	2.35	-32.03
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025572040	0	33	-1.0	-38.02	320.57	4.29	-33.73
CC(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572041	0	39	-1.0	-42.72	334.06	0.25	-42.47
CC1=NC2=CC(F)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2N=C1C	REAL300025572042	0	34	-1.0	-41.62	300.35	1.09	-40.53
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025572043	0	36	-1.0	-46.06	322.02	2.14	-43.92
CC(C)N1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025572044	0	38	-1.0	-39.73	341.34	-1.02	-40.75
COCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025572045	0	39	-1.0	-41.97	357.44	-2.24	-44.21
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300025572046	0	36	-1.0	-44.87	307.27	0.41	-44.46
O=C(CCCNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572047	0	41	-1.0	-40.62	360.64	1.25	-39.37
O=C(NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CO1	REAL300025572048	0	35	-1.0	-47.06	317.14	1.09	-45.97
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025572049	0	31	-1.0	-42.25	308.13	1.14	-41.11
CC1=NC2=CC(Br)=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572050	0	32	-1.0	-34.60	300.14	2.65	-31.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300025572051	0	31	-1.0	-37.04	324.71	4.74	-32.30
CCCCC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572052	0	44	-1.0	-38.34	373.25	5.36	-32.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300025572053	0	30	-1.0	-44.99	280.73	1.75	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL300025572054	0	32	-1.0	-35.06	300.77	0.77	-34.29
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C)=C1C(=O)OC	REAL300025572055	0	40	-1.0	-38.60	346.95	2.30	-36.30
CC(NC(=O)C1=CC=C(Br)S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572056	0	31	-1.0	-36.06	313.43	0.12	-35.94
CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)O1	REAL300025572057	0	31	-1.0	-41.13	303.01	0.72	-40.41
CN(C)C1=NC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL300025572058	0	31	-1.0	-40.53	302.75	1.44	-39.09
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC(C)=CC=C1	REAL300025572059	0	36	-1.0	-43.48	314.82	1.86	-41.62
NC(=O)C1=CN(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025572060	0	35	-1.0	-47.06	314.40	-0.09	-47.15
CCN(CC)C1=NC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL300025572061	0	37	-1.0	-40.33	345.47	3.33	-37.00
O=C(CCCS(=O)(=O)N1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025572062	0	38	-1.0	-45.69	331.45	-1.28	-46.97
O=C(CCOC1=CC=CC=C1)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572063	0	48	-1.0	-42.37	392.44	3.51	-38.86
CC1=CC=C(C)N1C1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL300025572064	0	35	-1.0	-39.78	319.84	4.40	-35.38
CCC(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572065	0	37	-1.0	-37.64	322.67	-0.05	-37.69
O=C(CC1=CC=C(F)C(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025572066	0	27	-1.0	-37.29	272.76	2.39	-34.90
CC(C)OC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025572067	0	33	-1.0	-34.67	306.28	0.16	-34.51
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572068	0	37	-1.0	-38.68	345.21	3.72	-34.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300025572069	0	28	-1.0	-40.43	273.17	0.95	-39.48
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)NCC1=NC(=O)O[N-]1	REAL300025572070	0	38	-1.0	-39.39	333.71	2.35	-37.04
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300025572071	0	31	-1.0	-38.16	298.83	2.73	-35.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CN=C21	REAL300025572072	0	29	-1.0	-43.74	276.91	2.36	-41.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C)C=C1	REAL300025572073	0	36	-1.0	-42.86	316.40	1.90	-40.96
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025572074	0	33	-1.0	-43.78	310.13	1.70	-42.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025572075	0	33	-1.0	-43.34	295.01	1.22	-42.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Br)=C1	REAL300025572076	0	33	-1.0	-43.66	314.69	1.81	-41.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1CCCC1	REAL300025572077	0	37	-1.0	-38.53	317.11	3.57	-34.96
CC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025572078	0	24	-1.0	-34.73	243.54	-1.28	-36.01
O=C(NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1)NC1CC1	REAL300025572079	0	37	-1.0	-47.90	323.68	0.31	-47.59
CCS(=O)(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572080	0	38	-1.0	-42.46	322.66	-1.40	-43.86
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1CCNC1=O	REAL300025572081	0	37	-1.0	-44.97	319.91	0.95	-44.02
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C12	REAL300025572082	0	39	-1.0	-45.44	346.63	4.32	-41.12
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025572083	0	36	-1.0	-39.17	328.07	3.05	-36.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=C(F)C=C21	REAL300025572084	0	30	-1.0	-36.63	281.25	3.14	-33.49
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572085	0	41	-1.0	-48.75	359.41	3.32	-45.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C3NC=NC3=C2)=C1	REAL300025572086	0	41	-1.0	-57.30	358.80	2.69	-54.61
COC1=CC=C(CC(=O)NCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025572087	0	48	-1.0	-43.47	413.12	3.16	-40.31
CC(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300025572088	0	43	-1.0	-42.11	371.82	3.62	-38.49
O=C(CCOC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572089	0	48	-1.0	-45.29	392.72	3.49	-41.80
O=C(CCCC1=CC=CS1)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572090	0	44	-1.0	-49.91	390.65	4.44	-45.47
COC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572091	0	34	-1.0	-41.06	306.89	1.97	-39.09
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025572092	0	35	-1.0	-53.66	328.04	-3.37	-57.03
CSC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL300025572093	0	31	-1.0	-46.30	292.13	2.58	-43.72
O=C(CCNC(=O)OCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025572094	0	31	-1.0	-40.00	298.82	-2.16	-42.16
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC(Br)=CS2)=N1	REAL300025572095	0	27	-1.0	-39.23	301.48	1.50	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025572096	0	40	0.0	-46.39	319.16	3.58	-42.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025572096	1	40	0.0	-48.16	324.93	4.10	-44.06
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=CC=C1	REAL300025572096	1	39	-1.0	-38.67	325.66	2.12	-36.55
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572097	0	38	-1.0	-43.99	325.98	3.74	-40.25
CCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572098	0	34	-1.0	-40.07	308.52	3.84	-36.23
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025572099	0	42	-1.0	-41.33	354.23	1.55	-39.78
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300025572100	0	46	-1.0	-41.55	384.14	6.10	-35.45
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300025572101	0	35	-1.0	-45.99	315.82	2.67	-43.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300025572102	0	37	-1.0	-37.30	330.27	1.77	-35.53
NC(=O)C1CCCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025572103	0	43	-1.0	-45.19	349.72	-1.07	-46.26
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1	REAL300025572104	0	38	-1.0	-39.36	344.19	2.45	-36.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300025572105	0	28	-1.0	-35.33	286.64	1.93	-33.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=C(Br)C=C2N1	REAL300025572106	0	28	-1.0	-34.11	282.66	1.67	-32.44
CC1=CC=C(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1F	REAL300025572107	0	38	-1.0	-39.08	344.74	1.88	-37.20
CC1=CC(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)=CC=C1F	REAL300025572108	0	38	-1.0	-37.73	344.74	1.88	-35.85
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1NC(=O)C1=CC=CC=C1F	REAL300025572109	0	41	-1.0	-43.86	351.10	4.33	-39.53
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025572110	0	43	0.0	-54.40	342.47	4.65	-49.75
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025572110	1	43	0.0	-54.41	342.42	4.65	-49.76
CCCCCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572111	0	46	-1.0	-37.84	383.10	5.10	-32.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CS1	REAL300025572112	0	32	-1.0	-40.25	295.61	3.47	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300025572113	0	31	-1.0	-40.78	299.23	2.72	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300025572114	0	31	-1.0	-39.48	323.12	4.69	-34.79
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025572115	0	31	-1.0	-38.13	292.78	-0.34	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300025572116	0	32	-1.0	-36.20	300.97	0.79	-35.41
CC1=CNC(=O)N1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572117	0	35	-1.0	-43.97	313.64	1.92	-42.05
CC1=CC=C(C)C(OCCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572118	0	43	-1.0	-38.20	360.10	4.32	-33.88
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025572119	0	31	-1.0	-36.49	292.92	-0.33	-36.82
CC(C)OC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572120	0	34	-1.0	-37.92	309.50	3.76	-34.16
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300025572121	0	31	-1.0	-40.81	288.91	2.26	-38.55
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572122	0	33	-1.0	-41.92	307.22	-3.79	-45.71
COC1=CC=C(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025572123	0	35	-1.0	-43.76	311.98	1.50	-42.26
CC(SCC1=NC=C(C2=CC=C(Cl)C=C2)O1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572124	0	40	-1.0	-41.50	380.64	2.65	-38.85
CC1=CC=CC=C1NC1=NC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)S1	REAL300025572125	0	38	-1.0	-40.12	354.14	4.76	-35.36
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025572126	0	36	-1.0	-35.95	319.33	3.97	-31.98
CC1=CC=CC(OCCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572127	0	40	-1.0	-38.13	340.02	3.58	-34.55
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025572128	0	41	-1.0	-36.02	355.68	1.44	-34.58
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572129	0	41	-1.0	-46.87	346.81	4.18	-42.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1	REAL300025572130	0	41	-1.0	-42.57	353.41	5.27	-37.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300025572131	0	34	-1.0	-38.86	320.56	3.22	-35.64
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025572132	0	32	-1.0	-45.42	309.98	-0.76	-46.18
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300025572133	0	27	-1.0	-41.99	297.04	1.49	-40.50
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572134	0	30	-1.0	-41.83	318.07	2.32	-39.51
NC(=O)C1=CC=C(C=CC(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572135	0	46	-1.0	-54.08	391.83	0.60	-53.48
CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572136	0	40	-1.0	-34.86	321.97	-0.71	-35.57
CC(C)(C)C(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572137	0	43	-1.0	-42.44	332.11	1.53	-40.91
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL300025572138	0	37	-1.0	-41.83	331.05	1.88	-39.95
C=CCOC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025572139	0	31	-1.0	-38.79	297.82	-0.07	-38.86
O=C(CSCC1=CC=C(Cl)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025572140	0	31	-1.0	-37.92	320.97	4.04	-33.88
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=C(C)C=CC(C)=C12	REAL300025572141	0	36	-1.0	-40.58	306.64	3.26	-37.32
CC(C)C(NC(=O)CC1=CC2=CC=CC=C2C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572142	0	49	-1.0	-40.23	402.12	4.71	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300025572143	0	30	-1.0	-39.55	292.41	2.22	-37.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)(F)F	REAL300025572144	0	27	-1.0	-36.91	271.67	1.30	-35.61
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025572145	0	39	-1.0	-41.16	340.77	1.73	-39.43
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1	REAL300025572146	0	35	-1.0	-37.68	333.90	3.01	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300025572147	0	35	-1.0	-46.54	305.51	2.22	-44.32
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O	REAL300025572148	0	35	-1.0	-43.51	329.90	3.15	-40.36
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC(C)C	REAL300025572149	0	45	-1.0	-46.62	371.57	4.97	-41.65
CCCN1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025572150	0	42	-1.0	-46.48	359.22	4.62	-41.86
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=N1	REAL300025572151	0	33	-1.0	-42.20	294.77	0.55	-41.65
CC(=O)NC1(C2=NOC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)CCCCCC1	REAL300025572152	0	51	-1.0	-43.62	398.10	1.39	-42.23
CS(=O)(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572153	0	35	-1.0	-42.36	291.51	-1.50	-43.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1O	REAL300025572154	0	39	-1.0	-42.66	354.42	1.76	-40.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-]	REAL300025572154	1	38	-2.0	-104.80	350.86	2.76	-102.04
CC1=CSC(C(O)(CC(=O)NCC2=NC(=O)O[N-]2)C(F)(F)F)=N1	REAL300025572155	0	33	-1.0	-36.53	309.21	-1.02	-37.55
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572156	0	39	-1.0	-40.09	349.85	4.73	-35.36
CC(C)OC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572157	0	34	-1.0	-40.21	304.96	3.65	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCOC2=C1	REAL300025572158	0	27	-1.0	-36.24	268.43	0.35	-35.89
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025572159	0	45	-1.0	-40.84	380.71	1.55	-39.29
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300025572160	0	31	-1.0	-39.04	315.94	3.46	-35.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300025572161	0	44	-1.0	-36.13	355.62	4.67	-31.46
O=C(CCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572162	0	34	-1.0	-42.98	308.62	0.24	-42.74
CNC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025572163	0	39	-1.0	-46.37	340.26	-0.35	-46.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC(F)=CC=C21	REAL300025572164	0	39	-1.0	-35.09	340.36	5.16	-29.93
CC1=CC=C(OCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C(C)=C1	REAL300025572165	0	41	-1.0	-40.66	358.62	3.91	-36.75
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300025572166	0	37	-1.0	-37.68	312.13	1.60	-36.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1	REAL300025572167	0	38	-1.0	-39.72	349.10	4.84	-34.88
O=C(CN1C=CC2=CC=C(Cl)C=C21)NCC1=NC(=O)O[N-]1	REAL300025572168	0	31	-1.0	-39.72	295.62	3.71	-36.01
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572169	0	37	-1.0	-40.82	330.12	1.05	-39.77
O=C(CC1=CC=C(NC(=O)C2=CC3=CC=CC=C3O2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572170	0	44	-1.0	-43.38	389.05	4.15	-39.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC=C2C2=CC=C(F)C=C2)C=C1	REAL300025572171	0	41	-1.0	-40.07	359.68	5.35	-34.72
O=C(CCC1=NC=C(C2=CC=CC=C2Br)O1)NCC1=NC(=O)O[N-]1	REAL300025572172	0	36	-1.0	-39.65	341.20	1.47	-38.18
CC(C)OC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025572173	0	33	-1.0	-38.29	305.05	0.26	-38.03
CC1=NN(C2=CC=CC=N2)C2=NC(C3CC3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025572174	0	45	-1.0	-42.76	384.92	5.39	-37.37
O=C(CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572175	0	44	-1.0	-42.00	383.58	6.16	-35.84
COC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025572176	0	33	-1.0	-40.96	295.72	0.25	-40.71
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(C2CC2)=NN1	REAL300025572177	0	28	-1.0	-34.84	275.17	0.31	-34.53
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(C2=CC=CC=C2)=NN1	REAL300025572178	0	31	-1.0	-35.96	299.19	1.56	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025572179	0	30	-1.0	-40.20	292.04	1.85	-38.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL300025572180	0	37	-1.0	-59.55	324.17	4.08	-55.47
CS(=O)(=O)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C2C=CC=CN21	REAL300025572181	0	33	-1.0	-55.50	309.06	-1.18	-56.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1O	REAL300025572182	0	25	-1.0	-36.18	251.25	0.21	-35.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025572182	1	24	-2.0	-89.83	247.68	1.22	-88.61
CCCCN(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572183	0	41	-1.0	-38.40	337.21	3.94	-34.46
CCCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572184	0	41	-1.0	-38.23	337.51	4.10	-34.13
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1Cl	REAL300025572185	0	30	-1.0	-38.80	289.03	1.37	-37.43
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=N2)=N1	REAL300025572186	0	29	-1.0	-48.26	283.92	-0.01	-48.27
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(Br)C=C2C1=O	REAL300025572187	0	30	-1.0	-56.31	291.43	1.78	-54.53
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025572187	1	29	-2.0	-86.73	288.20	1.34	-85.39
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=C(O)C=CC=C3C=C2)CC1	REAL300025572188	0	45	-1.0	-42.47	370.16	0.98	-41.49
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025572189	0	37	-1.0	-35.41	310.80	0.05	-35.36
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=NC=CC=N2)C2=CC=CC=C2O1	REAL300025572190	0	39	-1.0	-45.79	362.65	3.93	-41.86
CC1=NN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025572191	0	27	-1.0	-36.54	269.46	-0.15	-36.69
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300025572192	0	47	-1.0	-39.61	387.91	6.92	-32.69
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Br)=C1	REAL300025572193	0	38	-1.0	-39.94	349.04	5.62	-34.32
CC(C)(C)OC(=O)NCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572194	0	49	-1.0	-40.90	398.24	1.63	-39.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1	REAL300025572195	0	35	-1.0	-38.18	330.86	5.63	-32.55
COCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025572196	0	38	-1.0	-40.88	331.44	2.68	-38.20
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL300025572197	0	32	-1.0	-36.47	301.23	0.35	-36.12
CN1C2=NC(CCC(=O)NCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025572198	0	35	-2.0	-80.71	319.49	-2.92	-83.63
CN1C2=C(N=C(CCC(=O)NCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025572198	1	35	-2.0	-78.83	319.63	-2.18	-81.01
CN1C2=C(NC(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025572198	1	36	-1.0	-40.68	322.70	-1.82	-42.50
CN1C2=C([N-]C(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025572198	1	35	-2.0	-78.97	319.32	-2.27	-81.24
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025572199	0	36	-1.0	-46.29	316.97	1.95	-44.34
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=N1	REAL300025572200	0	33	-1.0	-39.81	294.94	0.63	-39.18
COC1=CC=C2C(=C1)OC(C(=O)NCC1=NC(=O)O[N-]1)=C2C1=CC=CC=C1	REAL300025572201	0	41	-1.0	-42.56	359.92	4.38	-38.18
CC1=C(C)C2=C(NC(CCC(=O)NCC3=NC(=O)O[N-]3)=NC2=O)S1	REAL300025572202	0	38	-1.0	-49.45	339.62	0.99	-48.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300025572203	0	34	-1.0	-38.83	304.63	2.10	-36.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(F)=C1	REAL300025572204	0	24	-1.0	-35.16	248.11	1.71	-33.45
CCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572205	0	33	-1.0	-42.57	303.24	-0.52	-43.09
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025572206	0	33	-1.0	-44.89	310.70	2.87	-42.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300025572207	0	31	-1.0	-43.36	286.48	2.37	-40.99
CC(=O)C1=CC=CC(OCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572208	0	39	-1.0	-45.72	337.61	2.52	-43.20
O=C(CNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572209	0	35	-1.0	-37.81	317.01	-0.19	-38.00
CC(C)(C)NS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572210	0	44	-1.0	-46.03	368.58	-0.10	-46.13
CC1=NN(C(F)F)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572211	0	33	-1.0	-39.89	299.86	0.65	-39.24
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1CC(C)OC(C)C1	REAL300025572212	0	45	-1.0	-36.53	335.91	0.60	-35.93
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025572212	1	46	0.0	-47.37	346.86	2.41	-44.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=C(Cl)C=C1Cl	REAL300025572213	0	35	-1.0	-39.72	340.43	6.06	-33.66
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025572214	0	38	-1.0	-45.80	331.20	2.50	-43.30
O=C(CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)NCC1=NC(=O)O[N-]1	REAL300025572215	0	38	-1.0	-43.78	338.13	2.40	-41.38
O=C(CC1=CSC(CC2=CC=C(F)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572216	0	36	-1.0	-42.25	339.00	3.44	-38.81
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300025572217	0	41	-1.0	-46.56	334.28	4.79	-41.77
CC1=CC=CC=C1N1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025572218	0	41	-1.0	-45.80	341.52	4.85	-40.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=C(Cl)C=C1Cl	REAL300025572219	0	34	-1.0	-40.82	338.89	3.51	-37.31
N#CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025572220	0	29	-1.0	-40.94	291.50	2.54	-38.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCSCC2)=CN1	REAL300025572221	0	38	-1.0	-41.99	347.31	-1.42	-43.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)S2)=N1	REAL300025572222	0	30	-1.0	-35.96	314.39	2.32	-33.64
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300025572223	0	27	-1.0	-35.76	272.09	2.33	-33.43
COC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025572224	0	34	-1.0	-43.13	314.70	1.40	-41.73
CS(=O)(=O)C1=CC=C(OCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572225	0	43	-1.0	-45.55	379.28	0.44	-45.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CS2)C2=CC=CC=C2O1	REAL300025572226	0	38	-1.0	-40.95	363.14	5.52	-35.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300025572227	0	31	-1.0	-48.57	291.10	2.00	-46.57
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300025572228	0	31	-1.0	-41.56	294.20	2.92	-38.64
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572229	0	47	-1.0	-39.83	368.36	2.67	-37.16
COC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)COC2=C1	REAL300025572230	0	36	-1.0	-37.60	305.26	0.89	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300025572231	0	30	-1.0	-45.50	290.55	1.29	-44.21
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)NCC1=NC(=O)O[N-]1	REAL300025572232	0	44	-1.0	-40.71	372.87	7.43	-33.28
O=C(CCCOC1=CC=C(F)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025572233	0	34	-1.0	-40.45	309.75	2.26	-38.19
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025572234	0	37	-1.0	-39.21	338.73	0.56	-38.65
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL300025572235	0	35	-1.0	-37.57	305.25	3.74	-33.83
CC(C)CN1N=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025572236	0	38	-1.0	-38.34	325.22	2.09	-36.25
CCCCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572237	0	44	-1.0	-38.29	359.01	4.88	-33.41
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025572238	0	39	-1.0	-48.33	354.12	4.26	-44.07
CC1=NC(S(=O)(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CN1C	REAL300025572239	0	45	-1.0	-46.80	382.88	-0.19	-46.99
CCOC(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1)OCC	REAL300025572240	0	40	-1.0	-42.38	347.77	-0.94	-43.32
O=C(CSCC(=O)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572241	0	33	-1.0	-44.74	310.23	2.95	-41.79
CCN1C=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025572242	0	37	-1.0	-41.18	321.96	4.41	-36.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300025572243	0	34	-1.0	-42.24	302.51	3.26	-38.98
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025572244	0	32	-1.0	-42.77	316.56	2.53	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300025572245	0	32	-1.0	-39.01	316.58	2.53	-36.48
NS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572246	0	32	-1.0	-47.94	299.38	-3.29	-51.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1	REAL300025572247	0	42	-1.0	-45.66	356.94	-1.30	-46.96
O=C(CCC1=NC(C2=NNC=N2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025572248	0	31	-1.0	-46.63	293.47	-1.73	-48.36
O=C(CCCOC1=CC=CC(Cl)=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025572249	0	34	-1.0	-40.93	328.32	3.15	-37.78
CC(=O)CCC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572250	0	39	-1.0	-41.71	342.14	3.75	-37.96
CC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C(C)=C1	REAL300025572251	0	36	-1.0	-37.00	325.09	3.82	-33.18
CC(=O)CCC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572252	0	42	-1.0	-40.92	358.79	4.36	-36.56
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025572253	0	43	-1.0	-36.72	348.41	5.25	-31.47
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1	REAL300025572254	0	30	-1.0	-43.43	317.48	3.27	-40.16
N#CCCCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572255	0	37	-1.0	-50.53	345.59	0.80	-49.73
N#CC1=CC=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025572256	0	36	-1.0	-40.36	320.63	2.38	-37.98
O=C(CC1=CC(Cl)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025572257	0	27	-1.0	-36.46	276.71	2.67	-33.79
NS(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572258	0	32	-1.0	-48.51	299.39	-3.30	-51.81
CC1=NC2=CC(=O)NN2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572259	0	39	-1.0	-45.24	332.73	0.56	-44.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572259	1	38	-2.0	-92.68	329.89	-0.28	-92.96
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572260	0	36	-1.0	-39.44	316.67	1.68	-37.76
COC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025572261	0	34	-1.0	-42.25	310.16	2.36	-39.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CS1	REAL300025572262	0	21	-1.0	-34.76	234.74	0.67	-34.09
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C(F)=C1	REAL300025572263	0	34	-1.0	-39.81	316.52	1.48	-38.33
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025572264	0	32	-1.0	-42.18	309.12	-1.67	-43.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL300025572265	0	37	-1.0	-37.88	304.90	-0.12	-38.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCC3=CC=CC=C3C2)C=C1	REAL300025572266	0	43	-1.0	-37.94	352.27	4.43	-33.51
CN1C=CN=C1SCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572267	0	38	-1.0	-41.82	346.91	4.56	-37.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=C(F)C=C2)C2=CC=CC=C2O1	REAL300025572268	0	41	-1.0	-40.38	376.71	6.43	-33.95
O=C(NCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CC=C2F)C2=CC=CC=C2O1	REAL300025572269	0	41	-1.0	-43.94	376.06	6.40	-37.54
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025572270	0	36	-1.0	-48.40	333.45	3.84	-44.56
O=C(CCC1=CC=C(Br)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025572271	0	30	-1.0	-36.69	293.90	3.19	-33.50
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572272	0	45	-1.0	-39.82	370.91	6.18	-33.64
CCN(C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025572273	0	41	-1.0	-38.16	326.33	3.60	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2=CC=CS2)C=C1	REAL300025572274	0	39	-1.0	-40.77	368.86	0.17	-40.60
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025572275	0	42	0.0	-46.57	320.02	3.81	-42.76
CCN(CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025572275	1	41	-1.0	-35.76	324.39	1.83	-33.93
O=C(CS(=O)(=O)CC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025572276	0	33	-1.0	-50.48	329.94	0.28	-50.20
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300025572277	0	31	-1.0	-47.56	294.89	2.89	-44.67
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)S1	REAL300025572278	0	30	-1.0	-38.29	300.26	2.88	-35.41
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025572279	0	38	-1.0	-38.51	329.18	4.11	-34.40
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025572280	0	44	-1.0	-40.11	339.92	4.64	-35.47
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C(C)C1=CC=CC=C1	REAL300025572281	0	44	-1.0	-41.56	345.92	5.12	-36.44
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CC=N1	REAL300025572282	0	40	-1.0	-45.29	340.95	3.84	-41.45
O=C(CCCOC1=CC=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025572283	0	34	-1.0	-40.31	313.15	2.68	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CO2)NC1=O	REAL300025572284	0	31	-1.0	-50.43	282.98	-0.00	-50.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1	REAL300025572285	0	40	-1.0	-41.26	346.70	1.46	-39.80
CS(=O)(=O)C1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572286	0	40	-1.0	-46.51	357.78	-0.34	-46.85
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572287	0	45	0.0	-61.31	356.41	5.05	-56.26
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572287	1	45	0.0	-61.81	356.87	5.07	-56.74
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025572288	0	30	-1.0	-42.91	320.27	2.83	-40.08
CC1=NC2=CC=C(Br)C=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572289	0	32	-1.0	-35.97	300.18	2.64	-33.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300025572290	0	38	-1.0	-41.52	332.75	4.05	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL300025572291	0	31	-1.0	-37.80	293.70	3.73	-34.07
CC(=O)C1=CC=CC(OC(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572292	0	36	-1.0	-45.43	312.58	2.65	-42.78
CC1=NN(CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025572293	0	40	-1.0	-39.50	342.75	3.61	-35.89
CCCN(CC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025572294	0	40	-1.0	-39.05	334.74	3.53	-35.52
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025572295	0	33	-1.0	-41.24	307.01	3.86	-37.38
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025572296	0	28	-1.0	-36.77	266.78	0.98	-35.79
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025572297	0	35	-2.0	-97.94	341.44	-1.08	-99.02
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCSCC1	REAL300025572298	0	40	-1.0	-35.57	337.48	2.74	-32.83
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1	REAL300025572299	0	44	-1.0	-51.51	365.15	1.55	-49.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300025572300	0	41	-1.0	-41.04	354.25	4.83	-36.21
CC(C)(C)OC(=O)N1CCC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)CC1	REAL300025572301	0	50	-1.0	-44.88	407.02	1.29	-43.59
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C2OCOC2=C1	REAL300025572302	0	41	-1.0	-46.40	344.32	1.88	-44.52
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025572303	0	30	-1.0	-39.54	282.12	1.01	-38.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2N1	REAL300025572304	0	28	-1.0	-36.56	275.88	1.58	-34.98
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572305	0	36	-1.0	-38.74	326.95	4.98	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025572306	0	43	0.0	-59.60	342.43	4.69	-54.91
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025572307	0	37	-1.0	-41.79	335.82	-3.27	-45.06
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025572308	0	45	0.0	-59.04	348.02	4.56	-54.48
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025572308	1	45	0.0	-59.14	338.82	4.13	-55.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1	REAL300025572309	0	32	-1.0	-39.69	314.31	0.99	-38.70
CC1=CC=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572310	0	27	-1.0	-36.59	264.27	2.80	-33.79
CCCNC(=O)NC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572311	0	42	-1.0	-43.82	359.97	0.85	-42.97
CC1CCC(NS(=O)(=O)CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572312	0	41	-1.0	-43.56	338.17	-1.69	-45.25
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(Br)C=C1	REAL300025572313	0	35	-1.0	-37.09	320.12	4.30	-32.79
COCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025572314	0	37	-1.0	-36.79	325.26	-1.43	-38.22
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572315	0	34	-1.0	-37.66	318.78	4.44	-33.22
O=C(NCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2Cl)C2=CC=CC=C2O1	REAL300025572316	0	41	-1.0	-43.57	376.02	5.30	-38.27
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572317	0	36	-1.0	-42.23	335.46	1.35	-40.88
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572318	0	33	-1.0	-37.49	293.99	1.69	-35.80
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572319	0	33	-1.0	-36.89	299.91	2.48	-34.41
O=C(CC1CCCC1)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572320	0	50	-1.0	-39.40	385.90	3.47	-35.93
O=C(CC1CCCCC1)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572321	0	53	-1.0	-39.20	402.56	4.11	-35.09
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300025572322	0	33	-1.0	-42.80	318.12	2.60	-40.20
CCCOC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025572323	0	40	-1.0	-40.97	361.17	2.89	-38.08
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)NCC1=NC(=O)O[N-]1	REAL300025572324	0	38	-1.0	-41.74	347.07	-1.11	-42.85
O=C(CNS(=O)(=O)C1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025572325	0	29	-1.0	-39.47	313.45	-2.84	-42.31
CCC(C)C(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572326	0	43	-1.0	-42.30	339.85	2.03	-40.27
CS(=O)(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025572327	0	32	-1.0	-42.34	300.06	-2.17	-44.51
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025572328	0	33	-1.0	-38.57	327.43	2.87	-35.70
CS(=O)(=O)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025572329	0	30	-1.0	-51.98	290.89	-2.57	-54.55
O=C(NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1)C1CCCC1	REAL300025572330	0	47	-1.0	-42.67	370.18	2.33	-40.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1I	REAL300025572331	0	26	-1.0	-33.59	271.04	2.79	-30.80
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300025572332	0	30	-1.0	-37.41	283.15	2.95	-34.46
CC1=NC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025572333	0	35	-1.0	-46.60	323.37	-3.68	-50.28
CC1=NC(S(=O)(=O)NCCC(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025572334	0	38	-1.0	-50.01	345.43	-3.04	-53.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1	REAL300025572335	0	41	-1.0	-38.94	339.09	2.45	-36.49
COCCS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572336	0	37	-1.0	-42.28	336.91	-1.43	-43.71
CC(C)COC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572337	0	44	-1.0	-39.19	358.20	2.34	-36.85
CC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025572338	0	40	-1.0	-39.39	341.84	3.07	-36.32
CC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025572339	0	38	-1.0	-46.79	334.35	2.21	-44.58
CC1=CC=CC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025572340	0	33	-1.0	-42.90	299.88	1.41	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1I	REAL300025572341	0	24	-1.0	-35.91	249.27	2.19	-33.72
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025572342	0	30	-1.0	-45.29	296.54	2.08	-43.21
CCC(C)N1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C)N=C21	REAL300025572343	0	41	-1.0	-37.04	345.62	2.93	-34.11
O=C(CC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025572344	0	27	-1.0	-36.99	267.04	2.34	-34.65
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)O1	REAL300025572345	0	33	-1.0	-45.30	304.52	-1.18	-46.48
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025572346	0	30	-1.0	-36.25	299.07	3.50	-32.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300025572347	0	37	-1.0	-37.36	330.00	1.75	-35.61
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL300025572348	0	31	-1.0	-42.71	299.38	-0.98	-43.69
O=C(CC1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572349	0	36	-1.0	-40.40	348.48	3.69	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=NC=CC=N2)S1	REAL300025572350	0	28	-1.0	-42.15	279.76	-0.68	-42.83
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1C(C)C	REAL300025572351	0	42	-1.0	-45.96	355.88	4.81	-41.15
CCN1C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572352	0	28	-1.0	-37.33	269.52	1.98	-35.35
CC1=CC=C(CCC(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572353	0	40	-1.0	-38.06	347.52	1.70	-36.36
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL300025572354	0	39	-1.0	-42.19	325.13	-0.10	-42.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL300025572355	0	34	-1.0	-37.83	307.95	1.43	-36.40
CC(C)OC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025572356	0	40	-1.0	-41.06	357.57	2.72	-38.34
N#CC1=CC=CC(OCC2=C(C(=O)NCC3=NC(=O)O[N-]3)OC=C2)=C1	REAL300025572357	0	36	-1.0	-39.27	334.65	2.78	-36.49
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CSC=C2)O1	REAL300025572358	0	33	-1.0	-42.72	312.31	-0.28	-43.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300025572359	0	35	-1.0	-37.36	326.49	4.43	-32.93
COC1=CC=C(C(=O)NC2=CC(F)=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572360	0	42	-1.0	-37.44	363.29	2.89	-34.55
CC1=NN(CCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1[N+](=O)[O-]	REAL300025572361	0	35	-1.0	-38.47	320.60	1.51	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300025572362	0	34	-1.0	-40.04	312.91	2.86	-37.18
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025572363	0	30	-1.0	-41.56	294.54	-0.92	-42.48
O=C(NCC1=NC(=O)O[N-]1)C(OC1CCCC1)C1=CC=CC=C1	REAL300025572364	0	41	-1.0	-37.49	344.36	4.90	-32.59
CC(C)(C)C1=CC=C(CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572365	0	48	-1.0	-36.58	386.34	6.42	-30.16
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300025572366	0	33	-1.0	-40.85	314.43	0.52	-40.33
COC1=CC=C(CN2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025572367	0	42	-1.0	-41.80	359.53	1.93	-39.87
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572368	0	37	-1.0	-39.64	326.71	-0.92	-40.56
CC(NC(=O)C1=NNC2=CC=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572368	1	37	-1.0	-41.41	328.52	-0.95	-42.36
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CS1	REAL300025572369	0	36	-1.0	-46.55	332.86	0.35	-46.20
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)NCC1=NC(=O)O[N-]1	REAL300025572370	0	37	-1.0	-45.51	329.28	-1.12	-46.63
O=C(CCNC(=O)C1=NNC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025572370	1	37	-1.0	-45.31	331.09	-1.15	-46.46
CC(NC(=O)CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572371	0	43	-1.0	-37.19	344.11	1.34	-35.85
N#CC1=CC=C(C(=O)NCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572372	0	32	-1.0	-39.17	300.90	-0.07	-39.24
CC1=CC(C(=O)N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025572373	0	43	-1.0	-45.50	362.22	4.38	-41.12
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300025572374	0	45	-1.0	-51.03	374.51	3.55	-47.48
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300025572374	1	44	-2.0	-110.29	370.90	4.50	-105.79
CS(=O)(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025572375	0	36	-1.0	-50.97	332.58	-0.17	-51.14
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572376	0	35	-1.0	-41.70	299.63	1.92	-39.78
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025572377	0	38	-2.0	-98.40	356.86	1.86	-96.54
CC1=CC=C(NS(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025572377	1	39	-1.0	-42.07	357.00	1.43	-40.64
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300025572378	0	37	-1.0	-46.43	328.21	4.02	-42.41
CC1(C)CC2=C(SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C2=CC=CC=C21	REAL300025572379	0	41	-1.0	-39.25	350.32	5.70	-33.55
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025572380	0	42	0.0	-58.08	337.32	2.80	-55.28
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025572380	1	42	0.0	-54.86	331.03	3.00	-51.86
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025572381	0	34	-1.0	-35.76	314.36	4.05	-31.71
COCCOCC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572382	0	48	-1.0	-44.98	390.91	0.42	-44.56
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL300025572383	0	33	-1.0	-37.45	318.04	2.74	-34.71
O=C(CN1C2=CC=CC=C2CCCC1=O)NCC1=NC(=O)O[N-]1	REAL300025572384	0	38	-1.0	-42.90	315.93	3.09	-39.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300025572385	0	39	-1.0	-38.53	331.21	3.13	-35.40
CCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025572386	0	39	-1.0	-48.15	354.95	4.60	-43.55
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1	REAL300025572387	0	37	-1.0	-48.89	344.71	4.75	-44.14
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025572388	0	36	-1.0	-46.83	347.15	4.04	-42.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300025572389	0	31	-1.0	-40.39	306.71	1.40	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCOC2=C1	REAL300025572390	0	30	-1.0	-38.17	285.91	0.88	-37.29
COC1=CC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572391	0	28	-1.0	-37.80	269.73	2.23	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300025572392	0	40	-1.0	-45.21	361.49	3.46	-41.75
COC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(F)(F)F	REAL300025572393	0	41	-1.0	-40.71	367.32	3.12	-37.59
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025572394	0	29	-1.0	-39.47	308.82	-2.95	-42.42
COC1=CC=CC=C1C1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025572395	0	38	-1.0	-38.93	315.19	2.77	-36.16
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572396	0	34	-1.0	-39.04	329.17	4.88	-34.16
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025572397	0	34	-1.0	-34.21	308.18	3.82	-30.39
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)NCC1=NC(=O)O[N-]1	REAL300025572398	0	30	-1.0	-44.97	305.34	3.30	-41.67
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CCC(C)C	REAL300025572399	0	48	-1.0	-46.31	398.32	5.90	-40.41
CCCCN1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025572400	0	45	-1.0	-46.44	380.72	5.40	-41.04
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCO1	REAL300025572401	0	47	-1.0	-47.56	392.87	4.24	-43.32
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025572402	0	49	-1.0	-45.74	388.98	6.01	-39.73
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300025572403	0	46	-1.0	-45.16	398.73	7.05	-38.11
CC1=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300025572404	0	43	-1.0	-44.86	383.74	6.44	-38.42
COC1=CC=C(N2C(C)=CC(C=C(C#N)C(=O)NCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025572405	0	47	-1.0	-45.92	406.81	5.64	-40.28
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025572406	0	46	-1.0	-45.36	381.57	3.22	-42.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1Cl	REAL300025572407	0	23	-1.0	-34.42	250.12	0.31	-34.11
COC1=CC=C(CCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572408	0	43	-1.0	-38.83	361.15	4.18	-34.65
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572409	0	46	-1.0	-34.77	359.08	1.58	-33.19
CCCC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572410	0	35	-1.0	-42.68	306.40	1.86	-40.82
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572411	0	34	-1.0	-36.21	313.15	2.33	-33.88
CC(C)C(SCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572412	0	40	-1.0	-36.65	344.49	5.52	-31.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300025572413	0	32	-1.0	-41.31	291.50	2.00	-39.31
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025572414	0	44	-1.0	-37.76	361.25	4.73	-33.03
O=C(COC1=CC=CC=C1OCC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025572415	0	35	-1.0	-44.67	325.34	2.76	-41.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300025572416	0	44	-1.0	-39.83	366.65	2.76	-37.07
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025572417	0	36	-1.0	-42.99	297.16	-3.61	-46.60
CCCCC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572418	0	38	-1.0	-42.80	327.90	2.64	-40.16
CCC=C(C)C(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572419	0	39	-1.0	-43.74	326.62	2.72	-41.02
CC(=O)CCC1=CC=C(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025572420	0	49	-1.0	-43.50	419.99	6.46	-37.04
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572421	0	44	-1.0	-39.55	370.66	6.72	-32.83
CN1N=C(Br)C2=C1N=CN(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025572422	0	32	-1.0	-47.86	315.81	1.43	-46.43
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)C1CCCCC1	REAL300025572423	0	43	-1.0	-41.83	347.37	1.57	-40.26
O=C(CCC1=CC=CC=C1OC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025572424	0	34	-1.0	-37.66	311.96	2.39	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL300025572425	0	29	-1.0	-39.97	284.28	0.26	-39.71
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCS(=O)(=O)CC1	REAL300025572426	0	42	-1.0	-41.54	354.46	-0.90	-42.44
CC1=CC=CC=C1C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025572427	0	33	-1.0	-43.72	301.91	2.07	-41.65
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300025572428	0	30	-1.0	-40.62	298.71	2.15	-38.47
CC(C)(C)C1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572429	0	45	-1.0	-37.36	364.84	5.64	-31.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300025572430	0	37	-1.0	-39.65	327.89	5.70	-33.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1Cl	REAL300025572431	0	24	-1.0	-34.39	261.42	2.65	-31.74
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572432	0	31	-1.0	-35.65	304.76	3.25	-32.40
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025572433	0	33	-1.0	-44.17	301.28	2.47	-41.70
CCC(=O)C1=CC=C(OCCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572434	0	45	-1.0	-41.28	381.52	4.20	-37.08
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572435	0	42	-1.0	-39.80	366.66	3.01	-36.79
O=C(NCC1=NC(=O)O[N-]1)[C@H]1COCC(=O)N1CC1=CC=CC=C1	REAL300025572436	0	39	-1.0	-37.81	330.83	0.78	-37.03
N#CC1=CC=C(OCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025572437	0	36	-1.0	-42.31	337.96	2.88	-39.43
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025572438	0	27	-1.0	-36.90	266.42	2.68	-34.22
CC(SC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572439	0	32	-1.0	-37.61	303.69	3.05	-34.56
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025572440	0	40	-1.0	-37.89	315.93	4.39	-33.50
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025572441	0	33	-1.0	-45.60	308.75	-1.57	-47.17
O=C(CC1=CNC2=CC(Cl)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025572442	0	31	-1.0	-39.68	294.37	2.29	-37.39
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572443	0	34	-1.0	-41.46	308.77	3.27	-38.19
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)CC1	REAL300025572444	0	41	-1.0	-37.45	332.51	2.31	-35.14
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)OCC(F)(F)F	REAL300025572445	0	35	-1.0	-42.04	321.60	0.75	-41.29
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025572446	0	36	-1.0	-39.32	306.16	1.42	-37.90
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025572447	0	37	-1.0	-41.17	322.61	1.53	-39.64
CCCS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572448	0	38	-1.0	-43.04	337.49	-0.55	-43.59
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300025572449	0	39	-1.0	-41.46	348.64	5.38	-36.08
O=C(CCC(=O)C1=CC=C2C=CC3=C4C(=CC=C3)C=CC1=C24)NCC1=NC(=O)O[N-]1	REAL300025572450	0	46	-1.0	-44.24	387.08	7.74	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCOCC1	REAL300025572451	0	36	-1.0	-38.71	304.16	0.21	-38.50
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572452	0	44	-1.0	-37.05	346.76	-0.84	-37.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NNC=N2)C=C1	REAL300025572453	0	34	-1.0	-43.73	320.88	3.14	-40.59
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)OC	REAL300025572454	0	41	-1.0	-42.90	357.96	2.64	-40.26
N#CC1=CC=C(OC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025572455	0	36	-1.0	-39.56	330.67	4.30	-35.26
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572456	0	37	-1.0	-33.24	330.19	3.94	-29.30
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C1=C2C=CSC2=NC=N1	REAL300025572457	0	37	-1.0	-42.67	326.52	2.18	-40.49
CC1=CC2=NC(C3=CC=CC=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1C	REAL300025572458	0	45	-1.0	-38.90	372.17	6.27	-32.63
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572459	0	40	-1.0	-38.12	340.60	2.85	-35.27
N#CC1=CC=C(N2CCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572460	0	37	-1.0	-38.56	322.43	2.07	-36.49
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572461	0	41	-1.0	-46.59	357.14	3.43	-43.16
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C3OCOC3=C2)S1	REAL300025572462	0	33	-1.0	-38.04	313.94	0.63	-37.41
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572463	0	46	-1.0	-34.96	356.45	0.74	-34.22
N#CCCN(C(=O)CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025572464	0	41	-1.0	-43.83	363.11	3.85	-39.98
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025572465	0	33	-1.0	-35.51	295.92	3.15	-32.36
CCOC1=CC=CC=C1C(CC(=O)NCC1=NC(=O)O[N-]1)NC(C)=O	REAL300025572466	0	44	-1.0	-39.80	365.18	1.07	-38.73
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025572467	0	33	-1.0	-47.09	326.19	3.48	-43.61
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CN=CC=N2)=N1	REAL300025572468	0	28	-1.0	-46.07	278.72	-1.87	-47.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1	REAL300025572469	0	38	-1.0	-45.67	337.44	3.18	-42.49
CCCN(CCC)C(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572470	0	45	-1.0	-44.60	369.39	3.24	-41.36
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572471	0	36	-1.0	-45.74	312.09	-0.23	-45.97
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572471	1	35	-2.0	-95.62	309.13	-1.07	-96.69
O=C(CC(C1=CC=CC=C1)N1CCOC1=O)NCC1=NC(=O)O[N-]1	REAL300025572472	0	39	-1.0	-47.79	330.25	2.63	-45.16
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572473	0	47	-1.0	-39.41	368.12	1.61	-37.80
CC(C)N(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025572474	0	46	-1.0	-39.66	367.20	2.72	-36.94
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572475	0	47	-1.0	-36.30	374.37	1.88	-34.42
CN1CCN(C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025572476	0	44	-1.0	-35.83	351.84	0.41	-35.42
C[NH+]1CCN(C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025572476	1	45	0.0	-56.02	354.74	2.76	-53.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCOCC2)=C1	REAL300025572477	0	40	-1.0	-38.46	329.10	-0.05	-38.51
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300025572478	0	38	-1.0	-52.16	336.18	1.85	-50.31
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025572479	0	36	-1.0	-43.26	331.41	2.42	-40.84
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C2OCCOC2=C1	REAL300025572480	0	39	-1.0	-45.19	339.52	0.37	-44.82
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025572481	0	39	-1.0	-41.07	353.46	3.20	-37.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1	REAL300025572482	0	34	-1.0	-37.74	324.47	1.94	-35.80
O=C(CC1=COC(C2=CC=CS2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572483	0	30	-1.0	-44.86	292.59	-0.73	-45.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL300025572484	0	34	-1.0	-39.50	307.79	4.99	-34.51
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025572485	0	39	-1.0	-54.52	325.82	0.73	-53.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025572486	0	24	-2.0	-90.29	246.81	1.24	-89.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1O	REAL300025572486	1	25	-1.0	-37.32	250.38	0.24	-37.08
O=C(CC1(CC(=O)NC2=NC=CS2)CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025572487	0	46	-1.0	-42.13	365.87	2.77	-39.36
O=C(CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025572487	1	45	-2.0	-88.42	362.57	1.64	-86.78
CC1CCN(C2=CC=C(NC(=O)CCC(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025572488	0	52	-1.0	-40.51	414.49	2.66	-37.85
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1F)C1=CC=CC=C1	REAL300025572489	0	38	-1.0	-40.05	343.51	5.49	-34.56
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1	REAL300025572490	0	32	-1.0	-49.54	306.68	1.42	-48.12
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300025572491	0	38	-1.0	-37.28	349.47	5.53	-31.75
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300025572492	0	38	-1.0	-37.43	349.90	5.56	-31.87
CC1=CC=C(SC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C(C)=C1	REAL300025572493	0	44	-1.0	-38.29	376.67	6.65	-31.64
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1Cl)C1=CC=CC=C1	REAL300025572494	0	38	-1.0	-38.86	352.75	5.91	-32.95
NC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025572495	0	35	-1.0	-43.92	315.74	-1.24	-45.16
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025572496	0	49	0.0	-48.87	379.55	5.94	-42.93
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCC(CC2=CC=CC=C2)CC1	REAL300025572496	1	48	-1.0	-36.97	377.77	3.83	-33.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025572497	0	32	-1.0	-43.59	296.01	0.79	-42.80
CC1=CC=CC(COC2=CC=CC(CC(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025572498	0	44	-1.0	-40.40	378.43	5.68	-34.72
CC1=CC=CC=C1COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572499	0	44	-1.0	-40.68	373.19	5.69	-34.99
O=C(CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025572500	0	41	-1.0	-39.69	373.76	5.53	-34.16
O=C(CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025572501	0	41	-1.0	-39.48	370.18	5.59	-33.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)C=C1F	REAL300025572502	0	34	-1.0	-39.27	306.15	4.60	-34.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL300025572503	0	30	-1.0	-41.54	281.65	0.77	-40.77
COC1=CC([N+](=O)[O-])=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1SC	REAL300025572504	0	34	-1.0	-38.99	314.20	3.11	-35.88
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572505	0	38	-1.0	-46.90	335.64	2.63	-44.27
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025572506	0	43	-1.0	-40.48	338.78	2.58	-37.90
CCCN(CCC)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572507	0	46	-1.0	-43.10	376.55	4.29	-38.81
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=CC1=O	REAL300025572508	0	33	-1.0	-50.36	304.26	3.49	-46.87
COC(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572509	0	36	-1.0	-39.34	321.96	3.20	-36.14
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C12	REAL300025572510	0	41	-1.0	-37.59	361.42	0.94	-36.65
COCCN1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C(C)=C1C	REAL300025572511	0	44	-1.0	-40.36	369.61	3.84	-36.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025572512	0	32	-2.0	-81.13	307.09	0.63	-80.50
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300025572513	0	44	-1.0	-36.72	348.17	0.43	-36.29
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572514	0	47	-1.0	-40.91	382.49	3.09	-37.82
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572515	0	50	0.0	-54.92	385.51	6.30	-48.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572515	1	50	0.0	-53.44	378.33	6.02	-47.42
O=C(CCCCCC1=CC=C(O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572516	0	40	-1.0	-39.20	342.67	2.03	-37.17
CC(C)C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025572517	0	30	-1.0	-34.54	284.98	0.01	-34.53
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025572518	0	48	0.0	-60.54	375.11	3.56	-56.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CN=C1	REAL300025572519	0	41	-1.0	-37.09	333.26	0.70	-36.39
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572520	0	46	0.0	-46.15	361.36	5.28	-40.87
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572520	1	46	0.0	-45.98	361.42	5.30	-40.68
CC1=CC=CC(CN2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572520	1	45	-1.0	-37.73	351.25	2.99	-34.74
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025572521	0	33	-1.0	-45.76	296.30	2.56	-43.20
O=C(CCCS(=O)C1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572522	0	35	-1.0	-47.52	340.73	1.99	-45.53
COCCC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572523	0	44	-1.0	-39.32	373.68	2.64	-36.68
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Br)=C1	REAL300025572524	0	34	-1.0	-38.32	318.30	3.24	-35.08
CC(C)(C)OC(=O)N1CCC(N2C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025572525	0	52	-1.0	-39.49	411.24	4.48	-35.01
CCC1=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025572526	0	37	-1.0	-40.99	320.57	3.20	-37.79
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572527	0	39	-1.0	-44.35	332.37	0.06	-44.29
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025572528	0	43	-1.0	-37.90	348.76	5.06	-32.84
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300025572529	0	34	-1.0	-40.92	310.94	3.78	-37.14
COC1=CC=C(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025572530	0	38	-1.0	-42.00	337.09	1.98	-40.02
CC1OC2=C(C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)NC1=O	REAL300025572531	0	33	-1.0	-41.02	290.10	0.19	-40.83
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)N2N=CC=C2N1	REAL300025572532	0	33	-1.0	-57.21	293.95	-0.07	-57.28
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C(C)=C1	REAL300025572533	0	44	-1.0	-45.60	362.91	5.52	-40.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300025572534	0	38	-1.0	-39.32	349.11	4.85	-34.47
O=C(CC1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025572535	0	30	-1.0	-39.04	274.84	2.39	-36.65
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NCC1=NC(=O)O[N-]1	REAL300025572536	0	38	-1.0	-41.19	330.73	1.78	-39.41
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572537	0	33	-1.0	-42.54	318.32	0.85	-41.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1	REAL300025572538	0	35	-1.0	-40.36	330.42	3.30	-37.06
CCCS(=O)(=O)C1=CC=CC=C1SC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572539	0	43	-1.0	-43.12	376.78	1.75	-41.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C(F)=C1	REAL300025572540	0	36	-1.0	-38.31	301.32	1.44	-36.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300025572541	0	37	-1.0	-35.93	314.94	0.18	-35.75
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025572542	0	37	-1.0	-42.76	324.43	0.14	-42.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300025572543	0	35	-1.0	-37.49	337.16	3.53	-33.96
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572544	0	42	-1.0	-43.94	365.67	5.35	-38.59
CC(C)(C)CC(=O)N1CSCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572545	0	41	-1.0	-41.43	338.10	2.83	-38.60
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572546	0	39	-1.0	-44.36	332.07	0.55	-43.81
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C(F)=C1	REAL300025572547	0	41	-1.0	-52.37	351.17	4.76	-47.61
CCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572548	0	40	-1.0	-38.81	332.09	2.79	-36.02
CCN(C)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572549	0	37	-1.0	-44.99	315.09	1.91	-43.08
CCCN(CC)C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572550	0	43	-1.0	-38.70	353.59	3.55	-35.15
COC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C(F)=C1	REAL300025572551	0	38	-1.0	-40.57	340.50	4.06	-36.51
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572552	0	33	-1.0	-35.95	313.67	3.94	-32.01
CN(C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1)C1=CC=CC=C1	REAL300025572553	0	41	-1.0	-45.73	343.42	4.06	-41.67
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300025572554	0	31	-1.0	-45.15	314.40	3.18	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C2=C1CCC2	REAL300025572555	0	38	-1.0	-47.27	354.37	5.13	-42.14
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)NCC1=NC(=O)O[N-]1	REAL300025572556	0	40	-1.0	-39.18	336.41	1.49	-37.69
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)NCC1=NC(=O)O[N-]1	REAL300025572557	0	43	-1.0	-44.29	358.53	2.12	-42.17
CC1CCCN(S(=O)(=O)C2=CN(C)C(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025572558	0	46	-1.0	-43.21	386.58	1.01	-42.20
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C(Cl)=C1)C1=CC=CC=C1	REAL300025572559	0	38	-1.0	-36.68	359.35	5.97	-30.71
CN(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025572560	0	35	-1.0	-37.11	304.51	0.55	-36.56
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025572561	0	31	-2.0	-109.10	293.82	0.43	-108.67
CC(C)(C)OC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025572562	0	41	-1.0	-39.67	348.82	1.42	-38.25
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C=C1C	REAL300025572563	0	40	-1.0	-39.22	338.12	5.73	-33.49
CCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572564	0	43	-1.0	-35.48	344.84	0.04	-35.44
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572565	0	42	-1.0	-49.89	369.27	2.01	-47.88
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C3OCCOC3=C2)C1=O	REAL300025572566	0	41	-1.0	-52.55	343.59	1.28	-51.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)C(F)F)N=C1	REAL300025572567	0	33	-1.0	-37.99	314.25	0.11	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300025572568	0	45	-1.0	-43.88	382.57	1.64	-42.24
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300025572569	0	41	-1.0	-40.94	350.32	3.95	-36.99
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025572570	0	31	-1.0	-41.91	305.87	-0.13	-42.04
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=NC=CC=C2Cl)N=C1	REAL300025572571	0	33	-1.0	-42.34	317.78	3.84	-38.50
CN1C=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=N1	REAL300025572572	0	30	-1.0	-40.00	292.75	-0.24	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300025572573	0	35	-1.0	-38.79	306.33	2.04	-36.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1	REAL300025572574	0	32	-1.0	-35.34	312.95	0.78	-34.56
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572575	0	42	-1.0	-42.91	353.47	1.35	-41.56
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300025572576	0	31	-1.0	-35.43	296.66	3.92	-31.51
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)C=C1	REAL300025572577	0	31	-1.0	-40.62	303.80	2.83	-37.79
CC(C)COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572578	0	40	-1.0	-38.00	338.71	3.45	-34.55
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C2C1	REAL300025572579	0	39	-1.0	-37.11	310.90	1.15	-35.96
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025572579	1	40	0.0	-49.02	319.79	3.83	-45.19
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025572579	1	40	0.0	-49.07	319.69	3.83	-45.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300025572580	0	29	-2.0	-78.90	277.77	-1.27	-80.17
CS(=O)(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572581	0	35	-1.0	-43.80	319.33	-1.56	-45.36
CC(C)(C)OC(=O)C1CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025572582	0	48	-1.0	-42.61	399.62	4.40	-38.21
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL300025572583	0	43	-1.0	-39.43	349.90	2.94	-36.49
CCC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025572584	0	44	-1.0	-45.78	372.51	5.47	-40.31
COC1=CC=CC=C1CC(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572585	0	40	-1.0	-38.84	330.21	3.09	-35.75
O=C(CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025572586	0	35	-1.0	-38.43	337.37	2.95	-35.48
O=C(CCC1=NC2=CC(Cl)=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025572587	0	32	-1.0	-38.25	315.60	2.47	-35.78
CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572588	0	47	-1.0	-39.42	400.81	2.29	-37.13
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NCC1=NC(=O)O[N-]1	REAL300025572589	0	35	-1.0	-38.67	318.12	0.56	-38.11
CC(C)(C)OC(=O)NC(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025572590	0	50	-1.0	-39.87	412.24	3.74	-36.13
CC1=CC=C(C(=O)NC(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025572591	0	47	-1.0	-43.84	401.73	5.26	-38.58
O=C(CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025572592	0	41	-1.0	-39.87	373.75	5.53	-34.34
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Br)=C2)N=C1	REAL300025572593	0	31	-1.0	-38.07	303.39	2.84	-35.23
CS(=O)(=O)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572594	0	30	-1.0	-45.59	298.06	-0.79	-46.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)N=C1	REAL300025572595	0	41	-1.0	-38.09	322.79	2.08	-36.01
O=C(CCC1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025572596	0	27	-1.0	-35.26	278.85	2.25	-33.01
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572597	0	36	-1.0	-40.33	336.85	4.37	-35.96
O=C(CC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025572598	0	27	-1.0	-37.84	263.46	2.20	-35.64
CCOC1=CC2=C(C=C1C1CC1C(=O)NCC1=NC(=O)O[N-]1)OC(C)C2	REAL300025572599	0	46	-1.0	-41.76	372.74	3.86	-37.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL300025572600	0	34	-1.0	-38.72	316.47	5.05	-33.67
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025572601	0	37	-1.0	-39.12	321.15	5.21	-33.91
COC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025572602	0	38	-1.0	-40.21	329.18	3.83	-36.38
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025572603	0	39	-1.0	-39.83	343.76	1.62	-38.21
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025572604	0	39	-1.0	-47.01	368.13	4.48	-42.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CC=C21	REAL300025572605	0	30	-1.0	-38.23	283.84	3.94	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C(F)=C1	REAL300025572606	0	24	-1.0	-34.95	254.41	2.19	-32.76
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)CC1	REAL300025572607	0	42	-1.0	-40.04	372.63	0.71	-39.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300025572608	0	31	-1.0	-40.66	283.78	2.41	-38.25
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Cl	REAL300025572609	0	33	-1.0	-45.75	310.14	1.87	-43.88
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025572610	0	38	-1.0	-36.77	343.17	5.47	-31.30
O=C(NCC1=NC(=O)O[N-]1)C(SC1=CC(F)=CC=C1F)C1=CC=CC=C1	REAL300025572611	0	38	-1.0	-38.35	348.95	5.52	-32.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300025572612	0	36	-1.0	-39.87	350.37	5.35	-34.52
CC1=CC=C2C(=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025572613	0	30	-1.0	-38.32	294.28	3.61	-34.71
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572614	0	49	-1.0	-40.31	407.36	5.68	-34.63
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025572615	0	40	-1.0	-43.31	356.81	-1.47	-44.78
CN1C(=O)CCC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025572616	0	41	-1.0	-36.98	330.73	2.90	-34.08
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025572617	0	33	-1.0	-47.38	324.41	0.74	-46.64
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025572618	0	43	-1.0	-43.48	367.52	4.61	-38.87
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300025572619	0	38	-1.0	-48.20	333.67	1.83	-46.37
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300025572620	0	37	-1.0	-44.98	334.23	0.80	-44.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Br)=C2)C=C1	REAL300025572621	0	35	-1.0	-37.22	331.05	4.52	-32.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1	REAL300025572622	0	35	-1.0	-36.06	322.44	4.05	-32.01
CC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C3=C2CCCC3)C=C1	REAL300025572623	0	44	-1.0	-44.92	364.48	5.14	-39.78
CC(C)(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025572624	0	43	-1.0	-40.10	377.20	4.86	-35.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300025572625	0	38	-1.0	-44.93	333.60	1.73	-43.20
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025572626	0	43	-1.0	-42.63	364.21	2.08	-40.55
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCCOC3=C2)=N1	REAL300025572627	0	36	-1.0	-42.42	332.87	1.02	-41.40
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025572628	0	34	-1.0	-40.89	317.60	2.87	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL300025572629	0	38	-1.0	-37.99	315.82	3.26	-34.73
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=N1	REAL300025572630	0	40	-1.0	-42.88	358.12	3.30	-39.58
CC(C)(C)OC(=O)NCCOCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572631	0	41	-1.0	-42.63	346.75	-1.09	-43.72
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL300025572632	0	40	-1.0	-44.46	340.96	2.00	-42.46
CC(OC1=CC=CC=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572633	0	31	-1.0	-39.37	291.72	2.87	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025572634	0	45	-1.0	-39.82	376.96	6.28	-33.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1	REAL300025572635	0	40	-1.0	-47.27	352.99	3.41	-43.86
O=C(CCCSC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572636	0	34	-1.0	-37.37	328.73	4.38	-32.99
O=C(CCCCOC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572637	0	37	-1.0	-36.93	339.91	3.53	-33.40
CSCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572638	0	44	-1.0	-38.92	382.68	2.93	-35.99
O=C(CC1CCC(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025572639	0	43	-1.0	-36.80	342.83	5.44	-31.36
CC1(C)CCC(C)(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025572640	0	46	-1.0	-37.24	350.74	5.22	-32.02
CCOC1=CC=C(C(=O)N2CSCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572641	0	43	-1.0	-47.04	366.43	3.56	-43.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CN1	REAL300025572642	0	22	-1.0	-35.54	236.48	-0.07	-35.61
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572643	0	40	-1.0	-36.94	341.68	0.23	-36.71
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)SC(Br)=C1	REAL300025572644	0	21	-1.0	-34.32	251.75	1.40	-32.92
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572645	0	31	-1.0	-38.04	293.75	2.83	-35.21
O=C(CCCCCNC(=O)NC1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025572646	0	51	-1.0	-42.89	409.63	1.62	-41.27
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC(Cl)=C1	REAL300025572647	0	38	-1.0	-38.96	334.77	3.00	-35.96
CC(=O)NCC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025572648	0	42	-1.0	-43.63	356.58	0.33	-43.30
CN1C(=O)CCC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(C(F)(F)F)C=C1	REAL300025572649	0	44	-1.0	-36.73	369.76	3.90	-32.83
COC1=C(OC)C=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025572650	0	36	-1.0	-38.17	313.54	0.21	-37.96
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C([N+](=O)[O-])S1	REAL300025572651	0	37	-1.0	-44.32	341.28	2.04	-42.28
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025572652	0	38	-1.0	-42.14	350.05	1.85	-40.29
O=C(CSC1=CC=CS1)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572653	0	39	-1.0	-43.03	369.04	3.36	-39.67
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025572654	0	41	-1.0	-51.87	369.01	2.02	-49.85
CC1=CC(OC(F)F)=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025572655	0	28	-1.0	-40.71	272.94	1.40	-39.31
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572656	0	43	-1.0	-38.16	359.44	2.45	-35.71
CC(C)C1=CC=C2C(=C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2Cl	REAL300025572657	0	36	-1.0	-37.60	333.02	4.87	-32.73
CC1CCC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)CC1	REAL300025572658	0	44	-1.0	-38.94	348.02	2.66	-36.28
CC1=NN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2F)C(C)=C1	REAL300025572659	0	37	-1.0	-40.08	328.55	3.44	-36.64
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300025572660	0	38	-1.0	-36.34	334.79	3.28	-33.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300025572661	0	38	-1.0	-43.98	334.39	1.55	-42.43
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025572662	0	41	-1.0	-45.77	337.11	2.80	-42.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1	REAL300025572663	0	35	-1.0	-36.03	322.46	4.02	-32.01
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572664	0	33	-1.0	-42.65	308.00	0.40	-42.25
O=C(CC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025572665	0	27	-1.0	-36.39	280.70	2.74	-33.65
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300025572666	0	33	-1.0	-42.47	315.93	1.75	-40.72
CN1C=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025572667	0	33	-1.0	-42.26	296.45	0.57	-41.69
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572668	0	43	-1.0	-38.16	356.41	2.41	-35.75
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025572669	0	44	-1.0	-41.33	371.63	3.05	-38.28
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572670	0	46	-1.0	-44.57	364.91	3.74	-40.83
CC1=NN=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025572671	0	32	-1.0	-39.38	293.94	-2.28	-41.66
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CN(C)N=C2)=N1	REAL300025572672	0	33	-1.0	-40.14	309.82	0.38	-39.76
CC1=CC=CC2=C1NC=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025572673	0	33	-1.0	-55.11	287.97	1.94	-53.17
CN1CCC(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025572674	0	37	-1.0	-37.86	305.94	-1.01	-38.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=CC=C2Cl)N=N1	REAL300025572675	0	33	-1.0	-41.94	330.92	2.86	-39.08
CC1=CC(F)=CC2=C1NC=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025572676	0	33	-1.0	-55.95	294.38	2.01	-53.94
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025572676	1	32	-2.0	-88.40	293.30	1.66	-86.74
CCN1C(=O)NC(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025572677	0	42	-1.0	-40.89	360.25	2.86	-38.03
COC1=CC=C(Cl)C=C1NCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572678	0	36	-1.0	-37.84	325.88	0.57	-37.27
CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NN1	REAL300025572679	0	33	-1.0	-41.32	298.15	1.77	-39.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NS1	REAL300025572680	0	30	-1.0	-36.80	285.97	2.26	-34.54
CC(C)(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2F)=N1	REAL300025572681	0	43	-1.0	-38.16	375.04	4.47	-33.69
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL300025572682	0	40	-1.0	-44.90	332.14	1.03	-43.87
COC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025572683	0	34	-1.0	-38.79	304.37	2.36	-36.43
CC(C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025572684	0	39	-1.0	-50.40	345.14	3.69	-46.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300025572685	0	36	0.0	-59.04	310.55	2.09	-56.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=NC=C2)C=C1	REAL300025572685	1	35	-1.0	-39.47	307.20	1.63	-37.84
COC1=CC=CC(NC2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572686	0	40	-1.0	-40.46	341.39	3.03	-37.43
CC1=CC(F)=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025572687	0	37	-1.0	-37.21	329.70	5.27	-31.94
O=C(CCNC1=NC=C(C(F)(F)F)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025572688	0	34	-1.0	-37.06	331.15	1.61	-35.45
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC1=CC=NC=C1	REAL300025572689	0	37	-1.0	-39.04	326.38	2.90	-36.14
N#CC1=CC=C(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025572690	0	39	-1.0	-41.37	353.22	4.73	-36.64
CCC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572691	0	36	-1.0	-35.35	318.97	4.37	-30.98
N#CCC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025572692	0	39	-1.0	-42.51	352.00	5.08	-37.43
COCCOC1=CC=C(N2N=C(C)C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025572693	0	44	-1.0	-40.44	383.24	0.75	-39.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL300025572694	0	35	-1.0	-35.04	312.26	1.40	-33.64
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025572695	0	33	-2.0	-86.53	312.59	0.61	-85.92
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025572695	1	34	-1.0	-48.58	314.93	1.08	-47.50
COC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)O2)C=C1	REAL300025572696	0	37	-1.0	-40.67	330.28	-0.35	-41.02
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300025572697	0	44	-1.0	-39.62	353.95	6.28	-33.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300025572698	0	34	-1.0	-38.15	304.67	2.15	-36.00
C[NH+](C)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025572699	0	39	0.0	-54.66	326.64	3.31	-51.35
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572700	0	34	-1.0	-35.50	297.96	3.02	-32.48
N#CC1=CC(Cl)=CC=C1OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572701	0	36	-1.0	-42.30	348.25	4.86	-37.44
N#CC1=C(Cl)C=CC=C1OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572702	0	36	-1.0	-45.34	346.93	4.76	-40.58
CC1=CC=C(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025572703	0	40	-1.0	-40.73	348.89	3.15	-37.58
CC(C)N1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N=C1C(F)(F)F	REAL300025572704	0	39	-1.0	-38.39	342.14	3.67	-34.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1	REAL300025572705	0	34	-1.0	-37.41	320.65	2.70	-34.71
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)C1=CC=CC=C1	REAL300025572706	0	41	-1.0	-51.30	328.60	3.23	-48.07
O=C(CSC1=NC=CN1C1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572707	0	38	-1.0	-39.47	364.82	5.10	-34.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(COC2=CC=CC(F)=C2)=C1	REAL300025572708	0	38	-1.0	-40.50	338.82	4.38	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCC1	REAL300025572709	0	38	-1.0	-41.46	314.01	4.49	-36.97
O=C(CN1C(=O)CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025572710	0	35	-1.0	-43.30	300.91	2.42	-40.88
CC1=CC=CC(N2C(=O)NC(CCC(=O)NCC3=NC(=O)O[N-]3)C2=O)=C1	REAL300025572711	0	42	-1.0	-44.17	357.86	1.32	-42.85
O=C(CCC1NC(=O)N(C2=CC=C(Cl)C=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025572712	0	39	-1.0	-42.14	353.23	1.17	-40.97
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC2=CC=CC=C21	REAL300025572713	0	37	-1.0	-38.95	316.25	5.19	-33.76
N#CC1=CC=CC(OCCCCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572714	0	38	-1.0	-39.62	339.46	3.30	-36.32
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572715	0	35	-1.0	-41.34	315.62	-1.48	-42.82
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=NC=CC=C2Cl)N=C1	REAL300025572716	0	33	-1.0	-45.31	315.35	3.56	-41.75
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(I)=C1	REAL300025572717	0	21	-1.0	-34.81	240.67	1.19	-33.62
CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025572718	0	44	-1.0	-50.20	351.96	3.56	-46.64
CC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025572719	0	33	-1.0	-42.15	297.99	0.11	-42.04
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCOC1=CC=CC=C12	REAL300025572720	0	36	-1.0	-37.32	300.60	2.75	-34.57
O=C(CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025572721	0	39	-1.0	-39.56	353.24	4.44	-35.12
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)NCC1=NC(=O)O[N-]1	REAL300025572722	0	35	-1.0	-38.70	335.41	-0.98	-39.68
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572723	0	38	-1.0	-44.86	324.45	3.99	-40.87
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025572724	0	40	-2.0	-105.11	349.52	2.20	-102.91
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572725	0	44	-1.0	-37.08	346.14	3.57	-33.51
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC(Cl)=CC(Cl)=C1	REAL300025572726	0	31	-1.0	-35.55	307.13	4.09	-31.46
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572727	0	43	-1.0	-37.54	363.22	3.16	-34.38
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572728	0	40	-1.0	-38.06	348.25	2.64	-35.42
N#CC1=CC=C(N2C(=O)NC(CCC(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025572729	0	40	-1.0	-43.59	356.71	1.10	-42.49
N#CC1=CC=CC(OCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025572730	0	39	-1.0	-42.56	353.24	4.71	-37.85
CCOC(=O)N1C(C(=O)NCC2=NC(=O)O[N-]2)CCC1C1=CC=C(C)O1	REAL300025572731	0	45	-1.0	-47.27	381.77	3.49	-43.78
CC(C)C(=O)N(C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572732	0	43	-1.0	-41.89	355.35	3.36	-38.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(C2=CC=CC=C2)=N1	REAL300025572733	0	33	-1.0	-38.42	299.25	0.22	-38.20
CC(C)=CCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572734	0	38	-1.0	-38.49	324.78	3.30	-35.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC(NCC2=CC=CC=C2)=NC2=CC=CC=C21	REAL300025572735	0	44	-1.0	-37.54	374.20	4.92	-32.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=NC=CS2)=C1	REAL300025572736	0	31	-1.0	-39.91	296.30	-0.22	-40.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300025572737	0	33	-1.0	-40.54	302.34	-0.45	-40.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1SCC1CCCCC1	REAL300025572738	0	43	-1.0	-38.13	357.91	4.65	-33.48
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572739	0	39	-1.0	-45.97	352.62	4.75	-41.22
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2C1CCCC1	REAL300025572740	0	48	-1.0	-45.28	385.54	4.83	-40.45
CC(OC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572741	0	31	-1.0	-37.06	292.60	2.86	-34.20
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025572742	0	38	-1.0	-40.95	326.90	2.85	-38.10
CCC1=NC(COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025572743	0	39	-1.0	-41.02	345.36	0.62	-40.40
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572744	0	43	-1.0	-38.29	358.82	6.46	-31.83
COCCOCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025572745	0	38	-1.0	-38.95	335.35	1.21	-37.74
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572746	0	41	-1.0	-42.84	352.90	-3.02	-45.86
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)N2CCC3=C(C=CS3)C2)C1	REAL300025572747	0	47	-1.0	-46.34	381.14	3.66	-42.68
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1Br	REAL300025572748	0	31	-1.0	-41.56	308.09	2.90	-38.66
CC1=CC=C(NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)N=N1	REAL300025572749	0	37	-1.0	-43.03	324.68	2.54	-40.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl	REAL300025572750	0	36	-1.0	-50.16	330.85	0.15	-50.01
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)NC(C)(C)C	REAL300025572751	0	45	-1.0	-47.48	366.12	1.54	-45.94
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025572752	0	41	-1.0	-40.06	355.60	1.81	-38.25
COC1=CC=C(COCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572753	0	38	-1.0	-37.97	330.68	1.13	-36.84
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300025572754	0	34	-1.0	-48.51	321.22	3.20	-45.31
N#CC1=CC=C(NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025572755	0	37	-1.0	-39.61	333.33	3.79	-35.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL300025572756	0	34	-1.0	-41.85	300.82	0.50	-41.35
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025572757	0	38	-1.0	-37.25	327.90	1.36	-35.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)NC1=O	REAL300025572758	0	37	-1.0	-50.79	301.17	1.13	-49.66
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572759	0	41	-1.0	-40.42	335.75	1.10	-39.32
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572760	0	33	-1.0	-45.07	315.78	-0.01	-45.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL300025572761	0	36	-1.0	-39.52	312.47	3.38	-36.14
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572762	0	41	-1.0	-39.43	348.22	3.91	-35.52
COC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572763	0	28	-1.0	-40.03	269.73	2.23	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC=CC=N2)=N1	REAL300025572764	0	31	-1.0	-42.63	296.01	1.60	-41.03
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=C(Cl)C=C([N+](=O)[O-])C=C2Cl)C=C1	REAL300025572765	0	33	-1.0	-40.15	340.74	3.93	-36.22
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)N=C1	REAL300025572766	0	30	-1.0	-37.41	286.51	0.74	-36.67
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025572767	0	36	-1.0	-36.70	319.32	3.96	-32.74
CC(C)C1=CC=C(C(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572768	0	42	-1.0	-35.75	340.81	4.90	-30.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300025572769	0	39	-1.0	-42.37	341.19	2.85	-39.52
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572770	0	36	-1.0	-35.80	321.20	4.01	-31.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C(F)C=C21	REAL300025572771	0	30	-1.0	-40.71	274.40	0.18	-40.53
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572772	0	46	-1.0	-38.23	360.29	0.20	-38.03
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572773	0	36	-1.0	-36.79	321.54	4.02	-32.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300025572774	0	32	-1.0	-42.04	307.50	3.25	-38.79
CN1C(=O)N(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Br)C=C21	REAL300025572775	0	34	-1.0	-38.84	317.08	2.60	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300025572776	0	30	-1.0	-37.88	274.03	0.15	-37.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300025572777	0	36	-1.0	-40.49	318.65	2.44	-38.05
CN(C)C(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572778	0	36	-1.0	-48.97	309.74	0.79	-48.18
O=C(CC1=CSC(C2=COC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572779	0	30	-1.0	-42.33	292.51	0.69	-41.64
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300025572780	0	33	-1.0	-44.73	317.52	1.76	-42.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300025572781	0	26	-1.0	-34.10	265.56	2.34	-31.76
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC1=CN(C)N=C1	REAL300025572782	0	42	-1.0	-42.55	364.32	2.00	-40.55
O=C(CCC1=NC(C2=COC=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025572783	0	32	-1.0	-40.23	300.00	-0.87	-41.10
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300025572784	0	33	-1.0	-39.41	317.17	2.57	-36.84
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025572785	0	42	-1.0	-40.90	351.92	-0.17	-41.07
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025572785	1	41	-2.0	-103.33	348.35	0.84	-102.49
CC1=CC=C(C)C(C(C)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C)=C1	REAL300025572786	0	51	-1.0	-38.95	408.89	6.40	-32.55
O=C(CC1CN(CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025572787	0	43	-1.0	-39.50	353.18	1.73	-37.77
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025572787	1	44	0.0	-62.97	348.87	3.95	-59.02
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025572787	1	44	0.0	-62.39	355.65	4.00	-58.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1CCOCC1	REAL300025572788	0	40	-1.0	-37.93	324.01	0.94	-36.99
COC1=CC=C(NC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025572789	0	36	-1.0	-40.41	329.51	0.81	-39.60
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025572790	0	38	-1.0	-45.06	352.26	-0.89	-45.95
O=C(CC1=CNC2=CC=C(Cl)C=C12)NCC1=NC(=O)O[N-]1	REAL300025572791	0	31	-1.0	-41.12	294.46	2.29	-38.83
COC1=CC=CC(CC2(C(=O)NCC3=NC(=O)O[N-]3)CC3CCC2C3)=C1	REAL300025572792	0	48	-1.0	-39.83	369.04	4.81	-35.02
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025572793	0	36	-1.0	-45.63	318.24	3.11	-42.52
CC1=CSC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025572794	0	33	-1.0	-37.81	307.36	2.53	-35.28
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572795	0	35	-1.0	-41.09	321.90	4.11	-36.98
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572796	0	43	-1.0	-38.24	336.75	-0.38	-38.62
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300025572797	0	33	-1.0	-39.59	302.58	2.07	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCCCC2)=N1	REAL300025572798	0	37	-1.0	-39.90	310.82	2.00	-37.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300025572799	0	33	-1.0	-46.37	305.35	0.69	-45.68
CN(CC(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025572800	0	37	-1.0	-47.27	348.66	0.12	-47.15
COCCC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572801	0	40	-1.0	-37.11	352.64	3.43	-33.68
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Br)S2)=N1	REAL300025572802	0	27	-1.0	-42.02	301.68	1.62	-40.40
CSC1=CC=C(OC(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572803	0	35	-1.0	-38.09	311.49	3.24	-34.85
CCCNC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572804	0	37	-1.0	-44.50	320.54	0.93	-43.57
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1OCC(=O)N1CCCCC1	REAL300025572805	0	51	-1.0	-42.57	414.34	5.51	-37.06
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025572806	0	47	-1.0	-40.01	389.34	2.07	-37.94
O=C(NCC1=NC(=O)O[N-]1)C1CN(CC2=NC3=CC=CC=C3C(=O)N2)CCO1	REAL300025572807	0	45	-1.0	-43.31	377.97	0.33	-42.98
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572808	0	38	-1.0	-43.54	331.89	1.73	-41.81
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300025572809	0	48	-1.0	-43.00	396.91	4.59	-38.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL300025572810	0	37	-1.0	-37.88	317.24	1.25	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)(F)F)=C1	REAL300025572811	0	30	-1.0	-36.15	289.93	-0.82	-36.97
CC(C)CNC(=O)N1CCCC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572812	0	48	-1.0	-47.89	377.07	2.07	-45.82
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(OC(F)F)C=C1F	REAL300025572813	0	28	-1.0	-41.04	276.57	0.57	-40.47
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(=O)O[N-]1)=C(C)N2CC1=CC=CC=C1	REAL300025572814	0	48	-1.0	-47.13	406.65	6.25	-40.88
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572815	0	45	-1.0	-50.01	371.80	3.77	-46.24
CC(C)=CCSC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572816	0	38	-1.0	-39.74	329.89	4.89	-34.85
CC(C)(C)OC(=O)N1CCN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C1	REAL300025572817	0	45	-1.0	-46.13	369.17	0.71	-45.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCNC2=O)=CC=C1F	REAL300025572818	0	34	-1.0	-39.85	298.12	-0.15	-40.00
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025572819	0	46	-1.0	-37.53	383.94	3.71	-33.82
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300025572820	0	51	-1.0	-41.88	412.53	5.01	-36.87
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572821	0	39	-1.0	-58.82	353.15	1.68	-57.14
CC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025572822	0	37	-1.0	-37.44	326.48	0.94	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL300025572823	0	40	-1.0	-37.56	333.08	1.23	-36.33
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300025572823	1	41	0.0	-52.07	328.29	3.32	-48.75
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300025572823	1	41	0.0	-55.93	335.44	3.49	-52.44
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300025572824	0	43	-1.0	-49.36	366.16	3.16	-46.20
O=C(CCN1C(=O)CCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025572825	0	38	-1.0	-41.46	321.93	2.87	-38.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300025572826	0	35	-1.0	-36.59	341.94	4.93	-31.66
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572827	0	42	-1.0	-49.07	360.17	1.14	-47.93
CC(C)C1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025572828	0	44	-1.0	-47.19	359.27	4.07	-43.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300025572829	0	40	-1.0	-43.45	363.15	2.53	-40.92
CC(C)CNC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572830	0	45	-1.0	-45.08	358.55	1.37	-43.71
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025572831	0	46	-1.0	-42.46	384.62	2.81	-39.65
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O	REAL300025572832	0	35	-1.0	-45.35	339.49	3.73	-41.62
CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025572833	0	41	-1.0	-37.96	334.56	2.25	-35.71
CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)[NH+]=C1	REAL300025572833	1	42	0.0	-53.09	335.36	2.54	-50.55
COCCNS(=O)(=O)C1=CNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572834	0	37	-1.0	-42.35	341.46	-5.12	-47.47
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025572835	0	43	0.0	-46.12	339.99	4.60	-41.52
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025572835	1	43	0.0	-47.69	330.52	4.45	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC=C1	REAL300025572835	1	42	-1.0	-37.29	337.80	2.35	-34.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300025572836	0	37	-1.0	-48.51	322.90	0.20	-48.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCOC2=O)=CC=C1F	REAL300025572837	0	33	-1.0	-57.43	294.34	1.20	-56.23
CC1=C2NC=C(CCC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025572838	0	37	-1.0	-39.65	320.29	3.24	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300025572839	0	34	-1.0	-38.93	339.13	2.29	-36.64
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025572840	0	40	-2.0	-102.91	349.51	2.20	-100.71
CC1=CC=C(N2CCCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572841	0	39	-1.0	-39.97	317.98	3.37	-36.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Cl)=C1[O-]	REAL300025572842	0	24	-2.0	-85.57	263.71	1.74	-83.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCCC1	REAL300025572843	0	41	-1.0	-41.34	329.86	5.05	-36.29
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572844	0	43	-1.0	-39.82	362.04	2.11	-37.71
O=C(NCC1=NC(=O)O[N-]1)C1COCC(=O)N1CC1=CC=CC=C1	REAL300025572845	0	39	-1.0	-37.87	332.99	0.82	-37.05
CCS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572846	0	38	-1.0	-46.99	342.51	-1.24	-48.23
O=C(NCC1=NC(=O)O[N-]1)C1=C(CCC(F)(F)F)OC=N1	REAL300025572847	0	29	-1.0	-40.37	279.24	-1.58	-41.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300025572848	0	29	-1.0	-38.74	284.13	3.72	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025572849	0	24	-1.0	-35.12	248.10	1.71	-33.41
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300025572850	0	24	-2.0	-88.21	264.51	-0.18	-88.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C=C(Cl)C=C1Cl	REAL300025572850	1	25	-1.0	-37.58	268.07	-0.96	-38.54
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NCC1=NC(=O)O[N-]1	REAL300025572851	0	35	-1.0	-43.97	310.89	1.20	-42.77
O=C(COC1=CC(Cl)=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025572852	0	28	-1.0	-36.42	288.13	2.64	-33.78
CC1=NC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025572853	0	33	-1.0	-42.53	305.63	2.48	-40.05
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025572854	0	39	-1.0	-45.04	330.60	-0.54	-45.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025572855	0	34	-1.0	-38.18	314.19	4.65	-33.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=N2)N=N1	REAL300025572856	0	32	-1.0	-46.75	298.33	-0.58	-47.33
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572857	0	41	-1.0	-41.57	335.10	2.58	-38.99
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1OC	REAL300025572858	0	39	-1.0	-43.43	338.79	-0.61	-44.04
CN(CCCC(=O)NCC1=NC(=O)O[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025572859	0	42	-1.0	-57.27	366.40	0.39	-56.88
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025572860	0	33	-1.0	-37.29	294.50	3.07	-34.22
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C(F)C=C1	REAL300025572861	0	32	-1.0	-41.64	291.36	2.64	-39.00
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025572862	0	40	-1.0	-39.66	363.29	0.07	-39.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300025572863	0	36	-2.0	-90.47	350.44	-1.46	-91.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-]	REAL300025572863	1	35	-3.0	-179.40	346.88	-0.46	-179.86
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025572864	0	30	-2.0	-93.79	285.59	3.35	-90.44
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300025572864	1	31	-1.0	-39.34	289.15	2.35	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2CCCC2)C1	REAL300025572865	0	46	-1.0	-45.65	362.25	2.00	-43.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CN=C1	REAL300025572866	0	38	-1.0	-40.32	327.06	2.26	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300025572867	0	35	-1.0	-43.99	314.73	2.70	-41.29
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572868	0	34	-1.0	-36.36	316.92	3.33	-33.03
CCCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025572869	0	39	-1.0	-50.14	346.31	4.05	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300025572870	0	33	-1.0	-42.25	336.73	1.00	-41.25
CC(C)(C)C(=O)N1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572871	0	41	-1.0	-45.46	326.05	0.38	-45.08
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025572872	0	43	-1.0	-39.77	360.92	5.12	-34.65
CCC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025572873	0	37	-1.0	-39.99	327.70	4.24	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300025572874	0	35	-1.0	-35.35	342.57	4.96	-30.39
CC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572875	0	27	-1.0	-36.55	258.48	2.35	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C2OCCOC2=C1	REAL300025572876	0	38	-1.0	-44.63	329.50	1.73	-42.90
CC1=CC=C(CN2C(=O)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572877	0	41	-1.0	-39.70	349.63	3.35	-36.35
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCO1	REAL300025572878	0	48	-1.0	-45.10	382.20	2.31	-42.79
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572879	0	34	-1.0	-44.20	310.23	2.96	-41.24
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(F)=C1)N1CCOCC1	REAL300025572880	0	40	-1.0	-37.29	335.00	0.57	-36.72
CC(C(=O)NCC1=NC(=O)O[N-]1)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300025572881	0	50	-1.0	-40.83	395.12	3.07	-37.76
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1N1C=NC=N1	REAL300025572882	0	33	-1.0	-39.07	289.90	4.52	-34.55
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572883	0	33	-1.0	-38.90	290.33	4.25	-34.65
CC(C(=O)NCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300025572884	0	35	-1.0	-41.39	315.96	1.39	-40.00
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025572885	0	50	-1.0	-38.71	403.46	3.46	-35.25
COCCCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572886	0	38	-1.0	-39.97	327.63	1.14	-38.83
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL300025572887	0	36	-1.0	-45.42	321.14	-1.42	-46.84
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1NC(=O)CC(C)C	REAL300025572888	0	43	-1.0	-44.07	354.37	3.01	-41.06
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC(F)F	REAL300025572889	0	36	-1.0	-38.63	322.63	0.60	-38.03
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL300025572890	0	29	-1.0	-38.94	282.42	-0.31	-39.25
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572891	0	44	-1.0	-36.92	347.22	3.63	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025572892	0	41	-1.0	-43.03	337.78	2.86	-40.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOCC2)C=C1	REAL300025572893	0	39	-1.0	-37.85	322.91	1.42	-36.43
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1CCNC1=O	REAL300025572894	0	38	-1.0	-46.68	330.13	-0.56	-47.24
CC(C)CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025572895	0	40	-1.0	-39.01	340.68	2.23	-36.78
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C(Br)=C1	REAL300025572896	0	24	-1.0	-40.26	246.25	-1.40	-41.66
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572897	0	40	-1.0	-50.13	358.54	-0.96	-51.09
CC(C)(C)C(=O)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025572898	0	37	-1.0	-51.44	323.66	0.08	-51.36
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1C1CCS(=O)(=O)C1	REAL300025572899	0	43	-1.0	-51.90	367.01	0.64	-51.26
CCC(CC)C(C(=O)NCC1=NC(=O)O[N-]1)N1CCOCC1	REAL300025572900	0	45	-1.0	-35.95	323.06	1.94	-34.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL300025572901	0	30	-1.0	-42.42	283.64	1.76	-40.66
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CCCC2)=N1	REAL300025572902	0	36	-1.0	-35.99	312.43	2.19	-33.80
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572903	0	28	-1.0	-37.55	280.30	2.59	-34.96
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025572904	0	36	-1.0	-35.07	313.73	4.35	-30.72
COC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025572905	0	38	-1.0	-39.45	320.42	1.47	-37.98
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(I)=CN=C2C=C1	REAL300025572906	0	27	-1.0	-35.28	275.59	2.54	-32.74
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572907	0	38	-1.0	-43.14	332.94	2.20	-40.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300025572908	0	38	-1.0	-40.24	330.24	4.99	-35.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300025572909	0	28	-1.0	-37.48	264.59	1.96	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300025572910	0	34	-2.0	-92.72	316.52	4.56	-88.16
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572911	0	42	-1.0	-35.32	357.77	5.66	-29.66
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025572912	0	44	-1.0	-40.21	367.32	6.22	-33.99
O=C(CCCCC1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025572913	0	36	-1.0	-36.59	326.88	4.62	-31.97
CCCOC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572914	0	40	-1.0	-37.09	340.00	3.56	-33.53
O=C(NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)OCC(F)(F)F	REAL300025572915	0	35	-1.0	-39.20	329.65	0.66	-38.54
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025572916	0	33	-1.0	-34.77	305.27	1.51	-33.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl	REAL300025572917	0	35	-1.0	-45.79	346.52	4.79	-41.00
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025572918	0	36	-1.0	-48.42	309.58	-0.94	-49.36
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025572919	0	44	-1.0	-39.21	382.63	7.18	-32.03
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025572920	0	31	-2.0	-98.47	295.73	0.35	-98.12
CCC1=CC=C(C(=O)N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)O1	REAL300025572921	0	44	-1.0	-39.95	362.28	2.68	-37.27
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025572922	0	40	-1.0	-41.54	331.61	-0.22	-41.76
CC(C)N1C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572923	0	31	-1.0	-36.93	288.48	2.55	-34.38
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572924	0	41	-1.0	-41.44	340.66	1.00	-40.44
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)CC1CC1	REAL300025572925	0	44	-1.0	-41.97	360.42	3.24	-38.73
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025572926	0	33	-1.0	-36.98	298.27	3.48	-33.50
CCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025572927	0	36	-1.0	-50.41	324.81	3.28	-47.13
COC1=CC=C(C2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025572928	0	34	-1.0	-37.39	317.33	1.27	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CS2)N=N1	REAL300025572929	0	30	-1.0	-43.10	293.90	0.33	-42.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL300025572930	0	36	-1.0	-36.35	313.36	3.54	-32.81
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(Br)=C1)N1CCCC1	REAL300025572931	0	39	-1.0	-36.65	343.40	2.67	-33.98
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1F)N1CCOCC1	REAL300025572932	0	40	-1.0	-40.34	327.49	0.62	-39.72
CC(CC(=O)NCC1=NC(=O)O[N-]1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300025572933	0	39	-1.0	-52.16	351.27	-0.93	-53.09
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572934	0	40	-1.0	-38.88	340.53	2.06	-36.82
O=C(NCC1=NC(=O)O[N-]1)C1CCC(C2=CC=CC=C2)CC1	REAL300025572935	0	40	-1.0	-37.97	317.64	4.60	-33.37
CC(C)(C)C(=O)NC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025572936	0	39	-1.0	-42.44	344.31	0.88	-41.56
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025572936	1	38	-2.0	-88.54	343.01	-0.22	-88.76
COC1=CC(NC(=O)OC(C)(C)C)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572937	0	45	-1.0	-39.26	384.12	2.48	-36.78
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572938	0	34	-1.0	-50.60	319.25	-4.44	-55.04
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=C3C=CSC3=NC=N2)C1	REAL300025572939	0	40	-1.0	-41.18	341.03	2.53	-38.65
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=C(Cl)C=C1Cl)N1CCOCC1	REAL300025572940	0	40	-1.0	-37.48	349.64	1.63	-35.85
CC(CC(=O)C1=CC=CC(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572941	0	35	-1.0	-38.24	324.00	3.59	-34.65
O=C(CCC1=NN=CN1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572942	0	36	-1.0	-41.21	318.61	4.75	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300025572943	0	39	-1.0	-38.02	359.17	3.55	-34.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL300025572944	0	34	-1.0	-43.71	316.94	0.81	-42.90
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025572945	0	36	-1.0	-38.74	313.42	3.77	-34.97
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025572946	0	44	-1.0	-39.08	371.55	3.06	-36.02
CC(C)C1=NN(C)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025572947	0	36	-1.0	-37.84	327.05	2.06	-35.78
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025572948	0	39	-2.0	-91.07	353.71	-2.79	-93.86
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300025572948	1	40	-1.0	-42.30	354.80	-2.82	-45.12
CC1=CC=C2C(CCC(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025572949	0	37	-1.0	-39.56	320.43	3.25	-36.31
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C)=C1Br	REAL300025572950	0	28	-1.0	-37.48	285.13	1.80	-35.68
CC(C)(C)OC(=O)N1CCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572951	0	44	-1.0	-39.26	349.95	1.71	-37.55
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025572952	0	44	-1.0	-43.75	361.67	2.24	-41.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1[O-]	REAL300025572953	0	24	-2.0	-85.06	263.53	1.75	-83.31
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025572954	0	41	-1.0	-40.39	353.76	-0.31	-40.70
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300025572955	0	34	-1.0	-36.61	311.01	3.55	-33.06
CCCCCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572956	0	53	-1.0	-35.40	422.22	7.32	-28.08
CC1=C(Br)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572957	0	27	-1.0	-35.19	255.05	2.25	-32.94
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572958	0	41	-1.0	-39.63	353.08	2.19	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL300025572959	0	37	-1.0	-41.48	329.84	2.62	-38.86
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025572960	0	27	-1.0	-36.04	275.32	2.18	-33.86
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025572961	0	35	-1.0	-38.91	313.84	-0.51	-39.42
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NCC1=NC(=O)O[N-]1	REAL300025572962	0	32	-1.0	-38.14	320.17	2.57	-35.57
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572963	0	39	-1.0	-51.70	334.42	0.33	-51.37
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025572964	0	27	-1.0	-36.98	260.58	2.24	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1F	REAL300025572965	0	27	-1.0	-38.97	263.55	2.11	-36.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300025572966	0	37	-1.0	-40.45	328.40	3.28	-37.17
CC(C)OC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025572967	0	34	-1.0	-36.16	311.67	2.52	-33.64
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)C=C1S(N)(=O)=O	REAL300025572968	0	32	-1.0	-39.12	305.95	-2.64	-41.76
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025572969	0	44	-1.0	-38.04	353.34	0.63	-37.41
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025572970	0	43	-1.0	-38.61	345.20	1.59	-37.02
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=C(F)C=C1	REAL300025572971	0	42	-1.0	-36.52	344.76	2.61	-33.91
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025572971	1	43	0.0	-49.98	346.36	4.66	-45.32
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025572971	1	43	0.0	-49.96	346.39	4.68	-45.28
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(F)C=C1	REAL300025572972	0	39	-1.0	-35.81	324.99	1.45	-34.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300025572973	0	34	-1.0	-38.64	323.86	1.80	-36.84
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025572974	0	37	-1.0	-50.26	322.70	2.38	-47.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1I	REAL300025572975	0	30	-1.0	-37.37	288.78	4.40	-32.97
CC1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2N1C	REAL300025572976	0	37	-1.0	-37.67	310.92	-1.24	-38.91
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025572977	0	47	-1.0	-39.66	390.91	1.84	-37.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300025572978	0	26	-1.0	-38.90	266.72	3.34	-35.56
O=C(CCC1=CC(Cl)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025572979	0	30	-1.0	-35.82	301.10	3.52	-32.30
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025572980	0	41	-1.0	-39.56	341.72	1.08	-38.48
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025572981	0	51	-1.0	-40.66	390.04	3.71	-36.95
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300025572982	0	42	-1.0	-37.68	348.45	4.95	-32.73
O=C(NCC1=NC(=O)O[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL300025572983	0	38	-1.0	-39.57	327.66	3.00	-36.57
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025572984	0	46	-1.0	-37.56	374.66	7.07	-30.49
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300025572985	0	34	-1.0	-41.88	324.07	3.28	-38.60
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025572986	0	30	-1.0	-36.87	293.60	3.24	-33.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025572987	0	37	-2.0	-103.72	323.43	2.08	-101.64
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CNC(=O)NC1=O	REAL300025572988	0	27	-1.0	-46.33	262.57	-4.02	-50.35
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300025572989	0	35	-1.0	-41.27	320.70	-2.13	-43.40
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300025572990	0	34	-1.0	-35.93	309.47	3.94	-31.99
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300025572991	0	34	-1.0	-36.75	305.01	3.84	-32.91
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025572992	0	38	-1.0	-37.96	317.83	2.60	-35.36
CC1=CC(C)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)=C1	REAL300025572993	0	40	-1.0	-37.07	331.00	4.64	-32.43
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300025572994	0	34	-1.0	-36.25	309.56	3.94	-32.31
CC(C)(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025572995	0	46	-1.0	-36.82	364.47	5.64	-31.18
COC1=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)=CC=C1C	REAL300025572996	0	41	-1.0	-38.01	337.86	3.37	-34.64
CC(C)COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025572997	0	47	-1.0	-37.74	381.13	5.04	-32.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300025572998	0	34	-1.0	-36.00	320.27	4.28	-31.72
CC(C)OCCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572999	0	38	-1.0	-42.83	339.50	-4.09	-46.92
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025573000	0	34	-2.0	-99.20	317.05	1.31	-97.89
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC=C1OCC(F)(F)F	REAL300025573001	0	30	-1.0	-47.70	287.27	1.28	-46.42
COC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC(OC)=C1	REAL300025573002	0	43	-1.0	-42.94	359.40	0.59	-42.35
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025573003	0	36	-1.0	-36.27	321.95	3.86	-32.41
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573004	0	44	-1.0	-41.12	353.48	1.51	-39.61
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300025573005	0	36	-1.0	-45.60	322.39	-0.21	-45.81
CC(=CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)F	REAL300025573006	0	35	-1.0	-39.06	314.46	2.67	-36.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300025573007	0	35	-1.0	-36.87	334.12	4.54	-32.33
CNS(=O)(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573008	0	29	-1.0	-41.64	291.19	-3.82	-45.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300025573009	0	32	-1.0	-37.52	298.21	3.10	-34.42
CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573010	0	41	-1.0	-42.45	356.37	-0.47	-42.92
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025573011	0	32	-1.0	-41.88	301.80	-3.95	-45.83
CC1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573012	0	24	-1.0	-34.94	254.37	1.37	-33.57
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573013	0	42	-1.0	-46.16	360.14	5.72	-40.44
COC1=CC=C(OC)C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573014	0	35	-1.0	-40.76	312.07	0.50	-40.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300025573015	0	36	-1.0	-37.50	324.86	1.93	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300025573016	0	37	-1.0	-40.68	335.54	3.04	-37.64
CC(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC(F)=C1	REAL300025573017	0	35	-1.0	-38.93	309.25	2.93	-36.00
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300025573018	0	34	-1.0	-39.75	313.19	3.29	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC(F)F	REAL300025573019	0	28	-1.0	-38.25	274.92	2.40	-35.85
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)OC2=CC=CC=C21	REAL300025573020	0	32	-1.0	-50.15	280.93	3.08	-47.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C(I)=CN=C12	REAL300025573021	0	27	-1.0	-45.94	274.95	3.12	-42.82
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573022	0	37	-1.0	-44.09	349.02	3.86	-40.23
O=C(CCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573023	0	30	-1.0	-35.79	288.44	3.16	-32.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300025573024	0	36	-1.0	-44.54	339.39	-0.21	-44.75
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573025	0	31	-1.0	-38.44	288.99	1.28	-37.16
CCC(OC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573026	0	34	-1.0	-39.32	302.41	3.38	-35.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300025573027	0	34	-1.0	-42.21	303.24	2.26	-39.95
COCCOC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573028	0	35	-1.0	-43.22	320.65	2.28	-40.94
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025573029	0	40	-1.0	-39.32	335.51	3.34	-35.98
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CN(C)N=C2)O1	REAL300025573030	0	33	-1.0	-45.02	302.95	-1.98	-47.00
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025573031	0	39	-1.0	-37.41	328.33	4.12	-33.29
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300025573032	0	45	-1.0	-42.84	379.06	0.93	-41.91
COCCCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573033	0	38	-1.0	-37.65	327.56	1.16	-36.49
CC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)NC(=O)NC1=O	REAL300025573034	0	36	-1.0	-41.09	317.11	-1.90	-42.99
CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573035	0	37	-1.0	-39.11	327.64	-0.08	-39.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300025573036	0	35	-1.0	-37.16	326.76	4.47	-32.69
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573037	0	36	-1.0	-38.93	341.05	5.40	-33.53
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025573038	0	33	-1.0	-35.58	326.61	2.97	-32.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C(Cl)=C1	REAL300025573039	0	24	-1.0	-34.59	263.26	2.59	-32.00
O=C(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)NC1CCCCC1	REAL300025573040	0	44	-1.0	-49.90	368.85	0.94	-48.96
CCSC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573041	0	31	-1.0	-38.21	295.02	3.42	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL300025573042	0	29	-1.0	-42.57	281.28	1.99	-40.58
CC(C)(C)OC(=O)N1CC(OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573043	0	42	-1.0	-42.23	354.66	0.75	-41.48
CN1C=CN=C1CN1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573044	0	42	-1.0	-42.07	336.47	0.68	-41.39
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573044	1	43	0.0	-62.56	338.87	2.89	-59.67
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300025573045	0	31	-1.0	-42.48	297.70	3.84	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C(Br)C=CC=C12	REAL300025573046	0	30	-1.0	-38.10	286.43	0.85	-37.25
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573047	0	36	-1.0	-37.60	337.49	3.39	-34.21
COC(=O)COC1=C(C)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C	REAL300025573048	0	40	-1.0	-40.21	350.98	3.54	-36.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300025573049	0	34	-1.0	-40.34	309.03	2.25	-38.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300025573050	0	36	-1.0	-35.70	323.66	3.97	-31.73
CCOC1=CC=CC2=C1OCC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025573051	0	37	-1.0	-41.56	318.14	2.32	-39.24
COC1=CC=CC2=C1OCC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025573052	0	34	-1.0	-41.56	296.28	1.40	-40.16
COC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025573053	0	41	-1.0	-40.24	335.50	1.85	-38.39
CC1=CC=C2NC=C(CCC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025573054	0	37	-1.0	-39.68	320.43	3.26	-36.42
O=C(CC1=CC=CC(I)=C1)NCC1=NC(=O)O[N-]1	REAL300025573055	0	27	-1.0	-36.73	273.53	2.82	-33.91
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573056	0	40	-1.0	-40.93	363.05	4.02	-36.91
O=C(NCC1=NC(=O)O[N-]1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300025573057	0	41	-1.0	-36.96	321.04	3.71	-33.25
COC1=CC=C(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025573058	0	36	-1.0	-41.51	322.96	1.76	-39.75
CC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025573059	0	33	-1.0	-35.82	306.65	3.72	-32.10
CS(=O)(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025573060	0	32	-1.0	-51.83	305.79	-3.95	-55.78
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025573061	0	44	-1.0	-42.27	382.14	2.03	-40.24
CC(C)CN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025573062	0	46	-1.0	-41.40	362.15	3.03	-38.37
CCOCCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573063	0	35	-1.0	-42.90	319.22	-4.84	-47.74
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=C(Br)C=C1)N1CCCC1	REAL300025573064	0	39	-1.0	-35.38	345.04	2.60	-32.78
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573065	0	36	-1.0	-40.60	338.87	-1.52	-42.12
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=NO1	REAL300025573066	0	32	-1.0	-38.18	296.19	0.97	-37.21
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300025573067	0	53	-1.0	-39.85	403.43	3.79	-36.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(I)=C1	REAL300025573068	0	24	-1.0	-35.01	254.41	2.19	-32.82
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573069	0	33	-1.0	-36.07	309.53	3.66	-32.41
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300025573070	0	33	-1.0	-36.82	311.62	2.68	-34.14
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573071	0	34	-1.0	-37.12	317.94	4.39	-32.73
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300025573072	0	38	-1.0	-43.49	349.03	4.35	-39.14
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C=C1F	REAL300025573073	0	24	-1.0	-36.97	258.69	1.63	-35.34
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573074	0	35	-1.0	-37.04	306.99	3.00	-34.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F	REAL300025573075	0	34	-1.0	-40.26	319.65	1.26	-39.00
CC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573076	0	27	-1.0	-37.42	258.80	2.35	-35.07
CC1=C(Br)C(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1	REAL300025573077	0	27	-1.0	-57.33	262.63	0.12	-57.21
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025573078	0	30	-1.0	-43.12	304.01	-0.52	-43.64
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1Cl	REAL300025573079	0	31	-1.0	-40.00	294.65	1.57	-38.43
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1F	REAL300025573080	0	31	-1.0	-41.09	286.74	1.10	-39.99
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025573081	0	29	-1.0	-37.23	309.54	2.57	-34.66
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025573082	0	35	-1.0	-40.74	321.09	3.71	-37.03
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300025573083	0	27	-1.0	-34.05	266.57	2.12	-31.93
O=C(CCCC1=CSC2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025573084	0	36	-1.0	-39.19	325.00	4.66	-34.53
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573085	0	34	-1.0	-35.35	317.73	2.87	-32.48
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=N2)=NO1	REAL300025573086	0	32	-1.0	-42.55	298.56	1.11	-41.44
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025573087	0	40	-1.0	-38.91	338.60	3.54	-35.37
O=C(CCCC1=C(Cl)SC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025573088	0	30	-1.0	-36.70	311.04	3.42	-33.28
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025573089	0	42	-1.0	-45.25	361.98	3.36	-41.89
CC1=NN(CC(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573090	0	30	-1.0	-39.59	283.65	0.76	-38.83
CC1=CC(I)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025573091	0	30	-1.0	-36.28	281.83	3.36	-32.92
CN1C(=O)N(C)C2=NC(NC(=O)CCC(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025573092	0	43	-1.0	-51.89	377.25	2.33	-49.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025573093	0	28	-1.0	-34.90	267.10	0.85	-34.05
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025573094	0	28	-1.0	-36.30	277.20	1.50	-34.80
CC1=CC=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573095	0	27	-1.0	-36.32	264.97	2.83	-33.49
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573096	0	35	-1.0	-42.45	323.43	-4.20	-46.65
COC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025573097	0	35	-1.0	-41.70	326.75	0.29	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300025573098	0	24	-1.0	-34.74	257.21	2.13	-32.61
COC1=CC=C2OCC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025573099	0	34	-1.0	-38.30	296.46	0.85	-37.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NN1	REAL300025573100	0	31	-1.0	-39.56	287.08	1.23	-38.33
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCCCC1=O	REAL300025573101	0	43	-1.0	-43.89	337.18	3.91	-39.98
CC1=CC=C(N2N=C(Br)C=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573102	0	34	-1.0	-36.36	321.29	3.19	-33.17
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NCC1=NC(=O)O[N-]1)S2	REAL300025573103	0	40	-1.0	-40.19	361.98	5.09	-35.10
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573104	0	35	-1.0	-37.41	302.03	2.90	-34.51
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025573105	0	34	-1.0	-42.08	310.26	0.59	-41.49
CN1C=C(CCC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025573106	0	37	-1.0	-39.90	321.50	4.31	-35.59
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025573107	0	45	-1.0	-42.64	370.67	1.42	-41.22
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025573108	0	46	-1.0	-39.88	373.00	1.99	-37.89
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025573109	0	44	-1.0	-43.43	367.04	1.66	-41.77
COC1=CC2=C(C=C1OC)CN(C(=O)CCC(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025573110	0	49	-1.0	-43.25	401.90	2.39	-40.86
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL300025573111	0	30	-1.0	-42.08	280.54	-0.21	-42.29
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025573112	0	35	-1.0	-42.78	315.40	-2.40	-45.18
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573113	0	43	-1.0	-35.45	342.32	0.17	-35.28
COCCCS(=O)(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573114	0	35	-1.0	-44.95	318.87	-5.01	-49.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300025573115	0	26	-1.0	-33.96	270.61	2.33	-31.63
CN(C)C1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025573116	0	41	-1.0	-39.07	341.93	3.10	-35.97
CC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025573117	0	36	-1.0	-37.88	311.90	3.36	-34.52
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025573118	0	34	-1.0	-40.25	316.68	2.42	-37.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300025573119	0	27	-1.0	-33.89	276.54	2.53	-31.36
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025573120	0	37	-1.0	-38.61	319.95	1.98	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300025573121	0	33	-1.0	-37.18	307.22	3.21	-33.97
CCC(CC1=CC=CC=C1Br)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573122	0	36	-1.0	-36.50	309.96	4.49	-32.01
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573123	0	46	-1.0	-36.03	365.19	1.20	-34.83
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300025573124	0	38	-1.0	-39.35	326.43	2.54	-36.81
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573125	0	38	-1.0	-41.18	355.17	-0.97	-42.15
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573126	0	32	-1.0	-40.98	308.05	-2.95	-43.93
COC1=CC=C(Br)C(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573127	0	31	-1.0	-38.56	292.92	1.49	-37.07
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573128	0	38	-1.0	-44.89	340.65	2.02	-42.87
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573129	0	37	-1.0	-47.40	313.51	-2.88	-50.28
CC1=NC(NCC(=O)NCC2=NC(=O)O[N-]2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300025573130	0	43	-1.0	-38.72	385.05	4.13	-34.59
CC1=CC2=C(N3CCCC3C(=O)NCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025573131	0	40	-1.0	-42.99	347.35	2.99	-40.00
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025573132	0	39	-1.0	-47.39	354.55	1.50	-45.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300025573133	0	34	-1.0	-40.08	326.65	2.07	-38.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300025573134	0	43	-1.0	-37.45	357.53	6.12	-31.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300025573135	0	31	-1.0	-40.09	292.03	1.74	-38.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300025573136	0	27	-1.0	-36.84	276.09	2.67	-34.17
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573137	0	40	-1.0	-35.65	323.34	-0.71	-36.36
CC1=CC=CC(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025573138	0	36	-1.0	-37.74	311.91	3.35	-34.39
CC1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)NC(=O)NC1=O	REAL300025573139	0	36	-1.0	-39.65	315.55	-2.22	-41.87
CC1(C)C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025573140	0	35	-1.0	-37.43	304.38	0.55	-36.88
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025573141	0	45	-1.0	-42.74	355.63	1.25	-41.49
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300025573142	0	28	-1.0	-41.57	276.44	0.58	-40.99
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O	REAL300025573143	0	37	-1.0	-50.76	337.42	4.47	-46.29
COC1=CC=CC=C1CC(C)=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573144	0	38	-1.0	-38.32	320.42	3.30	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025573145	0	34	-2.0	-83.59	338.19	-0.81	-84.40
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573146	0	39	-1.0	-44.23	352.56	-5.13	-49.36
O=C(CSC1=NC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025573147	0	31	-1.0	-39.93	293.72	1.14	-38.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1F	REAL300025573148	0	24	-1.0	-37.38	253.45	2.23	-35.15
O=C(NCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300025573149	0	31	-1.0	-37.13	299.56	3.73	-33.40
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300025573150	0	33	-1.0	-44.61	310.09	1.29	-43.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300025573151	0	35	-1.0	-39.78	342.81	6.16	-33.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025573152	0	37	-1.0	-40.03	349.76	5.80	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C(F)(F)F	REAL300025573153	0	27	-1.0	-35.84	257.67	2.16	-33.68
CC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573154	0	31	-1.0	-38.94	289.73	0.47	-38.47
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025573155	0	31	-1.0	-43.72	289.88	0.46	-43.26
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300025573156	0	32	-1.0	-39.80	285.41	0.32	-39.48
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(SC2=CC=CC=C2)=N1	REAL300025573157	0	37	-1.0	-39.87	336.01	4.21	-35.66
O=C(CCC1=NC(C2CCCC2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025573158	0	38	-1.0	-37.61	324.07	0.41	-37.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC(Br)=C2)=CC=N1	REAL300025573159	0	34	-1.0	-40.04	330.33	2.88	-37.16
O=C(NC1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025573160	0	36	-1.0	-39.49	338.33	-0.81	-40.30
O=C(NC1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025573160	1	35	-2.0	-92.74	334.77	0.19	-92.55
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300025573161	0	30	-1.0	-38.48	286.16	2.13	-36.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1CCOCC1	REAL300025573162	0	42	-1.0	-37.03	343.95	2.22	-34.81
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NCC1=NC(=O)O[N-]1	REAL300025573163	0	35	-1.0	-44.44	320.63	2.62	-41.82
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573164	0	40	-2.0	-87.79	362.05	-0.08	-87.87
CC(C)CC1=NN=C(NC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573164	1	41	-1.0	-46.91	365.35	1.05	-45.86
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300025573165	0	31	-1.0	-43.70	291.05	1.09	-42.61
CN1C=NC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573166	0	32	-1.0	-46.45	303.86	-3.48	-49.93
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573167	0	55	-1.0	-37.44	437.90	0.81	-36.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300025573168	0	34	-1.0	-44.95	320.88	3.24	-41.71
O=C(CCCC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025573169	0	33	-1.0	-37.66	309.94	3.93	-33.73
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025573170	0	33	-1.0	-35.65	297.67	3.26	-32.39
O=C(CCSC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573171	0	31	-1.0	-35.40	307.23	3.62	-31.78
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025573172	0	39	-1.0	-40.76	321.25	1.81	-38.95
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025573173	0	33	-1.0	-36.64	308.70	3.62	-33.02
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025573174	0	36	-1.0	-38.06	315.50	3.65	-34.41
CC(C)COC1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573175	0	46	-1.0	-37.28	369.71	4.38	-32.90
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300025573176	0	35	-1.0	-37.71	305.00	3.33	-34.38
O=C(CCSC1=CC=C2OCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573177	0	37	-1.0	-38.95	330.44	2.14	-36.81
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300025573178	0	39	-1.0	-38.21	322.28	4.90	-33.31
CC(CSC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573179	0	34	-1.0	-35.27	309.75	3.64	-31.63
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573180	0	36	-1.0	-40.38	327.14	0.37	-40.01
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025573181	0	44	-1.0	-42.82	370.97	4.15	-38.67
CC(C)(C)OC(=O)N1CCCC(OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573182	0	48	-1.0	-41.83	385.27	2.40	-39.43
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025573183	0	33	-1.0	-37.22	298.07	3.27	-33.95
CC(C)(C)OC1=CC=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025573184	0	42	-1.0	-37.45	345.21	2.72	-34.73
CC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300025573185	0	46	-1.0	-37.20	372.46	5.25	-31.95
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573186	0	43	-1.0	-37.45	351.21	4.60	-32.85
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025573187	0	24	-1.0	-36.34	251.95	1.48	-34.86
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025573188	0	28	-1.0	-33.33	288.78	3.03	-30.30
CC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025573189	0	26	-1.0	-34.92	263.12	0.80	-34.12
CC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025573190	0	34	-1.0	-44.84	315.93	0.96	-43.88
CC1=C(I)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573191	0	27	-1.0	-35.02	260.89	2.70	-32.32
O=C(CCC1=NN=C(C2CCCC2)O1)NCC1=NC(=O)O[N-]1	REAL300025573192	0	38	-1.0	-39.31	324.63	-1.90	-41.21
CC1=CC=C(OCCCC(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025573193	0	37	-1.0	-40.12	334.55	3.35	-36.77
O=C(CCCC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573194	0	33	-1.0	-38.24	304.84	3.75	-34.49
CC(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573195	0	43	-1.0	-38.94	348.52	0.02	-38.92
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300025573196	0	53	-1.0	-40.34	403.08	3.78	-36.56
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573197	0	36	-1.0	-43.55	336.96	-1.60	-45.15
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573198	0	39	-1.0	-37.99	351.61	5.04	-32.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1I	REAL300025573199	0	24	-1.0	-33.37	255.54	2.24	-31.13
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=C1	REAL300025573200	0	28	-1.0	-36.18	272.26	1.43	-34.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Br	REAL300025573201	0	24	-1.0	-34.45	254.11	2.18	-32.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1Cl	REAL300025573202	0	24	-1.0	-36.07	261.43	2.66	-33.41
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573203	0	43	-1.0	-39.49	345.56	0.06	-39.43
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025573204	0	47	-1.0	-40.11	371.16	1.13	-38.98
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCC1=NC(=O)O[N-]1	REAL300025573205	0	36	-1.0	-43.13	320.26	4.55	-38.58
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573206	0	39	-1.0	-40.01	330.78	3.76	-36.25
CC1CCCC(OCCCCCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573207	0	49	-1.0	-37.15	386.43	4.53	-32.62
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573208	0	41	-1.0	-38.94	349.09	-3.65	-42.59
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCOCC1	REAL300025573209	0	38	-1.0	-40.64	316.68	0.33	-40.31
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573210	0	34	-1.0	-47.75	313.31	3.58	-44.17
NC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025573211	0	26	-1.0	-35.26	264.77	0.09	-35.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1I	REAL300025573212	0	23	-1.0	-34.28	252.85	0.70	-33.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025573213	0	34	-1.0	-44.35	337.78	2.79	-41.56
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573214	0	50	-1.0	-40.88	390.62	3.38	-37.50
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NCC1=NC(=O)O[N-]1	REAL300025573215	0	46	-1.0	-41.41	376.49	5.51	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1I	REAL300025573216	0	23	-1.0	-36.90	238.05	0.21	-36.69
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CN=C2)S1	REAL300025573217	0	29	-1.0	-38.02	282.91	0.17	-37.85
O=C(COC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573218	0	28	-1.0	-40.01	275.08	2.26	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300025573219	0	33	-1.0	-44.66	305.30	3.46	-41.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300025573220	0	36	-1.0	-42.63	317.93	4.96	-37.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Br	REAL300025573221	0	24	-1.0	-34.30	258.68	2.29	-32.01
CC(C)CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025573222	0	40	-1.0	-39.07	331.61	3.12	-35.95
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300025573223	0	29	-1.0	-46.19	287.59	-0.01	-46.20
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025573224	0	30	-1.0	-34.42	276.64	2.92	-31.50
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1I	REAL300025573225	0	27	-1.0	-41.31	274.84	-0.36	-41.67
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300025573226	0	33	-1.0	-60.40	306.48	3.29	-57.11
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573227	0	48	-1.0	-40.91	381.59	3.22	-37.69
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025573228	0	30	-1.0	-40.53	294.52	-0.90	-41.43
CS(=O)(=O)C1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573229	0	34	-1.0	-45.97	315.33	-0.85	-46.82
CCCCCCCCCCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573230	0	53	-1.0	-35.53	410.38	6.71	-28.82
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573231	0	44	-1.0	-39.17	364.66	2.23	-36.94
COC(=O)C1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573232	0	36	-1.0	-41.62	313.33	2.94	-38.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CO1	REAL300025573233	0	36	-1.0	-40.09	312.97	2.17	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CC=C(Cl)C=C1	REAL300025573234	0	42	-1.0	-37.10	370.45	5.34	-31.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1	REAL300025573235	0	39	-1.0	-38.47	332.22	4.04	-34.43
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN2C(Br)=CN=C12	REAL300025573236	0	26	-1.0	-42.65	266.64	0.54	-42.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300025573237	0	42	-1.0	-37.85	358.68	4.34	-33.51
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573238	0	37	-1.0	-37.40	321.78	3.89	-33.51
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=N1	REAL300025573239	0	31	-1.0	-40.00	291.18	1.53	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300025573240	0	24	-2.0	-76.59	269.32	0.33	-76.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300025573241	0	31	-1.0	-35.35	293.84	1.98	-33.37
CC(CC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573242	0	33	-1.0	-35.25	303.81	3.63	-31.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC(F)(F)F	REAL300025573243	0	33	-1.0	-37.27	295.05	3.62	-33.65
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573244	0	36	-1.0	-46.25	315.80	-0.06	-46.31
CC1=CC(S(C)(=O)=O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025573245	0	36	-1.0	-46.13	315.30	-0.20	-46.33
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300025573246	0	31	-1.0	-42.63	299.23	2.72	-39.91
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025573247	0	26	-1.0	-37.42	254.15	0.40	-37.02
CCOC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2N=C1	REAL300025573248	0	35	-1.0	-45.57	319.74	1.92	-43.65
NC(=O)C1=C2N=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2N=C1	REAL300025573249	0	30	-1.0	-47.14	278.26	-2.94	-50.08
CC1=C2OC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025573250	0	30	-1.0	-36.40	295.05	2.71	-33.69
COCCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025573251	0	40	-1.0	-42.54	348.88	1.06	-41.48
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025573252	0	34	-1.0	-36.85	316.76	4.24	-32.61
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1	REAL300025573253	0	33	-1.0	-39.46	315.97	2.83	-36.63
O=C(CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025573254	0	48	-1.0	-41.85	408.49	5.37	-36.48
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025573255	0	41	-1.0	-35.69	339.00	2.13	-33.56
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC(Br)=CN2N=C1	REAL300025573256	0	26	-1.0	-41.97	266.74	0.56	-41.41
CS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025573257	0	27	-1.0	-43.44	275.21	-2.46	-45.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Br)=C1	REAL300025573258	0	24	-1.0	-34.89	257.21	2.13	-32.76
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025573259	0	29	-1.0	-34.18	283.10	2.75	-31.43
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025573260	0	36	-1.0	-37.29	342.06	5.07	-32.22
CCOC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573261	0	34	-1.0	-40.07	304.45	2.14	-37.93
CC(=O)C1=C(C)NC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025573262	0	39	-1.0	-39.17	323.25	1.68	-37.49
CC1=CN(CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)N=C1	REAL300025573263	0	33	-1.0	-44.25	306.02	0.82	-43.43
CNS(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025573264	0	29	-1.0	-41.72	283.53	-4.75	-46.47
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025573264	1	28	-2.0	-81.66	280.51	-5.20	-86.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300025573265	0	33	-1.0	-46.99	297.91	2.91	-44.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NNC=N2)C=C1	REAL300025573265	1	33	-1.0	-42.83	298.53	2.51	-40.32
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1	REAL300025573266	0	35	-1.0	-37.36	323.03	2.55	-34.81
CC(SC1=NC2=CC=CC=C2S1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573267	0	33	-1.0	-38.21	316.26	2.78	-35.43
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573268	0	46	-1.0	-35.93	358.40	1.13	-34.80
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025573269	0	27	-1.0	-37.24	258.79	2.34	-34.90
CCN(CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025573270	0	44	-1.0	-35.93	362.50	2.73	-33.20
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025573270	1	45	0.0	-50.54	358.73	4.80	-45.74
CC(C)CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025573271	0	36	-1.0	-38.09	303.68	1.40	-36.69
CC1=NC(Br)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573272	0	26	-1.0	-33.93	253.88	0.43	-33.50
CC1=CC=C(CC2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025573273	0	36	-1.0	-42.62	333.12	3.20	-39.42
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025573274	0	42	-1.0	-38.18	353.28	5.71	-32.47
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025573275	0	30	-1.0	-35.77	282.98	2.89	-32.88
CNC(=O)COC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573276	0	38	-1.0	-48.90	335.77	0.58	-48.32
CC(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025573277	0	40	-1.0	-43.52	338.77	3.73	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300025573278	0	30	-1.0	-36.23	288.44	3.92	-32.31
O=C(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)NC1CCCC1	REAL300025573279	0	41	-1.0	-49.73	351.25	0.34	-49.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300025573280	0	35	-1.0	-38.69	315.77	1.89	-36.80
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573281	0	46	-1.0	-35.49	366.34	0.83	-34.66
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=N1	REAL300025573282	0	37	-1.0	-40.22	319.76	2.73	-37.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1C1=CC=CC=N1	REAL300025573283	0	36	-1.0	-41.68	302.52	4.16	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2OC1	REAL300025573284	0	30	-1.0	-36.07	288.29	2.18	-33.89
CCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025573285	0	47	-1.0	-39.97	391.20	4.37	-35.60
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573286	0	45	-1.0	-40.05	361.34	2.81	-37.24
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300025573287	0	44	-1.0	-40.78	360.57	2.16	-38.62
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025573288	0	44	-1.0	-41.65	350.64	1.21	-40.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=C(F)C=C1F	REAL300025573289	0	24	-1.0	-34.59	258.95	2.26	-32.33
O=C(CC1=CC(Br)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025573290	0	27	-1.0	-37.21	272.50	2.38	-34.83
O=C(CC1=CC(Cl)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573291	0	27	-1.0	-36.25	280.69	2.74	-33.51
O=C(CC1=CC=CC=C1I)NCC1=NC(=O)O[N-]1	REAL300025573292	0	27	-1.0	-37.26	269.03	2.63	-34.63
O=C(CC1=CC(F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573293	0	27	-1.0	-36.51	270.36	2.30	-34.21
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025573294	0	43	-1.0	-44.34	366.02	1.65	-42.69
O=C(CSC1=CC=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025573295	0	28	-1.0	-36.59	285.57	2.80	-33.79
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025573296	0	47	-1.0	-41.38	390.34	3.13	-38.25
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025573297	0	47	-1.0	-41.28	371.63	2.25	-39.03
COC1=CC=C2NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025573298	0	35	-1.0	-45.67	307.87	0.84	-44.83
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573299	0	46	-1.0	-39.46	361.50	0.53	-38.93
CN(C)C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025573300	0	36	-1.0	-43.64	321.30	1.32	-42.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300025573301	0	26	-1.0	-34.96	269.27	0.81	-34.15
CCOC(=O)C1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025573302	0	32	-1.0	-37.27	307.67	1.42	-35.85
COCCOC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573303	0	38	-1.0	-41.22	330.74	1.23	-39.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300025573304	0	27	-1.0	-34.01	272.95	2.46	-31.55
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573305	0	45	-1.0	-36.75	352.59	4.96	-31.79
O=C(CCCNC(=O)C1=CC=CN=C1)NCC1=NC(=O)O[N-]1	REAL300025573306	0	36	-1.0	-42.06	318.71	-0.79	-42.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300025573307	0	29	-1.0	-36.03	288.36	2.74	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1	REAL300025573308	0	24	-1.0	-33.88	259.15	2.17	-31.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1	REAL300025573309	0	36	-1.0	-37.20	330.68	4.57	-32.63
CC1(C)CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025573310	0	40	-1.0	-49.77	321.89	1.57	-48.20
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025573311	0	31	-1.0	-37.16	291.75	1.52	-35.64
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025573312	0	38	-1.0	-35.89	319.84	1.41	-34.48
CC1=CC=CC=C1SC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573313	0	38	-1.0	-36.74	340.10	5.71	-31.03
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300025573314	0	40	-1.0	-39.55	338.45	4.29	-35.26
CC(C)COC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573315	0	41	-1.0	-40.37	347.62	3.34	-37.03
COC(=O)[C@H](CCC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025573316	0	47	-1.0	-43.16	414.30	2.62	-40.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1Cl	REAL300025573317	0	26	-1.0	-34.11	278.85	2.72	-31.39
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCOC2=CC=CC=C2Cl)C(=O)C=C1	REAL300025573318	0	41	-1.0	-46.20	371.23	4.49	-41.71
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573319	0	40	-1.0	-40.64	349.79	3.32	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL300025573320	0	30	-1.0	-37.22	296.83	1.19	-36.03
COC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025573321	0	40	-1.0	-39.76	336.41	2.77	-36.99
CC(C)(C)OC(=O)N1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573322	0	42	-1.0	-41.80	342.94	0.75	-41.05
O=C(CSC1=NN=C(C2=CC=CO2)N1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025573323	0	41	-1.0	-44.67	384.25	5.71	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1	REAL300025573324	0	42	-1.0	-42.20	375.78	2.83	-39.37
O=C(CC1=CC=C(Br)C(F)=C1)NCC1=NC(=O)O[N-]1	REAL300025573325	0	27	-1.0	-37.29	272.76	2.40	-34.89
CC(CSCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573326	0	37	-1.0	-35.94	329.27	4.48	-31.46
CC(C)(C)OC(=O)N1CCOC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573327	0	45	-1.0	-41.52	362.82	1.27	-40.25
O=C(CCCOC1=CC=C2OCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573328	0	37	-1.0	-41.39	323.18	0.77	-40.62
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573329	0	49	-1.0	-38.43	393.37	5.20	-33.23
O=C(CCCOC1=CC=C2CCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573330	0	41	-1.0	-39.43	342.65	4.03	-35.40
COC1=CC=CC(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025573331	0	35	-1.0	-38.77	312.10	0.38	-38.39
CC(C)CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573332	0	42	-1.0	-35.96	348.35	5.22	-30.74
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025573333	0	35	-1.0	-38.72	331.29	3.51	-35.21
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025573334	0	43	-1.0	-38.32	350.55	6.05	-32.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C2N1	REAL300025573335	0	31	-1.0	-42.03	295.12	2.07	-39.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1I	REAL300025573336	0	24	-1.0	-36.23	248.40	2.16	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CCC(F)(F)F)C=C1	REAL300025573337	0	33	-1.0	-37.92	303.64	3.65	-34.27
CC(C)(C)OC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025573338	0	41	-1.0	-41.37	334.08	2.14	-39.23
CCC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC)C=C1	REAL300025573339	0	40	-1.0	-36.91	329.77	2.92	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1	REAL300025573340	0	30	-1.0	-36.00	317.86	3.23	-32.77
C=C(C)CN1C(SCC(=O)NCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CO1	REAL300025573341	0	41	-1.0	-42.41	373.74	4.31	-38.10
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1Cl	REAL300025573342	0	34	-1.0	-37.58	308.83	3.29	-34.29
O=C(COC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573343	0	38	-1.0	-38.88	317.40	4.11	-34.77
O=C(CCCOC1=CC=C2CCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573344	0	44	-1.0	-39.13	359.85	4.62	-34.51
CC1=CC(S(N)(=O)=O)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025573345	0	35	-1.0	-44.40	308.26	-2.78	-47.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(O)=C1	REAL300025573346	0	25	-1.0	-35.76	252.53	-1.13	-36.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C([O-])=C1	REAL300025573346	1	24	-2.0	-86.35	248.97	-0.38	-86.73
COC1=CC=C(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025573347	0	35	-1.0	-37.27	312.02	0.38	-36.89
O=C(CC1=CNC2=CC(Br)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025573348	0	31	-1.0	-39.70	298.93	2.39	-37.31
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(CN2C=C(Br)C=N2)=C1	REAL300025573349	0	30	-1.0	-43.94	305.83	0.76	-43.18
O=C(CC1=CSC2=CC=C(Cl)C=C12)NCC1=NC(=O)O[N-]1	REAL300025573350	0	30	-1.0	-38.05	298.87	3.60	-34.45
O=C(CSC1=NC=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025573351	0	33	-1.0	-39.87	305.67	2.83	-37.04
CC1=CC=C(C2=NC(SCC(=O)NCC3=NC(=O)O[N-]3)=NN2)C=C1	REAL300025573352	0	37	-1.0	-41.13	343.73	2.91	-38.22
CC1=CC=C(C2=NNC(SCC(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025573352	1	37	-1.0	-38.65	344.49	3.03	-35.62
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573353	0	37	-2.0	-87.78	343.13	-0.85	-88.63
CC(C)C1=NN=C(NC(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573353	1	38	-1.0	-47.03	346.43	0.28	-46.75
O=C(CSC1=NC2=CC=CC=C2N=C1N1CCCC1)NCC1=NC(=O)O[N-]1	REAL300025573354	0	44	-1.0	-40.58	376.31	2.48	-38.10
CC(C(=O)NCC1=NC(=O)O[N-]1)S(=O)(=O)C1CCOCC1	REAL300025573355	0	37	-1.0	-48.96	315.89	-2.54	-51.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1Br	REAL300025573356	0	24	-1.0	-33.88	250.06	1.79	-32.09
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=NC=C2)=N1	REAL300025573357	0	29	-1.0	-41.74	283.69	0.10	-41.64
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573358	0	36	-1.0	-50.33	322.79	1.28	-49.05
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300025573359	0	33	-1.0	-39.82	322.09	3.63	-36.19
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1OC1CCCC1	REAL300025573360	0	42	-1.0	-37.97	345.30	3.17	-34.80
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573361	0	33	-1.0	-38.12	297.94	2.55	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300025573362	0	41	-1.0	-40.67	340.26	4.40	-36.27
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300025573363	0	40	-1.0	-39.34	349.36	0.60	-38.74
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025573364	0	40	-1.0	-40.17	340.47	4.10	-36.07
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300025573365	0	34	-1.0	-34.38	317.82	0.83	-33.55
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300025573366	0	33	-1.0	-46.33	318.13	2.60	-43.73
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025573367	0	39	-1.0	-42.25	336.35	-0.82	-43.07
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300025573368	0	35	-1.0	-49.90	322.04	3.00	-46.90
COC1=CC=CC=C1C(N)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025573369	0	36	-1.0	-37.74	309.49	0.66	-37.08
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025573370	0	34	-1.0	-42.21	304.80	3.20	-39.01
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573371	0	36	-1.0	-41.52	327.96	4.37	-37.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1OC(F)F	REAL300025573372	0	28	-1.0	-37.28	279.48	2.51	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300025573373	0	27	-1.0	-38.09	272.45	0.16	-37.93
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL300025573374	0	34	-1.0	-39.72	303.02	-0.28	-40.00
CN(C)C1=NC2=CC=CC=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573375	0	37	-1.0	-37.63	312.63	3.10	-34.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)S1	REAL300025573376	0	28	-1.0	-37.37	284.46	2.92	-34.45
O=C(CCC1=CC(F)=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573377	0	30	-1.0	-36.07	290.78	3.08	-32.99
CCCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025573378	0	43	-1.0	-39.56	350.16	3.70	-35.86
CC(C)COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025573379	0	36	-1.0	-34.33	327.75	0.75	-33.58
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300025573380	0	36	-1.0	-38.71	337.99	1.31	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025573381	0	31	-2.0	-74.41	311.20	-1.56	-75.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Br)S2)S1	REAL300025573382	0	28	-1.0	-35.77	306.12	3.65	-32.12
CC1=CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)=CC=C1F	REAL300025573383	0	38	-1.0	-38.99	326.67	2.68	-36.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300025573384	0	32	-1.0	-40.46	299.57	0.21	-40.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL300025573385	0	29	-1.0	-42.34	279.14	1.96	-40.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300025573386	0	39	-1.0	-38.38	324.93	1.22	-37.16
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300025573387	0	34	-1.0	-37.08	299.52	3.43	-33.65
CC(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300025573388	0	35	-1.0	-36.86	319.55	3.37	-33.49
O=C(CCCC1=CC2=CC=CC=C2C=C1)NCC1=NC(=O)O[N-]1	REAL300025573389	0	39	-1.0	-39.31	334.76	5.57	-33.74
COCC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025573390	0	36	-1.0	-43.67	327.68	-3.24	-46.91
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573391	0	36	-1.0	-41.45	322.78	4.11	-37.34
CC(C)(C)OCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573392	0	40	-1.0	-36.97	325.16	3.10	-33.87
CC1=C(C)N2C(=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025573393	0	32	-1.0	-48.74	290.00	1.63	-47.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1F	REAL300025573394	0	23	-1.0	-35.00	242.41	-0.13	-35.13
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300025573395	0	34	-1.0	-42.00	319.52	3.17	-38.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300025573396	0	33	-1.0	-36.45	317.68	2.70	-33.75
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573397	0	39	-1.0	-41.58	349.46	5.15	-36.43
O=C(NCC1=NC(=O)O[N-]1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025573398	0	42	-1.0	-40.46	368.60	3.07	-37.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300025573399	0	30	-1.0	-41.04	286.37	2.55	-38.49
CC(C)(C)SC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025573400	0	36	-1.0	-35.69	312.29	3.38	-32.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300025573401	0	27	-1.0	-34.40	272.35	2.56	-31.84
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300025573402	0	30	-1.0	-37.94	307.10	0.18	-37.76
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573403	0	39	-1.0	-40.67	336.21	2.11	-38.56
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=CS1	REAL300025573404	0	20	-1.0	-36.78	226.21	-1.29	-38.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300025573405	0	35	-1.0	-36.97	326.55	4.41	-32.56
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300025573406	0	30	-1.0	-44.07	293.68	0.65	-43.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300025573407	0	28	-1.0	-38.52	264.95	2.10	-36.42
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573408	0	40	-1.0	-49.51	348.86	0.67	-48.84
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573409	0	36	-1.0	-43.82	324.11	-1.60	-45.42
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573410	0	41	-1.0	-54.63	360.51	2.70	-51.93
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300025573411	0	35	-1.0	-43.87	320.85	2.50	-41.37
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300025573412	0	29	-1.0	-35.22	283.58	2.49	-32.73
COC1=CC(C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025573413	0	44	-1.0	-40.87	379.12	1.51	-39.36
CC1=CSC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N12	REAL300025573414	0	29	-1.0	-49.74	271.20	0.94	-48.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300025573415	0	31	-1.0	-43.90	316.53	3.44	-40.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Br)=C1	REAL300025573416	0	24	-1.0	-33.79	263.71	2.28	-31.51
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)O2)=C1	REAL300025573417	0	40	-1.0	-40.85	345.00	4.70	-36.15
CC1=CC(F)=C2NC(=O)C=C(C(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025573418	0	33	-1.0	-38.07	294.74	0.88	-37.19
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300025573419	0	34	-1.0	-39.71	334.69	3.62	-36.09
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025573420	0	34	-1.0	-42.23	309.19	2.71	-39.52
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(C)C=C1	REAL300025573421	0	37	-1.0	-43.83	324.18	3.33	-40.50
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300025573422	0	34	-1.0	-41.15	317.98	3.14	-38.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300025573423	0	40	-1.0	-44.13	344.04	3.95	-40.18
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573424	0	41	-1.0	-39.29	351.15	5.04	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL300025573425	0	40	-1.0	-36.16	332.13	1.56	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300025573426	0	35	-1.0	-36.48	338.29	5.65	-30.83
CC(C)N1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300025573427	0	44	-1.0	-43.23	373.80	4.08	-39.15
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573428	0	44	-1.0	-39.88	367.56	1.98	-37.90
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573429	0	39	-1.0	-36.42	330.76	3.77	-32.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1C(F)(F)F	REAL300025573430	0	27	-1.0	-35.62	272.57	2.71	-32.91
COC1=CC=CC(C2C(C(=O)NCC3=NC(=O)O[N-]3)CC(=O)N2C2CC2)=C1	REAL300025573431	0	46	-1.0	-42.59	373.97	2.95	-39.64
CC1=CN2C(=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025573432	0	29	-1.0	-49.16	276.64	1.15	-48.01
CC(CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025573433	0	36	-1.0	-37.04	318.02	4.23	-32.81
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573434	0	36	-1.0	-45.37	327.91	5.42	-39.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC(F)F)=CC=N1	REAL300025573435	0	30	-1.0	-45.66	282.94	-0.11	-45.77
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300025573436	0	33	-1.0	-38.31	304.97	-0.41	-38.72
COC1=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025573437	0	35	-1.0	-43.01	305.80	1.11	-41.90
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CCCCC2)=N1	REAL300025573438	0	39	-1.0	-35.57	331.13	2.78	-32.79
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1Br	REAL300025573439	0	38	-1.0	-41.52	349.09	5.86	-35.66
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025573440	0	38	-1.0	-38.78	341.20	5.40	-33.38
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300025573441	0	38	-1.0	-40.01	344.48	5.51	-34.50
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025573442	0	33	-1.0	-41.55	307.07	2.58	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL300025573443	0	29	-1.0	-39.50	274.59	0.73	-38.77
CC1=CC(Br)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573444	0	30	-1.0	-36.37	283.80	2.83	-33.54
COC1=CC=C(N2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C)C=C1	REAL300025573445	0	38	-1.0	-43.32	332.25	1.95	-41.37
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300025573446	0	34	-1.0	-38.40	315.29	4.22	-34.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300025573447	0	35	-1.0	-40.06	337.22	3.54	-36.52
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025573448	0	40	-1.0	-41.55	351.86	3.22	-38.33
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573449	0	51	-1.0	-46.98	406.52	3.10	-43.88
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573450	0	41	-1.0	-40.22	344.33	5.53	-34.69
CCC1=C2NC3=C(CCOC3(CC)CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025573451	0	51	-1.0	-38.76	398.39	5.58	-33.18
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300025573452	0	38	-1.0	-38.30	346.09	2.98	-35.32
CC1=NC(COC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025573453	0	36	-1.0	-43.96	323.95	-0.16	-44.12
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025573454	0	36	-1.0	-45.31	311.38	0.01	-45.30
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)N1CCCS1(=O)=O	REAL300025573455	0	38	-1.0	-46.75	317.78	-0.84	-47.59
CN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=C(F)C=C1	REAL300025573456	0	38	-1.0	-37.51	329.28	2.48	-35.03
COC1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573457	0	25	-1.0	-35.06	264.99	0.09	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C21	REAL300025573458	0	29	-1.0	-37.57	280.81	1.35	-36.22
CN(C)S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025573459	0	32	-1.0	-41.18	303.24	-2.97	-44.15
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025573460	0	27	-1.0	-41.09	264.21	1.84	-39.25
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025573460	1	26	-2.0	-111.75	262.88	0.03	-111.72
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(I)=C1	REAL300025573461	0	23	-1.0	-34.56	243.93	0.35	-34.21
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025573462	0	45	-1.0	-42.29	356.55	1.34	-40.95
COC1=CC=C(COCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573463	0	41	-1.0	-40.40	352.18	1.90	-38.50
CCOC(=O)C1=CN=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573464	0	35	-1.0	-38.79	309.23	1.51	-37.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CN=C21	REAL300025573465	0	29	-1.0	-43.87	281.47	2.47	-41.40
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025573466	0	42	-1.0	-38.66	358.31	5.50	-33.16
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573467	0	33	-1.0	-41.88	306.46	3.57	-38.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12	REAL300025573468	0	31	-1.0	-39.82	285.26	2.42	-37.40
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)NCC1=NC(=O)O[N-]1	REAL300025573469	0	33	-1.0	-45.73	305.76	2.45	-43.28
CC(C)NC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573470	0	37	-1.0	-39.10	319.65	1.00	-38.10
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025573471	0	47	-1.0	-42.16	377.67	2.59	-39.57
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025573472	0	34	-1.0	-46.57	317.91	3.33	-43.24
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300025573473	0	30	-1.0	-48.15	299.00	1.34	-46.81
COC1=CC2=C(CC(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL300025573474	0	37	-1.0	-42.38	317.76	3.15	-39.23
CC(C)(C)OC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025573475	0	40	-1.0	-37.54	329.86	3.76	-33.78
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573476	0	40	-1.0	-41.40	344.67	3.40	-38.00
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(I)=CC=C2N1	REAL300025573477	0	28	-1.0	-34.61	282.62	2.09	-32.52
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573478	0	47	-1.0	-43.86	372.17	2.46	-41.40
CC1=CC(F)=CC=C1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025573479	0	33	-1.0	-41.18	300.45	1.54	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300025573480	0	39	-1.0	-41.56	324.13	0.66	-40.90
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573481	0	47	-1.0	-36.24	374.40	1.89	-34.35
COC1=CC=CC(C2=NC(C)=C(C(=O)NCC3=NC(=O)O[N-]3)N2)=C1	REAL300025573482	0	38	-1.0	-38.21	330.38	1.40	-36.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300025573483	0	31	-1.0	-42.15	302.26	3.94	-38.21
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025573484	0	37	-1.0	-36.49	339.94	3.11	-33.38
CN(C(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025573485	0	41	-1.0	-40.07	342.70	4.09	-35.98
O=C(CC1=CNC2=CC=CC(Br)=C12)NCC1=NC(=O)O[N-]1	REAL300025573486	0	31	-1.0	-42.23	293.62	2.22	-40.01
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573487	0	44	-1.0	-36.37	368.07	0.53	-35.84
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300025573488	0	33	-1.0	-42.97	310.52	1.71	-41.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2CC2)C=C1	REAL300025573489	0	35	-1.0	-38.86	309.14	1.06	-37.80
NC(=O)CCC(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573490	0	45	-1.0	-42.21	387.90	-1.94	-44.15
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573491	0	47	-1.0	-36.51	388.24	3.40	-33.11
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025573492	0	27	-1.0	-34.86	260.56	2.23	-32.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300025573493	0	34	-1.0	-40.96	314.09	4.80	-36.16
CCS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573494	0	39	-1.0	-43.97	349.31	0.96	-43.01
CC(C)CC1=CC=C(C(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573495	0	42	-1.0	-36.77	342.88	4.96	-31.81
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1	REAL300025573496	0	35	-1.0	-37.47	298.85	0.05	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1N1C=NC=N1	REAL300025573497	0	30	-1.0	-39.55	295.57	4.71	-34.84
N#CC1=CC=CC=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025573498	0	36	-1.0	-41.78	346.96	4.82	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300025573499	0	35	-1.0	-51.73	310.93	2.69	-49.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1	REAL300025573500	0	40	-1.0	-41.10	346.73	5.38	-35.72
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025573501	0	40	-1.0	-38.80	350.13	4.31	-34.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL300025573502	0	30	-1.0	-39.04	285.39	-0.84	-39.88
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL300025573503	0	36	-1.0	-37.66	300.27	-1.95	-39.61
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025573504	0	27	-1.0	-37.84	255.58	2.24	-35.60
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573505	0	40	-1.0	-36.63	334.54	-0.47	-37.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1	REAL300025573506	0	37	-1.0	-41.02	343.05	4.13	-36.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(N2CCCC2)=C1	REAL300025574507	0	36	-1.0	-35.63	320.23	2.17	-33.46
O=C(CC(N1C=CC=N1)C(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025574508	0	30	-1.0	-38.75	278.41	0.78	-37.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300025574509	0	30	-1.0	-39.02	301.57	-0.83	-39.85
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL300025574510	0	26	-1.0	-37.47	265.44	0.93	-36.54
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL300025574511	0	38	-1.0	-39.46	330.56	2.83	-36.63
COC(=O)C1=CC=C2CCCC(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025574512	0	43	-1.0	-41.23	354.80	4.61	-36.62
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC=CC1	REAL300025574513	0	40	-1.0	-36.32	326.37	3.30	-33.02
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025574514	0	44	-1.0	-39.37	343.12	3.86	-35.51
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025574515	0	46	-1.0	-38.94	355.97	4.06	-34.88
CC(C)(C)OC(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574516	0	45	-1.0	-41.48	349.95	3.82	-37.66
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCOCC1	REAL300025574517	0	42	-1.0	-40.72	330.96	2.24	-38.48
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(NCC(F)(F)F)=N1	REAL300025574518	0	34	-1.0	-36.05	313.73	0.81	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300025574519	0	30	-1.0	-36.83	286.20	2.11	-34.72
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025574520	0	33	-1.0	-37.60	296.39	1.03	-36.57
CC(C)(C)OC(=O)N1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025574521	0	45	-1.0	-39.60	379.97	3.40	-36.20
C[C@@H](C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025574522	0	40	-1.0	-38.36	325.29	1.10	-37.26
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025574523	0	42	-1.0	-37.85	364.85	2.51	-35.34
CC(C)(C)OC(=O)N1CCC(N2N=NC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574524	0	50	-1.0	-38.12	402.62	1.53	-36.59
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025574525	0	35	-1.0	-37.74	312.65	2.47	-35.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300025574526	0	28	-1.0	-34.49	277.49	2.52	-31.97
CC(C)N(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025574527	0	43	-1.0	-41.46	344.59	2.37	-39.09
CC(C)(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025574528	0	33	-1.0	-37.52	300.58	1.38	-36.14
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1Br	REAL300025574529	0	31	-1.0	-35.01	293.60	2.14	-32.87
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2)=NO1	REAL300025574530	0	35	-1.0	-41.29	308.50	1.94	-39.35
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574531	0	34	-1.0	-39.87	321.28	1.03	-38.84
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574532	0	43	-1.0	-43.78	361.88	3.94	-39.84
COCCCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025574533	0	36	-1.0	-38.56	320.60	-1.11	-39.67
CC(C)(C)N1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025574534	0	33	-1.0	-41.64	305.62	1.46	-40.18
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300025574535	0	41	-1.0	-37.46	306.83	2.00	-35.46
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1	REAL300025574536	0	34	-1.0	-35.86	315.36	0.73	-35.13
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574537	0	52	-1.0	-38.34	400.15	3.03	-35.31
CN1C(=O)C(C)(C)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025574538	0	38	-1.0	-37.70	325.60	2.56	-35.14
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574539	0	43	-1.0	-40.11	361.80	3.95	-36.16
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574540	0	48	-1.0	-44.98	378.42	3.34	-41.64
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025574541	0	31	-1.0	-35.34	288.01	1.43	-33.91
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574542	0	32	-1.0	-37.61	289.83	1.22	-36.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Br)=C2)=NO1	REAL300025574543	0	30	-1.0	-36.34	301.09	2.65	-33.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NO1	REAL300025574544	0	30	-1.0	-36.42	301.08	2.66	-33.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300025574545	0	27	-1.0	-36.25	276.92	2.96	-33.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300025574546	0	33	-1.0	-39.06	300.46	2.69	-36.37
O=C(CC1=CC=C(C2CCCCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574547	0	43	-1.0	-36.86	347.61	5.54	-31.32
CC1=C(Br)C=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574548	0	26	-1.0	-34.45	250.52	0.48	-33.97
CC(C)[C@@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025574549	0	41	-1.0	-48.30	340.52	5.27	-43.03
COC1=CC=C(OC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574550	0	38	-1.0	-38.69	310.50	1.79	-36.90
CC(C)CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025574551	0	39	-1.0	-35.24	336.61	4.73	-30.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1	REAL300025574552	0	34	-1.0	-40.24	319.70	1.28	-38.96
CC(C)N1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025574553	0	37	-1.0	-38.71	315.69	1.30	-37.41
O=C(CC1=C(Cl)C=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025574554	0	27	-1.0	-37.58	277.88	2.65	-34.93
CC(C)(OC1=CC=C(Br)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574555	0	34	-1.0	-35.89	302.29	3.13	-32.76
CCC(C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025574556	0	43	-1.0	-38.26	344.33	2.22	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300025574557	0	34	-1.0	-40.47	307.86	1.91	-38.56
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574558	0	44	-1.0	-43.91	355.12	1.82	-42.09
O=C(CC1=CC=C(Br)C=C1F)NCC1=NC(=O)O[N-]1	REAL300025574559	0	27	-1.0	-37.41	272.50	2.39	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300025574560	0	30	-1.0	-51.44	278.00	1.04	-50.40
CC(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025574561	0	39	-1.0	-38.92	330.82	3.66	-35.26
CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574562	0	49	-1.0	-46.00	374.79	2.31	-43.69
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574563	0	43	0.0	-63.64	337.74	1.84	-61.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574563	1	43	0.0	-62.84	345.33	2.28	-60.56
CC(C)[N@@H+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025574564	0	49	0.0	-55.01	364.02	2.71	-52.30
CC(C)[N@H+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025574564	1	49	0.0	-60.42	372.49	2.94	-57.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300025574565	0	27	-1.0	-49.02	262.28	-0.75	-49.77
CN1C=CC(NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025574566	0	36	-1.0	-40.91	314.15	2.07	-38.84
O=C(CC1CCN(CC(F)(F)F)CC1)NCC1=NC(=O)O[N-]1	REAL300025574567	0	38	-1.0	-36.38	317.48	0.79	-35.59
O=C(CCC1CCC(C2OCCO2)O1)NCC1=NC(=O)O[N-]1	REAL300025574568	0	40	-1.0	-40.43	332.27	0.15	-40.28
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=NN1	REAL300025574569	0	24	-1.0	-38.58	254.56	-1.13	-39.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300025574570	0	33	-1.0	-39.80	292.92	2.23	-37.57
NC1=NN=NN1C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574571	0	31	-1.0	-43.99	282.21	0.95	-43.04
CC1=CC=NC(NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025574572	0	37	-1.0	-42.72	324.68	4.19	-38.53
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300025574573	0	27	-1.0	-34.29	276.66	2.44	-31.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300025574574	0	30	-1.0	-54.61	288.11	3.20	-51.41
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300025574575	0	38	-1.0	-42.37	329.93	2.70	-39.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300025574576	0	30	-1.0	-38.10	279.29	3.81	-34.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300025574577	0	38	-1.0	-40.65	332.47	1.80	-38.85
NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=N1	REAL300025574578	0	25	-1.0	-36.09	252.94	-1.45	-37.54
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025574579	0	38	-1.0	-39.69	333.57	5.12	-34.57
COC1=CC(OC)=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025574580	0	38	-1.0	-57.82	326.91	0.89	-56.93
COC1=CC(OC)=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025574580	1	37	-2.0	-94.01	323.67	0.45	-93.56
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574581	0	35	-1.0	-42.97	301.20	-2.30	-45.27
COC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025574582	0	35	-1.0	-42.80	314.26	1.22	-41.58
CC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025574583	0	30	-1.0	-37.96	282.16	2.80	-35.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300025574584	0	39	-1.0	-40.61	327.26	0.56	-40.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300025574585	0	33	-1.0	-45.48	298.75	1.47	-44.01
NC(=O)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574586	0	36	-1.0	-52.24	346.89	-5.25	-57.49
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300025574587	0	36	-1.0	-38.03	287.43	3.83	-34.20
CC(C)(C)OC(=O)N1CCC(C2=NNC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574588	0	48	-1.0	-41.73	391.76	1.17	-40.56
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2)C1	REAL300025574588	1	48	-1.0	-41.77	391.67	1.15	-40.62
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025574589	0	49	-1.0	-47.55	394.87	1.46	-46.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300025574590	0	27	-1.0	-37.16	272.35	2.56	-34.60
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(Br)=CS1	REAL300025574591	0	21	-1.0	-35.06	250.96	1.26	-33.80
CCCCCCCCCCCCC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574592	0	59	-1.0	-35.47	453.38	8.27	-27.20
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025574593	0	34	-1.0	-39.23	300.86	0.86	-38.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300025574594	0	35	-1.0	-38.88	305.89	1.52	-37.36
O=C(NCC1=NC(=O)O[N-]1)C1CC12CCN(C(=O)OCC1=CC=CC=C1)C2	REAL300025574595	0	46	-1.0	-44.49	391.80	4.38	-40.11
CC(C)(C)OC(=O)N1CCCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574596	0	47	-1.0	-41.29	365.22	3.07	-38.22
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574597	0	47	-1.0	-37.04	384.97	-0.40	-37.44
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025574598	0	44	-1.0	-40.05	379.13	2.51	-37.54
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574599	0	43	-1.0	-49.29	370.28	-2.00	-51.29
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574600	0	48	-1.0	-40.14	385.61	4.49	-35.65
CN1C(=O)CO[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025574601	0	38	-1.0	-35.59	316.07	0.74	-34.85
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1(C)C	REAL300025574602	0	42	-1.0	-36.35	332.16	3.55	-32.80
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025574603	0	45	-1.0	-39.50	355.89	3.88	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CNC1=O	REAL300025574604	0	24	-1.0	-49.00	244.59	-1.12	-50.12
COC1=CC=C(CN2CCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574605	0	40	-1.0	-40.10	339.42	-0.18	-40.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2CCOCC2)=NC=N1	REAL300025574606	0	35	-1.0	-38.08	300.52	-0.88	-38.96
O=C(NCC1=NC(=O)O[N-]1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL300025574607	0	32	-1.0	-41.10	285.99	-0.92	-42.02
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025574607	1	31	-2.0	-99.45	282.42	0.08	-99.37
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300025574608	0	35	-1.0	-49.68	322.12	1.78	-47.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300025574609	0	33	-1.0	-40.66	298.67	3.69	-36.97
CC1=C(S(C)(=O)=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025574610	0	30	-1.0	-46.67	286.23	-2.64	-49.31
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300025574611	0	32	-1.0	-38.24	288.97	3.97	-34.27
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300025574612	0	31	-1.0	-39.54	303.09	3.95	-35.59
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025574613	0	36	-1.0	-35.20	319.48	4.24	-30.96
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300025574614	0	38	-1.0	-45.35	329.06	3.46	-41.89
O=C(CCC(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025574615	0	32	-1.0	-42.30	294.63	2.40	-39.90
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)NCC1=NC(=O)O[N-]1	REAL300025574616	0	40	-1.0	-45.73	340.73	1.87	-43.86
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574617	0	45	-1.0	-48.09	361.23	0.28	-47.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL300025574618	0	29	-1.0	-39.76	278.03	1.11	-38.65
CCSC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025574619	0	34	-1.0	-37.50	325.09	4.05	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2S1	REAL300025574620	0	27	-1.0	-36.09	281.48	3.07	-33.02
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574621	0	48	-1.0	-41.45	381.19	4.24	-37.21
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574622	0	41	-1.0	-39.32	341.36	0.25	-39.07
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574623	0	47	-1.0	-44.72	368.49	2.66	-42.06
CC(C)(C)OC(=O)NC1=NN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574624	0	47	-1.0	-42.98	381.89	1.55	-41.43
CC(C)(C)OC(=O)N1CCC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025574625	0	50	-1.0	-39.84	406.81	2.93	-36.91
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574626	0	37	-1.0	-35.93	319.95	3.50	-32.43
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025574627	0	37	-1.0	-36.94	333.01	5.51	-31.43
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300025574628	0	28	-1.0	-36.22	286.07	2.77	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300025574629	0	32	-1.0	-39.31	294.99	2.22	-37.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300025574630	0	28	-1.0	-34.16	283.03	1.42	-32.74
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025574631	0	28	-1.0	-35.32	271.00	1.01	-34.31
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025574632	0	31	-1.0	-34.85	287.07	1.59	-33.26
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(S(C)(=O)=O)O1	REAL300025574633	0	30	-1.0	-44.85	286.07	-2.57	-47.42
CC1=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025574634	0	41	-1.0	-43.94	369.03	3.10	-40.84
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1CCOCC1	REAL300025574635	0	38	-1.0	-45.62	320.69	0.34	-45.28
CN1C=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025574636	0	35	-1.0	-40.78	306.66	-0.19	-40.97
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574637	0	31	-1.0	-37.73	304.06	3.27	-34.46
COC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025574638	0	34	-1.0	-37.97	313.85	2.31	-35.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300025574639	0	33	-1.0	-44.17	298.76	1.46	-42.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300025574640	0	30	-1.0	-36.27	298.79	3.44	-32.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1	REAL300025574641	0	38	-1.0	-35.86	348.71	4.62	-31.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N=C2COCCN21	REAL300025574642	0	29	-1.0	-36.10	271.74	-0.69	-36.79
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300025574643	0	35	-1.0	-37.77	313.15	2.10	-35.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574644	0	30	-2.0	-88.73	289.98	-2.86	-91.59
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574644	1	31	-1.0	-44.71	290.05	-2.71	-47.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL300025574645	0	27	-1.0	-37.19	275.99	1.28	-35.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300025574646	0	35	-1.0	-39.75	301.89	-0.49	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1	REAL300025574647	0	30	-1.0	-43.51	310.95	2.42	-41.09
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574648	0	41	-1.0	-38.93	338.37	-0.14	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1Br)OCO2	REAL300025574649	0	27	-1.0	-36.81	263.39	0.35	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300025574650	0	38	-1.0	-46.14	320.39	1.97	-44.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(SCC2=CC=CC=C2)=N1	REAL300025574651	0	37	-1.0	-36.40	350.43	3.93	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300025574652	0	31	-1.0	-39.17	288.55	2.16	-37.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300025574653	0	26	-1.0	-40.23	267.79	1.06	-39.17
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025574654	0	46	0.0	-56.57	391.21	4.66	-51.91
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025574654	1	46	0.0	-61.33	388.60	4.66	-56.67
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025574655	0	49	0.0	-65.44	397.31	5.51	-59.93
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025574655	1	49	0.0	-64.23	397.80	5.75	-58.48
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574656	0	52	0.0	-60.17	404.48	6.52	-53.65
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574656	1	52	0.0	-59.86	405.02	6.49	-53.37
COC1=CC(CCC(=O)NCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025574657	0	39	-1.0	-40.45	336.63	-0.46	-40.91
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCC1=NC(=O)O[N-]1	REAL300025574658	0	34	-1.0	-39.08	303.15	0.98	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300025574659	0	40	-1.0	-40.83	337.04	6.08	-34.75
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025574660	0	49	0.0	-63.40	394.78	5.59	-57.81
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025574660	1	49	0.0	-60.41	397.78	5.61	-54.80
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574661	0	49	0.0	-59.40	387.89	6.01	-53.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574661	1	49	0.0	-59.23	387.78	5.98	-53.25
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025574662	0	53	0.0	-60.29	405.89	6.93	-53.36
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025574662	1	53	0.0	-60.66	404.69	6.98	-53.68
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025574663	0	47	0.0	-58.55	394.07	6.45	-52.10
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025574663	1	47	0.0	-56.20	395.26	6.67	-49.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300025574664	0	34	-1.0	-37.14	314.19	1.44	-35.70
COC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1OC(C)C	REAL300025574665	0	38	-1.0	-40.42	316.06	2.95	-37.47
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=C(Br)N2N=C1	REAL300025574666	0	27	-1.0	-41.60	269.79	1.27	-40.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300025574667	0	34	-1.0	-39.87	314.62	1.38	-38.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300025574668	0	35	-1.0	-39.03	305.84	1.51	-37.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300025574669	0	35	-1.0	-41.26	307.19	1.56	-39.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300025574670	0	30	-1.0	-39.40	288.85	2.56	-36.84
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025574671	0	45	-1.0	-39.87	360.68	2.19	-37.68
CC(C)(C)OC(=O)N1CCCC(CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574672	0	50	-1.0	-40.85	390.98	3.37	-37.48
COC1=CC=CC(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574673	0	51	-1.0	-42.53	412.06	2.38	-40.15
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574674	0	49	-1.0	-35.32	383.90	1.34	-33.98
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300025574675	0	48	-1.0	-46.67	381.22	2.26	-44.41
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025574676	0	40	-1.0	-41.50	331.60	-0.22	-41.72
CC(C)(C)OC(=O)NC1CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574677	0	42	-1.0	-39.02	347.68	0.47	-38.55
COC1=CC=CC(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574678	0	48	-1.0	-40.33	398.49	1.40	-38.93
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574679	0	48	-1.0	-40.92	384.35	1.31	-39.61
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC1	REAL300025574680	0	44	-1.0	-35.63	372.14	1.56	-34.07
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574681	0	42	-1.0	-40.92	341.22	1.99	-38.93
CC1=CC=C(C2=NN(C)C=C2C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025574682	0	34	-1.0	-43.83	306.71	2.41	-41.42
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025574683	0	41	-1.0	-40.85	353.28	5.76	-35.09
CC1=CC=CC(N2C=NC3=CC(C(=O)NCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025574684	0	40	-1.0	-40.91	349.11	6.35	-34.56
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025574685	0	32	-1.0	-34.72	292.95	0.64	-34.08
CCCCCCCCC=CCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574686	0	63	-1.0	-35.74	499.30	10.29	-25.45
O=C(CC1=CC=C(Br)C(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025574687	0	27	-1.0	-36.75	286.01	2.89	-33.86
CC(C)(C)OC(=O)NC(CC1=NC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574688	0	45	-1.0	-40.28	365.83	-1.08	-41.36
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300025574689	0	35	-1.0	-37.37	312.91	2.36	-35.01
CC1=NN(C2CCOCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574690	0	38	-1.0	-36.12	317.54	0.42	-35.70
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574691	0	47	-1.0	-36.51	384.06	3.01	-33.50
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574692	0	43	-1.0	-36.14	347.10	-2.05	-38.19
CO[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025574693	0	46	-1.0	-44.91	395.21	2.33	-42.58
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025574694	0	33	-1.0	-41.88	307.66	2.82	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300025574695	0	40	-1.0	-37.61	329.38	4.95	-32.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300025574696	0	37	-1.0	-36.52	324.55	3.41	-33.11
CO[C@@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025574697	0	46	-1.0	-45.77	395.21	2.32	-43.45
CCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025574698	0	36	-1.0	-35.43	319.48	4.24	-31.19
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574699	0	41	-1.0	-40.76	343.55	0.79	-39.97
O=C(CC1=CC=C(Br)C(O)=C1)NCC1=NC(=O)O[N-]1	REAL300025574700	0	28	-1.0	-38.60	277.19	-0.45	-39.05
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300025574701	0	33	-1.0	-39.43	309.84	1.43	-38.00
COCCOCCOCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574702	0	41	-1.0	-41.72	351.87	-0.86	-42.58
COC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1OC	REAL300025574703	0	38	-1.0	-39.79	325.57	2.56	-37.23
O=C(NCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C=CC2=CC=CC=C2)CC1	REAL300025574704	0	46	-1.0	-43.62	390.76	2.12	-41.50
O=C(CC1(N2C=NN=N2)CCOCC1)NCC1=NC(=O)O[N-]1	REAL300025574705	0	36	-1.0	-46.87	296.42	-0.12	-46.99
C#CCN(CC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025574706	0	39	-1.0	-43.26	335.19	2.22	-41.04
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CN=C1SCC1=CC=CC=C1	REAL300025574707	0	36	-1.0	-42.06	332.97	2.62	-39.44
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025574708	0	41	-1.0	-38.46	339.81	1.07	-37.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL300025574709	0	33	-1.0	-39.55	301.47	2.54	-37.01
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574710	0	34	-1.0	-37.90	297.16	-0.16	-38.06
O=C(NCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300025574711	0	30	-1.0	-45.79	279.04	-2.34	-48.13
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025574712	0	44	-1.0	-37.82	358.45	1.60	-36.22
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CCO)N=C1C1CCOCC1	REAL300025574713	0	42	-1.0	-38.61	351.23	-2.29	-40.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300025574714	0	33	-1.0	-42.64	299.67	4.13	-38.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300025574715	0	29	-1.0	-40.15	281.96	-2.46	-42.61
O=C(NCC1=NC(=O)O[N-]1)C1=CNN=C1I	REAL300025574716	0	21	-1.0	-37.17	227.95	-1.61	-38.78
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CN=C2C(Br)=C1	REAL300025574717	0	27	-1.0	-38.67	268.76	2.18	-36.49
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)=NO2	REAL300025574718	0	43	-1.0	-39.25	365.23	-0.24	-39.49
CN1N=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574719	0	24	-1.0	-34.39	249.63	-0.30	-34.69
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574720	0	47	-1.0	-40.40	372.55	1.10	-39.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300025574721	0	34	-1.0	-38.79	324.45	1.90	-36.89
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL300025574722	0	34	-1.0	-41.83	303.67	1.90	-39.93
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NCC1=NC(=O)O[N-]1	REAL300025574723	0	38	-1.0	-44.03	335.98	0.12	-43.91
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574724	0	34	-1.0	-38.35	312.71	4.02	-34.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300025574725	0	37	-1.0	-39.96	329.61	2.59	-37.37
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574726	0	36	-1.0	-34.57	324.51	0.67	-33.90
CC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)=CS1	REAL300025574727	0	30	-1.0	-38.25	301.12	1.58	-36.67
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NCC1=NC(=O)O[N-]1	REAL300025574728	0	40	-1.0	-41.94	350.72	3.30	-38.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300025574729	0	38	-1.0	-39.99	324.14	3.82	-36.17
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025574730	0	36	-1.0	-42.42	312.07	-2.33	-44.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300025574731	0	36	-1.0	-39.38	311.60	3.06	-36.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300025574732	0	36	-1.0	-38.63	316.40	3.99	-34.64
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=N1	REAL300025574733	0	35	-1.0	-44.95	311.96	2.61	-42.34
COC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574734	0	46	-1.0	-42.79	382.45	2.32	-40.47
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1	REAL300025574735	0	45	-1.0	-38.47	372.48	3.92	-34.55
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574736	0	45	-1.0	-38.41	370.80	5.32	-33.09
COC1=CC=CC=C1NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574737	0	40	-1.0	-38.43	339.49	2.77	-35.66
COC1=CC=C(NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C(OC)=C1	REAL300025574738	0	44	-1.0	-38.90	368.87	2.06	-36.84
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574739	0	48	-1.0	-37.22	380.20	6.28	-30.94
COC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025574740	0	34	-1.0	-40.54	309.33	1.34	-39.20
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=C(Br)C=CC=C3C21	REAL300025574741	0	32	-1.0	-38.16	293.36	4.07	-34.09
CC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025574742	0	30	-1.0	-43.55	287.58	0.76	-42.79
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300025574743	0	34	-1.0	-46.85	293.77	0.37	-46.48
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574744	0	45	-1.0	-45.92	382.36	4.28	-41.64
CC1=NOC(COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025574745	0	35	-1.0	-38.31	321.58	-2.66	-40.97
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1CCCOC1	REAL300025574746	0	42	-1.0	-40.34	330.94	2.25	-38.09
O=C(NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1)OCC1=CC=CC=C1	REAL300025574747	0	48	-1.0	-41.44	398.05	3.08	-38.36
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCOC1	REAL300025574748	0	45	-1.0	-43.38	352.78	3.06	-40.32
CC1=CC(C)=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025574749	0	33	-1.0	-36.98	300.09	3.05	-33.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1COCC1=CC=CC=C1	REAL300025574750	0	41	-1.0	-37.51	350.76	4.99	-32.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1OC(F)(F)F	REAL300025574751	0	28	-1.0	-38.92	271.77	2.16	-36.76
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574752	0	42	-1.0	-40.74	346.24	-0.57	-41.31
CC(C)(C)OC(=O)N1CCC2=C(CC(=O)NCC3=NC(=O)O[N-]3)C=CC=C2C1	REAL300025574753	0	51	-1.0	-43.37	407.11	4.75	-38.62
CC(C)(C)OC(=O)NC1CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025574754	0	48	-1.0	-40.24	392.01	2.82	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025574755	0	40	-1.0	-39.29	354.74	-0.80	-40.09
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCSCC1	REAL300025574756	0	43	-1.0	-36.50	345.18	3.75	-32.75
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2CCOC2)=N1	REAL300025574757	0	34	-1.0	-36.07	303.16	-0.39	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=C(Br)C=NC=C2C=C1	REAL300025574758	0	28	-1.0	-44.55	280.09	0.41	-44.14
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300025574759	0	37	-1.0	-36.67	333.11	2.54	-34.13
O=C(CC1=CC(Cl)=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025574760	0	27	-1.0	-36.02	279.21	2.74	-33.28
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1	REAL300025574761	0	33	-1.0	-38.74	314.05	2.85	-35.89
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Br)S1	REAL300025574762	0	30	-1.0	-38.07	303.95	3.08	-34.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(Cl)C=C1	REAL300025574763	0	39	-1.0	-35.50	335.31	1.90	-33.60
CC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025574764	0	27	-1.0	-36.11	276.83	2.86	-33.25
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574765	0	40	-1.0	-44.29	339.25	0.98	-43.31
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C2=CC=CC=C2O1	REAL300025574766	0	27	-1.0	-38.64	270.86	2.07	-36.57
CN1C=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025574767	0	24	-1.0	-41.47	251.88	-0.07	-41.54
CC1=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NN2C(C(F)(F)F)=C1	REAL300025574768	0	32	-1.0	-45.14	308.19	1.34	-43.80
O=C(COC1=CC=C(Br)C=N1)NCC1=NC(=O)O[N-]1	REAL300025574769	0	27	-1.0	-37.29	273.49	-0.36	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1CCCN2C=C(C(F)(F)F)N=C12	REAL300025574770	0	34	-1.0	-48.70	305.29	2.42	-46.28
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025574771	0	33	-1.0	-38.17	305.11	4.36	-33.81
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1N1CCOCC1	REAL300025574772	0	40	-1.0	-38.27	328.82	1.26	-37.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL300025574773	0	24	-1.0	-35.21	258.58	2.12	-33.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC(C(F)(F)F)=N2)=C1	REAL300025574774	0	37	-1.0	-40.67	342.95	4.59	-36.08
COC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=C1	REAL300025574775	0	31	-1.0	-40.08	289.67	1.76	-38.32
COC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025574776	0	37	-1.0	-41.14	323.05	2.13	-39.01
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574777	0	38	-1.0	-36.59	326.29	4.62	-31.97
CC1(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C2NC1=O	REAL300025574778	0	33	-1.0	-39.00	292.81	-1.07	-40.07
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025574779	0	37	-1.0	-44.66	341.06	2.19	-42.47
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NC2=C(Cl)C=CC=C12	REAL300025574780	0	32	-1.0	-40.72	290.92	2.61	-38.11
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CN(C)N=C1	REAL300025574781	0	37	-1.0	-40.02	320.06	2.84	-37.18
CC(C)(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL300025574782	0	35	-1.0	-34.85	312.44	2.32	-32.53
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1F	REAL300025574783	0	23	-1.0	-35.67	242.01	-0.17	-35.84
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574784	0	44	-1.0	-38.16	358.55	1.84	-36.32
CC1CN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025574785	0	43	-1.0	-37.50	347.29	1.36	-36.14
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025574786	0	26	-1.0	-34.06	275.12	1.92	-32.14
CC1(C)CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)C1	REAL300025574787	0	46	-1.0	-37.08	344.13	5.24	-31.84
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1	REAL300025574788	0	36	-1.0	-46.66	326.17	2.37	-44.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL300025574788	1	36	-1.0	-45.53	319.36	2.06	-43.47
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574789	0	32	-1.0	-37.05	294.72	2.70	-34.35
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574790	0	50	-1.0	-38.85	412.98	3.92	-34.93
CN1C(=O)COC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025574791	0	33	-1.0	-38.21	288.26	0.03	-38.18
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300025574792	0	41	-1.0	-36.75	335.60	5.07	-31.68
CC1=CN(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025574793	0	36	-1.0	-42.90	318.80	1.89	-41.01
CC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025574794	0	47	-1.0	-40.84	394.52	7.02	-33.82
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300025574795	0	35	-1.0	-36.68	321.29	2.57	-34.11
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574796	0	45	-1.0	-39.27	357.41	0.60	-38.67
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300025574797	0	40	-1.0	-42.19	339.32	5.31	-36.88
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCCC1	REAL300025574798	0	37	-1.0	-37.47	320.52	5.01	-32.46
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCC1	REAL300025574799	0	37	-1.0	-40.22	321.89	4.93	-35.29
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025574800	0	41	-1.0	-38.68	328.74	3.68	-35.00
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300025574801	0	37	-1.0	-40.34	317.32	4.82	-35.52
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1(Br)Br	REAL300025574802	0	24	-1.0	-34.64	250.68	1.42	-33.22
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1OC	REAL300025574803	0	45	-1.0	-42.25	359.31	3.53	-38.72
COC1=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=CC=C1C	REAL300025574804	0	44	-1.0	-38.82	350.16	4.37	-34.45
CC(C)C1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025574805	0	46	-1.0	-38.59	359.46	6.31	-32.28
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025574806	0	40	-1.0	-38.67	322.00	4.98	-33.69
COC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025574807	0	41	-1.0	-42.60	330.09	3.61	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300025574808	0	37	-1.0	-34.36	307.16	4.28	-30.08
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300025574809	0	37	-1.0	-37.50	313.27	4.45	-33.05
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300025574810	0	37	-1.0	-34.38	320.27	5.05	-29.33
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574811	0	42	-1.0	-37.26	322.84	4.24	-33.02
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCS(=O)(=O)CC1	REAL300025574812	0	45	-1.0	-40.33	364.04	0.06	-40.27
O=C(NCC1=NC(=O)O[N-]1)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300025574813	0	34	-1.0	-42.42	303.75	1.98	-40.44
CCC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025574814	0	36	-1.0	-40.36	312.39	3.57	-36.79
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(C)N1C1=CN=CC=N1	REAL300025574815	0	36	-1.0	-42.00	314.07	2.01	-39.99
O=C([N-]CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025574816	0	30	-2.0	-80.21	304.25	-2.97	-83.18
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCN1C(=O)OC(C)(C)C	REAL300025574817	0	51	-1.0	-40.53	389.35	2.95	-37.58
CC(C)(C)OC(=O)NC1CCCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025574818	0	51	-1.0	-47.55	395.05	1.83	-45.72
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574819	0	41	-1.0	-35.96	352.25	0.34	-35.62
CC1=CN(C2CCOCC2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574820	0	38	-1.0	-41.63	317.63	0.35	-41.28
COC1=CC=C(Cl)C(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025574821	0	34	-1.0	-39.61	321.73	2.02	-37.59
CCCCCCCC(=O)NC(CCSC)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574822	0	52	-1.0	-37.27	430.16	3.84	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300025574823	0	36	-1.0	-40.66	315.11	3.22	-37.44
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025574824	0	30	-1.0	-35.88	275.48	2.56	-33.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300025574825	0	35	-1.0	-37.61	325.53	3.35	-34.26
COC1CN(C(=O)OCC2=CC=CC=C2)C(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574826	0	49	-1.0	-42.49	411.24	3.27	-39.22
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574827	0	43	-1.0	-38.32	341.96	1.94	-36.38
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574828	0	32	-1.0	-41.09	296.51	-3.27	-44.36
CC1=CC=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)N2C(=O)OC(C)(C)C	REAL300025574829	0	48	-1.0	-44.06	389.03	4.63	-39.43
COC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025574830	0	28	-1.0	-38.95	276.31	0.67	-38.28
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574831	0	37	-1.0	-42.21	314.74	2.97	-39.24
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL300025574832	0	30	-1.0	-44.71	286.40	2.14	-42.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025574833	0	30	-1.0	-37.51	299.23	2.52	-34.99
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025574834	0	28	-1.0	-34.86	280.47	2.61	-32.25
CC(C)(C)OC(=O)CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025574835	0	38	-1.0	-49.39	331.98	0.41	-48.98
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025574836	0	42	-1.0	-42.25	348.10	4.14	-38.11
O=C(C=CC1=CSC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025574837	0	28	-1.0	-36.57	286.29	2.38	-34.19
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574838	0	41	-1.0	-37.29	355.43	1.80	-35.49
O=C(CC1=CSC(CCC(F)(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL300025574839	0	32	-1.0	-38.85	313.47	1.32	-37.53
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC(Br)=CC=C3C21	REAL300025574840	0	32	-1.0	-37.74	294.01	4.10	-33.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300025574841	0	31	-1.0	-38.37	290.43	3.47	-34.90
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C=CC(C(F)(F)F)=N1	REAL300025574842	0	30	-1.0	-39.18	285.84	0.62	-38.56
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025574843	0	46	-1.0	-42.45	380.44	0.61	-41.84
CCN1C(=O)CO[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025574844	0	42	-1.0	-36.02	347.36	2.95	-33.07
O=C(CCC1=CC=C(F)C2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL300025574845	0	40	-1.0	-36.05	328.74	4.81	-31.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300025574846	0	44	-1.0	-40.59	371.65	0.37	-40.22
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574847	0	42	-1.0	-36.95	359.38	-1.32	-38.27
O=C(CC1=COC2=CC(Cl)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025574848	0	30	-1.0	-38.69	290.30	2.61	-36.08
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025574849	0	36	-1.0	-37.22	315.18	4.69	-32.53
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCOC1	REAL300025574850	0	48	-1.0	-41.09	376.85	0.23	-40.86
CCOC(=O)C1(CC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025574851	0	40	-1.0	-41.16	322.58	1.54	-39.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC(O)=CC(Br)=C1	REAL300025574852	0	25	-1.0	-36.68	253.44	-1.18	-37.86
CCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025574853	0	33	-1.0	-35.45	302.55	3.58	-31.87
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL300025574854	0	32	-1.0	-37.78	289.45	3.99	-33.79
O=C(CCCC1=CC=C2OCCCOC2=C1)NCC1=NC(=O)O[N-]1	REAL300025574855	0	42	-1.0	-40.79	351.47	3.26	-37.53
COC1=CC=C(C2=CN=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025574856	0	40	-1.0	-37.88	341.66	2.58	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL300025574857	0	38	-1.0	-37.89	313.63	2.43	-35.46
CN1CC(=O)NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025574858	0	33	-1.0	-38.08	290.61	-3.06	-41.14
CC1=CC(Br)=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574859	0	27	-1.0	-37.51	267.67	2.39	-35.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O	REAL300025574860	0	34	-1.0	-53.19	314.37	2.33	-50.86
CN(C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1)C1=CC=CC=C1	REAL300025574861	0	35	-1.0	-39.95	325.54	3.38	-36.57
O=C(NCC1=NC(=O)O[N-]1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300025574862	0	35	-1.0	-40.57	309.98	2.03	-38.54
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574863	0	44	-1.0	-38.39	353.13	1.89	-36.50
CS(C)(=O)=NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574864	0	34	-1.0	-54.11	301.64	-0.64	-54.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2C=C1	REAL300025574865	0	30	-1.0	-36.63	288.45	3.92	-32.71
COC1=CC(I)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574866	0	28	-1.0	-37.62	276.21	2.71	-34.91
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC(F)=CC=C2F)=N1	REAL300025574867	0	34	-1.0	-41.60	315.41	2.49	-39.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=C1	REAL300025574868	0	34	-1.0	-38.56	315.05	2.89	-35.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1C(F)(F)F	REAL300025574869	0	31	-1.0	-34.98	297.16	1.89	-33.09
COC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574870	0	35	-1.0	-40.77	323.16	3.27	-37.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300025574871	0	37	-1.0	-38.13	337.39	3.67	-34.46
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC1(F)F	REAL300025574872	0	38	-1.0	-43.13	329.58	-0.24	-43.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300025574873	0	28	-1.0	-33.98	283.27	1.48	-32.50
CN1C(=O)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC(F)=C1	REAL300025574874	0	38	-1.0	-38.83	329.29	2.48	-36.35
CC(C)C1=CC=C(OC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=N2)C=C1	REAL300025574875	0	43	-1.0	-37.19	368.25	3.34	-33.85
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL300025574876	0	37	-1.0	-48.29	317.63	1.39	-46.90
CC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025574877	0	34	-1.0	-46.92	315.31	2.28	-44.64
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025574878	0	30	-1.0	-36.91	291.04	1.23	-35.68
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574879	0	32	-1.0	-37.93	293.13	2.53	-35.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN2C=CN=C12	REAL300025574880	0	27	-1.0	-45.24	268.02	2.78	-42.46
O=C(CC1=C(C2=CC=CC=C2)N=C(C2=CC=CS2)S1)NCC1=NC(=O)O[N-]1	REAL300025574881	0	40	-1.0	-40.74	373.40	4.96	-35.78
CCC1=CC2=C(SC=C2CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574882	0	33	-1.0	-37.97	316.73	3.74	-34.23
O=C(NCC1=NC(=O)O[N-]1)C1C2CC3=CC=C(Br)C=C3C21	REAL300025574883	0	32	-1.0	-37.06	301.32	4.22	-32.84
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025574884	0	30	-1.0	-39.05	305.45	3.06	-35.99
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025574885	0	38	-1.0	-46.57	319.49	-0.04	-46.61
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574886	0	42	-1.0	-40.35	360.47	0.22	-40.13
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574887	0	47	-1.0	-37.62	368.12	1.62	-36.00
O=C(CCC1=CC=C(N2CCCS2(=O)=O)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574888	0	42	-1.0	-50.13	363.76	1.04	-49.09
CC1=CC2=C(SC=C2CC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574889	0	30	-1.0	-38.19	295.23	2.97	-35.22
CC(C)(C)OC(=O)NC1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025574890	0	41	-1.0	-42.70	337.93	-0.25	-42.95
C[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025574891	0	40	-1.0	-41.51	331.61	-0.22	-41.73
CC(C)(C)OC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)CC1CC1	REAL300025574892	0	47	-1.0	-39.37	384.08	3.62	-35.75
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025574893	0	48	-1.0	-45.65	379.24	2.81	-42.84
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1	REAL300025574894	0	40	-1.0	-35.79	336.86	5.14	-30.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1O	REAL300025574895	0	25	-1.0	-36.03	257.73	0.69	-35.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025574895	1	24	-2.0	-90.19	254.17	1.70	-88.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL300025574896	0	26	-1.0	-36.96	271.21	1.10	-35.86
CCN1N=CN=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574897	0	36	-1.0	-38.23	310.99	3.54	-34.69
O=C(CN1C=CC(Br)=CC1=O)NCC1=NC(=O)O[N-]1	REAL300025574898	0	27	-1.0	-44.23	271.25	0.96	-43.27
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CN=C1)C1CCCC1	REAL300025574899	0	42	-1.0	-37.74	336.37	3.54	-34.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL300025574900	0	26	-1.0	-38.55	271.59	1.09	-37.46
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574901	0	37	-1.0	-48.83	330.55	0.04	-48.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=C(Br)C=CC=C12	REAL300025574902	0	30	-1.0	-36.17	281.04	3.83	-32.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300025574903	0	34	-1.0	-41.66	307.76	1.42	-40.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025574904	0	24	-2.0	-88.42	253.90	1.29	-87.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1O	REAL300025574904	1	25	-1.0	-35.58	257.47	0.28	-35.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1Br	REAL300025574905	0	23	-1.0	-33.68	254.25	0.41	-33.27
CC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C2=NC(C(C)C)=CC(C(F)(F)F)=C12	REAL300025574906	0	44	-1.0	-42.02	381.30	3.68	-38.34
CC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025574907	0	30	-1.0	-37.12	285.63	0.81	-36.31
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574908	0	35	-1.0	-37.15	309.09	3.04	-34.11
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(I)=C1Cl	REAL300025574909	0	24	-1.0	-38.46	272.32	2.40	-36.06
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300025574910	0	30	-1.0	-40.07	310.68	3.17	-36.90
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574911	0	39	-1.0	-38.34	333.04	1.38	-36.96
CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574912	0	34	-1.0	-54.94	302.00	-0.55	-55.49
O=C(CC1=CC=C(Br)C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025574913	0	27	-1.0	-36.48	281.28	2.78	-33.70
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL300025574914	0	30	-1.0	-39.97	280.58	1.00	-38.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1C1CC1	REAL300025574915	0	31	-1.0	-37.01	286.26	3.73	-33.28
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300025574916	0	27	-1.0	-39.86	277.12	2.96	-36.90
CC1=CC2=C(S1)C(CC(=O)NCC1=NC(=O)O[N-]1)=CS2	REAL300025574917	0	30	-1.0	-38.67	294.53	2.95	-35.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2	REAL300025574918	0	35	-1.0	-40.24	308.18	2.69	-37.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL300025574919	0	30	-1.0	-47.49	276.72	0.45	-47.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL300025574920	0	37	-1.0	-39.30	315.26	-1.62	-40.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300025574921	0	32	-1.0	-59.58	295.76	-4.62	-64.20
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300025574922	0	40	-1.0	-37.67	330.08	3.26	-34.41
CC1=CC=NC(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025574923	0	37	-1.0	-39.29	329.00	2.10	-37.19
CC(SC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025574924	0	34	-1.0	-50.34	323.63	-2.90	-53.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=NN1C1=NC=CC=C1Cl	REAL300025574925	0	30	-1.0	-39.82	305.59	3.52	-36.30
CC(C)(C)OC(=O)CCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025574926	0	46	-1.0	-37.62	372.25	2.43	-35.19
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCC1=NC(=O)O[N-]1	REAL300025574927	0	42	-1.0	-45.38	339.30	2.05	-43.33
COCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574928	0	44	-1.0	-36.68	357.01	-1.63	-38.31
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025574929	0	47	-1.0	-37.31	371.79	1.93	-35.38
C=CCOC(=O)[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025574930	0	47	-1.0	-42.17	400.28	1.56	-40.61
O=C(NCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](F)CN1C(=O)OCC1=CC=CC=C1	REAL300025574931	0	42	-1.0	-44.15	368.39	3.44	-40.71
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574932	0	40	-1.0	-40.08	340.49	-0.42	-40.50
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574933	0	41	-1.0	-41.16	344.91	-1.29	-42.45
CC(C)C[C@@H](C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025574934	0	49	-1.0	-37.81	382.20	3.53	-34.28
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574935	0	52	-1.0	-38.22	383.87	1.78	-36.44
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574936	0	50	-1.0	-38.62	379.50	2.83	-35.79
CCN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC(C)=C1	REAL300025574937	0	44	-1.0	-40.27	367.48	4.31	-35.96
CN(CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025574938	0	51	-1.0	-48.11	405.39	5.10	-43.01
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574939	0	39	-1.0	-35.87	331.56	4.14	-31.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O	REAL300025574940	0	33	-1.0	-51.85	304.45	1.59	-50.26
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025574941	0	44	-1.0	-43.11	367.07	3.57	-39.54
CC(C)(C)OC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025574942	0	40	-1.0	-39.41	339.58	1.01	-38.40
CC(C)C1=CC=C(C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025574943	0	42	-1.0	-42.15	369.59	4.60	-37.55
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)NCC1=NC(=O)O[N-]1	REAL300025574944	0	36	-1.0	-47.52	335.94	-2.02	-49.54
C[C@H]1CC[C@H](C2=NC(CC(=O)NCC3=NC(=O)O[N-]3)=CS2)CC1	REAL300025574945	0	42	-1.0	-38.83	356.03	3.24	-35.59
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025574946	0	36	-1.0	-35.88	315.11	3.64	-32.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2F)=N1	REAL300025574947	0	36	-1.0	-39.65	330.08	3.24	-36.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300025574948	0	36	-1.0	-35.75	331.68	3.28	-32.47
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025574949	0	36	-1.0	-40.52	343.99	3.66	-36.86
COC(=O)C1=NN(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025574950	0	36	-1.0	-46.69	325.60	1.20	-45.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300025574951	0	35	-1.0	-43.99	304.43	0.57	-43.42
CCC(SC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025574952	0	37	-1.0	-45.38	341.73	-1.95	-47.33
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300025574953	0	34	-1.0	-42.83	278.14	-1.69	-44.52
O=C(CC1=CC=CC=C1N1CCCC1=O)NCC1=NC(=O)O[N-]1	REAL300025574954	0	38	-1.0	-41.03	326.42	3.27	-37.76
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025574955	0	41	-1.0	-42.73	351.70	2.93	-39.80
C=CCCCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025574956	0	40	-1.0	-36.11	339.24	5.02	-31.09
COC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025574957	0	38	-1.0	-52.25	333.12	1.27	-50.98
CC1=CC=C(OC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025574958	0	37	-1.0	-39.26	329.16	2.07	-37.19
CC1=CC(C(F)(F)F)=NC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025574959	0	28	-1.0	-42.14	276.29	0.21	-41.93
CCCCCC=CCC=CCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025574960	0	61	-1.0	-35.91	490.38	10.14	-25.77
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300025574961	0	34	-1.0	-38.06	312.40	4.07	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(NC2CCCCC2)=N1	REAL300025574962	0	38	-1.0	-38.96	329.38	1.54	-37.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300025574963	0	28	-1.0	-37.77	276.29	1.20	-36.57
CC1(C)[C@@H](C=C(Cl)C2=CC=C(Cl)C=C2)[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574964	0	41	-1.0	-37.12	371.17	6.47	-30.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Br)=C1	REAL300025574965	0	28	-1.0	-37.75	280.67	1.31	-36.44
CS(=O)(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574966	0	36	-1.0	-44.31	306.11	-1.37	-45.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1	REAL300025574967	0	36	-1.0	-40.22	331.65	3.77	-36.45
O=C(CN1N=C(C(F)F)C=C1C1CC1)NCC1=NC(=O)O[N-]1	REAL300025574968	0	34	-1.0	-40.12	312.84	1.93	-38.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300025574969	0	31	-1.0	-40.86	297.66	3.80	-37.06
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC(Br)=C2)CC1	REAL300025574970	0	31	-1.0	-36.60	309.91	3.88	-32.72
COC1=CC(OC)=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025574971	0	45	-1.0	-41.61	359.43	2.93	-38.68
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCOCC1	REAL300025574972	0	42	-1.0	-34.93	319.10	0.20	-34.73
CC(C)(C)OC(=O)NC1=NC=C(CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025574973	0	43	-1.0	-42.40	376.00	1.55	-40.85
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C2	REAL300025574974	0	45	-1.0	-38.52	370.66	1.01	-37.51
CC(C)(C)OC(=O)NC1CC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025574975	0	47	-1.0	-37.90	373.31	0.88	-37.02
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025574976	0	47	-1.0	-39.39	368.13	1.61	-37.78
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(F)F	REAL300025574977	0	41	-1.0	-42.78	349.98	0.02	-42.76
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025574978	0	48	-1.0	-39.71	375.25	2.75	-36.96
O=C(NCC1=NC(=O)O[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL300025574979	0	31	-1.0	-39.37	277.88	-1.77	-41.14
N#CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025574980	0	38	-1.0	-39.47	320.04	4.78	-34.69
O=C(CC1=CSC(C2CCCC2)=N1)NCC1=NC(=O)O[N-]1	REAL300025574981	0	36	-1.0	-39.12	316.23	1.96	-37.16
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300025574982	0	36	-1.0	-37.33	326.40	3.26	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300025574983	0	39	-1.0	-41.78	343.68	2.77	-39.01
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(I)C=C1Cl	REAL300025574984	0	27	-1.0	-33.70	278.28	3.22	-30.48
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025574985	0	27	-1.0	-33.67	268.18	1.95	-31.72
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025574985	1	26	-2.0	-95.87	266.84	0.15	-95.72
CCN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025574986	0	27	-1.0	-37.18	265.43	0.12	-37.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CN1CC1=CC=CC=C1	REAL300025574987	0	38	-1.0	-41.85	326.94	4.98	-36.87
CC1=NN(C2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574988	0	38	-1.0	-37.98	316.82	0.25	-37.73
COC1=CC=C(CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025574989	0	44	-1.0	-40.57	368.89	3.30	-37.27
COC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025574990	0	38	-1.0	-37.07	314.78	2.70	-34.37
O=C(NCC1=NC(=O)O[N-]1)[C@@H](CC1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025574991	0	45	-1.0	-47.25	382.96	7.05	-40.20
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025574992	0	31	-1.0	-38.20	299.32	1.73	-36.47
O=C(NCC1=NC(=O)O[N-]1)C1C2=CC=CC=C2C(=O)OC12CCC2	REAL300025574993	0	38	-1.0	-40.04	319.30	3.82	-36.22
O=C(CC1CCC2(CCOCC2)CO1)NCC1=NC(=O)O[N-]1	REAL300025574994	0	42	-1.0	-38.50	322.86	1.02	-37.48
CC1=CC(C)=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025574995	0	36	-1.0	-37.10	316.13	3.83	-33.27
COC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OC	REAL300025574996	0	41	-1.0	-41.42	347.40	2.51	-38.91
CCOC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025574997	0	47	-1.0	-41.30	391.10	4.36	-36.94
O=C(CCCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025574998	0	33	-1.0	-37.31	309.94	3.94	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300025574999	0	31	-1.0	-42.12	295.32	2.33	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCC2=C1Br	REAL300025575000	0	28	-1.0	-44.06	269.78	0.27	-43.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN(C2CC2)C1=O	REAL300025575001	0	31	-1.0	-48.62	292.60	2.14	-46.48
CC1=C2OC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1Cl	REAL300025575002	0	33	-1.0	-39.02	308.99	3.18	-35.84
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575003	0	34	-1.0	-36.44	304.75	2.48	-33.96
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575004	0	33	-1.0	-38.15	296.01	0.58	-37.57
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575005	0	33	-1.0	-36.74	296.16	0.60	-36.14
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575006	0	34	-1.0	-44.55	308.86	-2.90	-47.45
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575007	0	50	-1.0	-37.68	385.49	2.62	-35.06
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)NCC1=NC(=O)O[N-]1	REAL300025575008	0	44	-1.0	-38.98	378.42	5.82	-33.16
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300025575009	0	36	-1.0	-43.09	308.37	3.54	-39.55
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025575010	0	24	-1.0	-38.68	245.01	-0.70	-39.38
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC=C(Br)C=C2C(=O)O1	REAL300025575011	0	31	-1.0	-39.99	301.52	3.38	-36.61
CC1=NC(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2N1	REAL300025575012	0	32	-1.0	-47.43	288.43	-0.71	-48.14
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)SC(CC(F)(F)F)=N1	REAL300025575013	0	32	-1.0	-38.70	312.49	1.36	-37.34
C[C@H](NC(=O)CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025575014	0	40	-1.0	-39.55	344.27	1.75	-37.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL300025575015	0	26	-1.0	-35.20	271.25	1.16	-34.04
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025575016	0	30	-1.0	-40.23	286.36	2.22	-38.01
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575017	0	38	-1.0	-49.35	360.55	-5.04	-54.39
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575018	0	41	-1.0	-43.20	338.52	-0.08	-43.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1[N+](=O)[O-]	REAL300025575019	0	35	-1.0	-44.07	310.91	2.84	-41.23
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025575020	0	41	-1.0	-44.65	347.36	-0.23	-44.88
CC(C)(C)OC(=O)N1CC(C#N)C2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025575021	0	49	-1.0	-45.80	401.42	2.97	-42.83
CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575022	0	46	-1.0	-45.43	386.98	-3.15	-48.58
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575023	0	44	-1.0	-35.23	355.46	0.82	-34.41
O=C(CC1CCC2=C(C=CS2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025575024	0	33	-1.0	-46.00	296.12	3.63	-42.37
CC(C)(C)OC(=O)NCCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575025	0	47	-1.0	-46.56	396.07	0.21	-46.35
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)NCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025575026	0	45	-1.0	-40.91	360.74	2.68	-38.23
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575027	0	53	-1.0	-42.18	423.37	-0.74	-42.92
CC(C)(C)OC(=O)NC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575028	0	44	-1.0	-41.36	359.59	0.57	-40.79
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025575029	0	44	-1.0	-39.12	375.28	5.94	-33.18
CC(C)(C)OC(=O)NC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575030	0	37	-1.0	-39.63	332.29	0.00	-39.63
CN(CCCCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025575031	0	46	-1.0	-41.02	375.16	2.67	-38.35
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025575032	0	50	-1.0	-41.52	396.59	2.90	-38.62
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575033	0	44	-1.0	-36.38	368.07	0.53	-35.85
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575034	0	42	-1.0	-42.74	336.52	0.12	-42.62
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)(F)F)CC1	REAL300025575035	0	47	-1.0	-36.75	375.49	2.73	-34.02
CCOC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2(Cl)Cl)C=C1	REAL300025575036	0	38	-1.0	-37.61	353.73	4.18	-33.43
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300025575037	0	37	-1.0	-42.43	317.05	1.90	-40.53
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025575038	0	43	-1.0	-40.03	339.60	2.36	-37.67
CN1C(=O)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CC=C(F)C=C1	REAL300025575039	0	38	-1.0	-40.30	330.95	2.57	-37.73
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025575040	0	37	-1.0	-40.08	321.37	3.24	-36.84
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575041	0	44	-1.0	-41.47	362.66	1.85	-39.62
CC(C)(C)OC(=O)N1C(C(=O)NCC2=NC(=O)O[N-]2)CCC2CCCCC21	REAL300025575042	0	54	-1.0	-37.71	401.19	4.35	-33.36
CC(C)(C)OC(=O)N1CCC2(CCCCC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575043	0	57	-1.0	-39.61	401.86	4.13	-35.48
CC1=CC(F)=C2CC(C(=O)NCC3=NC(=O)O[N-]3)N(C(=O)OC(C)(C)C)C2=C1	REAL300025575044	0	48	-1.0	-43.22	396.22	4.75	-38.47
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025575045	0	35	-1.0	-48.98	303.69	2.75	-46.23
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025575046	0	42	-1.0	-59.29	354.67	3.42	-55.87
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025575047	0	35	-1.0	-46.32	329.23	2.57	-43.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN2N=CC(Br)=C12	REAL300025575048	0	27	-1.0	-42.81	271.44	1.20	-41.61
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575049	0	38	-1.0	-40.40	307.69	2.58	-37.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)S1	REAL300025575050	0	31	-1.0	-39.75	319.17	2.46	-37.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)S1	REAL300025575051	0	31	-1.0	-39.79	314.54	2.35	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC(I)=C1F	REAL300025575052	0	24	-1.0	-38.46	273.79	2.44	-36.02
O=C(COCCC1=CC=C(Br)C=C1)NCC1=NC(=O)O[N-]1	REAL300025575053	0	34	-1.0	-37.95	323.02	3.52	-34.43
O=C(CCCC1=CC=C(C2CC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025575054	0	40	-1.0	-37.66	337.87	5.42	-32.24
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL300025575055	0	33	-1.0	-40.30	303.16	2.94	-37.36
COC1=CC2=NC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025575056	0	33	-1.0	-41.15	291.86	0.74	-40.41
CC(C)C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025575057	0	44	-1.0	-47.90	363.07	4.49	-43.41
CC1=C(C2=CC=CC=C2)N(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025575058	0	37	-1.0	-42.40	330.75	3.05	-39.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=CC=CC=C23)=NN1	REAL300025575059	0	35	-1.0	-41.53	316.53	1.09	-40.44
CC1=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025575060	0	31	-1.0	-37.48	294.15	2.81	-34.67
CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025575061	0	30	-1.0	-34.78	280.07	2.92	-31.86
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=NC=CC=C1Br	REAL300025575062	0	26	-1.0	-40.61	265.64	1.19	-39.42
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=NO1	REAL300025575063	0	33	-1.0	-41.01	307.21	3.08	-37.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Br	REAL300025575064	0	33	-1.0	-45.47	314.12	1.99	-43.48
O=C(NCC1=NC(=O)O[N-]1)[C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025575065	0	42	-1.0	-50.40	357.47	5.81	-44.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN(CC(F)(F)F)C1=O	REAL300025575066	0	30	-1.0	-56.18	281.93	1.40	-54.78
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025575067	0	28	-1.0	-36.52	290.69	1.67	-34.85
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025575068	0	32	-1.0	-38.49	307.95	3.57	-34.92
CC1=CC=CN=C1OC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575069	0	37	-1.0	-39.75	327.68	2.12	-37.63
CS(C)(=O)=NS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575070	0	37	-1.0	-59.59	344.96	-2.25	-61.84
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575071	0	36	-1.0	-47.77	315.26	0.55	-47.22
CC1=CC=CC(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025575072	0	37	-1.0	-38.56	316.70	5.13	-33.43
CC(C)N1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575073	0	30	-1.0	-41.31	286.01	0.80	-40.51
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025575074	0	24	-1.0	-37.99	250.88	-0.29	-38.28
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575075	0	47	-1.0	-40.41	375.00	1.15	-39.26
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575076	0	46	-1.0	-35.75	361.52	1.42	-34.33
O=C(CC1=CC(Br)=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025575077	0	27	-1.0	-36.36	281.28	2.78	-33.58
CC(C)[C@H](C(=O)NCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025575078	0	41	-1.0	-47.89	339.64	5.09	-42.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300025575079	0	35	-1.0	-35.16	328.52	0.88	-34.28
O=C(NCC1=NC(=O)O[N-]1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300025575080	0	44	-1.0	-40.44	375.65	4.57	-35.87
CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025575081	0	43	-1.0	-44.44	375.90	-0.62	-45.06
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575082	0	45	-1.0	-40.65	354.98	2.67	-37.98
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575083	0	44	-1.0	-49.05	368.91	-1.17	-50.22
CC(C)(C)OC(=O)N1CCOC2=C(C=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575084	0	49	-1.0	-40.95	393.60	4.46	-36.49
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CN=C21	REAL300025575085	0	44	-1.0	-38.55	363.63	3.31	-35.24
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025575086	0	45	-1.0	-38.23	365.82	3.84	-34.39
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025575087	0	45	-1.0	-38.86	354.98	2.41	-36.45
CC(C)(C)OC(=O)NC1CCCN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025575088	0	48	-1.0	-48.33	390.66	0.14	-48.19
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCC1=NC(=O)O[N-]1	REAL300025575089	0	45	-1.0	-43.93	354.06	2.95	-40.98
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575090	0	41	-1.0	-37.65	348.11	-1.12	-38.77
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575091	0	52	-1.0	-39.26	394.95	2.13	-37.13
CC(C)(C)OC(=O)N1CCOC2=CC=CC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575092	0	49	-1.0	-40.02	390.01	3.17	-36.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL300025575093	0	42	-1.0	-35.74	331.19	3.27	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300025575094	0	26	-1.0	-36.06	269.76	0.82	-35.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C(Br)=C1	REAL300025575095	0	28	-1.0	-40.33	277.55	0.23	-40.10
CC1=C(Br)C=CC(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575096	0	27	-1.0	-37.57	268.69	2.00	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL300025575097	0	29	-1.0	-34.94	274.01	1.93	-33.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL300025575098	0	33	-1.0	-43.39	289.42	-1.72	-45.11
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025575099	0	32	-1.0	-44.15	289.41	1.47	-42.68
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NS1	REAL300025575100	0	30	-1.0	-35.27	307.26	2.89	-32.38
COC1=CC=CC(CC(C)CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575101	0	40	-1.0	-39.24	330.79	3.01	-36.23
O=C(CC1CCCC(C(F)(F)F)O1)NCC1=NC(=O)O[N-]1	REAL300025575102	0	34	-1.0	-39.84	299.04	1.81	-38.03
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300025575103	0	40	-1.0	-39.31	329.15	0.34	-38.97
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300025575104	0	40	-1.0	-40.14	332.65	3.01	-37.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(=O)O1	REAL300025575105	0	29	-1.0	-42.34	292.71	2.98	-39.36
CC1=C(C)C2=NC(C3=CN(C)N=C3)=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025575106	0	45	-1.0	-42.35	377.05	4.21	-38.14
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=N1	REAL300025575107	0	22	-1.0	-38.02	235.32	-0.88	-38.90
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575108	0	46	0.0	-61.27	375.38	4.22	-57.05
COC(=O)C1=CC=CN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025575109	0	33	-1.0	-50.83	302.86	1.85	-48.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1=O	REAL300025575110	0	34	-1.0	-47.00	297.61	0.93	-46.07
CN1N=C(C(F)(F)F)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C21	REAL300025575111	0	32	-1.0	-35.88	305.12	1.11	-34.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)C(F)(F)F	REAL300025575112	0	29	-1.0	-51.31	284.09	1.56	-49.75
CC1=C(C)C2=C(CCC(C)(C(=O)NCC3=NC(=O)O[N-]3)O2)C(C)=C1O	REAL300025575113	0	45	-1.0	-40.45	356.88	1.38	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025575114	0	24	-2.0	-85.65	259.14	1.64	-84.01
CCOC(=O)NC1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575115	0	35	-1.0	-47.40	314.74	0.28	-47.12
CN1C=C(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=O)C=N1	REAL300025575116	0	38	-1.0	-41.54	319.24	0.36	-41.18
CCOC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025575117	0	35	-1.0	-40.48	322.57	0.71	-39.77
COC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025575118	0	32	-1.0	-40.82	300.71	-0.22	-41.04
CC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025575119	0	31	-1.0	-39.50	290.85	0.58	-38.92
O=C(CC1CC(=O)NC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025575120	0	35	-1.0	-41.02	299.52	0.70	-40.32
COC(=O)NC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025575121	0	32	-1.0	-40.24	293.94	-0.59	-40.83
COC(=O)C1CCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025575122	0	37	-1.0	-43.88	318.62	1.32	-42.56
CC1=C(Br)OC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575123	0	24	-1.0	-36.33	247.85	0.42	-35.91
NC(=O)CCC(NC(=O)CCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575124	0	50	-1.0	-43.97	418.52	0.09	-43.88
COC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025575125	0	35	-1.0	-41.38	304.07	-0.03	-41.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL300025575126	0	38	-1.0	-38.99	332.53	2.42	-36.57
CC1=C(Br)C=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575127	0	27	-1.0	-33.85	261.44	2.32	-31.53
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575128	0	35	-1.0	-37.38	322.41	0.72	-36.66
O=C(CC1C(=O)NC2=C(Br)C=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025575129	0	32	-1.0	-43.26	303.95	2.02	-41.24
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=C2C=CC=CN12	REAL300025575130	0	27	-1.0	-44.60	270.17	2.06	-42.54
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C2C=C1	REAL300025575131	0	39	-1.0	-39.30	348.79	4.81	-34.49
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)NCC1=NC(=O)O[N-]1	REAL300025575132	0	35	-1.0	-41.88	318.62	-0.07	-41.95
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575133	0	53	0.0	-59.74	425.28	8.17	-51.57
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575133	1	53	0.0	-60.72	425.42	8.05	-52.67
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575134	0	53	0.0	-61.61	416.25	7.54	-54.07
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575134	1	53	0.0	-60.53	415.98	7.70	-52.83
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300025575135	0	34	-1.0	-41.81	297.92	1.43	-40.38
CCC1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025575136	0	40	-1.0	-50.03	325.72	1.94	-48.09
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575137	0	33	-1.0	-54.84	305.87	-3.36	-58.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)NC1=O	REAL300025575138	0	24	-1.0	-46.98	244.62	-1.25	-48.23
CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C(Br)C=C1	REAL300025575139	0	31	-1.0	-36.24	297.08	2.23	-34.01
CC(C)(C)C1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025575140	0	40	-1.0	-36.07	330.81	3.31	-32.76
CC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1Br	REAL300025575141	0	31	-1.0	-36.69	293.93	2.15	-34.54
O=C(CC1=CNC2=CN=C(Cl)C=C12)NCC1=NC(=O)O[N-]1	REAL300025575142	0	30	-1.0	-42.81	289.24	0.45	-42.36
CC(C)(C)OC(=O)NCCCSCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575143	0	47	-1.0	-39.56	399.95	1.44	-38.12
CSCC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575144	0	47	-1.0	-40.41	390.17	1.55	-38.86
CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575145	0	56	-1.0	-40.97	433.65	4.93	-36.04
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575146	0	47	-1.0	-38.05	372.55	1.10	-36.95
C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025575147	0	47	-1.0	-38.07	364.12	2.40	-35.67
CC(C)(C)OC(=O)NCC1=CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C=C1	REAL300025575148	0	47	-1.0	-46.64	399.42	1.95	-44.69
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025575149	0	45	-1.0	-39.26	365.60	3.89	-35.37
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575150	0	47	-1.0	-42.63	375.89	2.39	-40.24
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575151	0	47	-1.0	-39.79	366.56	2.21	-37.58
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025575152	0	56	-1.0	-39.13	412.47	3.38	-35.75
CC(C)(C)C1=CC=C(CSCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575153	0	43	-1.0	-38.02	366.38	5.42	-32.60
CC(NC(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025575154	0	51	-1.0	-41.05	387.42	-0.16	-41.21
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025575155	0	53	-1.0	-36.68	398.44	2.82	-33.86
CC(C)(C)OC(=O)N1CCC2CCCCC2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575156	0	54	-1.0	-39.52	401.40	4.87	-34.65
CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025575157	0	45	-1.0	-46.59	353.06	2.98	-43.61
CC1=CC(I)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575158	0	27	-1.0	-36.24	270.31	2.80	-33.44
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575159	0	30	-1.0	-42.11	284.99	2.72	-39.39
CN1CC(C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)CC1=O	REAL300025575160	0	45	-1.0	-42.67	361.39	0.52	-42.15
CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NCC2=NC(=O)O[N-]2)(C2=CC=CC=C2)C1	REAL300025575161	0	51	-1.0	-41.52	413.72	3.14	-38.38
COC1=CC=C(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NN2C)C=C1OC	REAL300025575162	0	42	-1.0	-44.71	358.39	1.25	-43.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575163	0	43	0.0	-58.51	346.02	4.44	-54.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575163	1	43	0.0	-57.07	342.95	4.52	-52.55
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N=C2C1	REAL300025575164	0	47	-1.0	-42.86	384.48	2.49	-40.37
CC(C)(C)OC(=O)NCCN1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025575165	0	51	-1.0	-51.55	408.95	0.37	-51.18
CCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575166	0	58	-1.0	-41.13	453.16	4.80	-36.33
CC1C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)N2CCN1C(=O)OC(C)(C)C	REAL300025575167	0	49	-1.0	-38.44	389.66	3.69	-34.75
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025575168	0	45	-1.0	-46.00	367.87	3.86	-42.14
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025575169	0	48	-1.0	-41.70	389.57	4.50	-37.20
COCCCOC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025575170	0	41	-1.0	-39.11	342.21	1.91	-37.20
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575171	0	47	-1.0	-35.57	379.15	1.39	-34.18
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575172	0	46	-1.0	-38.14	360.32	0.74	-37.40
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575173	0	41	-1.0	-39.45	343.59	-0.25	-39.70
CN1N=CC(NC(=O)OC(C)(C)C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575174	0	47	-1.0	-40.30	388.82	0.31	-39.99
COC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025575175	0	34	-1.0	-39.49	304.91	2.80	-36.69
CC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C2C=C1	REAL300025575176	0	39	-1.0	-40.57	340.97	3.87	-36.70
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575177	0	49	-1.0	-35.92	381.40	1.94	-33.98
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575178	0	47	-1.0	-47.91	384.53	0.20	-47.71
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025575179	0	49	-1.0	-40.19	377.54	1.58	-38.61
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025575180	0	50	-1.0	-41.50	396.33	2.88	-38.62
O=C(NCC1=NC(=O)O[N-]1)C1=CN2N=CC(Br)=C2C=C1	REAL300025575181	0	27	-1.0	-35.49	269.94	1.47	-34.02
CCC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575182	0	30	-1.0	-36.46	276.38	3.05	-33.41
COC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575183	0	28	-1.0	-36.49	271.89	0.97	-35.52
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC(Cl)=CC=C2Cl)=N1	REAL300025575184	0	33	-1.0	-37.57	332.14	3.38	-34.19
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(Br)=CC=CN2N=C1	REAL300025575185	0	27	-1.0	-44.09	266.32	1.30	-42.79
CN1C(C(=O)NCC2=NC(=O)O[N-]2)=CC2=CC(Br)=CN=C21	REAL300025575186	0	30	-1.0	-35.44	289.16	2.36	-33.08
NC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025575187	0	28	-1.0	-35.02	278.43	0.48	-34.54
CN1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=CC1=O	REAL300025575188	0	27	-1.0	-43.10	262.74	0.46	-42.64
CC(C)C1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575189	0	31	-1.0	-36.65	293.22	0.91	-35.74
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025575190	0	32	-1.0	-40.34	293.06	2.97	-37.37
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NCC1=NC(=O)O[N-]1	REAL300025575191	0	32	-1.0	-42.45	303.57	3.46	-38.99
O=C(NCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Br	REAL300025575192	0	29	-1.0	-37.11	282.24	1.40	-35.71
O=C(CN1N=C(C(F)F)C=C1C(F)F)NCC1=NC(=O)O[N-]1	REAL300025575193	0	30	-1.0	-40.96	294.88	0.66	-40.30
CN(CCCC(=O)NCC1=NC(=O)O[N-]1)C(=O)C1=CC=NC=C1	REAL300025575194	0	39	-1.0	-45.51	334.60	0.95	-44.56
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575195	0	37	-1.0	-38.32	309.99	4.95	-33.37
COC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025575196	0	36	-1.0	-38.20	308.05	1.40	-36.80
CC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575197	0	26	-1.0	-40.71	256.24	0.55	-40.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL300025575198	0	28	-1.0	-39.77	264.82	0.71	-39.06
O=C(NCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(Cl)=C1Cl	REAL300025575199	0	30	-1.0	-37.74	303.05	1.82	-35.92
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025575200	0	39	-1.0	-47.80	349.44	2.64	-45.16
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C(C(F)(F)F)C=C1F	REAL300025575201	0	27	-1.0	-34.24	281.05	2.63	-31.61
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025575202	0	31	-1.0	-38.20	286.34	2.78	-35.42
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575203	0	39	-1.0	-40.13	335.74	2.94	-37.19
CC1=NN(C)C=C1C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575204	0	35	-1.0	-43.93	312.21	0.93	-43.00
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)NCC1=NC(=O)O[N-]1	REAL300025575205	0	37	-1.0	-40.77	327.02	2.29	-38.48
CN1C(=O)CCC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025575206	0	35	-1.0	-40.28	297.80	1.94	-38.34
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025575207	0	26	-1.0	-35.93	255.78	0.34	-35.59
CC1=CC=C2CC(C)(C(=O)NCC3=NC(=O)O[N-]3)OC(=O)C2=C1	REAL300025575208	0	37	-1.0	-47.27	317.78	3.31	-43.96
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1C1CC1	REAL300025575209	0	30	-1.0	-34.46	284.83	2.19	-32.27
O=C(NCC1=NC(=O)O[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300025575210	0	28	-1.0	-37.41	279.59	1.05	-36.36
CC12CC3CC(Br)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C3)C2	REAL300025575211	0	41	-1.0	-36.16	326.59	4.04	-32.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CS2)=C1	REAL300025575212	0	32	-1.0	-39.36	296.33	1.48	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL300025575213	0	27	-1.0	-41.96	262.70	-0.98	-42.94
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL300025575214	0	30	-1.0	-47.42	281.22	0.90	-46.52
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(C(F)F)=NC2=CC=C1	REAL300025575214	1	30	-1.0	-38.74	279.97	0.86	-37.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL300025575215	0	33	-1.0	-39.98	295.32	2.41	-37.57
O=C(CC1=CC=CC(C(F)(F)F)=N1)NCC1=NC(=O)O[N-]1	REAL300025575216	0	29	-1.0	-43.85	279.69	1.20	-42.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1Br	REAL300025575217	0	23	-1.0	-34.16	253.88	0.39	-33.77
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300025575218	0	41	-1.0	-39.93	331.27	-1.43	-41.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL300025575219	0	35	-1.0	-36.39	323.91	4.11	-32.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC=C1Br	REAL300025575220	0	24	-1.0	-42.67	242.56	-1.41	-44.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=NN1	REAL300025575221	0	24	-1.0	-39.02	248.11	-1.55	-40.57
CC1=CC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025575222	0	29	-1.0	-35.24	286.00	1.05	-34.19
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C(C(F)(F)F)=C2)=N1	REAL300025575223	0	39	-1.0	-36.89	359.36	4.09	-32.80
CC(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025575224	0	43	-1.0	-49.90	342.34	2.41	-47.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O	REAL300025575225	0	33	-1.0	-47.53	308.85	1.38	-46.15
CCCOC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C	REAL300025575226	0	40	-1.0	-36.28	337.57	4.39	-31.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025575227	0	40	0.0	-57.61	326.41	3.04	-54.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL300025575227	1	39	-1.0	-38.85	324.05	0.81	-38.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1	REAL300025575228	0	37	-1.0	-43.93	346.27	3.69	-40.24
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575229	0	39	-1.0	-38.18	326.16	3.50	-34.68
O=C(CC1C(=O)NC2=CC=C(Br)C=C21)NCC1=NC(=O)O[N-]1	REAL300025575230	0	32	-1.0	-42.05	304.30	2.03	-40.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(F)C=C2N1	REAL300025575231	0	28	-1.0	-34.04	282.28	1.65	-32.39
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025575232	0	30	-2.0	-85.94	283.71	0.61	-85.33
COC1=C2C=CSC2=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575233	0	31	-1.0	-38.87	284.75	1.74	-37.13
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025575234	0	39	-1.0	-37.09	315.79	2.03	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300025575235	0	31	-1.0	-46.54	285.51	-1.07	-47.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL300025575236	0	27	-1.0	-36.87	276.95	2.96	-33.91
CC(CCC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025575237	0	36	-1.0	-36.85	324.22	4.29	-32.56
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025575238	0	34	-1.0	-39.45	318.96	3.12	-36.33
COC1=CC=CC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025575239	0	35	-1.0	-48.68	311.99	1.50	-47.18
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025575240	0	32	-1.0	-36.35	301.17	0.79	-35.56
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300025575241	0	28	-1.0	-47.23	282.63	2.32	-44.91
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025575242	0	51	-1.0	-41.88	394.75	0.26	-41.62
CCC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575243	0	46	-1.0	-40.86	366.94	1.06	-39.80
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025575244	0	53	-1.0	-40.41	403.57	2.65	-37.76
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575245	0	44	-1.0	-39.28	350.01	1.71	-37.57
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025575246	0	56	-1.0	-37.51	425.42	3.75	-33.76
CCC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575247	0	46	-1.0	-40.85	366.94	1.06	-39.79
CC(C)(C)OC(=O)NC1CC2CC(C(=O)NCC3=NC(=O)O[N-]3)CC21	REAL300025575248	0	48	-1.0	-40.15	370.57	2.61	-37.54
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C(C)NC(=O)OC(C)(C)C)S1	REAL300025575249	0	46	-1.0	-44.39	394.18	0.19	-44.20
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575250	0	47	-1.0	-41.40	361.13	2.95	-38.45
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]2C[C@H]21	REAL300025575251	0	45	-1.0	-40.45	365.42	1.17	-39.28
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025575252	0	51	-1.0	-42.26	382.21	2.19	-40.07
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025575253	0	47	-1.0	-42.82	362.09	2.93	-39.89
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025575254	0	44	-1.0	-40.59	369.53	2.46	-38.13
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)NCC1=NC(=O)O[N-]1	REAL300025575255	0	45	-1.0	-44.53	359.84	2.32	-42.21
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(C1)CCCCC2	REAL300025575256	0	54	-1.0	-39.51	409.14	3.62	-35.89
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(NC(=O)OC(C)(C)C)=N1	REAL300025575257	0	41	-1.0	-42.06	347.03	0.43	-41.63
CC(C)(C)OC(=O)N1CC(C2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575258	0	51	-1.0	-43.35	411.15	4.79	-38.56
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025575259	0	51	-1.0	-48.77	392.83	2.36	-46.41
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025575260	0	45	-1.0	-46.34	355.68	2.53	-43.81
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025575261	0	42	-1.0	-46.05	337.77	2.31	-43.74
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(Cl)=C1Cl	REAL300025575262	0	25	-1.0	-34.57	276.03	1.52	-33.05
COCC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025575263	0	43	-1.0	-36.79	352.43	1.22	-35.57
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575264	0	43	-1.0	-41.56	358.24	2.14	-39.42
CC(C)(C)OC(=O)N1CCCC2(C(=O)NCC3=NC(=O)O[N-]3)CC2C1	REAL300025575265	0	48	-1.0	-43.16	373.04	3.34	-39.82
CC(C)(C)OC(=O)NC1CCC2(CC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575266	0	51	-1.0	-42.13	400.55	2.45	-39.68
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575267	0	52	-1.0	-37.94	415.73	4.53	-33.41
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575268	0	44	-1.0	-35.60	357.65	0.61	-34.99
CC(C)(C)OC(=O)NC(CC1=NC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575269	0	43	-1.0	-38.76	359.75	-0.97	-39.73
CCCC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575270	0	49	-1.0	-40.78	388.44	1.84	-38.94
COC(=O)CC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575271	0	49	-1.0	-41.74	400.90	1.09	-40.65
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025575272	0	30	-1.0	-43.67	311.09	3.04	-40.63
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575273	0	41	-1.0	-39.21	361.60	0.64	-38.57
CCCC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575274	0	49	-1.0	-40.74	388.44	1.84	-38.90
CC(C)(C)OC(=O)N1CCOC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025575275	0	49	-1.0	-42.11	395.68	3.26	-38.85
CC(C)(C)OC(=O)N1CCC(C(C#N)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575276	0	48	-1.0	-40.50	385.64	2.80	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL300025575277	0	29	-1.0	-41.31	277.06	-1.32	-42.63
O=C(NCC1=NC(=O)O[N-]1)C1=NC(Br)=C2CCCCN12	REAL300025575278	0	31	-1.0	-41.10	286.72	1.61	-39.49
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300025575279	0	30	-1.0	-37.83	290.48	1.42	-36.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL300025575280	0	37	-1.0	-39.73	321.79	-1.05	-40.78
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=NO1	REAL300025575281	0	30	-1.0	-38.75	294.18	1.94	-36.81
O=C(NCC1=NC(=O)O[N-]1)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300025575282	0	31	-1.0	-35.61	310.35	1.48	-34.13
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300025575283	0	35	-1.0	-40.00	312.91	2.66	-37.34
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575284	0	40	-1.0	-48.95	352.54	1.95	-47.00
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=C1	REAL300025575285	0	27	-1.0	-43.19	273.42	1.32	-41.87
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL300025575286	0	32	-1.0	-35.23	292.47	2.11	-33.12
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025575287	0	31	-1.0	-42.37	301.49	2.39	-39.98
O=C(CN1C=C(I)N=N1)NCC1=NC(=O)O[N-]1	REAL300025575288	0	23	-1.0	-43.30	248.10	-1.23	-44.53
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1F	REAL300025575289	0	31	-1.0	-38.53	300.47	3.73	-34.80
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300025575290	0	30	-1.0	-35.50	304.64	2.48	-33.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300025575291	0	27	-1.0	-33.99	283.89	2.92	-31.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C(Br)=C1	REAL300025575292	0	31	-1.0	-40.44	305.79	2.28	-38.16
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CN=CC=C12	REAL300025575293	0	33	-1.0	-38.99	286.02	0.87	-38.12
COC1=CC=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025575294	0	30	-1.0	-35.85	282.52	-1.49	-37.34
COC1=CC=CC=C1C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575295	0	34	-1.0	-40.25	315.17	1.69	-38.56
O=C(NCC1=NC(=O)O[N-]1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300025575296	0	31	-1.0	-36.85	273.33	2.40	-34.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL300025575297	0	30	-1.0	-49.88	278.78	-5.51	-55.39
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025575298	0	35	-1.0	-43.56	309.19	-0.45	-44.01
CCCCCC1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575299	0	42	-1.0	-37.01	353.13	5.50	-31.51
O=C(NCC1=NC(=O)O[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL300025575300	0	32	-1.0	-35.66	288.16	1.72	-33.94
CC(C)(C)OCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575301	0	36	-1.0	-36.84	320.05	0.05	-36.79
CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL300025575302	0	33	-1.0	-36.43	300.97	2.28	-34.15
COC1=CC(F)=CC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025575303	0	35	-1.0	-43.65	318.45	1.57	-42.08
O=C(NCC1=NC(=O)O[N-]1)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025575304	0	46	-1.0	-40.08	375.17	7.44	-32.64
CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025575305	0	30	-1.0	-39.37	266.86	2.61	-36.76
CN(C)C1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025575306	0	35	-1.0	-39.34	314.54	1.94	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL300025575307	0	37	-1.0	-38.28	302.02	2.67	-35.61
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025575308	0	47	-1.0	-41.98	370.33	0.64	-41.34
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL300025575309	0	36	-1.0	-53.18	314.84	2.40	-50.78
CC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575310	0	43	-1.0	-40.91	345.44	0.31	-40.60
CC1CN2N=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2CN1C(=O)OC(C)(C)C	REAL300025575311	0	48	-1.0	-42.01	386.12	1.58	-40.43
CC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575312	0	43	-1.0	-40.92	345.44	0.31	-40.61
CC(C)(C)OC(=O)N1CCCC1C1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025575313	0	49	-1.0	-42.10	403.45	2.07	-40.03
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300025575314	0	38	-1.0	-48.01	328.11	2.82	-45.19
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL300025575315	0	31	-1.0	-42.86	292.26	2.25	-40.61
CC(C)(C)OC(=O)N1CC(C2=NNC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025575316	0	45	-1.0	-39.68	377.46	0.36	-39.32
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(CCNC(=O)OC(C)(C)C)S1	REAL300025575317	0	46	-1.0	-45.90	395.36	0.09	-45.81
CCN(CC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1)C(=O)OC(C)(C)C	REAL300025575318	0	56	-1.0	-44.49	423.04	4.98	-39.51
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C21	REAL300025575319	0	42	-1.0	-48.52	349.15	2.22	-46.30
CC(C)(C)OC(=O)NC1=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL300025575320	0	44	-1.0	-42.44	373.38	1.13	-41.31
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025575321	0	38	-1.0	-38.60	324.20	0.52	-38.08
O=C(NCC1=NC(=O)O[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL300025575322	0	38	-1.0	-39.61	313.56	0.90	-38.71
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025575323	0	42	-1.0	-38.34	357.88	-0.43	-38.77
CC1=C([C@@H]2OCC[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL300025575324	0	38	-1.0	-38.31	318.46	0.05	-38.26
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575325	0	44	-1.0	-38.55	351.85	2.01	-36.54
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575326	0	38	-1.0	-38.35	307.82	0.49	-37.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCCC3)OC2=C1	REAL300025575327	0	42	-1.0	-37.12	348.59	1.99	-35.13
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=C(F)C=C1	REAL300025575328	0	34	-1.0	-41.51	306.15	2.11	-39.40
O=C(NCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL300025575329	0	38	-1.0	-43.03	329.82	2.61	-40.42
O=C(NCC1=NC(=O)O[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL300025575330	0	33	-1.0	-38.34	294.44	0.51	-37.83
COC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025575331	0	34	-1.0	-43.09	307.90	0.05	-43.04
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1Cl	REAL300025575332	0	38	-1.0	-36.80	339.28	3.63	-33.17
O=C(CN1N=NN=C1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025575333	0	32	-1.0	-41.38	289.35	0.62	-40.76
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)NCC1=NC(=O)O[N-]1	REAL300025575334	0	35	-1.0	-39.50	319.76	2.89	-36.61
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)N1	REAL300025575335	0	31	-1.0	-39.80	293.44	-0.28	-40.08
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025575335	1	30	-2.0	-82.20	290.01	-0.71	-82.91
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300025575336	0	33	-1.0	-42.16	301.89	3.75	-38.41
CS(=O)(=O)C1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575337	0	36	-1.0	-44.64	327.83	0.06	-44.58
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Br	REAL300025575338	0	34	-1.0	-46.28	321.92	3.46	-42.82
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=C1	REAL300025575339	0	37	-1.0	-36.30	317.25	4.05	-32.25
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575340	0	41	-1.0	-36.87	341.26	1.00	-35.87
CCOC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025575341	0	31	-1.0	-42.32	302.31	1.71	-40.61
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025575342	0	29	-2.0	-80.85	279.58	0.85	-80.00
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL300025575342	1	30	-1.0	-53.94	282.82	1.29	-52.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1F	REAL300025575343	0	24	-1.0	-35.31	252.67	1.78	-33.53
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1C1CCCO1	REAL300025575344	0	55	-1.0	-37.57	411.89	2.42	-35.15
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Br)=C1	REAL300025575345	0	27	-1.0	-35.70	276.65	2.43	-33.27
CC(C)(C)OC(=O)NCC1CC(C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025575346	0	45	-1.0	-41.26	367.38	-1.34	-42.60
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025575347	0	51	-1.0	-38.58	397.75	4.82	-33.76
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025575348	0	31	-1.0	-37.14	297.00	2.22	-34.92
CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575349	0	49	-1.0	-41.95	381.56	0.88	-41.07
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCCC[C@H]12	REAL300025575350	0	51	-1.0	-40.26	388.23	3.49	-36.77
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1	REAL300025575351	0	49	-1.0	-40.78	395.64	3.26	-37.52
CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575352	0	47	-1.0	-38.35	378.98	2.73	-35.62
CC(C)C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575353	0	49	-1.0	-40.88	388.25	1.70	-39.18
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575354	0	44	-1.0	-37.88	369.85	-0.87	-38.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300025575355	0	32	-1.0	-39.10	294.49	4.36	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL300025575356	0	31	-1.0	-47.08	295.20	2.33	-44.75
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025575357	0	36	-1.0	-47.14	350.77	3.54	-43.60
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)N(CC2=CC=CC=C2)N=C1	REAL300025575358	0	34	-1.0	-37.57	323.29	3.06	-34.51
CC(C)(C)OC(=O)NCC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025575359	0	43	-1.0	-42.84	377.68	-0.62	-43.46
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575360	0	45	-1.0	-37.43	362.36	1.10	-36.33
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025575361	0	30	-1.0	-35.58	289.47	3.37	-32.21
O=C(CC1=NN(CC(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025575362	0	30	-1.0	-45.63	287.19	0.86	-44.77
O=C(NCC1=NC(=O)O[N-]1)C1=NC=CC2=C(Br)C=CC=C21	REAL300025575363	0	29	-1.0	-38.27	277.89	2.10	-36.17
CC(C)(C)OC(=O)CN1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025575364	0	46	-1.0	-47.51	371.95	3.01	-44.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC=C1N1CCOCC1	REAL300025575365	0	36	-1.0	-37.00	301.85	-0.71	-37.71
CCOC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=C1	REAL300025575366	0	37	-1.0	-45.91	321.00	3.34	-42.57
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575367	0	41	-1.0	-37.06	342.84	-2.13	-39.19
O=C(CCC1=CC=C2OCCCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025575368	0	38	-1.0	-37.93	320.85	3.17	-34.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300025575369	0	34	-1.0	-42.63	306.17	2.06	-40.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1	REAL300025575370	0	37	-1.0	-40.93	341.96	3.11	-37.82
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575371	0	34	-1.0	-35.58	307.41	2.42	-33.16
CC(C)(CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025575372	0	44	-1.0	-39.47	363.64	1.57	-37.90
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575373	0	40	-1.0	-37.42	356.73	-1.31	-38.73
CC(C)C[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575374	0	49	-1.0	-40.92	388.63	1.69	-39.23
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(CNC(=O)OC(C)(C)C)S1	REAL300025575375	0	43	-1.0	-43.16	373.85	-0.67	-43.83
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025575376	0	45	-1.0	-42.87	368.68	1.13	-41.74
CC(C)(C)OC(=O)N1CC=C(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025575377	0	45	-1.0	-40.96	355.59	2.72	-38.24
O=C(CC1=C(Br)SC=C1)NCC1=NC(=O)O[N-]1	REAL300025575378	0	24	-1.0	-36.96	255.68	1.35	-35.61
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575379	0	41	-1.0	-40.27	339.39	4.24	-36.03
CCCOC1=CC=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=C1	REAL300025575380	0	41	-1.0	-43.79	350.56	2.80	-40.99
O=C(NCC1=NC(=O)O[N-]1)C1CCCC(NC2=CN=CC=N2)C1	REAL300025575381	0	40	-1.0	-38.79	329.15	0.34	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL300025575382	0	34	-1.0	-40.82	302.87	3.60	-37.22
CS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025575383	0	32	-1.0	-43.62	310.71	-1.83	-45.45
COC(=O)C1=C2CCCCN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575384	0	38	-1.0	-36.82	320.55	2.89	-33.93
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL300025575385	0	30	-1.0	-38.70	288.38	1.56	-37.14
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025575386	0	49	-1.0	-40.17	377.55	1.58	-38.59
CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575387	0	53	-1.0	-39.19	426.47	4.29	-34.90
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575388	0	53	-1.0	-39.26	426.48	4.29	-34.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O	REAL300025575389	0	30	-1.0	-48.53	299.70	1.43	-47.10
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL300025575390	0	29	-1.0	-44.96	283.40	0.08	-44.88
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL300025575391	0	30	-1.0	-42.83	282.55	-0.51	-43.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL300025575392	0	28	-1.0	-35.42	271.56	0.92	-34.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1	REAL300025575393	0	35	-1.0	-36.17	321.01	4.83	-31.34
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL300025575394	0	26	-1.0	-37.15	258.78	1.09	-36.06
CC(C)[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575395	0	46	-1.0	-40.53	361.95	0.80	-39.73
COC(=O)C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575396	0	46	-1.0	-40.68	378.76	0.60	-40.08
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575397	0	44	-1.0	-42.68	356.05	1.92	-40.76
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575398	0	47	-1.0	-41.74	361.42	2.95	-38.79
CC(C)(C)OC(=O)N1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575399	0	45	-1.0	-43.95	383.09	-1.09	-45.04
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)NCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025575400	0	48	-1.0	-40.38	376.14	2.03	-38.35
CC1CC(C)C(C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025575401	0	50	-1.0	-39.04	381.42	3.77	-35.27
CC(C)[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575402	0	46	-1.0	-40.53	362.00	0.80	-39.73
CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575403	0	44	-1.0	-44.40	371.77	-3.46	-47.86
CN(C)C1=NC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575404	0	30	-1.0	-37.74	286.86	2.16	-35.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300025575405	0	34	-1.0	-40.89	326.60	3.31	-37.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL300025575406	0	36	-1.0	-45.01	335.07	3.42	-41.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL300025575407	0	35	-1.0	-50.55	330.41	6.42	-44.13
CC(C)(C)OC(=O)N1C[C@@]2(C(F)(F)F)C[C@@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575408	0	45	-1.0	-36.94	379.11	2.92	-34.02
O=C(NCC1=NC(=O)O[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL300025575409	0	38	-1.0	-41.78	321.29	0.94	-40.84
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=C1	REAL300025575410	0	31	-1.0	-41.31	297.84	3.07	-38.24
O=C(NCC1=NC(=O)O[N-]1)C1=CSC2=C1CCCCCC2	REAL300025575411	0	37	-1.0	-37.18	297.04	3.48	-33.70
CC1(C)CCC2=C(C1)SC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025575412	0	37	-1.0	-37.03	307.74	3.53	-33.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(Cl)=C1Cl	REAL300025575413	0	36	-1.0	-38.45	341.37	4.74	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=C1	REAL300025575414	0	27	-1.0	-40.85	273.71	1.33	-39.52
CC(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025575415	0	40	-1.0	-36.86	332.85	4.41	-32.45
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575416	0	34	-1.0	-36.57	306.60	2.88	-33.69
CC(NC(=O)NCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1)C1=CC=CS1	REAL300025575417	0	43	-1.0	-41.63	393.45	0.68	-40.95
CC(C)(C)OC(=O)NCC(CC1CCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575418	0	53	-1.0	-38.47	405.60	3.59	-34.88
CC(C)(C)OC(=O)NCCCCSCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575419	0	47	-1.0	-42.17	399.78	1.42	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300025575420	0	38	-1.0	-35.98	326.43	4.31	-31.67
CS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575421	0	33	-1.0	-46.39	306.45	-0.75	-47.14
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300025575422	0	33	-1.0	-35.50	306.10	2.38	-33.12
CC1=C(CC(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025575423	0	37	-1.0	-38.69	329.29	3.21	-35.48
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300025575424	0	35	-1.0	-43.27	323.36	3.19	-40.08
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2CCCCC2)=NO1	REAL300025575425	0	39	-1.0	-36.39	328.22	3.09	-33.30
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575426	0	37	-1.0	-40.16	328.62	4.51	-35.65
COC1=C(F)C(F)=CC2=C1N(C1CC1)C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025575427	0	41	-1.0	-48.44	354.38	3.72	-44.72
CC(C)(C)CN1C(=O)NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025575428	0	43	-1.0	-42.24	349.16	2.50	-39.74
O=C(NCC1=NC(=O)O[N-]1)C1=C2COCCN2C(C2=CC=CC=C2)=N1	REAL300025575429	0	39	-1.0	-46.57	331.10	2.07	-44.50
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1	REAL300025575430	0	41	-1.0	-38.82	343.17	6.24	-32.58
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300025575431	0	34	-1.0	-38.95	317.63	2.84	-36.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300025575432	0	41	-1.0	-43.66	337.24	3.01	-40.65
CCCCCCCSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575433	0	46	-1.0	-35.71	390.13	6.82	-28.89
O=C(CN1CCCC2(CC2)S1(=O)=O)NCC1=NC(=O)O[N-]1	REAL300025575434	0	36	-1.0	-48.19	314.35	-1.15	-49.34
CC(C)(C)OC(=O)NC1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)CC1	REAL300025575435	0	54	-1.0	-40.27	417.77	2.73	-37.54
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575436	0	50	-1.0	-39.61	393.06	2.98	-36.63
CC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=N1	REAL300025575437	0	32	-1.0	-41.43	296.25	1.76	-39.67
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575438	0	44	-1.0	-42.51	351.81	2.54	-39.97
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025575439	0	51	-1.0	-43.03	393.80	3.99	-39.04
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025575440	0	37	-1.0	-35.49	295.26	2.14	-33.35
CN(C)S(=O)(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575441	0	40	-1.0	-42.84	335.90	-1.86	-44.70
O=C(CCC1=CN=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025575442	0	29	-1.0	-36.35	283.32	1.36	-34.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL300025575443	0	28	-1.0	-37.53	266.77	0.69	-36.84
CCCCCCCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575444	0	48	-1.0	-36.66	393.00	7.17	-29.49
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300025575445	0	37	-1.0	-40.63	307.11	2.74	-37.89
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575446	0	35	-1.0	-36.21	305.29	1.99	-34.22
CC1(C)OC(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025575447	0	34	-1.0	-41.60	301.38	2.74	-38.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL300025575448	0	30	-1.0	-41.35	287.58	2.14	-39.21
CCCCNC(=O)CSC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575449	0	43	-1.0	-47.49	382.76	1.13	-46.36
NC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575450	0	30	-1.0	-49.02	282.94	-2.36	-51.38
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575451	0	41	-1.0	-40.79	341.81	-3.37	-44.16
CN1N=C(C2CCOCC2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575452	0	38	-1.0	-36.59	316.01	0.13	-36.46
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575453	0	34	-1.0	-50.36	305.43	3.04	-47.32
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025575454	0	34	-1.0	-48.86	309.40	2.80	-46.06
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C2C1=O	REAL300025575455	0	32	-1.0	-37.32	286.38	1.99	-35.33
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575456	0	33	-1.0	-49.62	304.87	-0.91	-50.53
CN1C=C(Br)C(CC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575457	0	27	-1.0	-41.30	269.49	-0.01	-41.31
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC2=CC=CC=C21	REAL300025575458	0	33	-1.0	-39.54	295.88	3.82	-35.72
O=C(CN1C=CC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025575459	0	31	-1.0	-38.88	300.28	3.81	-35.07
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=N1	REAL300025575460	0	26	-1.0	-47.32	268.55	1.16	-46.16
CC1=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025575461	0	31	-1.0	-34.63	297.33	2.25	-32.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(Cl)=N1	REAL300025575462	0	29	-1.0	-39.89	300.38	2.56	-37.33
CC1=CC=CC=C1C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025575463	0	40	-1.0	-38.26	333.44	5.51	-32.75
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025575464	0	30	-1.0	-36.86	288.36	2.21	-34.65
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1(C)C	REAL300025575465	0	50	-1.0	-41.62	380.54	2.20	-39.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1OCC(F)(F)F	REAL300025575466	0	30	-1.0	-40.52	302.10	1.56	-38.96
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575467	0	46	-1.0	-42.28	369.44	2.08	-40.20
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025575468	0	45	-1.0	-36.67	357.45	-0.93	-37.60
CC(C)(C)OC(=O)N1CC2(CC2(F)F)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575469	0	45	-1.0	-41.68	379.58	2.84	-38.84
CC[C@H](C)[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575470	0	49	-1.0	-40.69	383.50	1.89	-38.80
CC(C)(C)OC(=O)N1CC2(C1)COC(CC(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025575471	0	49	-1.0	-45.36	396.19	1.28	-44.08
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575472	0	50	-1.0	-42.98	384.41	3.18	-39.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL300025575473	0	33	-1.0	-41.72	293.70	2.60	-39.12
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300025575474	0	31	-1.0	-38.62	294.99	2.49	-36.13
CN1CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025575475	0	34	-1.0	-39.80	295.44	0.21	-39.59
CC(C)(C)OC(=O)NCCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575476	0	47	-1.0	-42.63	390.52	2.26	-40.37
CC1=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025575477	0	27	-1.0	-38.41	277.67	1.93	-36.48
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575478	0	46	-1.0	-38.99	378.79	0.08	-38.91
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025575479	0	45	-1.0	-39.24	380.03	3.39	-35.85
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575480	0	43	-1.0	-42.93	364.34	0.11	-42.82
CC(C)(C)OC(=O)N1CCOC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025575481	0	49	-1.0	-45.43	392.88	3.60	-41.83
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1N	REAL300025575482	0	32	-1.0	-39.73	288.16	-0.82	-40.55
CC1=CC=CC(C(C(=O)NCC2=NC(=O)O[N-]2)C2CCCCC2)=C1	REAL300025575483	0	46	-1.0	-36.37	364.58	5.88	-30.49
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=N1	REAL300025575484	0	34	-1.0	-41.54	306.26	2.45	-39.09
CS(=O)(=O)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CS1	REAL300025575485	0	27	-1.0	-42.17	264.87	-1.33	-43.50
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CSC=C2)=NO1	REAL300025575486	0	30	-1.0	-37.98	291.91	1.73	-36.25
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NCC1=NC(=O)O[N-]1	REAL300025575487	0	32	-1.0	-40.81	300.23	2.67	-38.14
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025575488	0	50	-1.0	-40.91	389.30	2.15	-38.76
CC(C)(C)OC(=O)N1CCC2=C(C=CO2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575489	0	45	-1.0	-41.57	366.38	2.79	-38.78
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575490	0	42	-1.0	-37.41	340.70	-0.98	-38.39
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL300025575491	0	30	-1.0	-39.06	291.84	2.42	-36.64
CC(C)(C)OC(=O)N1CCOC2C(C(=O)NCC3=NC(=O)O[N-]3)C21	REAL300025575492	0	43	-1.0	-41.26	353.19	0.23	-41.03
COC[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575493	0	44	-1.0	-40.47	364.07	-1.06	-41.53
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL300025575494	0	37	-1.0	-41.19	306.49	3.16	-38.03
CC(C)(C)OC(=O)N1CCCC2C(C(=O)NCC3=NC(=O)O[N-]3)C21	REAL300025575495	0	45	-1.0	-40.04	350.68	3.41	-36.63
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025575496	0	41	-1.0	-35.56	331.92	0.83	-34.73
COC(=O)C[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575497	0	46	-1.0	-40.64	378.60	0.71	-39.93
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575498	0	47	-1.0	-36.40	375.74	2.82	-33.58
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL300025575499	0	46	-1.0	-39.06	375.70	0.38	-38.68
CC(C)(C)OC(=O)NCC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025575500	0	51	-1.0	-40.33	420.46	3.19	-37.14
CC1=NSC(C(=O)NCC2=NC(=O)O[N-]2)=C1NC(=O)OC(C)(C)C	REAL300025575501	0	40	-1.0	-36.47	347.20	-0.15	-36.62
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575502	0	47	-1.0	-39.75	370.33	2.05	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=N1	REAL300025575503	0	26	-1.0	-42.08	268.50	1.23	-40.85
COC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575504	0	48	-1.0	-42.94	389.19	1.98	-40.96
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=CC=C2)=N1	REAL300025575505	0	34	-1.0	-43.17	320.18	1.36	-41.81
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575506	0	43	-1.0	-39.41	369.36	-2.35	-41.76
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C(F)=C2N1	REAL300025575507	0	28	-1.0	-36.89	281.84	1.63	-35.26
CC1=C(Cl)C=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025575508	0	31	-1.0	-35.35	290.21	2.07	-33.28
COC1=CC=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)N(C)C2=C1	REAL300025575509	0	35	-1.0	-38.11	301.82	1.86	-36.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL300025575510	0	28	-1.0	-40.50	279.31	1.93	-38.57
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025575511	0	56	-1.0	-40.60	420.48	3.54	-37.06
CC(C)(C)OC(=O)NC1CCN2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025575512	0	48	-1.0	-40.69	390.81	0.26	-40.43
NC(=O)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025575513	0	35	-1.0	-43.80	310.26	-1.54	-45.34
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575514	0	50	-1.0	-40.84	374.98	2.75	-38.09
O=C(COCCC1=CC=C(Cl)S1)NCC1=NC(=O)O[N-]1	REAL300025575515	0	31	-1.0	-37.71	308.99	2.60	-35.11
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575516	0	41	-1.0	-38.50	357.54	5.44	-33.06
CC1=CC=C(C)C(C(C(=O)NCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025575517	0	42	-1.0	-36.57	340.36	4.56	-32.01
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)ON=C1C1=CC=CC=C1	REAL300025575518	0	43	-1.0	-38.19	366.21	5.66	-32.53
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NCC1=NC(=O)O[N-]1	REAL300025575519	0	34	-1.0	-41.43	314.37	1.94	-39.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300025575520	0	31	-1.0	-37.24	295.54	3.58	-33.66
CC1=CC(Br)=CC(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575521	0	33	-1.0	-36.37	301.13	3.36	-33.01
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=CC=C(Br)C2=N1	REAL300025575522	0	27	-1.0	-48.00	272.91	2.08	-45.92
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575523	0	43	-1.0	-39.30	364.06	-0.29	-39.59
CCN1N=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575524	0	27	-1.0	-35.99	269.80	0.15	-35.84
CCN1C=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575525	0	27	-1.0	-42.28	267.29	0.31	-41.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300025575526	0	38	-1.0	-43.27	322.15	1.44	-41.83
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCC1=NC(=O)O[N-]1	REAL300025575527	0	37	-1.0	-41.20	330.00	3.39	-37.81
CN1C=C(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025575528	0	30	-1.0	-38.85	277.37	0.61	-38.24
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025575529	0	47	-1.0	-47.46	392.98	-0.42	-47.88
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575530	0	40	-1.0	-36.62	334.26	-0.45	-37.07
CC(C)(C)OC(=O)NC1=CC=C2SC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025575531	0	44	-1.0	-39.91	382.38	2.69	-37.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CNC(=O)OC(C)(C)C)=N1	REAL300025575532	0	43	-1.0	-37.30	373.74	-0.69	-37.99
COC1=CC=C2C(CC(=O)NCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025575533	0	35	-1.0	-41.36	307.08	1.07	-40.29
O=C(CCC1=CC=C(Cl)C=C1Br)NCC1=NC(=O)O[N-]1	REAL300025575534	0	30	-1.0	-36.02	301.10	3.52	-32.50
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025575535	0	48	-1.0	-41.34	379.75	-0.27	-41.61
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575536	0	50	-1.0	-43.01	384.52	3.16	-39.85
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(C)(C)C1	REAL300025575537	0	50	-1.0	-42.27	384.85	2.61	-39.66
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575538	0	47	-1.0	-41.79	363.38	1.55	-40.24
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025575539	0	39	-1.0	-38.53	342.51	4.37	-34.16
CC1=CC=CC=C1C(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025575540	0	43	-1.0	-36.89	338.39	5.69	-31.20
NS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575541	0	29	-1.0	-40.61	296.56	-3.38	-43.99
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300025575542	0	29	-1.0	-40.24	281.95	2.10	-38.14
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300025575543	0	30	-1.0	-38.58	284.27	-1.21	-39.79
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575544	0	31	-1.0	-34.40	281.66	1.61	-32.79
CC(C)(C)OC(=O)N1C2C(CCC1C(=O)NCC1=NC(=O)O[N-]1)C2(F)F	REAL300025575545	0	45	-1.0	-44.51	365.97	3.18	-41.33
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)CO2	REAL300025575546	0	46	-1.0	-38.20	377.97	-1.00	-39.20
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575547	0	45	-1.0	-42.73	367.46	-0.91	-43.64
CC1=CC(Br)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575548	0	26	-1.0	-37.15	255.71	0.60	-36.55
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025575549	0	33	-1.0	-35.84	300.40	3.26	-32.58
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025575550	0	30	-1.0	-34.70	285.86	-1.15	-35.85
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575551	0	50	-1.0	-41.88	381.24	1.61	-40.27
CC(C)(C)OC(=O)N1CCCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575552	0	50	-1.0	-38.32	390.97	3.72	-34.60
CC(C)(C)OC(=O)NCC(CC(=O)NCC1=NC(=O)O[N-]1)C1CCC1	REAL300025575553	0	50	-1.0	-38.30	386.61	2.48	-35.82
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H](C(F)F)C1	REAL300025575554	0	44	-1.0	-37.20	366.83	1.82	-35.38
CC(C)(C)OC(=O)NC1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575555	0	45	-1.0	-39.13	361.52	0.35	-38.78
COCCC1=NC(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025575556	0	39	-1.0	-38.34	348.48	0.21	-38.13
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025575557	0	45	-1.0	-49.54	369.15	2.63	-46.91
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025575558	0	56	-1.0	-37.50	425.40	3.71	-33.79
CC(C)(C)OC(=O)N1CCCC1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575559	0	48	-1.0	-42.86	405.44	4.36	-38.50
CC(C)(C)OC(=O)NC(CC1CCCCO1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575560	0	51	-1.0	-36.84	392.65	0.86	-35.98
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575561	0	45	-1.0	-39.10	377.62	3.87	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300025575562	0	29	-1.0	-54.01	281.62	0.64	-53.37
CC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1(F)F	REAL300025575563	0	34	-1.0	-38.41	298.95	3.66	-34.75
CC(C)CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575564	0	57	-1.0	-35.46	413.06	4.21	-31.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL300025575565	0	24	-1.0	-34.63	267.42	2.16	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL300025575566	0	33	-1.0	-36.78	291.82	2.16	-34.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300025575567	0	27	-1.0	-34.86	272.93	2.47	-32.39
O=C(CCN1CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025575568	0	35	-1.0	-45.02	310.59	1.91	-43.11
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1	REAL300025575569	0	36	-1.0	-53.27	332.05	3.11	-50.16
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(Cl)S1	REAL300025575570	0	29	-1.0	-39.16	283.27	0.69	-38.47
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025575571	0	36	-1.0	-40.15	317.91	-0.24	-40.39
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575572	0	46	-1.0	-42.03	383.49	1.89	-40.14
CC1=CC=CN=C1CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575573	0	49	-1.0	-37.27	387.72	0.79	-36.48
CC(CCNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575574	0	43	-1.0	-38.75	349.94	-0.19	-38.94
CC(C)(C)OC(=O)NC(CCC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575575	0	49	-1.0	-44.04	400.44	2.15	-41.89
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(CCC2)C1	REAL300025575576	0	48	-1.0	-40.88	379.82	2.79	-38.09
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025575577	0	49	-1.0	-42.02	402.07	-0.70	-42.72
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575578	0	47	-1.0	-43.77	372.24	2.49	-41.28
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025575579	0	51	-1.0	-40.48	392.17	0.60	-39.88
C[C@H](C(=O)NCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025575580	0	40	-1.0	-38.60	324.07	1.05	-37.55
CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575581	0	51	-1.0	-42.75	407.85	1.53	-41.22
CC(C)(C)OC(=O)N1CCC(CC(F)F)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575582	0	50	-1.0	-38.73	387.53	3.01	-35.72
CN(C(=O)OC(C)(C)C)C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575583	0	41	-1.0	-43.25	336.18	1.85	-41.40
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025575584	0	37	-1.0	-36.90	330.29	3.76	-33.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL300025575585	0	30	-1.0	-36.76	283.70	2.08	-34.68
CC1=CC=CC=C1C(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025575586	0	46	-1.0	-36.25	357.99	5.87	-30.38
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC2=CC=CC=C21	REAL300025575587	0	44	-1.0	-39.60	360.01	6.99	-32.61
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025575588	0	44	0.0	-53.04	350.23	4.95	-48.09
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025575588	1	44	0.0	-54.27	351.15	4.93	-49.34
COC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1COC1=CC=CC=C1Cl	REAL300025575589	0	42	-1.0	-42.63	374.97	4.36	-38.27
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Br	REAL300025575590	0	24	-1.0	-36.41	256.34	2.22	-34.19
COC1=CC=CC=C1C1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NO1	REAL300025575591	0	34	-1.0	-39.45	305.65	1.56	-37.89
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(C3=CC=CC=C3)C=C2)=NO1	REAL300025575592	0	43	-1.0	-39.74	375.24	6.12	-33.62
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(CC2=CC=CC=C2)=NO1	REAL300025575593	0	36	-1.0	-37.58	325.88	3.63	-33.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(F)C(Br)=CC=C2N1	REAL300025575594	0	28	-1.0	-35.52	281.93	1.66	-33.86
COC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025575595	0	35	-1.0	-38.35	305.04	0.91	-37.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300025575596	0	28	-1.0	-37.17	277.43	1.53	-35.64
CC1=C(Cl)C2=NC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025575597	0	32	-1.0	-36.81	291.92	2.61	-34.20
O=C(CN1C=CC2=CC=C(Br)C=C21)NCC1=NC(=O)O[N-]1	REAL300025575598	0	31	-1.0	-39.60	300.18	3.81	-35.79
CCC1=NN(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)C2=CC3=C(C=CS3)N21	REAL300025575599	0	39	-1.0	-48.25	355.15	3.69	-44.56
COC1=NN2C(=NN=C2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575600	0	35	-1.0	-43.03	316.62	-0.70	-43.73
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575601	0	46	-1.0	-35.46	366.39	0.85	-34.61
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575602	0	46	-1.0	-36.71	369.66	-0.01	-36.72
CNS(=O)(=O)C1=C(Br)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575603	0	29	-1.0	-38.68	309.88	-3.07	-41.75
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Br)S1	REAL300025575604	0	24	-1.0	-35.45	252.19	1.48	-33.97
CC(C)(C)OC(=O)NC(CC1CC=CCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575605	0	51	-1.0	-39.70	399.42	3.96	-35.74
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CCOC1	REAL300025575606	0	48	-1.0	-39.48	376.93	0.12	-39.36
COC1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)OC2=C1	REAL300025575607	0	34	-1.0	-39.13	302.70	1.38	-37.75
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575608	0	50	-1.0	-42.31	388.58	3.94	-38.37
CC1=NC=C2C(=N1)CN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025575609	0	46	-1.0	-41.88	380.12	2.09	-39.79
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL300025575610	0	29	-1.0	-39.01	268.54	0.82	-38.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL300025575611	0	29	-1.0	-38.40	275.05	1.89	-36.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL300025575612	0	29	-1.0	-36.35	281.44	1.95	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL300025575613	0	30	-1.0	-48.07	276.63	0.46	-47.61
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025575614	0	43	-1.0	-41.77	373.25	6.18	-35.59
COC1=C(Br)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575615	0	28	-1.0	-37.51	270.76	2.30	-35.21
O=C(CCC1=NC(C2=CC=C(Br)C=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025575616	0	35	-1.0	-37.44	339.34	1.79	-35.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C(Br)=CS2	REAL300025575617	0	24	-1.0	-36.98	271.84	2.17	-34.81
CC(C)OC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025575618	0	34	-1.0	-39.44	302.18	2.45	-36.99
O=C(CC1=CN=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025575619	0	26	-1.0	-37.36	261.92	0.55	-36.81
COC1CC(C(=O)NCC2=NC(=O)O[N-]2)(N(C)C(=O)OC(C)(C)C)C1	REAL300025575620	0	48	-1.0	-43.28	383.91	1.54	-41.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300025575621	0	38	-1.0	-39.38	329.77	4.62	-34.76
O=C(CCC1=NC(C2=CC=CC(Br)=C2)=NO1)NCC1=NC(=O)O[N-]1	REAL300025575622	0	35	-1.0	-38.73	339.34	1.78	-36.95
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCOCC1(C)C	REAL300025575623	0	51	-1.0	-41.63	381.08	0.85	-40.78
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2CCOCC2)C1	REAL300025575624	0	55	-1.0	-44.00	409.75	2.82	-41.18
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NC(=O)O[N-]2)CC[C@H](O)C1	REAL300025575625	0	45	-1.0	-44.49	359.88	-2.76	-47.25
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575626	0	50	-1.0	-43.35	381.44	3.91	-39.44
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1(C)CC1	REAL300025575627	0	44	-1.0	-35.60	360.09	0.72	-34.88
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL300025575628	0	43	-1.0	-42.79	343.26	0.74	-42.05
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575629	0	51	-1.0	-44.83	388.05	3.75	-41.08
CN(C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575630	0	50	-1.0	-37.81	403.90	5.02	-32.79
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575631	0	44	-1.0	-38.04	354.53	0.55	-37.49
O=C(NCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC(F)=C1	REAL300025575632	0	42	-1.0	-35.36	336.13	2.40	-32.96
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025575632	1	43	0.0	-52.14	336.95	4.52	-47.62
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025575632	1	43	0.0	-47.38	346.42	4.68	-42.70
CCN(C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575633	0	53	-1.0	-40.97	417.82	6.35	-34.62
CC(C)(C)OC(=O)N1CC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575634	0	39	-1.0	-41.97	328.64	0.96	-41.01
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575635	0	53	-1.0	-34.69	397.50	2.23	-32.46
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575636	0	50	-1.0	-42.70	405.57	3.91	-38.79
CC(C)(C)OC(=O)NC(CCC1=CC=CC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575637	0	49	-1.0	-46.25	399.76	2.12	-44.13
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575638	0	43	-1.0	-39.79	356.95	1.31	-38.48
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575639	0	42	-1.0	-39.01	340.73	1.94	-37.07
C=CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575640	0	41	-1.0	-35.55	338.26	-0.11	-35.66
CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575641	0	50	-1.0	-42.69	405.57	3.91	-38.78
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575642	0	45	-1.0	-47.44	363.98	1.15	-46.29
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025575643	0	48	-1.0	-44.51	373.76	1.34	-43.17
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)CC1CCCC1	REAL300025575644	0	53	-1.0	-40.84	413.32	2.96	-37.88
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575645	0	53	-1.0	-36.91	414.82	0.73	-36.18
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1C(F)(F)F	REAL300025575646	0	27	-1.0	-37.20	279.93	0.15	-37.05
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(F)=C1Br	REAL300025575647	0	27	-1.0	-38.28	264.41	2.29	-35.99
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575648	0	44	-1.0	-41.30	349.96	1.95	-39.35
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025575649	0	50	-1.0	-35.35	382.35	2.03	-33.32
CC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575650	0	56	-1.0	-37.97	426.73	3.83	-34.14
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575651	0	45	-1.0	-41.94	354.22	2.65	-39.29
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025575652	0	51	-1.0	-38.10	393.11	3.40	-34.70
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575653	0	47	-1.0	-44.09	375.20	2.70	-41.39
O=C(NCC1=NC(=O)O[N-]1)C1(SC2=CC=C(Br)C=C2)CC1	REAL300025575654	0	32	-1.0	-36.53	312.78	4.08	-32.45
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025575655	0	51	-1.0	-46.30	394.07	3.73	-42.57
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025575656	0	48	-1.0	-43.34	386.33	2.82	-40.52
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575657	0	42	-1.0	-42.36	341.97	-1.14	-43.50
CC(C)(C)OC(=O)N1CCC2(CCOC2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575658	0	52	-1.0	-44.87	390.79	1.63	-43.24
CC(C)(C)OC(=O)N1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]2CCCC[C@@H]21	REAL300025575659	0	51	-1.0	-40.65	381.29	3.84	-36.81
COC1=CC=C(C(C(=O)NCC2=NC(=O)O[N-]2)C2CCCCC2)C=C1	REAL300025575660	0	47	-1.0	-37.17	372.61	4.51	-32.66
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025575661	0	33	-1.0	-51.47	294.84	0.73	-50.74
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300025575662	0	34	-1.0	-35.99	291.64	2.83	-33.16
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN(CC2=CC=CC=C2)N=C1	REAL300025575663	0	45	-1.0	-39.27	384.11	3.52	-35.75
CC1=NN(C2=CC=CC=C2)C(C)=C1[C@@H]1OCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575664	0	48	-1.0	-40.61	392.89	4.18	-36.43
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1C1=CC=C(F)C=C1	REAL300025575665	0	42	-1.0	-38.00	353.11	2.96	-35.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300025575666	0	34	-1.0	-39.56	307.70	1.43	-38.13
CC1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN2C(C(F)F)=C1	REAL300025575667	0	32	-1.0	-53.65	301.42	1.38	-52.27
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=CC=C1	REAL300025575668	0	48	-1.0	-40.07	366.49	4.21	-35.86
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL300025575669	0	39	-1.0	-45.33	326.23	3.21	-42.12
CCC(C)C(=O)N1CSC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575670	0	38	-1.0	-44.53	316.11	2.35	-42.18
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1=CNC2=CC=CC=C12	REAL300025575671	0	40	-1.0	-53.19	346.16	2.96	-50.23
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300025575672	0	32	-1.0	-36.83	291.87	2.36	-34.47
CCCN1C(=O)CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H]1C1=CN=CN1C	REAL300025575673	0	47	-1.0	-39.95	372.56	3.62	-36.33
CC(C)(C)OC(=O)N1CC2(C1)SCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025575674	0	46	-1.0	-43.21	381.11	2.30	-40.91
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575675	0	48	-1.0	-41.16	396.27	5.11	-36.05
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C2CCCCN21	REAL300025575676	0	40	-1.0	-45.80	318.26	2.67	-43.13
O=C(NCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL300025575677	0	29	-1.0	-46.74	286.54	0.73	-46.01
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CSCN1C(=O)C1=CC=CC=C1	REAL300025575678	0	36	-1.0	-45.06	317.47	3.09	-41.97
COC1=CC=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)CO2	REAL300025575679	0	36	-1.0	-38.31	304.09	0.94	-37.37
CC(C)[C@@H]1C[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025575680	0	43	-1.0	-35.91	341.03	5.09	-30.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(Cl)=C2N1	REAL300025575681	0	28	-1.0	-35.52	292.62	2.08	-33.44
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC=C1Cl	REAL300025575682	0	31	-1.0	-35.09	289.58	2.06	-33.03
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300025575683	0	37	-1.0	-37.99	337.12	2.11	-35.88
CC1=CC=C(Br)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575684	0	27	-1.0	-39.67	271.23	2.08	-37.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL300025575685	0	33	-1.0	-35.94	310.03	3.36	-32.58
COCCOCCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575686	0	38	-1.0	-43.04	337.21	-1.04	-44.08
COCCOCCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575687	0	38	-1.0	-37.79	332.38	-1.09	-38.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300025575688	0	40	-1.0	-37.91	345.41	6.29	-31.62
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL300025575689	0	30	-1.0	-42.32	287.69	0.81	-41.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300025575690	0	30	-1.0	-38.46	285.28	2.83	-35.63
COC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575691	0	44	-1.0	-40.06	386.50	2.25	-37.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL300025575692	0	30	-1.0	-38.90	283.60	1.82	-37.08
O=C(NCC1=NC(=O)O[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL300025575693	0	46	-1.0	-35.80	363.75	6.08	-29.72
CC(C(=O)NCC1=NC(=O)O[N-]1)C(C)C1=CC=CC=C1Cl	REAL300025575694	0	36	-1.0	-37.41	308.22	3.80	-33.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300025575695	0	28	-1.0	-34.67	273.32	0.92	-33.75
CN(C)C1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2O1	REAL300025575696	0	34	-1.0	-40.00	300.87	-0.48	-40.48
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025575697	0	27	-1.0	-36.48	266.35	1.88	-34.60
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025575697	1	26	-2.0	-102.11	265.02	0.07	-102.04
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL300025575698	0	41	-1.0	-40.71	356.89	0.54	-40.17
CC1=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL300025575699	0	27	-1.0	-42.50	264.62	-0.09	-42.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL300025575700	0	27	-1.0	-36.29	266.92	2.11	-34.18
CC(=O)NCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025575701	0	43	-1.0	-43.97	329.39	0.83	-43.14
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Br	REAL300025575702	0	21	-1.0	-35.35	250.52	1.27	-34.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1F	REAL300025575703	0	23	-1.0	-36.11	241.72	-0.15	-36.26
CC1=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=NN1C	REAL300025575704	0	27	-1.0	-41.95	270.11	0.37	-41.58
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=C(Br)C=CC2=NS1	REAL300025575705	0	26	-1.0	-35.80	273.21	1.58	-34.22
O=C(NCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300025575706	0	30	-1.0	-38.85	282.96	-0.91	-39.76
CS(C)(=O)=NC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025575707	0	30	-1.0	-58.84	291.60	-2.66	-61.50
O=C(NCC1=NC(=O)O[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025575708	0	39	-1.0	-45.82	346.56	2.26	-43.56
CC(C)CC(=O)N1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575709	0	43	-1.0	-46.47	336.18	3.34	-43.13
O=C(NCC1=NC(=O)O[N-]1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300025575710	0	33	-1.0	-45.94	285.92	-2.16	-48.10
O=C(NCC1=NC(=O)O[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL300025575711	0	41	-1.0	-36.68	318.55	5.08	-31.60
O=C(CC1=CC(O)=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025575712	0	28	-1.0	-38.58	278.07	-0.51	-39.09
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575713	0	45	-1.0	-42.44	370.99	1.56	-40.88
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1Br	REAL300025575714	0	31	-1.0	-42.71	301.68	2.83	-39.88
O=C(CN1CC(C(F)(F)F)CCC1=O)NCC1=NC(=O)O[N-]1	REAL300025575715	0	34	-1.0	-43.15	303.58	0.91	-42.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)S1	REAL300025575716	0	24	-1.0	-34.57	272.06	2.27	-32.30
CN1C(=O)C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C21	REAL300025575717	0	33	-1.0	-40.77	305.25	2.44	-38.33
CC(C)N1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025575718	0	30	-1.0	-36.83	291.05	1.08	-35.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCNC(=O)C2=C1	REAL300025575719	0	33	-1.0	-41.28	309.89	-1.06	-42.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(SC(Br)=C2)S1	REAL300025575720	0	24	-1.0	-34.73	272.27	2.26	-32.47
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300025575721	0	31	-1.0	-40.47	295.10	3.48	-36.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL300025575722	0	36	-1.0	-42.09	321.39	-0.98	-43.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300025575723	0	36	-1.0	-40.04	325.40	-0.45	-40.49
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575724	0	38	-1.0	-47.10	338.09	-0.77	-47.87
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025575725	0	40	-1.0	-49.48	321.87	1.58	-47.90
CC1=CC(F)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575726	0	27	-1.0	-34.67	264.16	2.39	-32.28
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL300025575727	0	47	-1.0	-42.19	396.76	3.19	-39.00
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)[C@H](C2CC2)C1	REAL300025575728	0	48	-1.0	-36.97	381.17	3.10	-33.87
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC[C@H]1C1CCC1	REAL300025575729	0	54	-1.0	-36.31	401.59	3.98	-32.33
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCC1=NC(=O)O[N-]1)CCC2	REAL300025575730	0	48	-1.0	-44.80	366.72	3.79	-41.01
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025575731	0	55	-1.0	-50.95	427.58	3.91	-47.04
CC1=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=NN1C	REAL300025575732	0	47	-1.0	-38.67	387.41	0.02	-38.65
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575733	0	48	-1.0	-39.28	380.91	2.05	-37.23
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575734	0	45	-1.0	-35.62	358.77	5.34	-30.28
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300025575735	0	34	-1.0	-41.12	316.48	2.56	-38.56
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025575736	0	30	-1.0	-36.43	303.79	1.09	-35.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCCCCC2=C1	REAL300025575737	0	35	-1.0	-36.41	300.72	3.84	-32.57
COC(=O)CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575738	0	36	-1.0	-39.90	319.47	3.30	-36.60
CC(C)=CCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025575739	0	37	-1.0	-35.02	321.26	4.50	-30.52
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2CC(F)(F)F)S1	REAL300025575740	0	34	-1.0	-38.34	324.49	3.78	-34.56
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCOCC1	REAL300025575741	0	35	-1.0	-35.65	286.73	-0.26	-35.91
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300025575742	0	35	-1.0	-37.91	315.34	4.10	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300025575743	0	34	-1.0	-37.21	311.95	4.98	-32.23
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575744	0	48	-1.0	-40.70	385.55	5.41	-35.29
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CO1	REAL300025575745	0	41	-1.0	-40.55	349.29	-0.39	-40.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)N1	REAL300025575746	0	25	-1.0	-34.15	266.65	0.77	-33.38
CC1=C(Cl)C=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575747	0	27	-1.0	-33.27	278.80	3.25	-30.02
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300025575748	0	38	-1.0	-37.33	312.34	4.50	-32.83
CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025575749	0	30	-1.0	-36.76	281.17	2.95	-33.81
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575750	0	51	-1.0	-39.56	400.04	3.64	-35.92
CCCC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025575751	0	30	-1.0	-34.72	297.39	2.95	-31.77
CSC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025575752	0	28	-1.0	-35.84	280.42	2.60	-33.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CS2	REAL300025575753	0	25	-1.0	-35.89	266.44	0.66	-35.23
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL300025575754	0	34	-1.0	-39.31	305.93	1.19	-38.12
CCN1C=C(OC2=CN=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)C=N1	REAL300025575755	0	36	-1.0	-41.52	323.37	-0.97	-42.49
COC1=CC=CC=C1N1C=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575756	0	35	-1.0	-44.74	313.83	2.84	-41.90
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL300025575757	0	36	-1.0	-36.26	306.77	-0.24	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300025575758	0	39	-1.0	-42.69	339.27	2.73	-39.96
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Br)=C1C	REAL300025575759	0	30	-1.0	-37.01	277.53	2.77	-34.24
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025575760	0	28	-1.0	-35.58	277.06	2.32	-33.26
CC(C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025575761	0	43	-1.0	-43.16	357.89	4.42	-38.74
CC1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025575762	0	42	-1.0	-36.64	334.68	2.91	-33.73
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575763	0	34	-1.0	-35.95	317.26	1.80	-34.15
O=C(NCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300025575764	0	30	-1.0	-39.59	287.73	-0.43	-40.02
O=C(CN1C=NC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025575765	0	24	-1.0	-40.65	248.31	1.29	-39.36
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCCCC2=C1I	REAL300025575766	0	31	-1.0	-41.54	293.38	1.54	-40.00
CCS(=O)(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575767	0	35	-1.0	-43.16	316.00	-1.35	-44.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2S1	REAL300025575768	0	27	-1.0	-38.19	280.27	3.02	-35.17
CC(C)(C)OC(=O)NC(CC1=CC=CC(F)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575769	0	47	-1.0	-35.81	378.27	1.88	-33.93
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025575770	0	53	-1.0	-40.27	402.85	3.05	-37.22
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025575771	0	51	-1.0	-40.51	401.14	3.16	-37.35
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300025575772	0	30	-1.0	-37.59	290.01	1.78	-35.81
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025575773	0	47	-1.0	-37.23	366.08	2.83	-34.40
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575774	0	50	-1.0	-40.62	386.80	2.31	-38.31
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575775	0	48	-1.0	-39.54	384.35	3.18	-36.36
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CCC1C1CCC1	REAL300025575776	0	54	-1.0	-40.17	396.03	4.16	-36.01
CC(C)(C)OC(=O)N1CCCC(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575777	0	47	-1.0	-40.18	376.81	2.77	-37.41
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575778	0	42	-1.0	-39.23	350.73	2.01	-37.22
COC1=CC=C([C@H](C)NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575779	0	51	-1.0	-46.27	413.81	2.94	-43.33
CC(C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025575780	0	56	-1.0	-38.51	411.28	4.30	-34.21
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC(F)(F)C1	REAL300025575781	0	44	-1.0	-35.70	362.13	0.80	-34.90
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025575782	0	52	-1.0	-47.15	418.86	2.73	-44.42
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025575783	0	55	-1.0	-40.07	426.22	3.57	-36.50
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575784	0	45	-1.0	-40.38	366.96	-0.97	-41.35
CC(C)(C)OC(=O)N1CCC2(CCOCC2)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575785	0	55	-1.0	-44.09	400.36	2.22	-41.87
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575786	0	51	-1.0	-41.68	392.44	3.57	-38.11
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCC1=NC(=O)O[N-]1)CCCCC2	REAL300025575787	0	54	-1.0	-42.69	411.76	4.11	-38.58
CC1=NN(C)C=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575788	0	47	-1.0	-41.15	384.59	0.68	-40.47
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=C(C(F)F)C=C(C3=CC=CC=C3)N2N=C1	REAL300025575789	0	39	-1.0	-46.36	360.54	4.42	-41.94
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1	REAL300025575790	0	40	-1.0	-38.90	340.79	4.41	-34.49
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2	REAL300025575791	0	41	-1.0	-37.50	350.52	5.50	-32.00
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575792	0	47	-1.0	-41.64	389.74	0.36	-41.28
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(Cl)C=C2N1	REAL300025575793	0	28	-1.0	-33.92	292.59	2.09	-31.83
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025575794	0	31	-1.0	-35.28	292.39	2.13	-33.15
N#CCCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575795	0	38	-1.0	-44.20	339.46	3.27	-40.93
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025575796	0	38	-1.0	-49.72	338.53	0.86	-48.86
C[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025575797	0	47	-1.0	-42.48	355.62	2.96	-39.52
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CCSC1	REAL300025575798	0	45	-1.0	-37.25	363.80	1.43	-35.82
CC(C)(C)OC(=O)NCC1=C(Cl)SC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575799	0	41	-1.0	-37.02	377.28	1.04	-35.98
C[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025575800	0	47	-1.0	-37.00	370.77	2.51	-34.49
CC(C)(C)OC(=O)NCCSCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575801	0	41	-1.0	-41.56	356.78	-0.14	-41.70
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300025575802	0	34	-1.0	-36.92	301.34	4.25	-32.67
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300025575803	0	34	-1.0	-37.95	291.02	3.81	-34.14
O=C(CC1(N2C=NN=N2)CCSCC1)NCC1=NC(=O)O[N-]1	REAL300025575804	0	36	-1.0	-39.51	299.76	1.22	-38.29
COC1=NC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025575805	0	27	-1.0	-36.69	264.11	-1.57	-38.26
CC(C)CC1=NN=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CC=CN12	REAL300025575806	0	38	-1.0	-57.11	324.72	4.32	-52.79
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL300025575807	0	26	-1.0	-41.92	270.80	-0.10	-42.02
CC(C)(C)OC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C12CCC2	REAL300025575808	0	47	-1.0	-37.91	367.38	3.59	-34.32
O=C(CC1CSC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025575809	0	36	-1.0	-43.69	314.64	2.94	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL300025575810	0	34	-1.0	-37.76	308.36	3.95	-33.81
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=NC(C3CC3)=NS2)C=N1	REAL300025575811	0	33	-1.0	-40.02	318.06	3.56	-36.46
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025575812	0	36	-1.0	-35.92	319.32	3.97	-31.95
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025575813	0	36	-1.0	-38.55	306.62	1.62	-36.93
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025575814	0	44	-1.0	-40.47	353.65	1.81	-38.66
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1CC1	REAL300025575815	0	44	-1.0	-40.54	356.58	1.09	-39.45
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575816	0	44	-1.0	-38.40	356.37	1.79	-36.61
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025575817	0	54	-1.0	-43.28	410.58	3.80	-39.48
CC1=C(Br)C=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575818	0	27	-1.0	-39.16	268.36	0.20	-38.96
O=C(CSC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025575819	0	28	-1.0	-38.17	283.47	2.75	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025575820	0	30	-1.0	-52.86	301.97	2.13	-50.73
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025575820	1	29	-2.0	-82.07	298.74	1.69	-80.38
O=C(CC1COCCN1CC(F)(F)F)NCC1=NC(=O)O[N-]1	REAL300025575821	0	36	-1.0	-36.67	302.89	-2.02	-38.69
C=C(F)C1(CC(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025575822	0	45	-1.0	-42.81	370.61	2.18	-40.63
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1	REAL300025575823	0	48	-1.0	-40.11	387.04	4.24	-35.87
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025575824	0	50	-1.0	-38.11	385.58	2.94	-35.17
C[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025575825	0	47	-1.0	-41.42	358.81	2.62	-38.80
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025575826	0	44	-1.0	-38.42	378.42	5.82	-32.60
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025575827	0	44	-1.0	-36.48	385.76	2.60	-33.88
C=CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025575828	0	51	-1.0	-37.90	385.22	3.17	-34.73
CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575829	0	51	-1.0	-42.60	397.92	3.64	-38.96
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575830	0	51	-1.0	-44.03	386.89	3.33	-40.70
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575831	0	43	-1.0	-40.19	367.38	2.82	-37.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL300025575832	0	34	-1.0	-40.97	321.97	3.21	-37.76
CC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025575833	0	27	-1.0	-34.24	274.58	2.66	-31.58
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575834	0	51	-1.0	-43.36	389.16	4.11	-39.25
CC(C)(C)OC(=O)NCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC=C1	REAL300025575835	0	41	-1.0	-41.78	350.27	-0.53	-42.31
CC1CCC(C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025575836	0	47	-1.0	-43.27	365.93	3.10	-40.17
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300025575837	0	29	-1.0	-39.39	284.95	1.49	-37.90
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575838	0	51	-1.0	-38.32	408.25	3.89	-34.43
COC1C(F)CCC(C(=O)NCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025575839	0	48	-1.0	-41.55	383.54	1.55	-40.00
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC2CCC1C2	REAL300025575840	0	51	-1.0	-36.76	380.87	2.67	-34.09
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575841	0	46	-1.0	-34.46	350.38	0.65	-33.81
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025575842	0	30	-1.0	-38.99	286.45	1.49	-37.50
CCC1=NC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025575843	0	38	-1.0	-37.17	318.36	1.97	-35.20
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575844	0	43	-1.0	-39.39	364.63	-0.33	-39.72
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575845	0	44	-1.0	-47.06	357.58	1.88	-45.18
C=CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025575846	0	54	-1.0	-43.92	401.21	5.65	-38.27
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575847	0	48	-1.0	-42.97	382.60	3.15	-39.82
CC1=CC(C)=CC(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575848	0	50	-1.0	-37.81	411.85	3.40	-34.41
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC=C1	REAL300025575849	0	51	-1.0	-44.86	409.56	4.26	-40.60
CC1=CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025575850	0	37	-1.0	-41.16	326.78	3.38	-37.78
O=C(CCC1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025575851	0	27	-1.0	-35.42	279.05	2.35	-33.07
CN1N=CC2=C1CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025575852	0	48	-1.0	-49.67	385.44	2.26	-47.41
C[C@@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025575853	0	47	-1.0	-39.04	366.45	2.65	-36.39
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575854	0	51	-1.0	-39.53	404.97	2.53	-37.00
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C(F)F)C1	REAL300025575855	0	44	-1.0	-43.32	368.86	0.81	-42.51
CN1C=CC(C23CC(CC2)C3C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025575856	0	38	-1.0	-41.54	315.96	2.27	-39.27
COC1=CC=C(Br)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575857	0	28	-1.0	-42.26	280.91	0.89	-41.37
CC1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2CC2CC2)S1	REAL300025575858	0	38	-1.0	-38.65	338.38	4.92	-33.73
COC1=CC=C2CC(C(=O)NCC3=NC(=O)O[N-]3)N(C(=O)OC(C)(C)C)C2=N1	REAL300025575859	0	48	-1.0	-46.35	398.17	1.97	-44.38
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575860	0	48	-1.0	-36.93	373.19	-0.83	-37.76
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575861	0	30	-1.0	-38.80	284.28	0.88	-37.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300025575862	0	31	-1.0	-38.36	302.64	2.97	-35.39
CC1(C)CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025575863	0	39	-1.0	-36.36	327.46	3.05	-33.31
O=C(CC(C1=CC=CC=C1F)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025575864	0	33	-1.0	-37.16	294.59	3.11	-34.05
CCOC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=NC=C1	REAL300025575865	0	33	-1.0	-41.60	306.46	0.82	-40.78
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575866	0	39	-1.0	-36.17	323.26	0.40	-35.77
CC(C)(C)OC(=O)N1CCC(N2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=N2)CC1	REAL300025575867	0	51	-1.0	-44.37	411.24	2.74	-41.63
COC(=O)CC[C@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575868	0	49	-1.0	-42.61	400.53	1.30	-41.31
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575869	0	45	-1.0	-44.26	363.63	2.73	-41.53
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025575870	0	49	-1.0	-42.58	393.92	3.82	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL300025575871	0	34	-1.0	-38.70	294.29	1.89	-36.81
CC(C)(C)OC(=O)N1CCC2(C(=O)NCC3=NC(=O)O[N-]3)CCCCCC12	REAL300025575872	0	54	-1.0	-41.28	387.49	4.19	-37.09
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCCC1	REAL300025575873	0	50	-1.0	-41.51	372.65	2.72	-38.79
CC(C)(C)OC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575874	0	51	-1.0	-41.33	418.90	2.22	-39.11
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575875	0	50	-1.0	-39.35	392.31	1.83	-37.52
CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575876	0	51	-1.0	-41.32	418.89	2.21	-39.11
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)C1	REAL300025575877	0	48	-1.0	-43.53	389.58	3.25	-40.28
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575878	0	53	-1.0	-38.23	395.36	3.48	-34.75
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300025575879	0	35	-1.0	-38.78	299.59	3.72	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300025575880	0	30	-1.0	-47.99	282.42	-5.85	-53.84
CC1=CC(C)=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025575881	0	53	-1.0	-37.13	419.21	4.45	-32.68
CC(C)(C)OC(=O)NCC1(C2=NOC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575882	0	47	-1.0	-39.68	395.72	0.88	-38.80
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575883	0	48	-1.0	-41.88	371.46	3.58	-38.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL300025575884	0	25	-1.0	-34.79	257.01	-0.23	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL300025575885	0	34	-1.0	-40.23	307.71	0.83	-39.40
CC1=C(Cl)C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575886	0	27	-1.0	-33.50	272.31	2.77	-30.73
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025575887	0	33	-1.0	-39.71	310.34	2.21	-37.50
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025575888	0	30	-1.0	-39.82	290.07	1.62	-38.20
CC1(C)CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025575889	0	39	-1.0	-36.36	327.46	3.05	-33.31
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300025575890	0	38	-1.0	-41.74	322.26	3.24	-38.50
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025575891	0	42	-1.0	-36.52	333.59	3.38	-33.14
COC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025575892	0	44	-1.0	-39.14	357.55	3.04	-36.10
O=C(NCC1=NC(=O)O[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL300025575893	0	30	-1.0	-40.98	273.29	1.15	-39.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025575894	0	33	-1.0	-40.26	327.76	3.76	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300025575895	0	27	-1.0	-43.50	268.21	1.36	-42.14
COC(=O)C1=CC2=C(SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)S1	REAL300025575896	0	30	-1.0	-36.93	306.28	2.27	-34.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300025575897	0	33	-1.0	-42.34	311.07	1.53	-40.81
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1I	REAL300025575898	0	28	-1.0	-35.12	277.27	1.49	-33.63
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575899	0	37	-1.0	-37.63	321.33	4.39	-33.24
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025575900	0	33	-1.0	-36.88	312.88	3.52	-33.36
COC1=CC=C(C(CC(=O)NCC2=NC(=O)O[N-]2)C(F)F)C=C1	REAL300025575901	0	37	-1.0	-37.74	319.45	2.35	-35.39
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300025575902	0	33	-1.0	-40.25	313.51	2.65	-37.60
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300025575903	0	38	-1.0	-40.16	323.74	1.32	-38.84
CC(C)(C)OC(=O)NC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025575904	0	41	-1.0	-46.46	347.64	-0.70	-47.16
CC1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025575905	0	27	-1.0	-36.09	266.81	2.72	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Br)C=N2)C=C1	REAL300025575906	0	34	-1.0	-37.61	329.04	2.03	-35.58
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575907	0	45	-1.0	-43.97	370.87	1.59	-42.38
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575908	0	44	-1.0	-37.48	354.80	0.45	-37.03
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575909	0	44	-1.0	-35.96	367.26	1.08	-34.88
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575910	0	47	-1.0	-39.91	381.42	1.36	-38.55
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575911	0	58	-1.0	-40.51	462.74	3.97	-36.54
CC(C)(C)OC(=O)NCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575912	0	44	-1.0	-39.39	367.70	-1.36	-40.75
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300025575913	0	33	-2.0	-91.27	307.10	1.11	-90.16
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300025575913	1	33	-2.0	-89.00	307.18	1.16	-87.84
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300025575914	0	35	-1.0	-34.64	318.51	1.45	-33.19
COC(=O)C1=CC(OC)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025575915	0	34	-1.0	-40.62	313.62	1.40	-39.22
COC(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025575916	0	33	-1.0	-40.90	299.83	2.00	-38.90
CS(=O)(=O)N1CCC(OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575917	0	39	-1.0	-44.15	337.05	-1.84	-45.99
N#CC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575918	0	35	-1.0	-43.84	318.99	4.77	-39.07
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Br	REAL300025575919	0	27	-1.0	-46.02	285.26	0.80	-45.22
O=C(CCC1=CSC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025575920	0	27	-1.0	-35.46	278.81	2.19	-33.27
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300025575921	0	41	-1.0	-41.63	351.28	4.54	-37.09
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl	REAL300025575922	0	31	-1.0	-37.47	309.20	4.11	-33.36
CCOC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025575923	0	38	-1.0	-37.10	323.88	1.88	-35.22
CCC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025575924	0	37	-1.0	-36.57	315.34	3.11	-33.46
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(C)=CC(C)=C21	REAL300025575925	0	37	-1.0	-37.34	308.18	2.78	-34.56
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300025575926	0	40	-1.0	-36.42	332.52	3.58	-32.84
CC1=CC(CC2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CC=C1F	REAL300025575927	0	37	-1.0	-38.94	325.80	4.38	-34.56
CC1=CC(F)=CC=C1CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575928	0	37	-1.0	-42.21	311.41	4.77	-37.44
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300025575929	0	37	-1.0	-38.36	305.81	3.92	-34.44
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025575930	0	49	-1.0	-38.82	381.13	3.77	-35.05
COC(=O)C1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025575931	0	33	-1.0	-44.15	311.07	2.98	-41.17
COC(=O)C1=NC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575932	0	35	-1.0	-43.20	308.84	1.14	-42.06
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575933	0	44	-1.0	-50.52	364.31	-1.43	-51.95
CN1C=C2C(=N1)CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025575934	0	48	-1.0	-46.00	386.73	2.36	-43.64
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCC1=NC(=O)O[N-]1)CCOCC2	REAL300025575935	0	52	-1.0	-42.99	403.25	1.75	-41.24
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C(C)(C)O2	REAL300025575936	0	52	-1.0	-37.51	409.53	0.10	-37.41
CC12CC3(C)CC(O)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C2)C3	REAL300025575937	0	45	-1.0	-37.06	337.01	0.62	-36.44
CC(C)(C)OC(=O)NOC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575938	0	48	-1.0	-41.75	400.17	4.34	-37.41
CC(C)(C)OC(=O)NCC1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575939	0	44	-1.0	-39.12	359.39	0.40	-38.72
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025575940	0	46	-1.0	-41.66	372.89	2.55	-39.11
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300025575941	0	30	-1.0	-41.81	284.32	2.18	-39.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=CC=CN=C12	REAL300025575942	0	29	-1.0	-41.04	278.65	2.37	-38.67
CSC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025575943	0	31	-1.0	-36.13	302.23	3.23	-32.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300025575944	0	30	-1.0	-42.60	284.65	1.10	-41.50
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025575945	0	37	-1.0	-36.11	326.58	2.74	-33.37
O=C(CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025575946	0	45	-1.0	-42.29	388.85	5.05	-37.24
O=C(NCC1=NC(=O)O[N-]1)C1COC2=C(Br)C=CC=C2C1	REAL300025575947	0	32	-1.0	-36.76	295.90	2.27	-34.49
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1F	REAL300025575948	0	33	-1.0	-39.88	302.76	1.24	-38.64
CCCN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025575949	0	44	-1.0	-39.95	363.89	4.07	-35.88
COC1=CC=C(F)C=C1CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575950	0	38	-1.0	-40.81	332.57	3.04	-37.77
O=C(NCC1=NC(=O)O[N-]1)C12CC(F)(F)CC1CCCC2	REAL300025575951	0	37	-1.0	-36.27	289.52	3.06	-33.21
CC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025575952	0	33	-1.0	-38.15	301.26	2.71	-35.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300025575953	0	30	-1.0	-36.55	296.52	2.56	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300025575954	0	30	-1.0	-40.20	292.20	2.72	-37.48
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025575955	0	44	-1.0	-39.33	355.60	0.40	-38.93
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(C(F)F)CC1	REAL300025575956	0	50	-1.0	-44.08	394.30	2.57	-41.51
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C1(CCC1)O2	REAL300025575957	0	53	-1.0	-37.35	419.94	0.86	-36.49
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025575958	0	49	-1.0	-37.99	395.93	-0.42	-38.41
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(Cl)=C1	REAL300025575959	0	38	-1.0	-34.91	345.67	1.11	-33.80
COC(=O)[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575960	0	43	-1.0	-42.64	365.51	0.06	-42.58
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025575961	0	51	-1.0	-38.48	394.43	4.70	-33.78
CC(C)(C)OC(=O)N1CC2(CC1CC(=O)NCC1=NC(=O)O[N-]1)CCOCC2	REAL300025575962	0	55	-1.0	-39.96	420.67	2.23	-37.73
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC12CC2	REAL300025575963	0	51	-1.0	-38.07	394.87	3.66	-34.41
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025575964	0	45	-1.0	-40.72	377.07	1.23	-39.49
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300025575965	0	34	-1.0	-35.07	311.44	2.67	-32.40
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL300025575966	0	38	-1.0	-40.62	325.33	3.75	-36.87
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300025575967	0	38	-1.0	-37.00	328.04	5.15	-31.85
N#CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025575968	0	31	-1.0	-38.47	305.14	3.38	-35.09
O=C(NCC1=NC(=O)O[N-]1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300025575969	0	33	-1.0	-35.75	297.94	3.15	-32.60
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=C1Br	REAL300025575970	0	24	-1.0	-36.95	263.18	1.24	-35.71
C=CCNC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575971	0	35	-1.0	-38.69	311.84	0.74	-37.95
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300025575972	0	33	-1.0	-40.07	301.87	2.93	-37.14
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025575973	0	33	-1.0	-36.02	300.57	2.34	-33.68
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(Cl)=CC=C21	REAL300025575974	0	31	-1.0	-35.58	289.21	2.16	-33.42
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C21	REAL300025575975	0	51	-1.0	-37.24	401.66	3.43	-33.81
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCC2	REAL300025575976	0	48	-1.0	-39.28	392.64	1.68	-37.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1F	REAL300025575977	0	24	-1.0	-35.31	253.26	1.81	-33.50
CC(C)(C)OC(=O)NCC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575978	0	51	-1.0	-40.20	421.56	3.52	-36.68
CC(C)(C)OC(=O)NCC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575979	0	51	-1.0	-39.90	421.56	3.52	-36.38
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575980	0	50	-1.0	-35.62	397.21	2.77	-32.85
C[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025575981	0	47	-1.0	-44.00	359.16	3.15	-40.85
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300025575982	0	53	-1.0	-44.85	424.93	1.75	-43.10
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025575983	0	53	-1.0	-41.59	415.68	4.49	-37.10
COC(=O)[C@@]12CC[C@]1(C(=O)NCC1=NC(=O)O[N-]1)CN(C(=O)OC(C)(C)C)C2	REAL300025575984	0	51	-1.0	-45.08	412.88	2.57	-42.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL300025575985	0	27	-1.0	-39.78	260.42	1.89	-37.89
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025575986	0	51	-1.0	-42.93	411.04	2.90	-40.03
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575987	0	48	-1.0	-38.64	373.35	1.69	-36.95
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575988	0	48	-1.0	-46.27	368.34	3.97	-42.30
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCO1	REAL300025575989	0	48	-1.0	-36.78	373.60	0.14	-36.64
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025575990	0	48	-1.0	-45.66	377.32	2.79	-42.87
CCC(CCC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025575991	0	46	-1.0	-38.09	367.34	0.92	-37.17
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025575992	0	37	-1.0	-38.18	318.52	5.18	-33.00
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025575993	0	50	-1.0	-41.33	408.02	3.09	-38.24
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025575994	0	44	-1.0	-41.18	363.29	0.87	-40.31
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025575995	0	47	-1.0	-52.10	382.66	-0.46	-52.56
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025575996	0	37	-1.0	-39.57	311.34	5.15	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C(Br)C=CC=C12	REAL300025575997	0	27	-1.0	-37.61	271.12	2.00	-35.61
COC1=CC(OC)=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575998	0	32	-1.0	-40.63	291.85	0.21	-40.42
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300025575999	0	34	-1.0	-39.69	318.09	4.32	-35.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300025576000	0	36	-1.0	-41.50	321.18	3.76	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300025576001	0	34	-1.0	-39.12	309.67	3.87	-35.25
CC1=CC(C)=NC(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=N1	REAL300025576002	0	43	-1.0	-40.55	352.81	3.05	-37.50
COC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025576003	0	35	-1.0	-37.28	302.02	0.95	-36.33
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CSC=C1Br	REAL300025576004	0	23	-1.0	-37.94	250.64	0.45	-37.49
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025576005	0	33	-1.0	-35.70	295.96	3.16	-32.54
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300025576006	0	34	-1.0	-41.65	300.41	0.58	-41.07
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Cl	REAL300025576007	0	21	-1.0	-35.61	246.86	1.18	-34.43
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL300025576008	0	34	-1.0	-36.13	278.19	2.36	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL300025576009	0	30	-1.0	-38.23	271.84	2.74	-35.49
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300025576010	0	38	-1.0	-38.78	328.16	5.15	-33.63
CCN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025576011	0	43	-1.0	-39.74	349.94	2.00	-37.74
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC2CC21	REAL300025576012	0	48	-1.0	-42.11	372.73	2.19	-39.92
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576013	0	30	-1.0	-34.63	275.73	2.29	-32.34
O=C(NCC1=NC(=O)O[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL300025576014	0	37	-1.0	-39.54	313.49	-1.54	-41.08
COC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025576015	0	28	-1.0	-38.02	275.46	1.10	-36.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1F	REAL300025576016	0	24	-1.0	-37.94	252.58	2.19	-35.75
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025576017	0	38	-1.0	-41.04	321.55	5.05	-35.99
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300025576018	0	40	-1.0	-35.73	358.29	6.33	-29.40
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300025576019	0	46	-1.0	-36.37	355.50	6.38	-29.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1	REAL300025576020	0	41	-1.0	-42.21	368.90	6.58	-35.63
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL300025576021	0	40	-1.0	-37.41	309.50	4.32	-33.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300025576022	0	30	-1.0	-37.29	280.83	2.73	-34.56
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025576023	0	37	-1.0	-35.77	326.56	2.75	-33.02
COC(=O)C1=CSC2=C1NC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025576024	0	31	-1.0	-43.00	301.12	0.69	-42.31
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2)S1	REAL300025576025	0	31	-1.0	-36.98	301.36	0.84	-36.14
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576026	0	47	-1.0	-40.03	393.65	2.19	-37.84
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576027	0	51	-1.0	-39.19	401.04	4.58	-34.61
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576028	0	47	-1.0	-38.05	372.55	1.10	-36.95
CC(C)(C)OC(=O)NCCC(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576029	0	40	-1.0	-39.31	340.02	-0.69	-40.00
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576030	0	38	-1.0	-39.48	319.47	4.56	-34.92
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576031	0	38	-1.0	-39.47	319.59	4.57	-34.90
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576032	0	38	-1.0	-38.91	341.32	2.73	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300025576033	0	37	-1.0	-39.45	327.11	0.24	-39.21
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025576034	0	33	-1.0	-35.79	295.88	3.16	-32.63
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300025576035	0	38	-1.0	-38.85	323.60	5.05	-33.80
CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025576036	0	27	-1.0	-36.41	273.09	2.75	-33.66
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)NCC1=NC(=O)O[N-]1	REAL300025576037	0	44	-1.0	-38.97	392.09	6.44	-32.53
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576038	0	37	-1.0	-36.21	317.82	3.72	-32.49
COC1=CC=CC=C1N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576039	0	35	-1.0	-41.73	307.17	1.62	-40.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300025576040	0	33	-1.0	-40.39	303.27	2.73	-37.66
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL300025576041	0	37	-1.0	-35.56	289.13	2.99	-32.57
CC1=CC=C(C2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576042	0	43	-1.0	-37.36	331.53	5.01	-32.35
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576043	0	49	-1.0	-37.74	391.26	5.28	-32.46
O=C(CCCN1CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025576044	0	38	-1.0	-47.60	332.08	2.72	-44.88
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576045	0	36	-1.0	-45.12	328.64	4.23	-40.89
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576046	0	44	-1.0	-36.15	356.40	-1.53	-37.68
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025576047	0	47	-1.0	-37.82	381.24	-0.17	-37.99
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025576048	0	51	-1.0	-40.81	399.82	2.86	-37.95
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300025576049	0	47	-1.0	-38.52	372.69	2.35	-36.17
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300025576050	0	34	-1.0	-40.98	322.53	3.24	-37.74
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576051	0	46	-1.0	-37.57	367.54	5.27	-32.30
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576052	0	34	-1.0	-36.69	308.10	3.45	-33.24
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025576053	0	54	-1.0	-38.14	407.11	2.98	-35.16
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025576054	0	49	-1.0	-34.05	380.82	3.18	-30.87
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025576055	0	54	-1.0	-42.57	403.29	4.29	-38.28
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C2C1	REAL300025576056	0	32	-1.0	-34.72	297.04	2.19	-32.53
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025576057	0	37	-1.0	-42.81	317.84	-2.66	-45.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300025576058	0	30	-1.0	-37.15	279.32	3.82	-33.33
O=C(CC1CCC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025576059	0	34	-1.0	-37.06	304.51	4.12	-32.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300025576060	0	33	-1.0	-37.63	296.90	2.75	-34.88
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576061	0	47	-1.0	-37.00	389.09	6.57	-30.43
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300025576062	0	22	-1.0	-35.64	257.34	-0.63	-36.27
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576063	0	47	-1.0	-43.17	375.56	2.46	-40.71
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576064	0	47	-1.0	-43.20	375.52	2.45	-40.75
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(C1)CCOCC2	REAL300025576065	0	52	-1.0	-42.67	401.73	-0.13	-42.80
COC(=O)C1=COC2=C1NC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025576066	0	31	-1.0	-43.39	292.51	-0.17	-43.56
COC(=O)C1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025576067	0	37	-1.0	-38.79	330.28	2.26	-36.53
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL300025576068	0	45	-1.0	-39.69	362.35	-0.64	-40.33
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025576069	0	52	-1.0	-38.19	407.24	4.31	-33.88
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC=CC1	REAL300025576070	0	42	-1.0	-41.23	341.12	0.44	-40.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300025576071	0	37	-1.0	-42.34	326.33	3.61	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)C=C1	REAL300025576072	0	31	-1.0	-37.43	286.09	3.47	-33.96
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=NO2	REAL300025576073	0	44	-1.0	-44.68	365.08	1.71	-42.97
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576074	0	49	-1.0	-38.81	382.24	1.22	-37.59
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576075	0	44	-1.0	-37.93	387.46	7.23	-30.70
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CN=C2C1	REAL300025576076	0	30	-1.0	-36.35	284.27	1.61	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300025576077	0	37	-1.0	-39.26	346.99	2.41	-36.85
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025576078	0	50	-1.0	-37.36	391.91	2.87	-34.49
O=C(CCCCC1CSSC1)NCC1=NC(=O)O[N-]1	REAL300025576079	0	35	-1.0	-39.30	313.59	4.22	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300025576080	0	29	-1.0	-37.11	272.34	1.95	-35.16
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576081	0	50	-1.0	-37.87	375.45	3.48	-34.39
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576082	0	51	-1.0	-43.17	389.00	4.17	-39.00
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025576083	0	47	-1.0	-36.22	367.34	1.53	-34.69
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300025576084	0	40	-1.0	-36.25	348.11	5.88	-30.37
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576085	0	40	-1.0	-36.21	344.70	4.81	-31.40
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025576086	0	40	-1.0	-35.85	358.43	6.33	-29.52
O=C(CC1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025576087	0	24	-1.0	-36.04	257.45	1.46	-34.58
COC1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)COC1	REAL300025576088	0	36	-1.0	-39.74	301.63	0.35	-39.39
O=C(CC1=C(Br)SC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025576089	0	24	-1.0	-35.39	277.35	2.07	-33.32
COCCN1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025576090	0	38	-1.0	-41.67	328.18	2.73	-38.94
CC(C)N1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025576091	0	37	-1.0	-42.04	312.59	4.15	-37.89
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC(C)(C)C1	REAL300025576092	0	50	-1.0	-35.18	389.17	1.72	-33.46
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC2(CCC2)C1	REAL300025576093	0	51	-1.0	-35.26	397.71	2.47	-32.79
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025576094	0	51	-1.0	-38.97	393.03	1.82	-37.15
CCCCC(C(=O)NCC1=NC(=O)O[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025576095	0	49	-1.0	-37.78	388.51	7.94	-29.84
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025576096	0	40	-1.0	-36.19	347.96	5.88	-30.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300025576097	0	30	-1.0	-35.68	292.38	2.33	-33.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300025576098	0	30	-1.0	-35.34	302.70	2.79	-32.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300025576099	0	30	-1.0	-35.59	302.70	2.78	-32.81
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NCC3=NC(=O)O[N-]3)N2C)C=C1	REAL300025576100	0	43	-1.0	-42.27	366.25	4.89	-37.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(F)=CC(F)=C21	REAL300025576101	0	31	-1.0	-34.12	283.29	1.73	-32.39
CN(C)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576102	0	32	-1.0	-37.87	288.46	2.07	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300025576103	0	34	-1.0	-47.25	302.33	-0.41	-47.66
CC(C)(C)OC(=O)NCC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025576104	0	50	-1.0	-40.48	415.04	3.74	-36.74
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2C1C2(F)F	REAL300025576105	0	45	-1.0	-37.20	368.45	2.66	-34.54
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025576106	0	40	-1.0	-40.82	338.03	-0.21	-41.03
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025576107	0	51	-1.0	-39.88	406.53	2.12	-37.76
O=C(NCC1=NC(=O)O[N-]1)C12CCN(CCC1)S2(=O)=O	REAL300025576108	0	33	-1.0	-42.34	279.48	-2.74	-45.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300025576109	0	33	-1.0	-42.94	300.61	0.82	-42.12
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2(F)F)=C1	REAL300025576110	0	34	-1.0	-37.48	309.53	3.77	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)ON=C1Br	REAL300025576111	0	27	-1.0	-35.58	275.94	1.34	-34.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CO2	REAL300025576112	0	25	-1.0	-36.67	257.02	-0.32	-36.99
CC(C)C1=CNC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NC2=C1	REAL300025576113	0	36	-1.0	-56.61	311.03	1.07	-55.54
O=C(CC1=CC2=C(C=C1Br)OCO2)NCC1=NC(=O)O[N-]1	REAL300025576114	0	30	-1.0	-38.69	289.46	0.87	-37.82
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)SC2=C1SN=N2	REAL300025576115	0	22	-1.0	-35.29	261.76	-0.53	-35.82
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC(=O)CC2)C=C1	REAL300025576116	0	42	-1.0	-36.85	337.07	4.10	-32.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CC1(F)F	REAL300025576117	0	35	-1.0	-38.64	291.54	1.29	-37.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300025576118	0	29	-1.0	-36.15	288.31	1.51	-34.64
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025576119	0	32	-1.0	-36.98	296.79	0.25	-36.73
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576120	0	47	-1.0	-36.65	367.19	2.44	-34.21
CC(C)(C)OC(=O)NC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025576121	0	51	-1.0	-39.97	384.35	1.63	-38.34
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025576122	0	41	-1.0	-40.43	345.50	-0.79	-41.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300025576123	0	27	-1.0	-39.17	267.92	2.27	-36.90
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300025576124	0	31	-1.0	-38.47	295.66	3.50	-34.97
COC1=NN(C)C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576125	0	28	-1.0	-40.33	281.21	-2.87	-43.20
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025576126	0	37	-1.0	-57.49	321.65	0.25	-57.24
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=C(C)S1	REAL300025576127	0	30	-1.0	-39.70	294.96	3.01	-36.69
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576128	0	48	-1.0	-44.69	378.21	3.17	-41.52
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576129	0	47	-1.0	-42.61	372.52	1.05	-41.56
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576130	0	49	-1.0	-37.72	382.52	4.27	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300025576131	0	27	-1.0	-35.61	288.35	3.49	-32.12
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576132	0	36	-1.0	-47.31	294.61	-2.22	-49.53
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NCC1=NC(=O)O[N-]1)C3=O	REAL300025576133	0	40	-1.0	-55.57	334.79	4.15	-51.42
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025576134	0	38	-1.0	-48.45	323.95	2.90	-45.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL300025576135	0	32	-1.0	-50.17	286.89	1.91	-48.26
COC1=CC2=NC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025576136	0	33	-1.0	-37.38	286.64	0.73	-36.65
CC(C)(C)OC(=O)N1CC2(CCOCC2)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576137	0	55	-1.0	-43.70	407.67	3.15	-40.55
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025576138	0	52	-1.0	-41.06	410.75	0.65	-40.41
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CO2	REAL300025576139	0	52	-1.0	-38.64	402.36	0.52	-38.12
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576140	0	48	-1.0	-44.17	378.61	4.92	-39.25
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576141	0	47	-1.0	-43.14	375.48	2.45	-40.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300025576142	0	36	-1.0	-42.78	314.45	0.51	-42.27
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300025576143	0	31	-1.0	-38.42	288.50	2.28	-36.14
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025576144	0	34	-1.0	-44.66	318.96	0.68	-43.98
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300025576145	0	33	-1.0	-37.24	296.91	2.75	-34.49
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025576146	0	26	-1.0	-37.44	258.07	0.46	-36.98
COC1=CC(Br)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576147	0	27	-1.0	-40.36	267.16	0.50	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300025576148	0	33	-1.0	-46.50	304.37	-1.31	-47.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL300025576149	0	31	-1.0	-40.62	285.55	2.33	-38.29
CCC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025576150	0	36	-1.0	-42.17	321.30	2.19	-39.98
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576151	0	39	-1.0	-39.78	349.94	0.48	-39.30
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576152	0	39	-1.0	-41.77	349.96	0.46	-41.31
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576153	0	50	-1.0	-36.78	399.14	0.09	-36.69
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576154	0	47	-1.0	-36.75	378.86	-0.66	-37.41
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576155	0	51	-1.0	-36.97	396.39	0.65	-36.32
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576156	0	44	-1.0	-42.12	356.55	2.61	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300025576157	0	34	-1.0	-40.11	323.19	2.72	-37.39
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576158	0	45	-1.0	-37.65	362.08	6.22	-31.43
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576159	0	35	-1.0	-35.04	303.58	2.85	-32.19
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576160	0	32	-1.0	-40.70	296.33	1.18	-39.52
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL300025576161	0	44	-1.0	-43.55	366.69	-3.26	-46.81
CC(C)(C)OC(=O)N1CCC2(CC(CC(=O)NCC3=NC(=O)O[N-]3)CO2)CC1	REAL300025576162	0	55	-1.0	-40.40	423.97	2.96	-37.44
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025576163	0	45	-1.0	-41.27	367.42	-1.36	-42.63
C=CCN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025576164	0	44	-1.0	-39.61	363.38	2.56	-37.05
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)C2CCCCC21	REAL300025576165	0	54	-1.0	-39.53	413.20	3.95	-35.58
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576166	0	47	-1.0	-44.73	368.48	2.65	-42.08
CC1(C)CCC(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025576167	0	39	-1.0	-41.88	319.61	3.48	-38.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=CC(Br)=C2S1	REAL300025576168	0	26	-1.0	-37.10	275.94	1.30	-35.80
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025576169	0	40	-1.0	-38.66	329.76	0.56	-38.10
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300025576170	0	37	-1.0	-40.40	318.16	2.24	-38.16
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300025576171	0	31	-1.0	-38.25	294.44	3.56	-34.69
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576172	0	49	-1.0	-35.18	367.86	2.62	-32.56
CC(C)(C)OC(=O)N1CCC[C@H]1CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025576173	0	50	-1.0	-46.42	412.11	1.46	-44.96
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576174	0	48	-1.0	-44.91	396.34	2.06	-42.85
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025576175	0	44	-1.0	-40.29	361.75	2.09	-38.20
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576176	0	47	-1.0	-38.06	372.55	1.10	-36.96
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025576177	0	51	-1.0	-40.38	390.09	1.91	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300025576178	0	34	-1.0	-38.94	299.96	0.61	-38.33
CC1=CN=C(N2CCOCC2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576179	0	38	-1.0	-39.81	318.09	0.18	-39.63
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576180	0	30	-1.0	-42.87	303.09	-0.81	-43.68
O=C(NCC1=NC(=O)O[N-]1)C1=NSC2=CC(Br)=CC=C21	REAL300025576181	0	26	-1.0	-37.19	273.12	1.67	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OC=CC2=C1	REAL300025576182	0	27	-1.0	-38.34	269.66	2.01	-36.33
CC(C)(C)OC(=O)NC1CCCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025576183	0	51	-1.0	-42.39	402.27	3.19	-39.20
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576184	0	48	-1.0	-40.52	383.87	0.34	-40.18
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(CCCC2)C1	REAL300025576185	0	51	-1.0	-37.32	392.49	3.09	-34.23
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576186	0	44	-1.0	-38.80	367.55	-0.56	-39.36
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300025576187	0	48	-1.0	-49.08	389.96	1.85	-47.23
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576188	0	54	-1.0	-39.65	383.50	3.59	-36.06
CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576189	0	57	-1.0	-40.80	428.60	4.90	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL300025576190	0	26	-1.0	-40.73	268.38	1.09	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300025576191	0	30	-1.0	-39.83	276.37	-1.64	-41.47
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL300025576192	0	34	-1.0	-38.09	296.26	3.89	-34.20
COCCN1C=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025576193	0	38	-1.0	-40.32	330.37	2.77	-37.55
CC(C)N1C=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025576194	0	37	-1.0	-40.06	314.73	4.17	-35.89
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576195	0	48	-1.0	-41.68	402.57	2.07	-39.61
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576196	0	47	-1.0	-38.83	372.50	2.69	-36.14
CC(C)(C)OC(=O)NCC1=CC=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025576197	0	50	-1.0	-43.02	411.75	3.60	-39.42
CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576198	0	46	-1.0	-41.05	394.37	1.71	-39.34
CC(C)(C)OC(=O)NC1CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576199	0	50	-1.0	-39.72	383.34	1.66	-38.06
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025576200	0	31	-1.0	-38.91	326.81	4.01	-34.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300025576201	0	29	-1.0	-37.85	280.82	2.06	-35.79
CC12CCCN1S(=O)(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576202	0	36	-1.0	-45.65	305.93	-2.69	-48.34
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025576203	0	48	-1.0	-49.75	389.59	-0.04	-49.79
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025576204	0	48	-1.0	-41.27	395.51	4.20	-37.07
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CCC1(F)F	REAL300025576205	0	50	-1.0	-39.69	389.36	1.79	-37.90
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@H](C(C)(C)C)C1	REAL300025576206	0	56	-1.0	-36.55	418.78	3.89	-32.66
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025576207	0	48	-1.0	-39.62	380.44	4.25	-35.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CCC(F)(F)F	REAL300025576208	0	30	-1.0	-35.16	282.77	0.78	-34.38
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576209	0	35	-1.0	-38.62	317.57	2.99	-35.63
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576210	0	47	-1.0	-42.29	378.56	2.49	-39.80
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL300025576211	0	47	-1.0	-38.76	403.02	2.48	-36.28
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025576212	0	40	-1.0	-40.90	352.92	0.09	-40.81
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576213	0	30	-1.0	-38.08	295.36	0.06	-38.02
COC1=CC2=CC=C(CC(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025576214	0	37	-1.0	-39.96	321.21	3.29	-36.67
CC(C)CC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576215	0	42	-1.0	-36.06	342.00	4.82	-31.24
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025576216	0	47	-1.0	-41.47	401.53	3.54	-37.93
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576217	0	43	-1.0	-42.42	366.33	-0.23	-42.65
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025576218	0	48	-1.0	-44.60	381.27	4.19	-40.41
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576219	0	50	-1.0	-39.96	410.77	2.72	-37.24
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576220	0	48	-1.0	-36.72	382.33	2.70	-34.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300025576221	0	24	-1.0	-32.81	253.80	1.76	-31.05
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576222	0	47	-1.0	-45.76	399.27	0.61	-45.15
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576223	0	51	-1.0	-38.36	381.07	3.23	-35.13
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576224	0	33	-1.0	-36.60	301.57	3.23	-33.37
CN(CC1=CC=CO1)C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025576225	0	36	-1.0	-42.71	319.04	-0.55	-43.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300025576226	0	37	-1.0	-41.39	332.73	3.67	-37.72
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C2C1	REAL300025576227	0	45	-1.0	-38.17	367.05	0.66	-37.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300025576228	0	42	-1.0	-38.83	368.26	4.16	-34.67
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025576229	0	35	-1.0	-40.65	305.58	0.92	-39.73
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025576230	0	30	-1.0	-35.63	284.87	2.59	-33.04
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576231	0	34	-1.0	-42.09	296.77	2.83	-39.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300025576232	0	30	-1.0	-39.68	300.95	3.44	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300025576233	0	34	-1.0	-37.78	306.97	2.14	-35.64
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576234	0	38	-1.0	-42.97	324.34	-0.02	-42.99
O=C(CCC1=C(Br)C=CS1)NCC1=NC(=O)O[N-]1	REAL300025576235	0	27	-1.0	-35.98	276.83	2.17	-33.81
O=C(CC1=C(Br)C=C2N=CNC2=C1)NCC1=NC(=O)O[N-]1	REAL300025576236	0	30	-1.0	-43.27	289.09	1.85	-41.42
O=C(CC1=C(Br)C=C2NC=NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025576236	1	30	-1.0	-43.10	288.94	1.85	-41.25
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576237	0	45	-1.0	-40.01	356.48	3.96	-36.05
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576238	0	33	-1.0	-44.21	302.50	1.85	-42.36
C=CCOC1=CC=C(Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576239	0	31	-1.0	-44.56	297.47	1.83	-42.73
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025576240	0	30	-1.0	-43.56	294.30	-0.90	-44.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300025576241	0	30	-1.0	-35.44	289.98	3.10	-32.34
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025576242	0	54	-1.0	-39.20	404.36	2.44	-36.76
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NCC3=NC(=O)O[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300025576243	0	49	-1.0	-40.19	384.18	2.11	-38.08
CC(C)(C)OC(=O)N1CCC(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CO2)CC1	REAL300025576244	0	50	-1.0	-42.13	408.82	0.32	-41.81
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025576245	0	40	-1.0	-40.19	348.27	-1.07	-41.26
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576246	0	45	-1.0	-36.68	354.99	3.17	-33.51
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025576247	0	50	-1.0	-44.02	412.13	1.01	-43.01
CN1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025576248	0	36	-1.0	-36.36	312.81	2.15	-34.21
O=C(NCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL300025576249	0	34	-1.0	-35.61	294.36	2.43	-33.18
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]2CC[C@@H](C2)C1	REAL300025576250	0	51	-1.0	-39.64	371.79	3.09	-36.55
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576251	0	44	-1.0	-44.73	356.12	0.21	-44.52
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(CO1)CCC2	REAL300025576252	0	52	-1.0	-38.83	401.70	0.27	-38.56
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CC(F)(F)C2)C1	REAL300025576253	0	48	-1.0	-40.89	396.23	2.16	-38.73
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025576254	0	50	-1.0	-38.75	393.24	1.25	-37.50
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2CC2)C1	REAL300025576255	0	48	-1.0	-39.84	377.76	3.70	-36.14
CC=CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025576256	0	39	-1.0	-42.17	336.68	3.35	-38.82
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025576257	0	48	-1.0	-44.86	394.58	2.98	-41.88
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576258	0	48	-1.0	-40.90	381.70	0.88	-40.02
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCC1=NC(=O)O[N-]1	REAL300025576259	0	48	-1.0	-37.94	367.13	2.32	-35.62
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025576260	0	54	-1.0	-40.77	416.77	2.72	-38.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300025576261	0	31	-1.0	-37.06	282.76	-0.26	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300025576262	0	41	-1.0	-40.13	326.68	3.54	-36.59
CC1=NN=C(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025576263	0	35	-1.0	-42.82	316.03	-1.57	-44.39
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)CC1	REAL300025576264	0	51	-1.0	-42.34	389.55	3.48	-38.86
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576265	0	48	-1.0	-44.10	386.34	1.97	-42.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300025576266	0	30	-1.0	-39.25	285.61	3.83	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300025576267	0	36	-1.0	-39.21	317.38	4.82	-34.39
CC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C(F)=C1	REAL300025576268	0	32	-1.0	-40.74	290.02	2.17	-38.57
CC(C)(C)OC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576269	0	37	-1.0	-36.45	322.78	2.79	-33.66
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(C)C=C1	REAL300025576270	0	35	-1.0	-38.57	305.57	0.93	-37.64
CCCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576271	0	40	-1.0	-37.96	340.10	3.54	-34.42
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025576272	0	41	-1.0	-52.62	358.84	-0.57	-53.19
COC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025576273	0	33	-1.0	-38.70	294.35	-0.06	-38.76
CCCC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576274	0	42	-1.0	-36.80	343.88	5.36	-31.44
O=C(CCC1=CC=C2CCOCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025576275	0	38	-1.0	-37.72	320.86	2.62	-35.10
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1Br	REAL300025576276	0	26	-1.0	-41.00	258.04	0.39	-40.61
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025576277	0	34	-1.0	-35.72	301.53	2.31	-33.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300025576278	0	28	-1.0	-38.30	269.15	0.90	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300025576279	0	27	-1.0	-34.17	280.93	2.71	-31.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300025576280	0	32	-1.0	-37.09	310.73	3.17	-33.92
N#CC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025576281	0	31	-1.0	-41.97	297.30	-0.17	-42.14
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576282	0	48	-1.0	-44.21	387.02	3.48	-40.73
COC(=O)C1CC(CCC(=O)NCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025576283	0	53	-1.0	-44.86	430.95	3.56	-41.30
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300025576284	0	34	-1.0	-43.96	313.09	3.14	-40.82
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576285	0	44	-1.0	-36.58	363.48	1.44	-35.14
CC(C)(C)C1=CC=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL300025576286	0	38	-1.0	-46.97	319.30	2.45	-44.52
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300025576287	0	34	-1.0	-36.35	305.33	3.67	-32.68
O=C(CCC1=CC=CC(Br)=C1F)NCC1=NC(=O)O[N-]1	REAL300025576288	0	30	-1.0	-38.56	293.20	3.17	-35.39
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576289	0	44	-1.0	-35.63	366.14	0.93	-34.70
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300025576290	0	46	-1.0	-35.99	381.91	6.20	-29.79
CN(C)C1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025576291	0	38	-1.0	-39.62	319.49	3.72	-35.90
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3=NC(=O)O[N-]3)C[C@@H]12	REAL300025576292	0	42	-1.0	-39.16	350.67	0.51	-38.65
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2O1	REAL300025576293	0	49	-1.0	-39.40	400.23	2.28	-37.12
COC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025576294	0	28	-1.0	-37.14	272.99	1.06	-36.08
CC1(C)OC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025576295	0	36	-1.0	-37.78	311.46	-0.39	-38.17
CN1N=CC2=NC(C(F)F)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025576296	0	32	-1.0	-38.52	290.95	-0.01	-38.53
COC(=O)C1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025576297	0	36	-1.0	-38.57	311.93	3.78	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300025576298	0	32	-1.0	-41.97	290.67	-0.69	-42.66
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300025576299	0	28	-1.0	-45.87	275.74	0.23	-45.64
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576300	0	44	-1.0	-37.13	364.70	-1.17	-38.30
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025576301	0	52	-1.0	-39.70	401.78	2.59	-37.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300025576302	0	46	-1.0	-36.96	393.78	0.20	-36.76
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025576303	0	51	-1.0	-46.69	391.66	3.43	-43.26
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576304	0	47	-1.0	-38.31	370.09	2.31	-36.00
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576305	0	51	-1.0	-40.62	390.31	3.76	-36.86
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576306	0	44	-1.0	-38.85	351.37	0.92	-37.93
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)O[C@@H]2COC[C@H]21	REAL300025576307	0	50	-1.0	-39.70	389.50	0.38	-39.32
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576308	0	45	-1.0	-38.60	369.59	1.22	-37.38
CC(C)(C)OC(=O)N1CCC2CC(CC(=O)NCC3=NC(=O)O[N-]3)CCC2C1	REAL300025576309	0	57	-1.0	-40.22	423.11	4.73	-35.49
CCOC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025576310	0	53	-1.0	-43.78	417.24	3.79	-39.99
COC1=CC=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)N2C(=O)OC(C)(C)C	REAL300025576311	0	49	-1.0	-45.16	397.84	3.30	-41.86
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)(C1CC1)C(F)(F)F	REAL300025576312	0	44	-1.0	-40.15	362.13	1.48	-38.67
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C12CCC2	REAL300025576313	0	48	-1.0	-38.60	370.60	2.17	-36.43
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576314	0	48	-1.0	-43.46	392.82	1.82	-41.64
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025576315	0	46	-1.0	-34.30	363.30	1.56	-32.74
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576316	0	38	-1.0	-42.96	325.15	-0.06	-43.02
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025576317	0	38	-1.0	-43.25	323.75	-0.50	-43.75
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=C(C)SC2=N1	REAL300025576318	0	33	-1.0	-36.86	297.25	2.81	-34.05
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576319	0	45	-1.0	-44.22	354.97	3.09	-41.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300025576320	0	27	-1.0	-34.83	272.45	2.46	-32.37
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576321	0	35	-1.0	-43.80	315.52	-2.71	-46.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300025576322	0	30	-1.0	-36.79	299.24	3.45	-33.34
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025576323	0	37	-1.0	-36.96	328.90	4.52	-32.44
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576324	0	40	-1.0	-37.85	337.15	3.21	-34.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300025576325	0	31	-1.0	-37.92	302.30	3.85	-34.07
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576326	0	30	-1.0	-39.79	305.51	1.06	-38.73
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300025576327	0	40	-1.0	-36.45	320.14	4.62	-31.83
O=C(CN1C=C(I)C=N1)NCC1=NC(=O)O[N-]1	REAL300025576328	0	24	-1.0	-40.16	254.20	0.24	-39.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300025576329	0	27	-1.0	-37.31	267.90	1.97	-35.34
O=C(CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025576330	0	44	-1.0	-37.79	392.51	6.45	-31.34
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300025576331	0	34	-1.0	-47.58	309.05	-2.59	-50.17
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NCC1=NC(=O)O[N-]1)C2(C)C	REAL300025576332	0	54	-1.0	-43.22	398.89	2.89	-40.33
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC(C2)C1	REAL300025576333	0	51	-1.0	-39.04	364.34	2.46	-36.58
COC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C21	REAL300025576334	0	33	-1.0	-42.58	309.11	1.90	-40.68
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576335	0	45	-1.0	-45.75	366.63	2.11	-43.64
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025576336	0	41	-1.0	-41.22	358.08	1.70	-39.52
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576337	0	40	0.0	-61.91	329.26	2.75	-59.16
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300025576338	0	30	-1.0	-34.82	298.69	3.26	-31.56
CC(C)(C)C1CCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025576339	0	46	-1.0	-49.80	355.31	2.71	-47.09
O=C(NCC1=NC(=O)O[N-]1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300025576340	0	31	-1.0	-41.88	310.49	1.48	-40.40
O=C(CC1=C(F)C=CC(F)=C1Br)NCC1=NC(=O)O[N-]1	REAL300025576341	0	27	-1.0	-37.92	274.84	2.30	-35.62
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300025576342	0	38	-1.0	-52.49	326.71	0.88	-51.61
CN=S(C)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576343	0	34	-1.0	-44.23	309.27	-1.53	-45.76
CC(C)(C)OC(=O)NOCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025576344	0	41	-1.0	-43.88	347.12	-0.08	-43.96
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300025576345	0	34	-1.0	-40.94	311.64	1.75	-39.19
COC1=CC=C2C(=C1)CCCC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025576346	0	38	-1.0	-38.41	312.23	2.84	-35.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300025576347	0	33	-1.0	-41.41	309.41	3.26	-38.15
CCCCSC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576348	0	37	-1.0	-37.56	325.77	4.49	-33.07
O=C(CC1=C(Br)C=CC(Cl)=C1F)NCC1=NC(=O)O[N-]1	REAL300025576349	0	27	-1.0	-37.44	285.32	2.76	-34.68
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025576350	0	33	-1.0	-38.09	306.85	4.36	-33.73
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300025576351	0	27	-1.0	-38.13	271.11	2.01	-36.12
O=C(NCC1=NC(=O)O[N-]1)C1CCC(OC(F)(F)F)CC1	REAL300025576352	0	34	-1.0	-37.15	288.77	0.63	-36.52
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576353	0	33	-1.0	-35.59	314.43	3.98	-31.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2O1	REAL300025576354	0	27	-1.0	-37.50	273.62	2.05	-35.45
CC1=C(F)C=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1I	REAL300025576355	0	27	-1.0	-34.41	271.70	2.70	-31.71
CC(CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300025576356	0	47	-1.0	-46.25	394.56	0.31	-45.94
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025576357	0	29	-1.0	-36.57	272.86	-3.35	-39.92
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC(F)=C2C1	REAL300025576358	0	48	-1.0	-37.78	386.74	4.26	-33.52
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300025576359	0	50	-1.0	-38.62	402.97	2.51	-36.11
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(C)=C1CN(C)C(=O)OC(C)(C)C	REAL300025576360	0	53	-1.0	-39.66	407.00	4.66	-35.00
COC1=CC=C(N2CCCCC2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576361	0	43	-1.0	-41.19	345.29	2.97	-38.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL300025576362	0	30	-1.0	-38.79	288.40	2.07	-36.72
COC1CC(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025576363	0	48	-1.0	-43.75	377.01	1.15	-42.60
CC(C)(C)OC(=O)NCC1CC(CC(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025576364	0	48	-1.0	-40.50	387.51	-0.58	-41.08
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576365	0	50	-1.0	-41.19	402.88	2.98	-38.21
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)CO2)CC1	REAL300025576366	0	52	-1.0	-38.43	404.74	2.16	-36.27
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C(F)(F)CC1	REAL300025576367	0	50	-1.0	-41.57	390.02	4.13	-37.44
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025576368	0	45	-1.0	-38.00	359.37	1.70	-36.30
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300025576369	0	40	-1.0	-39.73	354.67	6.24	-33.49
CC(C)(C)OC(=O)NCC1=NNC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576370	0	41	-1.0	-37.28	351.38	-2.15	-39.43
CN(CC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1)C(=O)OC(C)(C)C	REAL300025576371	0	51	-1.0	-41.02	421.58	4.63	-36.39
CC(C)(C)OC(=O)N1CCCCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576372	0	47	-1.0	-41.38	361.17	2.98	-38.40
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NCC3=NC(=O)O[N-]3)C[C@@H]2C1	REAL300025576373	0	48	-1.0	-41.58	376.95	2.77	-38.81
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576374	0	45	-1.0	-45.41	359.84	2.63	-42.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025576375	0	36	-1.0	-38.10	317.75	4.30	-33.80
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=NS1	REAL300025576376	0	40	-1.0	-37.32	355.07	-0.38	-37.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCNS2(=O)=O)=C1	REAL300025576377	0	38	-1.0	-43.42	334.66	-1.93	-45.35
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2CCC2)C1	REAL300025576378	0	51	-1.0	-42.45	390.82	3.71	-38.74
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576379	0	41	-1.0	-42.72	338.69	0.94	-41.78
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCC1	REAL300025576380	0	47	-1.0	-35.96	378.52	1.87	-34.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300025576381	0	37	-1.0	-38.37	323.92	5.51	-32.86
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025576382	0	41	-1.0	-40.30	358.10	3.99	-36.31
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2S1	REAL300025576383	0	43	-1.0	-44.19	378.15	0.83	-43.36
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576384	0	48	-1.0	-42.09	382.86	2.79	-39.30
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025576385	0	50	-1.0	-46.09	379.87	3.14	-42.95
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025576386	0	51	-1.0	-38.00	412.37	4.47	-33.53
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576387	0	48	-1.0	-40.90	373.99	3.84	-37.06
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576388	0	45	-1.0	-39.94	358.88	-0.43	-40.37
CC(C)(C)OC(=O)N1[C@@H](C(F)(F)F)CC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576389	0	44	-1.0	-44.10	362.96	2.88	-41.22
CC1(C)CC2=CC=CC(CC(=O)NCC3=NC(=O)O[N-]3)=C2O1	REAL300025576390	0	38	-1.0	-40.83	323.12	2.95	-37.88
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NCC1=NC(=O)O[N-]1	REAL300025576391	0	36	-1.0	-43.26	325.33	2.79	-40.47
CN1C=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025576392	0	32	-1.0	-45.77	287.25	1.73	-44.04
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576393	0	44	-1.0	-41.19	354.18	0.47	-40.72
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576394	0	50	-1.0	-38.45	383.98	2.66	-35.79
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC=CCC1	REAL300025576395	0	48	-1.0	-35.37	374.61	2.17	-33.20
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCSCC1	REAL300025576396	0	45	-1.0	-39.05	360.66	1.59	-37.46
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576397	0	45	-1.0	-37.22	365.13	2.63	-34.59
CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576398	0	48	-1.0	-43.08	384.86	4.90	-38.18
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCCC[C@@H]12	REAL300025576399	0	54	-1.0	-42.54	392.06	4.21	-38.33
CC(C)(C)OC(=O)NC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)OC2	REAL300025576400	0	43	-1.0	-40.67	354.13	-1.98	-42.65
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576401	0	44	-1.0	-40.94	360.26	-0.15	-41.09
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576401	1	44	-1.0	-37.78	356.76	-0.43	-38.21
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025576402	0	41	-1.0	-38.76	346.15	1.41	-37.35
CC(C)(C)OC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576403	0	50	-1.0	-44.66	415.36	3.42	-41.24
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(CCNC(=O)OC(C)(C)C)=N1	REAL300025576404	0	46	-1.0	-41.15	395.24	0.07	-41.08
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576405	0	43	-1.0	-38.59	352.74	0.05	-38.54
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025576406	0	48	-1.0	-38.80	377.97	2.75	-36.05
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576407	0	37	-1.0	-37.22	313.30	-1.19	-38.41
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025576408	0	55	-1.0	-39.00	408.56	2.27	-36.73
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025576409	0	51	-1.0	-44.11	387.62	3.44	-40.67
CC(C)(C)OC(=O)N1CCCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)(F)F)C1	REAL300025576410	0	47	-1.0	-44.18	376.69	3.10	-41.08
CC(C)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(C(=O)NCC3=NC(=O)O[N-]3)CCC[C@]21C	REAL300025576411	0	59	-1.0	-37.36	420.63	7.92	-29.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300025576412	0	24	-1.0	-32.73	259.86	2.11	-30.62
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576413	0	38	-1.0	-47.16	329.71	2.19	-44.97
CC(C)(C)OC(=O)N1CCC(COCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576414	0	51	-1.0	-42.24	406.29	3.11	-39.13
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576415	0	43	-1.0	-35.49	344.84	0.04	-35.45
CC1=CC=C(CC(CNC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576416	0	53	-1.0	-41.64	424.36	3.57	-38.07
CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576417	0	46	-1.0	-45.51	387.03	-3.13	-48.64
CC(C)(C)OC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576418	0	48	-1.0	-44.43	401.11	3.44	-40.99
CC(C)(C)OC(=O)N1C[C@@H](CC(F)(F)F)[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576419	0	47	-1.0	-39.89	392.20	2.59	-37.30
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576420	0	38	-1.0	-43.80	329.60	2.20	-41.60
O=C(CC1CC2=CC=CC=C2NC1=O)NCC1=NC(=O)O[N-]1	REAL300025576421	0	35	-1.0	-44.03	299.22	2.03	-42.00
CC1(C)C(=O)NC2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC21	REAL300025576422	0	41	-1.0	-38.46	323.13	-0.48	-38.94
COC1(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)CCOCC1	REAL300025576423	0	41	-1.0	-37.13	335.64	-0.24	-37.37
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025576424	0	43	-1.0	-44.90	369.77	-0.30	-45.20
CN(CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025576425	0	42	-1.0	-38.53	349.33	5.23	-33.30
CN1C=NC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025576426	0	32	-1.0	-43.76	287.27	1.75	-42.01
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576427	0	32	-1.0	-44.57	304.19	1.83	-42.74
COC1=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C(OC)C=C1C	REAL300025576428	0	42	-1.0	-40.29	351.58	2.47	-37.82
CC(C)(C)OC(=O)N1CCCC2(CC(=O)NCC3=NC(=O)O[N-]3)CCCCC12	REAL300025576429	0	57	-1.0	-37.32	406.16	4.75	-32.57
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025576430	0	44	-1.0	-38.49	353.05	1.00	-37.49
CC(C)(C)OC(=O)N[C@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL300025576431	0	46	-1.0	-42.22	385.23	1.32	-40.90
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025576432	0	46	-1.0	-43.41	363.83	0.29	-43.12
O=C(NCC1=NC(=O)O[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL300025576433	0	34	-1.0	-41.21	280.95	-1.84	-43.05
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025576434	0	53	-1.0	-37.89	397.46	3.80	-34.09
CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)NCC1=NC(=O)O[N-]1	REAL300025576435	0	48	-1.0	-39.32	389.74	2.64	-36.68
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576436	0	44	-1.0	-36.03	369.00	0.66	-35.37
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C21	REAL300025576437	0	31	-1.0	-41.80	292.50	3.23	-38.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300025576438	0	35	-1.0	-46.17	313.55	-2.85	-49.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C(Cl)=CC=C2S1	REAL300025576439	0	27	-1.0	-36.38	294.90	3.46	-32.92
CC(C)(C)OC(=O)N1C2=CC=CC=C2C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576440	0	48	-1.0	-39.55	386.25	4.53	-35.02
CC(C)(C)OC(=O)NC1=C2C=CN(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025576441	0	48	-1.0	-42.63	400.79	3.43	-39.20
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1CNC(=O)OC(C)(C)C	REAL300025576442	0	48	-1.0	-39.22	397.40	0.82	-38.40
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025576443	0	48	-1.0	-37.88	379.96	2.32	-35.56
O=C(CC1=CC=CC(OCC2CC2)=C1)NCC1=NC(=O)O[N-]1	REAL300025576444	0	38	-1.0	-39.17	328.78	3.54	-35.63
O=C(NCC1=NC(=O)O[N-]1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300025576445	0	45	-1.0	-37.69	376.52	4.86	-32.83
CCN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1Br	REAL300025576446	0	27	-1.0	-38.15	283.80	0.64	-37.51
O=C(NCC1=NC(=O)O[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)CC12COC2	REAL300025576447	0	47	-1.0	-42.04	395.78	1.97	-40.07
CN1N=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025576448	0	23	-1.0	-37.74	241.03	-2.34	-40.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300025576449	0	34	-1.0	-39.30	323.51	3.75	-35.55
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C(F)F)CC1	REAL300025576450	0	47	-1.0	-41.21	370.44	2.68	-38.53
CC(C)(C)OC(=O)N1CC2=NC=CN2CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576451	0	48	-1.0	-41.48	385.76	2.85	-38.63
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=CO2	REAL300025576452	0	42	-1.0	-40.95	355.92	1.46	-39.49
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NCC3=NC(=O)O[N-]3)C21	REAL300025576453	0	48	-1.0	-47.54	369.57	2.05	-45.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300025576454	0	32	-1.0	-42.46	292.19	3.88	-38.58
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NCC1=NC(=O)O[N-]1	REAL300025576455	0	37	-1.0	-36.86	325.00	4.57	-32.29
COC1=CC2=CC=CN=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576456	0	33	-1.0	-46.02	289.61	1.16	-44.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300025576457	0	26	-1.0	-34.53	269.51	0.90	-33.63
CCN1N=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025576458	0	26	-1.0	-37.47	262.84	-1.51	-38.98
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL300025576459	0	35	-1.0	-36.91	308.00	2.30	-34.61
CC(=O)NC1=C2C=CN(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025576460	0	38	-1.0	-45.76	334.18	2.10	-43.66
CN1C(=O)NC2(CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)C1=O	REAL300025576461	0	39	-1.0	-42.91	318.29	-1.28	-44.19
CC1=CC(Br)=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C21	REAL300025576462	0	30	-1.0	-35.67	290.84	0.97	-34.70
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025576463	0	39	-1.0	-36.17	346.98	4.37	-31.80
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576464	0	46	-1.0	-41.77	369.11	-0.65	-42.42
CC(C)(C)OC(=O)N(CCC(=O)NCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025576465	0	51	-1.0	-39.50	426.44	5.10	-34.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300025576466	0	36	-1.0	-39.80	318.30	3.71	-36.09
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300025576467	0	27	-1.0	-35.84	272.95	1.97	-33.87
O=C(NCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025576468	0	36	-1.0	-42.99	297.16	-3.61	-46.60
O=C(NCC1=NC(=O)O[N-]1)C1=C(I)C=CS1	REAL300025576469	0	21	-1.0	-35.79	236.65	1.14	-34.65
COC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025576470	0	33	-1.0	-37.21	305.98	2.49	-34.72
COC(=O)C1=NNC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025576471	0	33	-1.0	-42.43	302.82	0.39	-42.04
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL300025576472	0	36	-1.0	-39.09	322.31	3.67	-35.42
CC1=NN(CC(F)(F)F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576473	0	30	-1.0	-36.19	283.26	0.68	-35.51
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(Cl)N=C1Cl	REAL300025576474	0	26	-1.0	-32.77	263.43	0.74	-32.03
CC1=C(C)C(C(=O)NCC2=NC(=O)O[N-]2)=C(N2C=NN=N2)S1	REAL300025576475	0	32	-1.0	-49.15	303.37	1.53	-47.62
CC12CC3(C)CC(F)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C2)C3	REAL300025576476	0	44	-1.0	-36.52	332.41	4.00	-32.52
COC1=NC=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025576477	0	29	-1.0	-35.58	275.19	-3.06	-38.64
O=C(NCC1=NC(=O)O[N-]1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300025576478	0	29	-1.0	-38.40	289.92	0.45	-37.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL300025576479	0	40	-1.0	-37.94	329.97	0.14	-37.80
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025576480	0	46	0.0	-56.67	361.03	5.40	-51.27
CC1CN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025576481	0	43	-1.0	-37.68	350.26	0.69	-36.99
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025576481	1	44	0.0	-64.46	346.83	3.12	-61.34
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025576481	1	44	0.0	-64.59	346.89	3.12	-61.47
COC1=CC([C@@H](C)CC(=O)NCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025576482	0	40	-1.0	-37.07	330.16	3.00	-34.07
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=C(Br)C=C2)=CC=N1	REAL300025576483	0	34	-1.0	-38.52	328.56	2.81	-35.71
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576484	0	40	-1.0	-37.69	332.81	2.65	-35.04
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025576485	0	40	-1.0	-38.73	336.51	3.34	-35.39
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300025576486	0	38	-1.0	-40.78	334.12	4.30	-36.48
CN(C)C(=O)SC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=CC=CC=C21	REAL300025576487	0	41	-1.0	-45.89	359.59	3.87	-42.02
CC(=O)NC(C(=O)N1CCCC1C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025576488	0	48	-1.0	-52.64	393.28	3.36	-49.28
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025576489	0	47	-1.0	-39.30	367.05	2.18	-37.12
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025576490	0	52	-1.0	-36.17	389.41	1.52	-34.65
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1	REAL300025576491	0	33	-1.0	-38.18	320.26	0.09	-38.09
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OCC1(C)C	REAL300025576492	0	48	-1.0	-37.65	375.98	1.88	-35.77
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576493	0	46	-1.0	-37.33	370.89	4.70	-32.63
CC(C)(C)OC(=O)NC1CC2(C1)CC1(CC(C(=O)NCC3=NC(=O)O[N-]3)C1)C2	REAL300025576494	0	55	-1.0	-40.17	436.20	3.50	-36.67
O=C(CCC(=O)C1=CC=C(Br)S1)NCC1=NC(=O)O[N-]1	REAL300025576495	0	29	-1.0	-36.79	299.88	2.18	-34.61
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CN=C1N1CCOCC1	REAL300025576496	0	39	-1.0	-36.24	343.24	1.18	-35.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC3=NSN=C3C=C2)C=C1	REAL300025576497	0	39	-1.0	-41.16	356.55	2.66	-38.50
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCOCC1	REAL300025576498	0	35	-1.0	-35.48	294.10	1.44	-34.04
CN1C=C(Br)C(OCC(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025576499	0	28	-1.0	-42.82	282.12	-1.32	-44.14
CC(C)(C)OC(=O)NCCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025576500	0	47	-1.0	-42.49	376.39	0.78	-41.71
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC=CC1	REAL300025576501	0	45	-1.0	-38.90	364.43	1.03	-37.87
C[NH+](C)C1CC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025576502	0	46	0.0	-59.40	349.73	4.14	-55.26
CC(C)(C)OC(=O)NC(CC1=NC=CC(=O)N1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576503	0	46	-1.0	-45.99	388.67	-0.57	-46.56
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576504	0	47	-1.0	-39.55	384.60	-0.46	-40.01
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]1C(F)(F)F	REAL300025576505	0	44	-1.0	-38.87	375.02	1.25	-37.62
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576506	0	48	-1.0	-44.30	354.45	4.43	-39.87
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C12CC2	REAL300025576507	0	45	-1.0	-39.73	359.46	2.21	-37.52
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025576508	0	47	-1.0	-41.35	376.93	2.40	-38.95
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576509	0	44	-1.0	-39.29	364.62	0.47	-38.82
COC1=CC=C(C(CC(=O)NCC2=NC(=O)O[N-]2)NC(=O)OC(C)(C)C)C=N1	REAL300025576510	0	50	-1.0	-40.28	407.75	-0.74	-41.02
CC(C)(C)OC(=O)NC(CC1=CC=CC(C#N)=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576511	0	48	-1.0	-43.60	403.39	3.46	-40.14
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576512	0	50	-1.0	-37.95	388.85	2.78	-35.17
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300025576513	0	33	-1.0	-39.38	300.78	3.41	-35.97
COC1=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL300025576514	0	33	-1.0	-43.22	294.25	0.53	-42.69
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576515	0	44	-1.0	-38.59	365.49	0.53	-38.06
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025576516	0	49	-1.0	-37.53	381.52	2.15	-35.38
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025576517	0	42	-1.0	-39.82	349.96	0.52	-39.30
CC(C)(C)OC(=O)NC(CC1=CC(=O)NC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576518	0	47	-1.0	-41.79	379.51	-1.18	-42.97
CC(C)(C)OC(=O)NCC1=C(F)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576519	0	44	-1.0	-40.61	367.93	1.88	-38.73
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576520	0	40	-1.0	-36.68	348.07	4.18	-32.50
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C(F)(F)F)S1	REAL300025576521	0	33	-1.0	-34.88	323.31	2.81	-32.07
CCCN(CCC)S(=O)(=O)C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576522	0	47	-1.0	-51.86	391.76	3.97	-47.89
O=C(NCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C(Br)=N1	REAL300025576523	0	27	-1.0	-46.25	270.94	2.12	-44.13
CC(C)(C)OC(=O)N1CC2(C[C@H]1C(=O)NCC1=NC(=O)O[N-]1)OCCO2	REAL300025576524	0	47	-1.0	-44.34	378.55	0.66	-43.68
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025576525	0	48	-1.0	-43.54	372.94	2.34	-41.20
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@H]1C1=CC=CC=C1	REAL300025576526	0	48	-1.0	-42.63	394.80	2.31	-40.32
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300025576527	0	34	-1.0	-36.88	316.81	4.01	-32.87
CS(=O)(=O)C1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025576528	0	43	-1.0	-52.64	361.29	1.83	-50.81
O=C(CC1=CC=C(Br)C(Cl)=C1F)NCC1=NC(=O)O[N-]1	REAL300025576529	0	27	-1.0	-38.88	286.75	2.84	-36.04
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300025576530	0	27	-1.0	-46.27	281.14	0.69	-45.58
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576532	0	30	-1.0	-35.76	275.67	2.28	-33.48
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300025576533	0	29	-1.0	-46.28	284.82	1.59	-44.69
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025576534	0	26	-2.0	-103.96	265.02	0.07	-103.89
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025576534	1	26	-2.0	-103.96	265.02	0.07	-103.89
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025576535	0	26	-2.0	-108.73	264.91	0.07	-108.66
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025576535	1	26	-2.0	-108.73	264.91	0.07	-108.66
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NCC1=NC(=O)O[N-]1	REAL300025576536	0	35	-1.0	-44.92	305.30	2.11	-42.81
CN1C2=C(CCCC1=O)OC=C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025576537	0	35	-1.0	-40.47	295.16	0.61	-39.86
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025576538	0	41	-1.0	-40.85	347.77	3.54	-37.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL300025576539	0	26	-1.0	-40.06	271.87	0.99	-39.07
COC1=C2NC=C(CC(=O)NCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025576540	0	35	-1.0	-41.84	307.18	1.07	-40.77
O=C(CC1=CNC2=C(OCC3=CC=CC=C3)C=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025576541	0	45	-1.0	-42.44	388.95	5.06	-37.38
O=C(CC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12)NCC1=NC(=O)O[N-]1	REAL300025576542	0	45	-1.0	-43.87	387.56	5.09	-38.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300025576543	0	28	-1.0	-34.03	277.82	1.54	-32.49
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025576544	0	36	-1.0	-39.90	317.26	2.85	-37.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL300025576545	0	31	-1.0	-36.49	282.76	-0.26	-36.75
CC1=C(Br)C(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1C	REAL300025576546	0	30	-1.0	-57.75	280.18	1.49	-56.26
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1	REAL300025576547	0	34	-1.0	-39.05	318.88	3.76	-35.29
CS(C)(=O)=NC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576548	0	33	-1.0	-56.81	299.20	-2.33	-59.14
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(F)=C2N1	REAL300025576549	0	28	-1.0	-36.03	282.30	1.64	-34.39
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300025576550	0	41	-1.0	-37.49	346.62	5.09	-32.40
COC(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025576551	0	33	-1.0	-42.29	305.11	2.42	-39.87
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025576552	0	41	-1.0	-40.82	347.78	3.54	-37.28
COC(=O)C1=C2CCCCC2=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025576553	0	37	-1.0	-36.56	325.01	3.22	-33.34
O=C(NCC1=NC(=O)O[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL300025576554	0	35	-1.0	-41.81	311.70	3.24	-38.57
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025576555	0	41	-1.0	-44.75	344.87	3.53	-41.22
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC(Br)=C1	REAL300025576556	0	30	-1.0	-37.90	288.22	-0.70	-38.60
CC1=C(Br)C(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL300025576557	0	34	-1.0	-55.24	307.52	2.85	-52.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CNS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025576558	0	42	-1.0	-44.60	378.68	1.06	-43.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300025576559	0	38	-1.0	-44.83	327.02	-1.96	-46.79
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)S1	REAL300025576560	0	34	-1.0	-38.25	304.31	-0.21	-38.46
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1CC(F)(F)F	REAL300025576561	0	30	-1.0	-43.46	284.69	0.52	-42.94
COCCOC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025576562	0	35	-1.0	-38.46	327.37	1.17	-37.29
CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC(Cl)=C21	REAL300025576563	0	31	-1.0	-38.98	286.96	3.03	-35.95
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576564	0	33	-1.0	-39.35	298.36	2.74	-36.61
CN1N=NC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576565	0	33	-1.0	-40.94	290.70	0.82	-40.12
CCCC(C(=O)NCC1=NC(=O)O[N-]1)N1SC2=CC=CC=C2C1=O	REAL300025576566	0	39	-1.0	-46.80	344.15	4.79	-42.01
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)N1C=C(I)C=N1	REAL300025576567	0	30	-1.0	-39.22	288.66	1.48	-37.74
CC(C)(C)OC(=O)N1CC=CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576568	0	42	-1.0	-39.04	341.60	1.87	-37.17
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300025576569	0	34	-1.0	-43.92	324.28	1.89	-42.03
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(Br)=C1)C1CCCCC1	REAL300025576570	0	43	-1.0	-35.45	364.46	5.82	-29.63
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CS1)C1CCCCC1	REAL300025576571	0	40	-1.0	-35.82	333.15	4.59	-31.23
CCOC(=O)C12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025576572	0	43	-1.0	-36.58	342.06	3.56	-33.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCSC2)N=C1Cl	REAL300025576573	0	31	-1.0	-36.35	292.36	1.91	-34.44
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025576574	0	41	-1.0	-39.76	346.64	0.46	-39.30
O=C(CC1=CC(Cl)=CC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025576575	0	27	-1.0	-35.97	283.78	2.84	-33.13
CN1N=C(C(F)(F)F)C=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025576576	0	30	-1.0	-39.68	288.11	0.24	-39.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL300025576577	0	31	-1.0	-41.79	291.63	1.01	-40.78
COC1=C2C(C(=O)NCC3=NC(=O)O[N-]3)=CSC2=CC=C1	REAL300025576578	0	31	-1.0	-40.85	281.16	3.10	-37.75
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC(Br)=CN2C=N1	REAL300025576579	0	24	-1.0	-42.92	263.76	2.11	-40.81
CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576580	0	47	-1.0	-51.42	395.58	-1.22	-52.64
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL300025576581	0	30	-1.0	-43.97	280.59	1.00	-42.97
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576582	0	45	-1.0	-42.58	356.28	0.73	-41.85
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CO1)C2	REAL300025576583	0	49	-1.0	-38.40	392.78	-0.38	-38.78
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576584	0	45	-1.0	-41.14	358.04	2.73	-38.41
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025576585	0	48	-1.0	-38.83	377.95	1.06	-37.77
CCO[C@@H]1C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025576586	0	48	-1.0	-44.82	390.21	1.35	-43.47
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC2CC2C1	REAL300025576587	0	48	-1.0	-35.40	373.22	2.37	-33.03
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025576588	0	44	-1.0	-45.26	374.19	-0.55	-45.81
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025576589	0	44	-1.0	-37.74	353.92	1.79	-35.95
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576590	0	52	-1.0	-40.95	406.55	-0.88	-41.83
CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025576590	1	52	-1.0	-40.95	406.55	-0.88	-41.83
COC1=CC=C(Cl)C(F)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025576591	0	28	-1.0	-42.50	276.50	0.79	-41.71
COC1=CC(Br)=CC=C1C(=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025576592	0	30	-1.0	-37.86	290.26	2.07	-35.79
CN(C)C1=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL300025576593	0	34	-1.0	-46.02	300.45	-0.19	-46.21
CS(C)(=O)=NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025576594	0	31	-1.0	-56.72	296.48	-1.53	-58.25
O=C(CCC(=O)C1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025576595	0	29	-1.0	-38.00	299.71	2.07	-35.93
O=C(CCC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576596	0	33	-1.0	-44.84	319.82	3.94	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=NC=CC=N2)C1	REAL300025576597	0	40	-1.0	-47.86	331.52	2.32	-45.54
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CC1	REAL300025576598	0	34	-1.0	-45.56	315.59	3.87	-41.69
CC1=CC=C(SC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025576599	0	43	-1.0	-51.22	374.99	5.30	-45.92
CC1=CC=C(SC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025576600	0	43	-1.0	-50.51	376.03	5.36	-45.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1=CC=CC=C1	REAL300025576601	0	37	-1.0	-50.82	336.59	4.10	-46.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1F	REAL300025576602	0	27	-1.0	-46.96	269.15	2.24	-44.72
CN1C(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2N(C)C1=O	REAL300025576603	0	38	-1.0	-49.21	331.22	1.20	-48.01
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025576604	0	37	-1.0	-51.98	337.89	0.82	-51.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL300025576605	0	29	-1.0	-43.86	277.99	0.78	-43.08
CC1=CC(C)=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025576606	0	35	-1.0	-58.23	310.65	1.64	-56.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=N1	REAL300025576607	0	29	-1.0	-42.17	279.40	0.80	-41.37
CC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1F	REAL300025576608	0	41	-1.0	-50.12	349.32	3.18	-46.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CCCO2)=C1	REAL300025576609	0	42	-1.0	-52.95	351.72	2.23	-50.72
CC1=CC=C(OC2=CC=C(OCC(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025576610	0	45	-1.0	-50.64	386.96	5.62	-45.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1	REAL300025576611	0	45	-1.0	-51.98	381.49	1.37	-50.61
COCCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576612	0	42	-1.0	-55.54	374.29	-2.35	-57.89
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576613	0	48	-1.0	-51.64	395.80	6.22	-45.42
CSC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1C1=CC=C(F)C=C1	REAL300025576614	0	38	-1.0	-43.76	351.67	4.60	-39.16
CC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025576615	0	37	-1.0	-46.96	330.92	4.84	-42.12
CCOC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025576616	0	41	-1.0	-46.28	339.11	1.36	-44.92
CC1=NN2C(=C1)N=CC(C(=O)NCCC1=NC(=O)O[N-]1)=C2C	REAL300025576617	0	35	-1.0	-45.51	310.42	1.41	-44.10
CC1=CN2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2C=C1	REAL300025576618	0	35	-1.0	-53.28	307.11	2.35	-50.93
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025576619	0	37	-1.0	-46.97	339.25	2.99	-43.98
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC3=C(CCCC3)C2=CC=C1	REAL300025576620	0	41	-1.0	-47.81	335.96	4.17	-43.64
COC1=CC=C(C(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025576621	0	49	-1.0	-62.16	398.70	3.11	-59.05
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=CN=CC=N2)C1	REAL300025576622	0	40	-1.0	-47.24	329.99	0.21	-47.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025576623	0	38	-2.0	-95.22	363.59	0.50	-94.72
O=C(CCC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576624	0	35	-1.0	-44.65	315.94	2.92	-41.73
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576625	0	47	-1.0	-51.86	392.35	5.05	-46.81
CSC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1C1=CC=CC=C1	REAL300025576626	0	38	-1.0	-45.35	343.63	4.52	-40.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)C=C1	REAL300025576627	0	41	-1.0	-48.08	354.57	4.82	-43.26
CCOC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025576628	0	45	-1.0	-49.37	373.45	2.68	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=CC=C2)O1	REAL300025576629	0	38	-1.0	-45.80	339.32	2.98	-42.82
CC1=CC(NC(=O)C(C)SCC(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025576630	0	40	-1.0	-56.79	360.58	1.60	-55.19
CC1=CC=C(NC(=O)CSC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576631	0	44	-1.0	-58.81	385.82	3.08	-55.73
O=C(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576632	0	44	-1.0	-54.25	384.85	-2.14	-56.39
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576633	0	35	-1.0	-50.87	328.43	-2.01	-52.88
CC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(C3=CC=CC=C3)=N2)C=C1	REAL300025576634	0	47	-1.0	-50.75	399.16	6.93	-43.82
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025576635	0	48	-1.0	-56.61	404.62	1.23	-55.38
CC1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576636	0	47	-1.0	-48.11	380.78	0.15	-47.96
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)(C)C	REAL300025576637	0	48	-1.0	-55.69	396.97	-0.58	-56.27
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCCC(C)C	REAL300025576638	0	47	-1.0	-47.86	384.34	3.77	-44.09
CCCCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025576639	0	50	-1.0	-47.89	409.77	4.81	-43.08
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025576640	0	38	-1.0	-54.96	342.40	-1.69	-56.65
COC1=CC(OC)=CC(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025576641	0	51	-1.0	-47.10	413.44	0.90	-46.20
CC(C)C(NC(=O)C1=CC=CO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576642	0	40	-1.0	-45.87	342.13	0.65	-45.22
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576643	0	43	-1.0	-49.05	369.54	2.34	-46.71
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025576644	0	44	-1.0	-48.02	366.77	3.24	-44.78
CC1=CC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025576645	0	40	-1.0	-49.03	354.75	3.72	-45.31
CC(C)(C)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(C(C)(C)C)=C1	REAL300025576646	0	55	-1.0	-48.18	424.19	6.96	-41.22
CC(C)(C)C1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576647	0	43	-1.0	-48.71	348.01	4.63	-44.08
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576648	0	40	-1.0	-45.87	352.46	3.67	-42.20
CC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576649	0	37	-1.0	-53.33	324.29	1.12	-52.21
CC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576650	0	37	-1.0	-50.36	325.50	0.55	-49.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CCC2=O)C=C1	REAL300025576651	0	40	-1.0	-51.67	351.44	2.69	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)CNC2=O)C=C1	REAL300025576652	0	39	-1.0	-52.58	346.10	0.16	-52.42
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576653	0	41	-1.0	-53.23	367.02	6.06	-47.17
COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576654	0	38	-1.0	-51.52	335.97	2.19	-49.33
O=C(CNS(=O)(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025576655	0	35	-1.0	-51.71	322.02	-2.08	-53.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1	REAL300025576656	0	40	-1.0	-53.39	370.10	1.16	-52.23
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025576657	0	39	-1.0	-46.94	335.09	0.68	-46.26
CC1=CC(Cl)=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576658	0	37	-1.0	-48.23	331.09	3.91	-44.32
CCOC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576659	0	38	-1.0	-50.64	328.20	2.31	-48.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300025576660	0	38	-1.0	-49.92	330.39	2.02	-47.90
CN1C=NC2=C1C(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)N2C	REAL300025576661	0	39	-1.0	-57.64	341.49	2.55	-55.09
CC1CCCCN1S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576662	0	48	-1.0	-53.11	387.51	2.09	-51.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Cl	REAL300025576663	0	27	-1.0	-44.62	277.12	2.68	-41.94
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025576664	0	37	-1.0	-48.13	325.06	2.40	-45.73
CCOC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576665	0	38	-1.0	-48.34	337.78	2.90	-45.44
O=C(CCC1=NC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025576666	0	35	-1.0	-48.97	311.66	-0.01	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CN1C1=CC=C(F)C=C1	REAL300025576667	0	34	-1.0	-46.54	307.84	4.07	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=CC=C21	REAL300025576668	0	39	-1.0	-46.50	329.15	3.96	-42.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300025576669	0	34	-1.0	-45.22	319.82	4.29	-40.93
CCCCC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576670	0	42	-1.0	-46.72	353.81	5.22	-41.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)O1	REAL300025576671	0	34	-1.0	-46.84	315.47	3.42	-43.42
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576672	0	42	-1.0	-49.54	355.08	-0.32	-49.86
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576673	0	43	-1.0	-55.57	369.47	2.83	-52.74
O=C(COC1=CC=C(F)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576674	0	31	-1.0	-51.61	299.28	2.70	-48.91
CC1=NN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300025576675	0	45	-1.0	-52.24	395.63	4.85	-47.39
O=C(CNC(=O)C1=CC(Cl)=CC=N1)NCCC1=NC(=O)O[N-]1	REAL300025576676	0	33	-1.0	-46.65	316.28	-1.19	-47.84
O=C(COC1=CC=C(C2SCCCS2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576677	0	43	-1.0	-50.70	381.50	5.67	-45.03
CS(=O)(=O)N1CCCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025576678	0	42	-1.0	-53.16	353.19	0.85	-52.31
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CS(=O)(=O)C2=CC=CC=C2)C=CO1	REAL300025576679	0	40	-1.0	-54.75	365.42	1.05	-53.70
O=C(CCC(=O)C1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576680	0	42	-1.0	-45.72	355.09	4.76	-40.96
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576681	0	37	-1.0	-55.07	341.13	1.18	-53.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025576682	0	27	-1.0	-44.30	264.59	2.16	-42.14
O=C(COC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025576683	0	33	-1.0	-63.15	302.87	3.26	-59.89
O=C(CCC1=CNC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025576684	0	37	-1.0	-48.09	321.24	3.08	-45.01
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300025576685	0	38	-1.0	-55.47	359.35	0.46	-55.01
CC1CCC2=C(C1)SC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576686	0	37	-1.0	-46.19	315.08	3.70	-42.49
O=C(CCCN1C(=O)C2=CC=CC3=CC=CC(=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576687	0	46	-1.0	-58.65	393.70	4.71	-53.94
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025576688	0	40	-1.0	-48.02	342.38	3.72	-44.30
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCC1	REAL300025576689	0	46	-1.0	-57.03	390.49	0.51	-56.52
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C(=O)C2=CC=CC=C21	REAL300025576690	0	45	-1.0	-44.44	387.67	4.88	-39.56
CC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025576691	0	46	-1.0	-44.95	374.33	2.96	-41.99
CC(C)C(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576692	0	55	-1.0	-43.93	430.61	4.61	-39.32
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(Cl)C=C2)C1	REAL300025576693	0	44	-1.0	-47.59	375.84	3.81	-43.78
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025576694	0	45	-1.0	-52.75	368.91	2.37	-50.38
O=C(CCCSC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576695	0	37	-1.0	-48.25	346.35	4.77	-43.48
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C([N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300025576696	0	34	-1.0	-42.28	309.82	3.38	-38.90
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025576697	0	43	-1.0	-47.28	356.71	6.12	-41.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC1=CC=CC=C1	REAL300025576698	0	40	-1.0	-46.47	337.27	5.75	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300025576699	0	30	-1.0	-46.27	295.05	3.44	-42.83
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N1CCCCC1	REAL300025576700	0	48	-1.0	-54.52	383.58	1.83	-52.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(Cl)C=C2S1	REAL300025576701	0	30	-1.0	-43.57	311.78	3.94	-39.63
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025576702	0	45	-1.0	-47.49	378.23	6.26	-41.23
COC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025576703	0	46	-1.0	-48.42	386.27	4.88	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025576704	0	44	-1.0	-52.37	394.72	5.87	-46.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300025576705	0	34	-1.0	-44.73	330.15	4.74	-39.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)NC2=C1	REAL300025576706	0	36	-1.0	-49.42	319.82	0.92	-48.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C3OCCOC3=C2)S1	REAL300025576707	0	40	-1.0	-47.95	357.89	3.38	-44.57
CC(OC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576708	0	34	-1.0	-47.75	310.21	3.24	-44.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300025576709	0	27	-1.0	-48.76	271.01	2.51	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300025576710	0	27	-1.0	-44.88	272.56	2.57	-42.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL300025576711	0	27	-1.0	-42.88	276.77	2.56	-40.32
O=C(CC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025576712	0	30	-1.0	-47.45	299.85	3.19	-44.26
CCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576713	0	41	-1.0	-47.37	338.21	3.84	-43.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025576714	0	37	-1.0	-47.08	317.40	4.95	-42.13
O=C(CCC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576715	0	35	-1.0	-44.30	326.27	3.37	-40.93
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025576716	0	39	-1.0	-50.89	334.73	1.82	-49.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300025576717	0	38	-1.0	-53.24	331.54	5.61	-47.63
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576718	0	37	-1.0	-47.04	320.14	3.50	-43.54
O=C(CC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576719	0	30	-1.0	-46.19	298.90	3.16	-43.03
O=C(CN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576720	0	34	-1.0	-55.06	313.15	1.40	-53.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=CC=C2O1	REAL300025576721	0	32	-1.0	-46.59	293.31	1.80	-44.79
CC(C)(C)C1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576722	0	49	-1.0	-49.32	395.46	4.93	-44.39
CCOC1=CC=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576723	0	44	-1.0	-53.47	370.40	3.43	-50.04
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576724	0	40	-1.0	-49.77	340.70	3.29	-46.48
CC1=CC=CC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576725	0	40	-1.0	-49.92	340.70	3.29	-46.63
CC1CC(C)CN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])C1	REAL300025576726	0	50	-1.0	-51.99	400.75	6.14	-45.85
O=C(CCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025576727	0	35	-1.0	-48.15	320.99	2.45	-45.70
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025576728	0	37	-1.0	-48.54	334.50	2.62	-45.92
CC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025576729	0	39	-1.0	-53.25	353.01	3.85	-49.40
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC3=C(C=C2S1)OCCO3	REAL300025576730	0	36	-1.0	-46.96	339.51	2.56	-44.40
COC1=CC=C(OC)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576731	0	38	-1.0	-49.78	325.73	0.85	-48.93
COC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576732	0	35	-1.0	-48.54	315.92	1.97	-46.57
CCOC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576733	0	40	-1.0	-47.15	339.50	3.31	-43.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025576734	0	41	-1.0	-53.23	360.77	4.62	-48.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCCS2)C=C1	REAL300025576735	0	39	-1.0	-46.62	347.95	5.09	-41.53
CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576736	0	40	-1.0	-44.29	345.69	1.27	-43.02
O=C(NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CS1	REAL300025576737	0	38	-1.0	-59.09	347.51	2.56	-56.53
O=C(CN1C(=O)C2=CC=C(Br)C=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576738	0	34	-1.0	-51.98	334.42	2.02	-49.96
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576739	0	43	-1.0	-53.87	386.82	-0.95	-54.82
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576740	0	41	-1.0	-48.33	354.10	0.25	-48.08
COC1=CC=C(Cl)C=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025576741	0	42	-1.0	-51.15	376.58	2.65	-48.50
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576742	0	44	-1.0	-52.97	376.43	0.95	-52.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21	REAL300025576743	0	42	-1.0	-47.51	356.83	5.58	-41.93
CCOC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576744	0	42	-1.0	-45.73	360.70	3.09	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300025576745	0	41	-1.0	-51.78	369.13	6.59	-45.19
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025576746	0	33	-1.0	-54.38	298.70	2.28	-52.10
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576747	0	48	-1.0	-47.70	396.45	2.20	-45.50
CC1=NN2C(=C1)N=C(C)C(CCC(=O)NCCC1=NC(=O)O[N-]1)=C2C	REAL300025576748	0	44	-1.0	-49.89	368.05	3.49	-46.40
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025576749	0	47	-1.0	-49.84	371.83	2.46	-47.38
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300025576750	0	44	-1.0	-47.88	374.17	3.06	-44.82
O=C(CC1=CSC(C2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025576751	0	33	-1.0	-53.69	323.22	2.20	-51.49
CCC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025576752	0	39	-1.0	-44.94	353.45	3.79	-41.15
CC1=CC=C(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576753	0	42	-2.0	-92.88	374.78	4.99	-87.89
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576753	1	42	-2.0	-92.88	374.78	4.99	-87.89
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576754	0	42	-2.0	-92.85	375.00	4.99	-87.86
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576754	1	42	-2.0	-92.85	375.00	4.99	-87.86
CC1=NC2=NC(N)=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576755	0	42	-1.0	-52.58	356.24	4.58	-48.00
CSC1=NC(C)=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=N1	REAL300025576756	0	41	-1.0	-47.20	356.16	2.52	-44.68
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C=C2)=N1	REAL300025576757	0	36	-1.0	-44.06	333.57	3.14	-40.92
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576758	0	44	-1.0	-55.81	365.12	1.78	-54.03
COC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576759	0	33	-1.0	-48.62	298.79	2.77	-45.85
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025576760	0	40	-1.0	-53.16	348.04	3.37	-49.79
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576761	0	45	-1.0	-57.10	396.36	-2.53	-59.63
CC1=CC=C(CN2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025576762	0	44	-1.0	-49.25	373.61	3.79	-45.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCO2)C=C1	REAL300025576763	0	42	-1.0	-49.20	351.53	2.16	-47.04
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025576764	0	43	-1.0	-49.82	354.48	4.56	-45.26
O=C(COC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025576765	0	37	-1.0	-52.08	321.88	4.41	-47.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C1C=CC1=C2C=CC=C1	REAL300025576766	0	39	-1.0	-45.63	338.30	4.88	-40.75
CC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025576767	0	41	-1.0	-51.40	360.46	-0.88	-52.28
CC1=CC=C(Cl)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576768	0	34	-1.0	-52.00	314.29	3.31	-48.69
O=C(COC1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576769	0	38	-1.0	-50.61	322.40	4.01	-46.60
CC1=C(C2=CC=CC=C2)OC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2C1=O	REAL300025576770	0	45	-1.0	-53.08	382.80	6.95	-46.13
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300025576771	0	37	-1.0	-53.74	326.18	2.45	-51.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCC(=O)NC2=C1	REAL300025576772	0	33	-1.0	-48.50	303.25	0.55	-47.95
CCCCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025576773	0	43	-1.0	-49.53	373.98	3.36	-46.17
CCN1C(=O)C2=CC=CC=C2N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025576774	0	42	-1.0	-54.64	359.50	3.26	-51.38
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025576775	0	36	-1.0	-50.50	324.94	3.11	-47.39
O=C(CCSC1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025576776	0	34	-1.0	-46.12	313.89	3.52	-42.60
CC1=CC=C(C)C(SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576777	0	37	-1.0	-47.35	326.36	3.92	-43.43
CC1=CC(SCC(=O)NCCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025576778	0	37	-1.0	-46.43	344.42	4.43	-42.00
CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025576779	0	39	-1.0	-47.99	348.54	3.25	-44.74
CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025576779	1	39	-1.0	-47.99	348.54	3.25	-44.74
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)C=N2	REAL300025576780	0	42	-1.0	-52.22	363.43	2.87	-49.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300025576781	0	41	-1.0	-49.50	372.42	5.45	-44.05
CCCN1C(=O)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025576782	0	46	-1.0	-51.73	391.85	5.11	-46.62
CC1CC1C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025576783	0	40	-1.0	-45.95	342.16	4.22	-41.73
O=C(COC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576784	0	31	-1.0	-49.70	309.61	3.16	-46.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300025576785	0	41	-1.0	-50.43	354.55	4.81	-45.62
CC1SC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=O	REAL300025576786	0	36	-1.0	-47.97	322.71	1.27	-46.70
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)C=CS1	REAL300025576787	0	34	-1.0	-46.66	309.49	4.16	-42.50
O=C(COC1=CC=C2C=CC(=O)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576788	0	36	-1.0	-61.93	324.55	3.61	-58.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=C1CCCCCN1C2=O	REAL300025576789	0	45	-1.0	-51.45	366.07	3.94	-47.51
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=C1C(=O)N1CCCCCC1=N2	REAL300025576790	0	45	-1.0	-51.84	372.09	3.75	-48.09
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025576791	0	43	-1.0	-46.39	388.66	5.11	-41.28
CN1C2=C(C=CC=C2)C2=C1SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025576792	0	37	-1.0	-48.50	336.44	4.57	-43.93
COC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025576793	0	37	-1.0	-44.66	321.85	1.90	-42.76
CC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576794	0	46	-1.0	-48.86	387.02	-0.20	-49.06
CC1=CC=CC(NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025576795	0	45	-1.0	-48.67	369.44	5.52	-43.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21	REAL300025576796	0	41	-1.0	-48.01	354.36	4.08	-43.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(F)C=C2S1	REAL300025576797	0	30	-1.0	-43.77	301.45	3.51	-40.26
O=C(CC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576798	0	30	-1.0	-46.78	289.22	2.84	-43.94
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576799	0	31	-1.0	-48.84	324.77	3.61	-45.23
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300025576800	0	41	-1.0	-46.64	328.60	4.03	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025576801	0	42	-1.0	-48.48	372.41	5.18	-43.30
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025576802	0	40	-1.0	-45.50	370.95	4.69	-40.81
CC1=C([N+](=O)[O-])C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025576803	0	34	-1.0	-43.73	309.67	3.21	-40.52
CC(C)(C)C1=CC=C(OCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025576804	0	53	-1.0	-47.59	430.75	7.14	-40.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1	REAL300025576805	0	41	-1.0	-47.38	381.62	6.96	-40.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1	REAL300025576806	0	41	-1.0	-50.58	369.10	5.40	-45.18
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025576807	0	46	-1.0	-54.17	385.67	5.05	-49.12
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576808	0	47	-1.0	-51.21	399.18	6.93	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=CC=C1Cl	REAL300025576809	0	41	-1.0	-50.10	364.31	6.54	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=C(Cl)C=C2S1	REAL300025576810	0	30	-1.0	-44.38	323.30	4.29	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CC=C(F)C=C1	REAL300025576811	0	41	-1.0	-52.20	358.81	6.14	-46.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCCOC1=CC=CC=C1	REAL300025576812	0	45	-1.0	-56.30	382.32	5.80	-50.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1	REAL300025576813	0	41	-1.0	-47.68	371.30	5.34	-42.34
C[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576814	0	38	-1.0	-49.75	340.31	-1.42	-51.17
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576815	0	40	-1.0	-47.92	346.08	3.60	-44.32
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576816	0	40	-1.0	-45.03	368.33	4.01	-41.02
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576817	0	37	-1.0	-46.10	342.89	3.50	-42.60
O=C(COC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576818	0	31	-1.0	-49.93	312.85	3.31	-46.62
COC1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025576819	0	42	-1.0	-57.80	359.11	2.25	-55.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)C3=CC=CC=C3C2=O)=C1	REAL300025576820	0	44	-1.0	-55.45	390.95	4.80	-50.65
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CO2)C1	REAL300025576821	0	38	-1.0	-50.67	332.96	1.24	-49.43
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576822	0	40	-1.0	-45.84	382.58	4.48	-41.36
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576823	0	41	-1.0	-52.91	339.84	3.48	-49.43
CCN(CC)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025576824	0	47	-1.0	-55.71	388.10	1.70	-54.01
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CC=C2F)CC1	REAL300025576825	0	45	-1.0	-55.08	383.57	1.36	-53.72
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576826	0	39	-1.0	-52.34	334.05	-0.71	-53.05
O=C(CCN1N=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576827	0	37	-1.0	-50.94	330.84	0.36	-50.58
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(COC2=CC=C(Cl)C=C2)=N1	REAL300025576828	0	40	-1.0	-45.30	376.02	3.13	-42.17
O=C(CC1=COC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025576829	0	36	-1.0	-55.95	323.76	0.82	-55.13
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576830	0	45	-1.0	-49.42	388.33	0.65	-48.77
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576831	0	38	-1.0	-53.27	338.85	-0.47	-53.74
CCC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025576832	0	44	-1.0	-55.53	365.46	3.94	-51.59
O=C(CN1N=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576833	0	34	-1.0	-55.96	309.81	-0.16	-56.12
COCC1=NC(OC)=C2C(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=N1	REAL300025576834	0	42	-1.0	-45.44	371.76	-0.88	-46.32
O=C(CC1=CSC(C2=CC=CN=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025576835	0	35	-1.0	-55.48	326.61	1.41	-54.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CN3C=CC=CC3=N2)=C1	REAL300025576836	0	44	-1.0	-54.28	380.44	5.35	-48.93
CC(OC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576837	0	35	-1.0	-50.79	314.27	3.13	-47.66
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576838	0	40	-1.0	-55.48	355.67	2.62	-52.86
CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576839	0	39	-1.0	-58.94	335.29	3.80	-55.14
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025576840	0	37	-1.0	-50.23	336.24	4.82	-45.41
O=C(CCC1=NC(C2=CC=CC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025576841	0	38	-1.0	-47.60	340.23	1.66	-45.94
COC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576842	0	38	-1.0	-46.06	331.68	-0.66	-46.72
O=C(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576843	0	45	-1.0	-46.25	390.90	2.89	-43.36
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576844	0	35	-1.0	-49.97	313.54	-2.83	-52.80
C=CCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576845	0	39	-1.0	-53.75	353.73	-0.90	-54.65
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025576846	0	39	-1.0	-56.83	339.86	-2.42	-59.25
CCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576847	0	38	-1.0	-53.88	340.92	-1.45	-55.33
CC(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576848	0	41	-1.0	-49.76	360.10	-0.80	-50.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CCCO2)=C1	REAL300025576849	0	46	-1.0	-56.12	397.78	-1.18	-57.30
O=C(CCC(=O)C1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576850	0	45	-1.0	-45.43	372.29	5.34	-40.09
O=C(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025576851	0	38	-1.0	-50.99	356.78	-1.31	-52.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2CCCO2)C=C1	REAL300025576852	0	46	-1.0	-51.11	397.82	-1.14	-52.25
CCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576853	0	38	-1.0	-50.00	340.90	-1.44	-51.44
C=CCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576854	0	39	-1.0	-49.85	353.71	-0.89	-50.74
CSC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576855	0	39	-1.0	-45.41	348.45	3.83	-41.58
O=C(CN1C(=O)COC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025576856	0	36	-1.0	-54.09	314.43	0.99	-53.10
CC1=NN(CC(C)C)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576857	0	39	-1.0	-44.45	344.66	2.17	-42.28
CC1=C(C)C2=C(N=CN(CC(=O)NCCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025576858	0	38	-1.0	-57.64	341.96	3.23	-54.41
CC1=CC=CC2=C1N=CN(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025576859	0	38	-1.0	-57.11	333.73	3.56	-53.55
O=C(CC1=CC(F)=CC2=C1OCOC2)NCCC1=NC(=O)O[N-]1	REAL300025576860	0	36	-1.0	-50.85	317.65	1.41	-49.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CCC2=C1	REAL300025576861	0	35	-1.0	-48.76	303.05	0.72	-48.04
CS(=O)(=O)NCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576862	0	41	-1.0	-56.81	364.73	-0.86	-57.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)C=C1	REAL300025576863	0	38	-1.0	-46.01	338.34	4.46	-41.55
CC1=NC(COC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025576864	0	40	-1.0	-50.30	359.60	2.63	-47.67
CC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025576865	0	38	-1.0	-50.56	319.79	2.43	-48.13
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(=S)N1	REAL300025576866	0	30	-1.0	-56.32	295.16	0.97	-55.35
C=CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025576867	0	39	-1.0	-48.42	336.68	2.26	-46.16
COC1=CC2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025576868	0	39	-1.0	-49.79	330.28	1.90	-47.89
O=C(CN1C(=O)C=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025576869	0	35	-1.0	-53.54	310.33	0.96	-52.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3CCCO3)C(=O)C2=C1	REAL300025576870	0	45	-1.0	-52.81	387.66	2.13	-50.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=CC=C2S1	REAL300025576871	0	30	-1.0	-46.37	298.28	3.41	-42.96
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025576872	0	42	-1.0	-56.19	361.01	-0.58	-56.77
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576873	0	44	-1.0	-53.36	366.05	-0.52	-53.88
CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025576874	0	48	-1.0	-49.12	400.71	2.15	-46.97
CCN(CC)S(=O)(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C=C1	REAL300025576875	0	47	-1.0	-59.51	410.75	0.57	-58.94
CCOC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025576876	0	38	-1.0	-45.92	348.09	3.79	-42.13
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025576877	0	44	-1.0	-51.84	380.79	6.40	-45.44
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025576878	0	43	-1.0	-49.86	368.25	2.92	-46.94
CN(CCCC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025576879	0	44	-1.0	-55.94	392.18	1.28	-54.66
CCN(CC)S(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576880	0	50	-1.0	-50.10	426.08	2.74	-47.36
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025576881	0	41	-1.0	-48.43	348.08	2.22	-46.21
CCOC1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025576882	0	45	-1.0	-53.24	381.71	3.07	-50.17
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(F)C=C21	REAL300025576883	0	33	-1.0	-42.69	298.80	2.68	-40.01
CC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025576884	0	34	-1.0	-45.85	316.22	-0.18	-46.03
COC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025576885	0	42	-1.0	-47.84	360.89	-0.76	-48.60
CC(C)(C)C1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576886	0	46	-1.0	-45.29	378.39	2.35	-42.94
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025576887	0	36	-1.0	-48.76	330.47	0.69	-48.07
COC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025576888	0	40	-1.0	-50.74	357.66	0.77	-49.97
O=C(CNC(=O)C1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576889	0	34	-1.0	-44.30	323.56	0.65	-43.65
O=C(CNC(=O)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025576890	0	34	-1.0	-45.38	319.01	0.54	-44.84
CC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1	REAL300025576891	0	40	-1.0	-45.95	345.09	1.36	-44.59
CCOC1=CC=CC=C1C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576892	0	41	-1.0	-49.08	351.45	1.51	-47.57
O=C(CNC(=O)C1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025576893	0	34	-1.0	-45.86	308.69	0.10	-45.76
CCOC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025576894	0	48	-1.0	-47.50	404.60	1.07	-46.43
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC2=CC=C(F)C=C2)=N1	REAL300025576895	0	39	-1.0	-46.09	357.23	3.87	-42.22
CCC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025576896	0	39	-1.0	-50.58	338.71	4.02	-46.56
O=C(CSC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576897	0	31	-1.0	-46.63	307.74	3.30	-43.33
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025576898	0	47	-1.0	-47.95	388.63	4.16	-43.79
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300025576899	0	36	-1.0	-43.75	343.90	3.59	-40.16
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C2C1	REAL300025576900	0	35	-1.0	-44.35	314.60	2.58	-41.77
COC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025576901	0	37	-1.0	-49.74	326.14	1.28	-48.46
CC1=CC=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=C1C	REAL300025576902	0	44	-1.0	-50.50	367.34	4.30	-46.20
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025576903	0	48	-1.0	-49.23	400.70	2.15	-47.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCC(=O)NC2=C1	REAL300025576904	0	33	-1.0	-49.51	294.01	-1.24	-50.75
CC1(C)NC(=O)N(CCCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025576905	0	41	-1.0	-54.04	352.75	-0.67	-54.71
O=C(CCCCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025576906	0	41	-1.0	-49.94	363.99	4.01	-45.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NN1	REAL300025576907	0	34	-1.0	-44.34	326.04	2.21	-42.13
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025576908	0	37	-1.0	-48.86	312.95	3.17	-45.69
O=C(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025576909	0	38	-1.0	-53.12	347.09	2.56	-50.56
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576910	0	34	-1.0	-44.44	301.16	1.37	-43.07
CC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025576911	0	39	-1.0	-52.83	329.27	2.25	-50.58
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(Cl)C=C21	REAL300025576912	0	33	-1.0	-42.33	309.02	3.13	-39.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(NC3=CC=CC=C3)S2)S1	REAL300025576913	0	38	-1.0	-46.38	360.17	4.26	-42.12
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576914	0	44	-1.0	-50.37	378.46	-1.50	-51.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(C3=CC=CC=C3)C(=O)NC2=C1	REAL300025576915	0	43	-1.0	-50.49	378.92	3.47	-47.02
CS(=O)(=O)NCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025576916	0	38	-1.0	-54.11	357.31	-1.71	-55.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1	REAL300025576917	0	41	-1.0	-52.50	371.64	2.96	-49.54
CC1=CC(Br)=CC(Cl)=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576918	0	34	-1.0	-47.42	338.18	4.09	-43.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CS1	REAL300025576919	0	34	-1.0	-46.59	311.32	4.01	-42.58
O=C(CC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576920	0	33	-1.0	-47.33	306.66	3.22	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1Cl	REAL300025576921	0	27	-1.0	-42.90	278.39	2.60	-40.30
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576922	0	36	-1.0	-54.32	324.76	-2.94	-57.26
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025576923	0	37	-1.0	-46.28	325.97	1.68	-44.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCCC2=O)=C1	REAL300025576924	0	38	-1.0	-53.04	345.11	3.69	-49.35
O=C(CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576925	0	44	-1.0	-53.64	390.04	0.85	-52.79
CC(C)(C)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576926	0	45	-1.0	-45.01	365.53	5.35	-39.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SCC1=CC=CS1	REAL300025576927	0	38	-1.0	-50.07	350.63	5.51	-44.56
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025576928	0	38	-1.0	-48.87	357.02	-0.90	-49.77
O=C(CSC1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576929	0	38	-1.0	-48.10	332.01	4.59	-43.51
O=C(CN1N=C(C2=CC=CC=C2)OC1=O)NCCC1=NC(=O)O[N-]1	REAL300025576930	0	36	-1.0	-54.58	331.41	0.11	-54.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)F	REAL300025576931	0	30	-1.0	-49.73	287.28	1.60	-48.13
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576932	0	41	-1.0	-48.79	357.00	-0.77	-49.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1	REAL300025576933	0	42	-1.0	-52.21	381.56	-0.31	-52.52
O=C(CNC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576934	0	34	-1.0	-44.71	308.67	0.10	-44.61
O=C(CCNS(=O)(=O)C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025576935	0	35	-1.0	-52.67	336.00	-2.43	-55.10
CC1CCCCC12NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025576936	0	45	-1.0	-53.02	359.44	0.62	-52.40
COC1=CC=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576937	0	38	-1.0	-47.52	331.75	-0.67	-48.19
O=C(CNC(=O)C1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576938	0	37	-1.0	-47.20	328.29	-1.30	-48.50
COC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025576939	0	46	-1.0	-47.44	394.06	-0.82	-48.26
COC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1	REAL300025576940	0	42	-1.0	-48.48	361.21	-1.36	-49.84
CCOC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576941	0	41	-1.0	-45.84	353.53	0.28	-45.56
CCCCOC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576942	0	47	-1.0	-45.39	396.53	1.86	-43.53
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576943	0	42	-1.0	-58.89	378.38	-3.20	-62.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025576944	0	36	-1.0	-45.50	323.19	3.21	-42.29
CSCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025576945	0	37	-1.0	-45.51	337.03	3.84	-41.67
O=C(CC1=CC(Cl)=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025576946	0	36	-1.0	-50.99	328.40	1.91	-49.08
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)NCCC1=NC(=O)O[N-]1	REAL300025576947	0	36	-1.0	-52.56	341.93	3.47	-49.09
COC(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025576948	0	40	-1.0	-56.68	356.25	4.29	-52.39
O=C(CCN1C(=O)COC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025576949	0	39	-1.0	-48.64	335.45	1.45	-47.19
CON(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576950	0	39	-1.0	-54.68	351.41	-0.28	-54.96
O=C(COCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025576951	0	36	-1.0	-56.07	334.07	2.03	-54.04
CC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025576952	0	39	-1.0	-46.16	346.41	1.21	-44.95
O=C(CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025576953	0	37	-1.0	-47.39	354.02	1.94	-45.45
COC1=CC=CC=C1C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576954	0	38	-1.0	-49.02	329.60	0.59	-48.43
O=C(CNC(=O)COC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025576955	0	38	-1.0	-48.22	335.81	0.60	-47.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1	REAL300025576956	0	36	-1.0	-48.98	306.10	1.49	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCOC2=C1	REAL300025576957	0	33	-1.0	-46.52	303.71	1.24	-45.28
COC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025576958	0	37	-1.0	-47.37	318.81	3.10	-44.27
CC1=NC2=NC=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576959	0	40	-1.0	-51.65	340.41	4.92	-46.73
NC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576960	0	35	-1.0	-56.36	311.29	-1.04	-57.40
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=CS2)C1	REAL300025576961	0	42	-1.0	-51.30	373.38	0.38	-50.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCCCOC2=C1	REAL300025576962	0	36	-1.0	-45.90	322.12	2.03	-43.87
O=C(CC1=CC=C(OC(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576963	0	34	-1.0	-50.51	307.19	1.80	-48.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1Br	REAL300025576964	0	27	-1.0	-45.47	265.96	2.23	-43.24
CCOC1=CC=C(OC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576965	0	44	-1.0	-48.49	354.75	3.18	-45.31
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=N1	REAL300025576966	0	36	-1.0	-45.06	327.18	3.07	-41.99
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CS2)=N1	REAL300025576967	0	33	-1.0	-44.20	319.55	2.19	-42.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300025576968	0	36	-1.0	-43.89	343.91	3.58	-40.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(Cl)=C2)=N1	REAL300025576969	0	33	-1.0	-46.18	327.30	2.86	-43.32
CS(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576970	0	36	-1.0	-59.35	328.33	-0.27	-59.62
CC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1C	REAL300025576971	0	37	-1.0	-51.17	318.11	1.10	-50.07
O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025576972	0	51	-1.0	-43.78	381.84	2.61	-41.17
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576973	0	41	-1.0	-53.84	360.13	-0.81	-54.65
CC1=CC(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025576974	0	38	-1.0	-44.84	340.96	3.45	-41.39
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025576975	0	44	-1.0	-50.63	380.58	3.33	-47.30
CC1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025576976	0	44	-1.0	-52.47	382.49	-0.23	-52.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2=O)C=C1	REAL300025576977	0	38	-1.0	-50.71	320.92	2.66	-48.05
CC1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025576978	0	44	-1.0	-50.48	358.97	4.61	-45.87
O=C(CN1C=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025576979	0	35	-1.0	-57.07	313.57	2.72	-54.35
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576980	0	44	-1.0	-49.27	366.01	-0.49	-49.76
CCC(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576981	0	44	-1.0	-49.61	380.73	0.04	-49.57
CC1=CC=C(C)C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576982	0	41	-1.0	-45.04	346.86	4.20	-40.84
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CO1	REAL300025576983	0	44	-1.0	-47.50	378.38	2.35	-45.15
O=C(COC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025576984	0	31	-1.0	-48.85	298.14	2.73	-46.12
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025576985	0	38	-1.0	-51.11	326.68	1.42	-49.69
CSC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576986	0	31	-1.0	-46.46	295.98	3.07	-43.39
O=C(CC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025576987	0	30	-1.0	-45.90	296.04	3.07	-42.83
O=C(CC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025576988	0	33	-1.0	-47.77	306.99	3.24	-44.53
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025576989	0	35	-1.0	-46.23	326.23	2.86	-43.37
CC1=CC(Cl)=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025576990	0	34	-1.0	-48.71	313.65	3.33	-45.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1O	REAL300025576991	0	27	-2.0	-99.16	269.87	1.71	-97.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025576991	1	27	-2.0	-99.16	269.87	1.71	-97.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300025576992	0	29	-1.0	-52.11	286.74	3.41	-48.70
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C=N2	REAL300025576993	0	39	-1.0	-56.92	342.41	2.32	-54.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300025576994	0	33	-1.0	-43.23	321.07	3.55	-39.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025576995	0	31	-1.0	-43.74	289.20	1.34	-42.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21	REAL300025576996	0	41	-1.0	-48.09	351.82	3.79	-44.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NC2=CC=CC=C21	REAL300025576997	0	39	-1.0	-46.27	349.62	4.64	-41.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NC2=CC=CC=C21	REAL300025576998	0	41	-1.0	-48.07	352.00	3.81	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NC2=CC=CC=C21	REAL300025576999	0	42	-1.0	-48.26	374.96	6.20	-42.06
COC1=CC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577000	0	37	-1.0	-50.66	316.50	4.38	-46.28
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025577001	0	40	-1.0	-47.07	364.58	4.63	-42.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)C=C1	REAL300025577002	0	42	-1.0	-49.54	365.19	0.68	-48.86
CC(C)OCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577003	0	40	-1.0	-46.81	340.50	2.99	-43.82
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1Cl	REAL300025577004	0	40	-1.0	-46.53	358.22	4.21	-42.32
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025577005	0	39	-1.0	-45.41	334.79	5.02	-40.39
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025577006	0	47	-1.0	-49.11	399.65	0.81	-48.30
CC1=CC=C(C23CC4CC(CC(C(=O)NCCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1C	REAL300025577007	0	57	-1.0	-48.30	418.91	7.83	-40.47
COC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577008	0	41	-1.0	-50.72	348.79	1.90	-48.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1	REAL300025577009	0	43	-1.0	-53.47	370.97	-0.88	-54.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1I	REAL300025577010	0	27	-1.0	-46.35	265.05	2.61	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300025577011	0	45	-1.0	-52.94	380.40	1.52	-51.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300025577012	0	38	-1.0	-49.09	333.70	4.44	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NC2=CC=CC=C21	REAL300025577013	0	42	-1.0	-46.87	373.55	6.10	-40.77
O=C(CSC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577014	0	31	-1.0	-47.21	318.19	3.65	-43.56
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)NCCC1=NC(=O)O[N-]1	REAL300025577015	0	37	-1.0	-51.07	340.29	5.15	-45.92
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577016	0	40	-1.0	-48.90	342.14	5.63	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1	REAL300025577017	0	27	-1.0	-46.53	271.09	2.63	-43.90
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025577018	0	42	-1.0	-53.12	359.84	1.34	-51.78
O=C(NCCC1=NC(=O)O[N-]1)C1C2=CC=CC=C2OC2=CC=CC=C21	REAL300025577019	0	39	-1.0	-50.34	332.87	4.70	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)O1	REAL300025577020	0	24	-1.0	-41.42	249.22	0.28	-41.14
CCCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577021	0	43	-1.0	-46.09	359.06	4.15	-41.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(Br)=C1	REAL300025577022	0	26	-1.0	-44.00	259.62	0.38	-43.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300025577023	0	29	-1.0	-46.46	284.00	2.72	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1	REAL300025577024	0	44	-1.0	-46.76	366.16	4.83	-41.93
CC1=CC(C)=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025577025	0	40	-1.0	-48.60	340.06	4.23	-44.37
CSCCC(NC(=O)C1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577026	0	44	-1.0	-45.72	392.71	3.25	-42.47
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577027	0	35	-1.0	-50.57	338.75	-1.56	-52.13
COC1=CC=C(C2=C(C)SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025577028	0	41	-1.0	-47.39	363.84	4.15	-43.24
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577029	0	44	-1.0	-53.53	398.65	-0.49	-54.02
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577030	0	33	-1.0	-53.24	316.51	-0.42	-53.66
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2Cl)C1	REAL300025577031	0	41	-1.0	-48.54	359.81	3.22	-45.32
CCC1=CC=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025577032	0	44	-1.0	-49.62	365.96	4.36	-45.26
CC1=CC(NC(=O)CSCC(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025577033	0	37	-1.0	-57.58	342.03	1.04	-56.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(COC2=CC=C(F)C=C2)O1	REAL300025577034	0	38	-1.0	-46.08	345.73	3.05	-43.03
CC1=CC(C)=NC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=NN21	REAL300025577035	0	34	-1.0	-54.30	307.17	2.85	-51.45
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577036	0	35	-1.0	-52.81	328.43	-2.01	-54.82
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1	REAL300025577037	0	41	-1.0	-50.82	359.01	-2.33	-53.15
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577038	0	43	-1.0	-45.11	389.82	4.69	-40.42
CCC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1CC	REAL300025577039	0	43	-1.0	-50.42	358.89	2.46	-47.96
CC1=CC=C(C)C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)=C1	REAL300025577040	0	44	-1.0	-44.65	372.77	3.83	-40.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CC=C3)C(=O)C2=C1	REAL300025577041	0	44	-1.0	-50.24	390.89	4.83	-45.41
CC1=CC=CC(C(=O)NC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577042	0	40	-1.0	-46.15	343.24	1.55	-44.60
CC(OC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577043	0	34	-1.0	-48.37	314.78	3.35	-45.02
CC12CC3CC(C)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025577044	0	47	-1.0	-45.24	348.45	4.46	-40.78
O=C(COC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577045	0	33	-1.0	-51.85	305.05	2.78	-49.07
CC1=CC(C)=C2C(=N1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2N1C=CC=C1	REAL300025577046	0	43	-1.0	-47.41	372.27	5.44	-41.97
O=C(CCNC(=O)C1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577047	0	34	-1.0	-56.41	315.74	-0.42	-56.83
O=C(CCCNC(=O)C1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577048	0	37	-1.0	-50.05	337.24	0.38	-49.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL300025577049	0	30	-1.0	-44.09	288.81	3.01	-41.08
O=C(CNC(=O)C1=CC=C(Br)O1)NCCC1=NC(=O)O[N-]1	REAL300025577050	0	31	-1.0	-45.61	308.19	-1.24	-46.85
O=C(CCN1C=NC2=C(C3=C(CCCC3)S2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577051	0	45	-1.0	-52.69	385.97	4.90	-47.79
CC1=NC(C)=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025577052	0	38	-1.0	-53.69	326.80	0.20	-53.49
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577053	0	39	-1.0	-47.56	331.36	4.06	-43.50
CC1=CC=C(OCC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025577054	0	43	-1.0	-56.15	384.62	3.36	-52.79
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577055	0	39	-1.0	-53.39	351.51	-1.30	-54.69
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577056	0	39	-1.0	-67.89	354.12	-1.47	-69.36
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577057	0	39	-1.0	-49.48	340.10	0.57	-48.91
O=C(CCCNC1=NS(=O)(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577058	0	42	-1.0	-58.89	375.62	-0.66	-59.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=C(F)C=C2)C1	REAL300025577059	0	44	-1.0	-47.97	365.52	3.36	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2)C1	REAL300025577060	0	41	-1.0	-49.00	352.24	3.13	-45.87
CC1=C(C)C2=C(SCC(=O)NCCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025577061	0	38	-1.0	-47.03	348.82	3.19	-43.84
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2CN1C(=O)C1=CC=CC=C1	REAL300025577062	0	48	-1.0	-53.13	396.64	7.00	-46.13
O=C(NCCC1=NC(=O)O[N-]1)C1=NNC(=O)C2=CC=CC=C21	REAL300025577063	0	32	-1.0	-43.41	286.84	-0.60	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300025577064	0	31	-1.0	-44.25	299.69	2.87	-41.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025577065	0	27	-1.0	-47.65	259.57	2.16	-45.49
O=C(COC1=CC=CC(N2CCCC2=O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577066	0	42	-1.0	-63.85	354.14	3.22	-60.63
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1Br	REAL300025577067	0	35	-1.0	-45.42	321.74	0.86	-44.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)C=C1	REAL300025577068	0	31	-1.0	-43.58	299.53	2.99	-40.59
CC1=NN(CC(C)C)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577069	0	48	-1.0	-47.80	392.88	4.20	-43.60
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025577070	0	39	-1.0	-57.72	339.71	4.21	-53.51
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC(N)=O	REAL300025577071	0	43	-1.0	-54.11	373.68	-1.48	-55.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1	REAL300025577072	0	42	-1.0	-52.75	368.66	3.87	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1F	REAL300025577073	0	27	-1.0	-47.97	269.14	2.24	-45.73
CC1=C(C(C)C)C=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025577074	0	45	-1.0	-51.04	373.36	5.04	-46.00
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)NCCC1=NC(=O)O[N-]1	REAL300025577075	0	39	-1.0	-52.83	337.25	4.67	-48.16
O=C(COC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025577076	0	31	-1.0	-50.97	313.99	3.26	-47.71
O=C(COC1=CC=C(F)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025577077	0	31	-1.0	-51.37	303.67	2.81	-48.56
O=C(COC1=CC=C(I)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577078	0	31	-1.0	-48.65	304.63	3.21	-45.44
O=C(COC1=CC=C(Br)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577079	0	31	-1.0	-52.73	304.37	2.79	-49.94
CC(C)C1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577080	0	40	-1.0	-50.01	335.46	4.08	-45.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300025577081	0	44	-1.0	-47.87	382.17	5.23	-42.64
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025577082	0	48	-1.0	-47.08	393.89	7.47	-39.61
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025577083	0	44	-1.0	-48.00	367.13	3.38	-44.62
O=C(CCNC(=O)C1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577084	0	37	-1.0	-54.93	345.69	1.29	-53.64
O=C(CCNS(=O)(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577085	0	38	-1.0	-52.30	344.07	-1.43	-53.73
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C(F)C=CC=C12	REAL300025577086	0	33	-1.0	-45.39	298.72	2.67	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300025577087	0	35	-1.0	-53.90	312.07	2.37	-51.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2CCS(=O)(=O)N=C2C=C1	REAL300025577088	0	35	-1.0	-57.18	315.24	-1.07	-58.25
O=C(CCC(=O)C1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025577089	0	32	-1.0	-44.15	317.44	2.56	-41.59
COC1=CC=C(Br)C=C1C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577090	0	39	-1.0	-47.43	358.16	4.02	-43.41
CC1=NN(C2=CC=C(Cl)C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C(C)=C1	REAL300025577091	0	39	-1.0	-45.30	354.48	3.97	-41.33
O=C(CNC(=O)CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577092	0	37	-1.0	-46.38	326.89	0.71	-45.67
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577093	0	42	-1.0	-53.09	375.98	-0.25	-53.34
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577094	0	42	-1.0	-50.04	369.78	-2.12	-52.16
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577095	0	41	-1.0	-49.67	361.70	-0.74	-50.41
CS(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577096	0	35	-1.0	-50.73	320.58	-1.84	-52.57
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OC(C)C2	REAL300025577097	0	39	-1.0	-47.30	329.79	1.45	-45.85
CC(SC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577098	0	34	-1.0	-45.53	326.94	3.91	-41.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(C(F)(F)F)C=N2)C=C1	REAL300025577099	0	40	-1.0	-47.67	369.02	2.91	-44.76
CSC1=CC=C([N+](=O)[O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577100	0	33	-1.0	-54.38	307.80	4.25	-50.13
CC1OC2=CC=CC=C2N(CCC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025577101	0	42	-1.0	-48.34	355.76	2.13	-46.21
C=CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025577102	0	42	-1.0	-45.96	357.91	2.81	-43.15
CNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577103	0	35	-1.0	-54.18	319.89	-2.30	-56.48
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577104	0	38	-1.0	-54.08	344.91	-1.39	-55.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025577105	0	41	-2.0	-92.26	371.66	1.49	-90.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025577105	1	41	-2.0	-92.26	371.66	1.49	-90.77
CC1=CC=C(SCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025577106	0	47	-1.0	-49.23	404.81	7.67	-41.56
O=C(CN1C(=O)OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577107	0	33	-1.0	-56.14	301.39	2.10	-54.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1	REAL300025577108	0	38	-1.0	-52.56	331.85	2.89	-49.67
CC(C)CCSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025577109	0	45	-1.0	-51.99	388.89	6.00	-45.99
CC1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025577110	0	37	-1.0	-44.75	319.87	3.77	-40.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025577111	0	46	-1.0	-55.81	398.34	4.88	-50.93
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577112	0	44	-1.0	-53.69	367.78	5.11	-48.58
CCN1N=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025577113	0	35	-1.0	-52.55	309.03	0.87	-51.68
CC1=CC=CC=C1C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577114	0	47	-1.0	-51.75	399.09	6.86	-44.89
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)NCCC1=NC(=O)O[N-]1	REAL300025577115	0	41	-1.0	-56.74	355.40	2.28	-54.46
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577116	0	44	-1.0	-55.04	384.60	6.26	-48.78
O=C(CCC1=NC(C2=CC=CS2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025577117	0	35	-1.0	-47.56	331.13	0.66	-46.90
COC1=CC=C(Cl)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577118	0	34	-1.0	-47.68	312.97	2.09	-45.59
COC1=CC=C(C23CC4CC(CC(C(=O)NCCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025577119	0	55	-1.0	-48.32	409.96	5.91	-42.41
CC1=NC(C2=CNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025577120	0	34	-1.0	-54.11	317.64	0.76	-53.35
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577121	0	42	-1.0	-46.51	369.09	3.57	-42.94
COC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025577122	0	41	-1.0	-47.14	369.21	1.56	-45.58
O=C(CN1C2=CC=CC=C2N=C1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577123	0	46	-1.0	-54.19	388.83	6.33	-47.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CN3C=CC=CC3=N2)C=C1	REAL300025577124	0	44	-1.0	-53.40	380.37	5.35	-48.05
O=C(CCC1=CN(C2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025577125	0	40	-1.0	-49.04	348.16	4.21	-44.83
O=C(CCCC1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025577126	0	33	-1.0	-47.79	322.73	3.63	-44.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CC3=CC=CC=C3C2=C1	REAL300025577127	0	38	-1.0	-50.54	327.51	5.65	-44.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300025577128	0	39	-1.0	-56.98	339.66	0.05	-56.93
CC1=NC(CSCC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025577129	0	33	-1.0	-51.22	318.94	1.27	-49.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300025577130	0	33	-1.0	-44.44	327.29	2.87	-41.57
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025577131	0	37	-2.0	-112.32	341.40	2.20	-110.12
CC1=NC2=NC(C(F)(F)F)=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577132	0	43	-1.0	-50.69	381.83	5.07	-45.62
O=C(CN1C(=O)NC2(CCCC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577133	0	46	-1.0	-56.21	384.15	2.03	-54.18
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577134	0	43	-1.0	-51.70	383.02	-0.93	-52.63
CC(C)(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025577135	0	52	-1.0	-46.20	393.65	4.26	-41.94
O=C(CCC(=O)C1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577136	0	44	-1.0	-47.95	372.32	2.81	-45.14
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577137	0	38	-1.0	-51.49	350.48	-1.37	-52.86
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC(C)C	REAL300025577138	0	45	-1.0	-56.79	374.59	-0.99	-57.78
COCCNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577139	0	45	-1.0	-49.92	390.37	-1.67	-51.59
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577140	0	38	-1.0	-52.93	345.80	-1.38	-54.31
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025577141	0	47	-1.0	-50.65	388.18	0.58	-50.07
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577142	0	50	-1.0	-51.72	420.29	0.89	-50.83
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577143	0	36	-1.0	-51.79	320.05	-0.26	-52.05
COC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1OC	REAL300025577144	0	44	-1.0	-54.35	390.26	2.39	-51.96
CSC1=CC=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=C1	REAL300025577145	0	42	-1.0	-51.21	362.82	3.49	-47.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC=C2S1	REAL300025577146	0	30	-1.0	-47.21	288.78	3.00	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)S1	REAL300025577147	0	34	-1.0	-45.24	313.43	4.23	-41.01
CCOC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577148	0	41	-1.0	-50.29	338.81	1.38	-48.91
CC1=NN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577149	0	36	-1.0	-44.19	320.47	1.76	-42.43
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025577150	0	40	-1.0	-47.42	349.58	4.90	-42.52
COC1=CC=C(C)C=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025577151	0	45	-1.0	-51.60	381.26	2.82	-48.78
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Cl)C1	REAL300025577152	0	38	-1.0	-57.03	344.20	3.63	-53.40
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1	REAL300025577153	0	44	-1.0	-51.76	375.63	5.40	-46.36
CC1=CC=C(C(C)C)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577154	0	43	-1.0	-49.80	356.87	4.74	-45.06
CC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577155	0	38	-1.0	-51.45	343.45	-1.41	-52.86
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577156	0	43	-1.0	-52.25	373.41	5.36	-46.89
O=C(NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl)C1=CC=CS1	REAL300025577157	0	38	-1.0	-54.69	361.26	3.18	-51.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)SC1=NS(=O)(=O)CCN21	REAL300025577158	0	38	-1.0	-60.86	350.07	0.19	-60.67
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025577159	0	44	-1.0	-43.95	385.37	3.82	-40.13
CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577160	0	38	-1.0	-48.45	323.77	1.68	-46.77
CN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025577161	0	37	-1.0	-52.74	323.70	2.80	-49.94
CNC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025577162	0	34	-1.0	-52.87	301.01	1.20	-51.67
CCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577163	0	41	-1.0	-44.00	365.26	3.15	-40.85
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCCC(C)C	REAL300025577164	0	47	-1.0	-43.85	404.33	4.45	-39.40
CC1=CC=CC(NC(=O)CSCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577165	0	41	-1.0	-59.01	367.39	2.53	-56.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=N2)C=C1	REAL300025577166	0	32	-1.0	-53.70	291.45	1.73	-51.97
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577167	0	45	-1.0	-56.76	400.14	-2.54	-59.30
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577168	0	49	-1.0	-45.38	397.95	3.21	-42.17
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577169	0	45	-1.0	-63.41	398.68	-1.17	-64.58
O=C(CSC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577170	0	37	-1.0	-50.89	330.94	1.82	-49.07
NS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577171	0	38	-1.0	-51.67	343.51	-2.01	-53.68
CNS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577172	0	41	-1.0	-50.84	365.94	-0.80	-51.64
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300025577173	0	44	-1.0	-55.07	363.87	0.56	-54.51
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025577174	0	38	-1.0	-45.83	356.95	2.18	-43.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=C(F)C=C1	REAL300025577175	0	35	-1.0	-56.75	333.08	4.10	-52.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=S)N1C1=CC=CC=C1	REAL300025577176	0	35	-1.0	-57.99	326.60	4.03	-53.96
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577177	0	36	-2.0	-101.09	349.90	4.27	-96.82
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577177	1	36	-2.0	-101.09	349.90	4.27	-96.82
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577178	0	39	-2.0	-105.36	354.57	4.43	-100.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577178	1	39	-2.0	-105.36	354.57	4.43	-100.93
CCCC1=NNC(=S)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577179	0	35	-2.0	-103.29	324.53	2.80	-100.49
CCCC1=N[N-]C(=S)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577179	1	35	-2.0	-103.29	324.53	2.80	-100.49
COC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577180	0	40	-2.0	-104.69	362.61	3.06	-101.63
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577180	1	40	-2.0	-104.69	362.61	3.06	-101.63
O=C(CCN1C(=S)NN=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577181	0	36	-2.0	-93.02	346.50	3.43	-89.59
O=C(CCN1C(=S)[N-]N=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577181	1	36	-2.0	-93.02	346.50	3.43	-89.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025577182	0	30	-1.0	-45.49	302.19	1.37	-44.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300025577183	0	33	-1.0	-44.79	316.97	2.42	-42.37
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(N)=O	REAL300025577184	0	39	-1.0	-58.93	340.50	-1.29	-60.22
O=C(CC1=CSC(C2=CSC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577185	0	33	-1.0	-52.27	322.62	2.10	-50.17
CC1=CC2=CC=CC=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577186	0	37	-1.0	-51.21	320.17	4.13	-47.08
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577187	0	40	-1.0	-48.78	352.76	-2.56	-51.34
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577188	0	42	-1.0	-54.35	349.67	5.33	-49.02
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577189	0	44	-1.0	-51.82	350.34	4.17	-47.65
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577190	0	43	-1.0	-58.92	376.31	4.30	-54.62
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577191	0	47	-1.0	-54.61	394.94	0.33	-54.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2SC=CN2C1=O	REAL300025577192	0	29	-1.0	-51.62	276.88	0.84	-50.78
COC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025577193	0	37	-1.0	-45.59	340.00	1.66	-43.93
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C(N=CN(C)C2=O)O1	REAL300025577194	0	35	-1.0	-60.10	316.64	-0.13	-60.23
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025577195	0	39	-1.0	-59.51	350.74	4.40	-55.11
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577196	0	36	-1.0	-48.38	339.15	3.02	-45.36
CC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025577197	0	39	-1.0	-51.50	334.17	3.78	-47.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCCC2)S1	REAL300025577198	0	40	-1.0	-44.76	324.60	4.04	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1CC2	REAL300025577199	0	38	-1.0	-45.76	337.31	5.32	-40.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1OC2	REAL300025577200	0	36	-1.0	-46.39	328.67	3.49	-42.90
CCCC1=C(CC)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025577201	0	39	-1.0	-44.46	338.31	4.14	-40.32
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025577202	0	46	-1.0	-44.71	368.15	5.21	-39.50
CC1=C(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025577203	0	37	-1.0	-50.24	316.83	2.80	-47.44
CCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577204	0	38	-1.0	-44.17	343.76	2.35	-41.82
CSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025577205	0	33	-1.0	-53.08	306.87	3.06	-50.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NC3=CC=CC=C3N2)C=C1	REAL300025577206	0	44	-1.0	-50.48	394.34	5.39	-45.09
CC1=CSC(SCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025577207	0	40	-1.0	-50.08	372.85	4.10	-45.98
N#CC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577208	0	36	-1.0	-53.50	342.84	-1.69	-55.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300025577209	0	33	-1.0	-50.45	317.14	-0.52	-50.97
CCOC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025577210	0	40	-1.0	-49.54	348.01	2.20	-47.34
O=C(CCN1C(=O)C2CCCCC2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577211	0	43	-1.0	-49.48	356.96	1.89	-47.59
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2CC=CCC2C1=O	REAL300025577212	0	50	-1.0	-49.91	400.68	5.36	-44.55
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577213	0	46	-1.0	-43.09	392.51	3.87	-39.22
O=C(CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577214	0	46	-1.0	-49.64	391.92	6.57	-43.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)S1	REAL300025577215	0	37	-1.0	-44.91	316.35	3.77	-41.14
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577216	0	43	-1.0	-45.06	366.11	2.80	-42.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300025577217	0	44	-1.0	-49.37	384.19	6.32	-43.05
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OC	REAL300025577218	0	35	-1.0	-44.24	321.91	1.40	-42.84
O=C(CSCC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577219	0	34	-1.0	-49.39	318.77	3.66	-45.73
N#CC1=CC=CC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577220	0	36	-1.0	-55.93	342.87	-1.69	-57.62
CC1=CC=CC(CSCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577221	0	37	-1.0	-49.04	333.76	4.26	-44.78
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025577222	0	47	-1.0	-46.21	394.14	4.34	-41.87
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1)C1=CC=CC=C1	REAL300025577223	0	41	-1.0	-48.73	358.95	5.89	-42.84
O=C(COC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577224	0	37	-1.0	-52.27	322.86	4.38	-47.89
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CS1	REAL300025577225	0	38	-1.0	-57.30	333.58	1.69	-55.61
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N+](=O)[O-])CC1	REAL300025577226	0	47	-1.0	-52.14	386.95	5.37	-46.77
CC1=CC(=O)OC2=CC(OCC(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025577227	0	39	-1.0	-61.44	342.67	4.18	-57.26
O=C(CCN1C2=CC=CC=C2SC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577228	0	44	-1.0	-48.05	374.36	6.09	-41.96
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577229	0	43	-1.0	-43.25	360.83	2.32	-40.93
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577230	0	40	-1.0	-46.20	337.56	3.37	-42.83
O=C(CCSC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577231	0	34	-1.0	-45.53	323.13	3.93	-41.60
O=C(COC1=CC=C(Br)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577232	0	31	-1.0	-51.01	314.17	3.26	-47.75
CC(C)(OC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577233	0	37	-1.0	-47.59	309.82	3.05	-44.54
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2F)C1	REAL300025577234	0	38	-1.0	-60.80	336.09	2.95	-57.85
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577235	0	36	-1.0	-49.05	333.18	3.82	-45.23
CC1(C2CC2)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025577236	0	39	-1.0	-52.32	337.64	0.18	-52.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC2=CC=CC=C21	REAL300025577237	0	32	-1.0	-44.28	296.35	2.34	-41.94
CC(C)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577238	0	40	-1.0	-48.88	336.24	3.25	-45.63
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCC2)C1	REAL300025577239	0	41	-1.0	-47.64	331.28	1.88	-45.76
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577240	0	46	-1.0	-49.27	369.65	5.06	-44.21
NC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577241	0	36	-1.0	-51.11	318.42	-2.24	-53.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC2)=C1	REAL300025577242	0	38	-1.0	-49.06	330.49	2.02	-47.04
CCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025577243	0	44	-1.0	-43.81	387.12	4.07	-39.74
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025577244	0	36	-1.0	-44.09	323.03	0.85	-43.24
CC(=O)C1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025577245	0	39	-1.0	-49.98	349.49	3.77	-46.21
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577246	0	47	-1.0	-46.89	387.00	5.42	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300025577247	0	36	-1.0	-47.62	341.30	2.85	-44.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2SCCS2)C=C1	REAL300025577248	0	36	-1.0	-47.15	330.15	4.52	-42.63
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577249	0	33	-1.0	-53.04	303.95	-0.92	-53.96
CS(=O)(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577250	0	36	-1.0	-58.36	328.33	-0.27	-58.63
CCN1C(=O)C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025577251	0	39	-1.0	-53.64	337.77	1.15	-52.49
CC1=NOC(C)=C1COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577252	0	46	-1.0	-51.72	396.48	4.27	-47.45
O=C(CSCC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577253	0	34	-1.0	-49.23	329.09	4.10	-45.13
O=C(CSCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577254	0	34	-1.0	-48.83	329.09	4.11	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=CC=CC=C2)C=C1	REAL300025577255	0	41	-1.0	-47.78	364.89	6.44	-41.34
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577256	0	49	-1.0	-44.13	386.45	3.43	-40.70
CCCCCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025577257	0	50	-1.0	-43.67	415.13	4.99	-38.68
CC(C)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577258	0	43	-1.0	-46.09	355.13	3.89	-42.20
CCCCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577259	0	46	-1.0	-46.10	380.56	4.93	-41.17
COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577260	0	48	-1.0	-47.84	407.55	3.18	-44.66
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577261	0	46	-1.0	-44.71	379.06	2.96	-41.75
CC1=CC=CC=C1C(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025577262	0	46	-1.0	-44.38	373.73	3.33	-41.05
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025577263	0	48	-1.0	-50.28	410.33	-0.69	-50.97
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577264	0	44	-1.0	-52.76	380.21	0.32	-52.44
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025577265	0	47	-1.0	-49.68	382.62	0.50	-49.18
O=C(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577266	0	35	-1.0	-51.44	353.95	-1.10	-52.54
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025577267	0	36	-1.0	-52.49	332.74	3.31	-49.18
CCC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577268	0	41	-1.0	-45.10	352.43	4.29	-40.81
CCOC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025577269	0	49	-1.0	-47.59	411.84	3.91	-43.68
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL300025577270	0	42	-1.0	-49.61	318.84	0.12	-49.49
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1C	REAL300025577271	0	38	-1.0	-45.65	320.93	0.96	-44.69
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577272	0	39	-1.0	-57.10	352.58	1.33	-55.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(Br)S1	REAL300025577273	0	24	-1.0	-41.94	277.15	1.84	-40.10
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025577274	0	37	-1.0	-49.16	316.91	0.58	-48.58
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C(C#N)C(=O)N1	REAL300025577275	0	40	-1.0	-55.85	344.36	1.08	-54.77
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025577276	0	33	-1.0	-46.13	300.84	3.57	-42.56
CC1=CC=CC(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)=C1	REAL300025577277	0	39	-1.0	-53.24	353.01	3.84	-49.40
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025577278	0	31	-1.0	-48.12	293.10	1.51	-46.61
COC1=CC=C(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577279	0	43	-2.0	-91.65	382.84	3.62	-88.03
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577279	1	43	-2.0	-91.65	382.84	3.62	-88.03
CC1CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1S(C)(=O)=O	REAL300025577280	0	42	-1.0	-52.34	357.12	1.07	-51.27
O=C(CC12CC3CC(CC(O)(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025577281	0	45	-1.0	-45.40	333.60	0.78	-44.62
O=C(CCC(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577282	0	41	-1.0	-46.40	355.58	5.11	-41.29
C#CCNS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577283	0	37	-1.0	-55.00	346.70	-0.96	-55.96
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025577284	0	48	-1.0	-51.32	402.93	2.08	-49.24
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025577285	0	35	-1.0	-47.79	311.67	1.03	-46.76
O=C(CCC1=NC(=O)C2=C(N1)SC1=C2CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025577286	0	45	-1.0	-53.73	386.22	2.77	-50.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025577287	0	41	-1.0	-47.72	354.47	4.84	-42.88
CCCCCOC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577288	0	51	-1.0	-45.26	425.20	5.45	-39.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300025577289	0	41	-2.0	-90.39	371.84	1.49	-88.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025577289	1	41	-2.0	-90.39	371.84	1.49	-88.90
O=C(CN1C=C(C(F)(F)F)C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025577290	0	33	-1.0	-53.22	310.86	1.79	-51.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300025577291	0	39	-1.0	-49.99	352.26	-0.62	-50.61
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577292	0	41	-1.0	-46.02	358.75	1.21	-44.81
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CC1	REAL300025577293	0	43	-1.0	-55.63	380.44	-0.82	-56.45
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025577294	0	40	-2.0	-109.15	372.78	0.64	-108.51
CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577295	0	35	-1.0	-50.46	319.86	-2.30	-52.76
O=C(CCN1C=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577296	0	37	-1.0	-45.64	322.14	4.21	-41.43
CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025577297	0	41	-1.0	-45.68	347.91	4.05	-41.63
O=C(CN1C=C(Br)C(=O)NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025577298	0	30	-1.0	-55.37	297.44	-1.31	-56.68
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C1C(=O)CCC2	REAL300025577299	0	37	-1.0	-54.36	312.12	1.56	-52.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300025577300	0	43	-1.0	-45.58	345.10	5.33	-40.25
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577301	0	42	-1.0	-49.78	358.51	0.71	-49.07
COC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577302	0	43	-1.0	-54.21	380.76	-2.87	-57.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2=O)=C1	REAL300025577303	0	38	-1.0	-61.69	320.58	2.65	-59.04
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCCC1=NC(=O)O[N-]1	REAL300025577304	0	39	-1.0	-54.80	351.77	3.23	-51.57
O=C(CCN1C(=O)C2=CC=CC=C2NC1=S)NCCC1=NC(=O)O[N-]1	REAL300025577304	1	39	-1.0	-54.80	351.77	3.23	-51.57
COC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025577305	0	40	-1.0	-45.62	356.59	2.37	-43.25
CC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025577306	0	44	-1.0	-48.47	390.62	6.71	-41.76
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577307	0	42	-1.0	-52.20	352.93	3.65	-48.55
CCS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577308	0	41	-1.0	-50.44	345.40	-0.90	-51.34
O=C(CC1=CSC(N2CCCC2=O)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577309	0	37	-1.0	-60.33	335.95	1.67	-58.66
O=C(CCCN1C(=O)OC2=CC([N+](=O)[O-])=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577310	0	41	-1.0	-57.67	372.09	3.98	-53.69
COC1=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)F	REAL300025577311	0	42	-1.0	-48.85	370.64	-0.49	-49.34
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025577312	0	38	-1.0	-48.81	339.35	0.86	-47.95
CN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577313	0	45	-1.0	-51.52	397.75	-1.98	-53.50
CC(C)(C)OC(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577314	0	40	-1.0	-51.95	334.43	-1.03	-52.98
O=C(CN1C2=CC=CC=C2OCCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025577315	0	39	-1.0	-56.65	333.79	1.68	-54.97
CC(C)CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577316	0	42	-1.0	-46.61	349.08	4.90	-41.71
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577317	0	43	-1.0	-53.64	363.27	4.29	-49.35
CC1=CC=NN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577318	0	37	-1.0	-49.87	320.53	3.14	-46.73
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577319	0	44	-1.0	-50.72	365.27	1.78	-48.94
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300025577320	0	44	-1.0	-56.05	367.66	4.66	-51.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NC2=CC=CC=C21	REAL300025577321	0	42	-1.0	-47.25	363.23	5.65	-41.60
CC(C)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577322	0	40	-1.0	-46.16	336.17	3.27	-42.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1	REAL300025577323	0	39	-1.0	-49.37	339.92	4.80	-44.57
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025577324	0	35	-1.0	-44.21	308.07	0.99	-43.22
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577325	0	37	-1.0	-51.55	334.16	1.80	-49.75
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577326	0	44	-1.0	-45.12	380.23	2.74	-42.38
CCOC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025577327	0	50	-1.0	-44.52	405.75	2.54	-41.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=CC=C21	REAL300025577328	0	33	-1.0	-46.24	290.10	0.62	-45.62
O=C(CCCC1=NC2=CC=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025577329	0	38	-1.0	-52.84	342.49	3.23	-49.61
O=C(CCC(=O)C1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577330	0	41	-1.0	-48.10	353.99	2.01	-46.09
CC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1C1=CC=CC=C1	REAL300025577331	0	43	-1.0	-52.81	372.04	6.09	-46.72
CCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025577332	0	38	-1.0	-44.07	329.14	1.90	-42.17
CC(=O)CCC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025577333	0	44	-1.0	-47.17	379.76	4.75	-42.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025577334	0	33	-1.0	-42.26	313.58	3.25	-39.01
CC1=CC=C(S(=O)(=O)NC(CC(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577335	0	50	-1.0	-55.48	415.25	1.59	-53.89
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577336	0	38	-1.0	-49.44	351.40	0.05	-49.39
O=C(CC1=CSC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577337	0	36	-1.0	-53.35	331.61	3.17	-50.18
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1	REAL300025577338	0	41	-1.0	-63.57	354.93	-0.62	-64.19
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577339	0	36	-1.0	-53.38	331.99	-2.11	-55.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025577340	0	41	-2.0	-98.84	371.84	1.49	-97.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025577340	1	41	-2.0	-98.84	371.84	1.49	-97.35
CC(C)(C)C1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(C(C)(C)C)=C1O	REAL300025577341	0	58	-1.0	-45.33	439.86	5.73	-39.60
CSCCC(NC(=O)C1=CC=CO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577342	0	41	-1.0	-46.39	364.45	0.74	-45.65
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577343	0	38	-1.0	-50.81	360.80	-0.91	-51.72
CCCCOC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025577344	0	47	-1.0	-43.73	408.61	4.86	-38.87
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025577345	0	38	-1.0	-54.70	333.83	1.04	-53.66
CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577346	0	50	-1.0	-45.52	406.79	3.63	-41.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC1=CC=CC=C1	REAL300025577347	0	43	-1.0	-47.41	358.49	6.73	-40.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NN1C1=CC=CC=C1	REAL300025577348	0	44	-1.0	-45.63	378.52	6.77	-38.86
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577349	0	46	-1.0	-45.21	368.52	3.21	-42.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025577350	0	24	-1.0	-42.33	257.09	1.28	-41.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300025577351	0	43	-1.0	-50.20	371.62	-0.90	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300025577352	0	45	-1.0	-48.98	380.37	1.54	-47.44
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577353	0	44	-1.0	-49.36	379.99	1.26	-48.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCCCC2)C=C1	REAL300025577354	0	48	-1.0	-49.45	394.66	2.44	-47.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1=O	REAL300025577355	0	32	-1.0	-48.33	290.14	3.00	-45.33
CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025577356	0	41	-1.0	-48.37	345.63	2.58	-45.79
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(Cl)(C3)C1)C2	REAL300025577357	0	41	-1.0	-46.94	324.10	3.93	-43.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC3=CC=CC=C3S2)S1	REAL300025577358	0	36	-1.0	-46.64	349.27	3.89	-42.75
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577359	0	38	-1.0	-49.74	338.75	-0.46	-50.20
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025577360	0	34	-1.0	-48.97	312.30	3.21	-45.76
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CO1	REAL300025577361	0	41	-1.0	-58.89	358.05	2.46	-56.43
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025577362	0	44	-1.0	-46.65	343.37	4.68	-41.97
CSCCC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025577363	0	44	-1.0	-54.92	391.70	4.94	-49.98
CC1=CC=C(C23CC4CC(CC(C(=O)NCCC5=NC(=O)O[N-]5)(C4)C2)C3)C=C1	REAL300025577364	0	54	-1.0	-45.90	401.90	7.30	-38.60
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577365	0	44	-1.0	-51.13	376.32	6.59	-44.54
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577366	0	40	-1.0	-56.40	364.77	-1.59	-57.99
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577367	0	42	-1.0	-52.24	348.31	0.27	-51.97
CC1CCC2(CC1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025577368	0	45	-1.0	-53.11	364.32	0.53	-52.58
CC1=CC=C(C2(C)NC(=O)N(CC(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025577369	0	45	-1.0	-54.24	384.46	1.91	-52.33
CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025577370	0	48	-1.0	-51.83	387.27	1.54	-50.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC=N2)C([N+](=O)[O-])=C1	REAL300025577371	0	35	-1.0	-61.29	320.07	5.16	-56.13
O=C(CN1C=NC2=C(C=C(C3=CC=CC=C3)S2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577372	0	42	-1.0	-58.68	381.09	5.46	-53.22
CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025577373	0	35	-1.0	-45.39	322.23	2.75	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C2OCOC2=C1	REAL300025577374	0	30	-1.0	-45.30	286.08	0.73	-44.57
O=C(CC1=CSC(NC(=O)C2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577375	0	37	-1.0	-53.61	355.52	1.47	-52.14
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577376	0	37	-1.0	-54.83	347.63	0.48	-54.35
CC1=NC2=CC=CC=C2C(=O)N1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577377	0	45	-1.0	-51.82	389.52	5.55	-46.27
CCOC1=CC=C(NC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577378	0	45	-1.0	-48.58	377.00	4.31	-44.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1Br	REAL300025577379	0	27	-1.0	-44.48	265.98	2.23	-42.25
CN(C)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577380	0	41	-1.0	-46.45	341.84	3.45	-43.00
CC1=NOC(C)=C1S(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577381	0	37	-1.0	-52.21	335.20	-3.11	-55.32
CC(C)(C)OC(=O)NCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577382	0	43	-1.0	-48.44	355.93	-0.22	-48.66
CON(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577383	0	39	-1.0	-50.37	350.40	-0.48	-50.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN1	REAL300025577384	0	25	-1.0	-47.06	252.11	-0.04	-47.10
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025577385	0	38	-1.0	-48.66	340.87	-1.01	-49.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=C(C=CC=C1)S2	REAL300025577386	0	33	-1.0	-45.58	320.02	4.45	-41.13
O=C(CCC1=NC(C2=CSC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025577387	0	35	-1.0	-47.20	330.43	0.55	-46.65
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)NCCC1=NC(=O)O[N-]1	REAL300025577388	0	38	-1.0	-54.15	342.90	1.60	-52.55
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577389	0	47	-1.0	-48.69	391.20	1.99	-46.70
O=C(CCC1=C(C2=CC=C(F)C=C2)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577390	0	47	-1.0	-47.71	404.35	6.51	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300025577391	0	37	-1.0	-47.63	329.76	3.16	-44.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300025577392	0	44	-1.0	-46.42	387.51	7.64	-38.78
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577393	0	39	-1.0	-52.05	328.83	1.73	-50.32
CCOC1=CC=C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577394	0	45	-1.0	-52.06	395.43	-1.21	-53.27
O=C(CSC1=CC=C2CCC3=C2C1=CC=C3)NCCC1=NC(=O)O[N-]1	REAL300025577395	0	41	-1.0	-50.98	354.58	5.97	-45.01
CCOC1=CC=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577396	0	42	-1.0	-52.03	373.38	-1.85	-53.88
CCOC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577397	0	38	-1.0	-44.07	348.11	2.47	-41.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300025577398	0	44	-1.0	-53.14	384.90	5.05	-48.09
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025577399	0	44	-1.0	-52.99	377.28	3.89	-49.10
O=C(CC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577400	0	36	-1.0	-51.11	312.43	1.38	-49.73
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577401	0	41	-1.0	-50.47	358.14	-0.51	-50.98
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577402	0	44	-1.0	-53.14	380.22	0.13	-53.01
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300025577403	0	45	-1.0	-47.62	377.51	6.22	-41.40
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C)N=C2C=C1	REAL300025577404	0	38	-1.0	-47.72	322.43	3.18	-44.54
CC1=CC=C2C(=O)N(CC(=O)NCCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025577405	0	37	-1.0	-54.34	334.53	2.07	-52.27
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577406	0	44	-1.0	-57.90	364.73	2.35	-55.55
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577407	0	57	-1.0	-42.77	419.25	4.22	-38.55
COC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025577408	0	47	-1.0	-44.63	383.83	1.57	-43.06
CCOC1=CC=CC=C1C(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025577409	0	50	-1.0	-47.85	406.81	3.97	-43.88
CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577410	0	38	-1.0	-45.33	330.95	3.53	-41.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC=C1	REAL300025577411	0	39	-1.0	-48.18	332.04	4.06	-44.12
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300025577412	0	50	-1.0	-57.18	405.61	5.65	-51.53
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300025577413	0	50	-1.0	-50.80	404.98	5.58	-45.22
CC(C)(C)OC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025577414	0	47	-1.0	-45.90	372.13	2.45	-43.45
COC1=CC(OC)=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577415	0	41	-1.0	-47.83	348.33	1.63	-46.20
CCOC1=CC=CC=C1C(=O)NCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577416	0	47	-1.0	-53.36	395.08	2.94	-50.42
O=C(CCC1=CC=C(C2=CC=CC=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025577417	0	40	-1.0	-50.62	357.98	5.02	-45.60
CC(=O)C1=C(C)OC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577418	0	38	-1.0	-47.71	331.97	2.47	-45.24
CC1=CC=C(CN2N=CC3=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C(C)N=C32)C=C1	REAL300025577419	0	48	-1.0	-49.25	410.02	5.78	-43.47
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300025577420	0	49	-1.0	-48.17	416.86	4.68	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(Br)C=C12	REAL300025577421	0	31	-1.0	-55.21	297.00	2.14	-53.07
COCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025577422	0	36	-1.0	-44.25	320.97	-1.34	-45.59
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577423	0	43	-1.0	-52.82	372.41	1.46	-51.36
CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025577424	0	51	-1.0	-52.86	401.27	1.62	-51.24
O=C(CSC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577425	0	31	-1.0	-49.76	301.46	3.13	-46.63
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)N=C1	REAL300025577426	0	33	-1.0	-44.48	302.28	1.16	-43.32
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025577427	0	45	-1.0	-47.43	377.66	4.24	-43.19
CC(C)[C@H](NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577428	0	45	-1.0	-51.73	383.25	0.04	-51.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2S1	REAL300025577429	0	32	-1.0	-45.90	310.45	3.60	-42.30
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025577430	0	51	-1.0	-55.09	389.21	2.60	-52.49
CCC1=C(C(=O)OC)C(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025577431	0	40	-1.0	-49.14	347.81	2.02	-47.12
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577432	0	43	-1.0	-48.33	382.78	4.45	-43.88
CCOC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025577433	0	40	-1.0	-44.37	343.71	2.84	-41.53
CC(C)CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025577434	0	44	-1.0	-43.58	364.80	3.17	-40.41
CCCCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C1=O	REAL300025577435	0	47	-1.0	-43.64	393.64	4.21	-39.43
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1	REAL300025577436	0	44	-1.0	-52.47	367.15	1.62	-50.85
O=C(CCCNC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577437	0	40	-1.0	-50.25	345.91	1.47	-48.78
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025577438	0	42	-1.0	-46.92	363.71	4.52	-42.40
COC1=CC=C(C(C)=O)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577439	0	39	-1.0	-53.26	338.78	2.07	-51.19
O=C(CC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577440	0	40	-1.0	-47.60	330.63	4.71	-42.89
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CC=C3)N=C21	REAL300025577441	0	48	-1.0	-48.04	404.67	5.84	-42.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NN1C1=CC=CC=C1	REAL300025577442	0	41	-1.0	-47.38	351.93	4.61	-42.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300025577443	0	39	-1.0	-52.86	352.29	-0.63	-53.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025577444	0	47	-1.0	-52.73	403.44	6.72	-46.01
O=C(CCNC(=O)C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577445	0	34	-1.0	-54.79	316.55	-0.33	-55.12
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=C1C(=O)N(C)C=N2	REAL300025577446	0	35	-1.0	-54.01	315.72	2.05	-51.96
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577447	0	39	-2.0	-105.68	354.60	4.42	-101.26
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577447	1	39	-2.0	-105.68	354.60	4.42	-101.26
O=C(CN1C(=S)NN=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577448	0	33	-2.0	-103.15	326.12	2.92	-100.23
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577448	1	33	-2.0	-103.15	326.12	2.92	-100.23
CCOC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577449	0	38	-1.0	-51.31	332.24	0.69	-50.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300025577450	0	45	-1.0	-50.74	387.88	1.44	-49.30
O=C(CCNC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025577451	0	40	-1.0	-45.92	367.47	3.07	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025577452	0	38	-1.0	-45.99	331.93	4.40	-41.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025577453	0	30	-1.0	-51.20	273.47	2.58	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025577454	0	30	-1.0	-44.47	282.01	2.54	-41.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025577455	0	30	-1.0	-47.87	282.35	2.55	-45.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300025577456	0	29	-1.0	-54.02	284.28	3.71	-50.31
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OCC)=C1OCC	REAL300025577457	0	48	-1.0	-46.43	400.66	3.47	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025577458	0	27	-1.0	-44.12	271.08	2.64	-41.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=CC=C(C(F)(F)F)C=C1	REAL300025577459	0	40	-1.0	-47.50	356.26	6.11	-41.39
O=C(CCCOC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577460	0	37	-1.0	-50.66	352.05	3.68	-46.98
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577461	0	34	-1.0	-50.56	327.05	3.73	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300025577462	0	27	-1.0	-45.70	272.55	2.56	-43.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025577463	0	27	-1.0	-42.54	275.18	2.51	-40.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)C3=CC=CC=C3S(=O)(=O)C2=C1	REAL300025577464	0	40	-1.0	-54.94	363.79	1.31	-53.63
O=C(CCCC1=CNC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025577465	0	40	-1.0	-51.18	342.74	3.86	-47.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025577466	0	27	-1.0	-46.84	264.60	2.15	-44.69
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577467	0	44	-1.0	-53.04	380.06	1.25	-51.79
O=C(CC12CC3CC(CC(C3)C1)C2)NCCC1=NC(=O)O[N-]1	REAL300025577468	0	44	-1.0	-45.20	322.87	4.12	-41.08
CC1=CC=CC(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025577469	0	46	-1.0	-44.69	375.80	2.90	-41.79
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025577470	0	41	-1.0	-48.17	341.68	2.28	-45.89
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577471	0	40	-1.0	-48.90	362.63	1.99	-46.91
O=C(CN1C(=O)C2CCCCC2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577472	0	40	-1.0	-51.50	335.93	1.48	-50.02
CCC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577473	0	46	-1.0	-42.44	385.81	3.44	-39.00
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025577474	0	47	-1.0	-47.87	388.63	4.18	-43.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2Cl)O1	REAL300025577475	0	34	-1.0	-42.77	339.20	4.25	-38.52
COC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025577476	0	41	-1.0	-48.02	348.38	2.28	-45.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)O1	REAL300025577477	0	34	-1.0	-45.78	323.92	3.85	-41.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCCC2)C=CS1	REAL300025577478	0	42	-1.0	-59.26	362.04	1.58	-57.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=C(F)C=C2)=N1	REAL300025577479	0	47	-1.0	-47.98	380.34	5.42	-42.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=CN=C2)=C1	REAL300025577480	0	40	-1.0	-59.37	350.07	1.79	-57.58
CSC1=NC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025577481	0	29	-1.0	-42.80	291.26	0.67	-42.13
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577482	0	46	-1.0	-49.52	387.41	0.93	-48.59
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300025577483	0	37	-1.0	-55.14	338.37	2.39	-52.75
CC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025577484	0	40	-1.0	-49.42	354.21	4.35	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1	REAL300025577485	0	36	-1.0	-43.29	329.70	2.16	-41.13
COC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025577486	0	39	-1.0	-46.63	330.23	1.89	-44.74
O=C(COC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577487	0	48	-1.0	-58.01	393.65	4.28	-53.73
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577488	0	35	-1.0	-47.05	325.46	-2.42	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025577489	0	33	-1.0	-48.90	310.42	0.62	-48.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)NC2=C1	REAL300025577489	1	33	-1.0	-48.90	310.42	0.62	-48.28
CC1CN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)CC(C)O1	REAL300025577490	0	45	-1.0	-45.86	367.31	1.23	-44.63
O=C(CN1C=C(Br)C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025577491	0	30	-1.0	-52.99	293.39	1.42	-51.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NN1	REAL300025577492	0	34	-1.0	-45.37	321.48	2.09	-43.28
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025577493	0	37	-1.0	-51.03	335.57	-0.22	-51.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300025577494	0	34	-1.0	-48.64	314.14	2.25	-46.39
CCOC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025577495	0	40	-1.0	-45.27	361.85	2.58	-42.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300025577496	0	39	-1.0	-46.71	351.89	-1.26	-47.97
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577497	0	42	-1.0	-51.29	365.98	3.28	-48.01
COC1=CC=C(C(=O)NCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577498	0	44	-1.0	-50.65	375.31	0.78	-49.87
COC1=CC=C2OCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=C1	REAL300025577499	0	39	-1.0	-46.39	327.40	1.35	-45.04
O=C(CNS(=O)(=O)C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577500	0	32	-1.0	-50.68	313.95	-3.07	-53.75
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577501	0	48	-1.0	-62.69	391.21	4.74	-57.95
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025577502	0	37	-1.0	-47.54	319.25	3.10	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=N1	REAL300025577503	0	33	-1.0	-47.04	316.37	1.89	-45.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1	REAL300025577504	0	40	-1.0	-47.13	357.25	4.39	-42.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1	REAL300025577505	0	41	-1.0	-52.75	346.80	3.80	-48.95
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577506	0	43	-1.0	-43.49	369.64	2.81	-40.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300025577507	0	43	-1.0	-53.72	372.70	4.42	-49.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCC3)C2=C1	REAL300025577508	0	41	-1.0	-50.21	337.97	4.02	-46.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C1C(=O)CC(C)(C)C2	REAL300025577509	0	43	-1.0	-53.38	349.41	2.48	-50.90
C=CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025577510	0	39	-2.0	-88.24	358.71	3.39	-84.85
C=CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2NC1=S	REAL300025577510	1	40	-1.0	-48.10	361.82	3.82	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300025577511	0	34	-1.0	-45.62	311.03	3.76	-41.86
O=C(CC1=NNC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577512	0	35	-1.0	-60.06	309.43	0.27	-59.79
O=C(CCC1=NC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025577513	0	36	-1.0	-48.05	315.57	1.72	-46.33
CCOC(=O)C1=C(C)N(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025577514	0	46	-1.0	-48.20	396.70	4.71	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CSC2=CC=CC=C2)C=CO1	REAL300025577515	0	38	-1.0	-47.75	345.62	4.45	-43.30
CCN1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025577516	0	40	-1.0	-56.28	349.33	3.90	-52.38
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577517	0	47	-1.0	-47.99	396.10	1.92	-46.07
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577518	0	35	-1.0	-50.06	332.41	-1.78	-51.84
CC(C)(C)C1=CC=C(C(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577519	0	49	-1.0	-55.85	400.52	2.98	-52.87
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025577520	0	40	-1.0	-47.18	338.47	5.48	-41.70
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(C)C	REAL300025577521	0	44	-1.0	-47.95	365.38	3.15	-44.80
O=C(CCC(=O)C1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577522	0	45	-1.0	-46.38	383.54	6.26	-40.12
O=C(CC(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577523	0	47	-1.0	-54.90	402.49	5.07	-49.83
O=C(NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025577524	0	44	-1.0	-45.91	386.27	3.34	-42.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025577525	0	42	-2.0	-104.39	370.52	0.21	-104.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1O	REAL300025577525	1	43	-1.0	-50.20	374.01	-0.78	-50.98
CC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025577526	0	37	-1.0	-45.67	319.24	2.77	-42.90
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CC=C1	REAL300025577527	0	45	-1.0	-49.53	383.68	4.73	-44.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300025577528	0	48	-1.0	-53.47	394.71	2.43	-51.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300025577529	0	33	-1.0	-45.27	310.57	2.35	-42.92
O=C(CCC1=CC=C(S(=O)(=O)N2CCCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577530	0	48	-1.0	-50.54	411.26	2.16	-48.38
O=C(CNC(=O)CC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577531	0	43	-1.0	-48.03	369.57	2.84	-45.19
O=C(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577532	0	35	-1.0	-51.21	344.17	-0.83	-52.04
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577532	1	34	-2.0	-98.30	344.44	-1.16	-99.46
COC1=CC=C(C2(C)NC(=O)N(CC(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025577533	0	46	-1.0	-53.06	392.57	0.53	-52.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300025577534	0	44	-1.0	-50.98	377.75	6.25	-44.73
O=C(CCN1C=NC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577535	0	38	-1.0	-52.12	334.61	3.18	-48.94
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCOCC2)C=CS1	REAL300025577536	0	40	-1.0	-59.77	354.69	-0.89	-60.66
CC1=CC(Br)=CC=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577537	0	34	-1.0	-46.36	326.24	3.87	-42.49
O=C(CCNS(=O)(=O)C1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025577538	0	48	-1.0	-52.37	406.80	1.06	-51.31
CS(=O)(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025577539	0	39	-1.0	-53.09	341.54	0.26	-52.83
CC1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025577540	0	37	-1.0	-47.46	326.36	3.92	-43.54
O=C(CCCN1C(=O)OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577541	0	39	-1.0	-57.23	343.92	3.31	-53.92
CC1CCCCN1S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577542	0	48	-1.0	-48.63	387.48	2.10	-46.53
CCOC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577543	0	44	-1.0	-50.45	370.65	2.82	-47.63
COC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025577544	0	45	-1.0	-49.08	381.23	2.14	-46.94
COC1=CC(OC)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577545	0	39	-1.0	-50.86	329.18	1.36	-49.50
O=C(CNC(=O)C1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577546	0	34	-1.0	-45.29	323.57	0.64	-44.65
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1C	REAL300025577547	0	44	-1.0	-47.62	369.99	6.37	-41.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300025577548	0	40	-1.0	-54.41	345.82	0.69	-53.72
N#CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025577549	0	42	-1.0	-50.02	355.99	2.49	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300025577550	0	41	-1.0	-48.27	358.21	4.59	-43.68
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1C=CC=C1	REAL300025577551	0	38	-1.0	-48.99	325.33	5.08	-43.91
CC1=CC(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300025577552	0	44	-1.0	-45.32	373.96	2.46	-42.86
CC1=NOC2=NC(C(C)C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577553	0	40	-1.0	-45.33	334.09	0.40	-44.93
CC1=CC(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C3C(C)=NOC3=N2)=C(C)S1	REAL300025577554	0	44	-1.0	-44.63	383.55	3.47	-41.16
CC1=NOC2=NC(C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577555	0	34	-1.0	-47.08	295.61	-0.83	-47.91
CC1=CC=C(C)N1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577556	0	41	-1.0	-45.65	351.26	5.59	-40.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C#CC2=CC=CC=C2)C=C1	REAL300025577557	0	39	-1.0	-47.25	352.22	6.72	-40.53
CC1=CC=C(C2=CN=C(CCC(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025577558	0	42	-1.0	-47.71	365.91	2.18	-45.53
O=C(CCC1=NC(=O)C2=C(N1)SC1=C2CCC1)NCCC1=NC(=O)O[N-]1	REAL300025577559	0	42	-1.0	-54.65	371.06	2.16	-52.49
CC1OC2=CC=CC=C2N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025577560	0	39	-1.0	-53.99	334.74	1.67	-52.32
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(NC(=O)C2=CC=CO2)=C1	REAL300025577561	0	38	-1.0	-49.24	348.42	1.38	-47.86
CC(NC(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577562	0	34	-1.0	-45.81	313.98	-0.12	-45.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CO2)=NN1C1=CC=CC=C1	REAL300025577563	0	41	-1.0	-46.25	362.49	4.78	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=N1	REAL300025577564	0	33	-1.0	-43.69	321.89	1.86	-41.83
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025577565	0	36	-1.0	-53.89	315.55	-2.28	-56.17
CC1=CC=C(C)N1C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577566	0	41	-1.0	-44.99	362.27	6.04	-38.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)C=C1	REAL300025577567	0	34	-1.0	-49.92	315.86	2.06	-47.86
O=C(CN1C(=O)NC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577568	0	36	-1.0	-54.38	319.05	0.11	-54.27
O=C(CN1C(COC2=CC=CC=C2)=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577569	0	47	-1.0	-59.79	404.92	5.56	-54.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300025577570	0	37	-1.0	-48.24	344.18	3.57	-44.67
CC1=NN(C)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025577571	0	33	-1.0	-46.09	306.94	1.22	-44.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NN1	REAL300025577572	0	34	-1.0	-46.23	317.11	2.23	-44.00
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(N2CCOCC2)=N1	REAL300025577573	0	48	-1.0	-53.66	391.39	2.31	-51.35
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025577573	1	47	-2.0	-95.70	390.35	1.47	-94.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300025577574	0	41	-1.0	-49.62	351.80	4.53	-45.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNC2=O)C=C1	REAL300025577575	0	37	-1.0	-52.37	315.58	0.27	-52.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)COC2=C1	REAL300025577576	0	33	-1.0	-50.05	293.96	-1.21	-51.26
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577577	0	40	-1.0	-45.58	374.80	4.08	-41.50
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025577578	0	43	-1.0	-53.02	368.50	2.52	-50.50
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025577579	0	40	-1.0	-51.98	363.38	2.45	-49.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)N=C1	REAL300025577580	0	39	-1.0	-46.22	324.94	-0.24	-46.46
CC(C)N1N=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025577581	0	38	-1.0	-46.93	330.37	2.26	-44.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C2C=NN(C(C)C)C2=N1	REAL300025577582	0	41	-1.0	-47.44	346.62	2.92	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=C(COC2=CC=CC=C2)C=CO1	REAL300025577583	0	38	-1.0	-46.16	335.99	2.89	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CS2)=C1	REAL300025577584	0	30	-1.0	-43.27	293.97	1.73	-41.54
CS(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577585	0	35	-1.0	-51.52	318.95	0.77	-50.75
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)NCCC1=NC(=O)O[N-]1)=C2C	REAL300025577586	0	45	-1.0	-55.86	379.53	4.23	-51.63
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=CC=CC=C3O2)CC1	REAL300025577587	0	44	-1.0	-51.17	365.17	0.41	-50.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2CC2)S1	REAL300025577588	0	35	-1.0	-49.53	322.49	1.13	-48.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CC(C1=CC=CC=C1)OC2=O	REAL300025577589	0	44	-1.0	-47.66	378.97	6.25	-41.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(F)C=C1	REAL300025577590	0	34	-1.0	-50.22	305.55	1.62	-48.60
CN1C=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577591	0	33	-1.0	-51.38	305.14	-4.14	-55.52
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577592	0	38	-1.0	-44.92	335.47	0.35	-44.57
CC1=NC(COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025577593	0	39	-1.0	-51.82	346.05	0.35	-51.47
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C1CC1	REAL300025577594	0	45	-1.0	-52.88	380.13	4.41	-48.47
O=C(CC1SC2=CC=C(Cl)C=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025577595	0	36	-1.0	-46.70	341.10	1.71	-44.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2)C1	REAL300025577596	0	38	-1.0	-49.02	322.12	2.47	-46.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=N1	REAL300025577597	0	33	-1.0	-43.86	317.33	1.76	-42.10
CNS(=O)(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577598	0	38	-1.0	-49.25	335.96	-1.62	-50.87
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577599	0	42	-1.0	-48.84	368.37	0.05	-48.79
CC1=NC2=CC(F)=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577600	0	35	-1.0	-47.25	307.25	2.66	-44.59
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025577601	0	34	-1.0	-49.93	309.18	0.83	-49.10
C#CCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577602	0	37	-1.0	-51.19	346.67	-0.95	-52.14
COCCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577603	0	42	-1.0	-51.19	374.27	-2.34	-53.53
CC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577604	0	44	-1.0	-49.27	377.23	0.92	-48.35
CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025577605	0	36	-1.0	-45.31	324.79	4.13	-41.18
CC1CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025577606	0	49	-1.0	-46.88	389.96	2.41	-44.47
CC1C[NH+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025577606	1	50	0.0	-78.07	396.53	4.33	-73.74
CC1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577607	0	38	-1.0	-45.54	323.67	0.57	-44.97
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(N)=O	REAL300025577608	0	39	-1.0	-51.22	360.49	-0.62	-51.84
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577609	0	39	-1.0	-61.17	336.00	4.07	-57.10
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025577610	0	33	-1.0	-44.41	300.96	1.51	-42.90
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025577611	0	37	-1.0	-53.92	319.95	4.13	-49.79
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=NN(C(C)C)C2=N1	REAL300025577612	0	41	-1.0	-48.79	349.57	2.80	-45.99
CC1=CC=CC=C1N1C=CN=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577613	0	41	-1.0	-47.79	364.65	4.96	-42.83
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C21	REAL300025577614	0	45	-1.0	-47.22	389.60	3.96	-43.26
CC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C21	REAL300025577615	0	45	-1.0	-46.45	397.47	4.90	-41.55
C=C1C2=CC=CC=C2C(=O)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577616	0	36	-1.0	-56.91	322.72	2.83	-54.08
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)NCCC1=NC(=O)O[N-]1	REAL300025577617	0	39	-1.0	-47.81	378.01	2.58	-45.23
O=C(CCC1=NC=C(C2=CC=CC=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025577618	0	39	-1.0	-48.43	352.03	1.58	-46.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCNC(=O)C2)C=C1	REAL300025577619	0	43	-1.0	-55.77	377.18	-2.41	-58.18
CS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577620	0	38	-1.0	-50.96	323.93	-1.78	-52.74
O=C(NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CS1	REAL300025577621	0	38	-1.0	-48.56	343.05	3.01	-45.55
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025577622	0	42	-1.0	-52.18	369.48	1.30	-50.88
CC1=NN(C)C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025577623	0	35	-1.0	-47.05	309.75	1.28	-45.77
O=C(CCC1CC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025577624	0	41	-1.0	-47.80	344.97	1.91	-45.89
O=C(CCCNC(=O)NC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025577625	0	48	-1.0	-50.05	388.81	0.55	-49.50
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=C(F)C=C2)N=N1	REAL300025577626	0	40	-1.0	-43.65	351.33	3.03	-40.62
O=C(COC1=CC=C(OC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577627	0	42	-1.0	-50.72	365.54	4.94	-45.78
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025577628	0	40	-1.0	-45.89	347.67	3.88	-42.01
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC(F)=CC=C21	REAL300025577629	0	35	-1.0	-52.44	310.01	0.64	-51.80
O=C(CCNC(=O)CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025577630	0	40	-1.0	-56.97	349.02	1.34	-55.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300025577631	0	37	-1.0	-50.65	309.21	4.90	-45.75
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1	REAL300025577632	0	36	-1.0	-44.78	323.32	2.09	-42.69
CN1C=CN=C1C(O)(CC(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025577633	0	37	-1.0	-46.49	319.26	-0.04	-46.53
COC1=CC=C(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577634	0	38	-1.0	-51.34	328.67	0.85	-50.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)(F)F	REAL300025577635	0	33	-1.0	-53.39	309.75	0.90	-52.49
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025577636	0	37	-1.0	-50.48	319.28	2.77	-47.71
O=C(CCC1=NC=C(C2=CC=CC=C2Cl)O1)NCCC1=NC(=O)O[N-]1	REAL300025577637	0	39	-1.0	-47.61	359.81	1.89	-45.72
O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025577638	0	39	-1.0	-46.92	361.24	2.02	-44.90
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)NCCC1=NC(=O)O[N-]1	REAL300025577639	0	39	-1.0	-49.19	359.22	1.71	-47.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2CC1=CC=CC=C1	REAL300025577640	0	42	-1.0	-47.55	369.50	4.57	-42.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300025577641	0	39	-1.0	-44.14	365.87	4.07	-40.07
O=C(CCCC1=NC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025577642	0	39	-1.0	-56.81	337.07	2.50	-54.31
O=C(NCCC1=NC(=O)O[N-]1)C1=C(S(=O)(=O)N2CCCC2)C=CS1	REAL300025577643	0	39	-1.0	-49.98	342.89	0.44	-49.54
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025577644	0	36	-1.0	-54.01	335.28	0.28	-53.73
COC1=CC=C(N2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025577645	0	40	-1.0	-44.89	346.68	1.02	-43.87
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025577646	0	39	-1.0	-53.97	344.28	1.35	-52.62
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577647	0	45	-1.0	-46.96	380.91	4.74	-42.22
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300025577648	0	33	-1.0	-43.39	318.67	3.08	-40.31
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2F)=C1	REAL300025577649	0	33	-1.0	-45.02	310.03	2.69	-42.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CC=C2)S1	REAL300025577650	0	43	-1.0	-47.43	383.95	5.95	-41.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1NC(=O)C1CC1	REAL300025577651	0	44	-1.0	-47.96	371.64	4.78	-43.18
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300025577652	0	38	-1.0	-49.84	345.39	2.38	-47.46
CCOC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025577653	0	40	-1.0	-43.59	331.23	-0.38	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CN3C=CC=CC3=N2)C=C1	REAL300025577654	0	44	-1.0	-53.54	391.71	6.90	-46.64
CC1=NC(CSC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025577655	0	40	-1.0	-48.38	371.31	4.11	-44.27
COC1=C(OC)C(OC)=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025577656	0	43	-1.0	-46.32	372.92	0.73	-45.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025577657	0	37	-1.0	-45.82	335.96	3.62	-42.20
CN1C(=O)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025577658	0	40	-1.0	-51.73	348.54	3.40	-48.33
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C(C2=CC=CO2)=C1	REAL300025577659	0	41	-1.0	-46.08	380.16	4.82	-41.26
CC1=CC=CC(COC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025577660	0	44	-1.0	-50.55	375.96	5.48	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=CC2=O)O1	REAL300025577661	0	37	-1.0	-57.18	334.64	2.49	-54.69
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C(C2=CC=CO2)=C1	REAL300025577662	0	41	-1.0	-47.93	380.17	4.81	-43.12
COC1=CC=C(Cl)C=C1C(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577663	0	45	-1.0	-54.18	384.80	3.12	-51.06
COC1=CC=CC=C1C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025577664	0	37	-1.0	-45.62	332.83	1.99	-43.63
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)C1=CC=CC=C1	REAL300025577665	0	40	-1.0	-55.57	343.76	1.81	-53.76
CC(C)C1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577666	0	40	-1.0	-50.12	337.06	4.01	-46.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)C=CS1	REAL300025577667	0	32	-1.0	-48.76	294.95	3.49	-45.27
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(COC2=CC=C(F)C=C2)=N1	REAL300025577668	0	40	-1.0	-45.84	365.70	2.68	-43.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=C1	REAL300025577669	0	33	-1.0	-47.56	296.36	3.21	-44.35
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025577670	0	39	-1.0	-47.80	344.52	1.50	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)N=N1	REAL300025577671	0	36	-1.0	-46.29	325.84	1.71	-44.58
O=C(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577672	0	39	-1.0	-51.56	370.30	4.17	-47.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NN1	REAL300025577673	0	34	-1.0	-44.73	311.15	1.65	-43.08
CC1=CC=C(C(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025577674	0	47	-1.0	-48.59	380.52	3.97	-44.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)C=C1	REAL300025577675	0	37	-1.0	-51.82	327.08	3.20	-48.62
CC(C)C1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025577676	0	47	-1.0	-46.85	400.39	3.58	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(F)=C2)=NO1	REAL300025577677	0	35	-1.0	-52.24	317.78	2.94	-49.30
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577678	0	40	-1.0	-53.94	363.41	2.45	-51.49
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)OC2=CC=CC=C21	REAL300025577679	0	36	-1.0	-60.20	314.75	2.95	-57.25
CN1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025577680	0	37	-1.0	-56.39	327.52	2.95	-53.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)F)C=C1	REAL300025577681	0	31	-1.0	-46.03	292.95	2.79	-43.24
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577682	0	43	-1.0	-56.07	385.34	-1.03	-57.10
CC1=CN2C=C(COC3=CC=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C3)N=C2C=C1	REAL300025577683	0	47	-1.0	-52.65	401.75	6.00	-46.65
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=N1	REAL300025577684	0	40	-1.0	-51.44	366.37	4.78	-46.66
COC1=CC(Br)=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577685	0	35	-1.0	-46.39	322.32	2.07	-44.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)N=C1	REAL300025577686	0	33	-1.0	-45.13	311.84	-0.34	-45.47
CC1=CC=CC2=C1N=CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025577687	0	41	-1.0	-52.14	354.76	4.01	-48.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=CC=C1	REAL300025577688	0	39	-1.0	-54.18	340.24	4.85	-49.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2CCS(=O)(=O)N=C12	REAL300025577689	0	35	-1.0	-82.30	312.85	-0.70	-83.00
CC1OC2=CC=CC=C2OC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577690	0	36	-1.0	-48.58	305.86	2.86	-45.72
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025577691	0	37	-1.0	-47.55	328.39	2.06	-45.49
CCC(C)C1=CC=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577692	0	43	-1.0	-50.06	353.91	4.73	-45.33
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577693	0	42	-1.0	-50.83	359.87	4.95	-45.88
CC1=CC=CN2C=C(COC3=CC=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C3)N=C12	REAL300025577694	0	47	-1.0	-53.21	401.81	5.95	-47.26
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025577695	0	36	-1.0	-52.30	331.12	1.48	-50.82
CC(C)(C)C1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577696	0	43	-1.0	-47.20	362.61	5.00	-42.20
CC1=CC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)SC2=C1	REAL300025577697	0	35	-1.0	-45.70	312.17	3.72	-41.98
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(F)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025577698	0	47	-1.0	-48.35	403.96	6.49	-41.86
CC1=NN(C)C2=NC(C)=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025577699	0	47	-1.0	-49.65	383.07	3.60	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300025577700	0	33	-1.0	-42.45	318.66	3.09	-39.36
CS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577701	0	35	-1.0	-51.31	316.70	-1.75	-53.06
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577702	0	42	-1.0	-46.31	354.47	3.08	-43.23
CC1=NN(C)C2=NC(C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025577703	0	38	-1.0	-47.56	325.76	1.72	-45.84
O=C(CC1=CN(C2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025577704	0	37	-1.0	-52.84	326.76	3.42	-49.42
COC1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025577705	0	42	-1.0	-47.62	369.67	0.98	-46.64
O=C(CCN1C=NC2=C(C=CS2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577706	0	35	-1.0	-52.73	325.16	2.27	-50.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300025577707	0	39	-1.0	-67.97	340.79	0.13	-67.84
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025577708	0	37	-1.0	-47.05	334.86	2.88	-44.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2NC1=O	REAL300025577709	0	33	-1.0	-49.50	292.41	0.89	-48.61
O=C(CNC(=O)C1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577710	0	34	-1.0	-46.06	313.22	0.17	-45.89
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577711	0	40	-1.0	-51.46	356.85	1.61	-49.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(F)C=C2F)CC1	REAL300025577712	0	44	-1.0	-55.27	372.69	3.49	-51.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC=N2)C=C1	REAL300025577713	0	36	-1.0	-54.13	321.83	4.63	-49.50
COC1=CC(OC)=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025577714	0	39	-1.0	-46.82	336.08	0.07	-46.75
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=NN(CC3=CC=CS3)C2=N1	REAL300025577715	0	42	-1.0	-49.14	378.84	4.20	-44.94
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NS(C)(=O)=O	REAL300025577716	0	38	-1.0	-57.58	334.36	-0.99	-58.57
O=C(CN1N=C2C=CC=CN2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577717	0	33	-1.0	-59.02	301.63	1.93	-57.09
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N1C=CC=C1	REAL300025577718	0	35	-1.0	-48.34	303.15	2.73	-45.61
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NN3N=NN=C3C=C2)CC1	REAL300025577719	0	42	-1.0	-62.35	351.62	1.41	-60.94
CC1=NOC(CSC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577720	0	40	-1.0	-53.26	357.33	4.58	-48.68
O=C(CCC1=NN=C(C2=CSC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025577721	0	35	-1.0	-48.40	330.99	-2.12	-50.52
CC1=CC=CC(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(F)(F)F)=C1	REAL300025577722	0	40	-1.0	-49.08	352.24	3.97	-45.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1	REAL300025577723	0	37	-1.0	-49.26	330.89	3.30	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=C(F)C=C2)N=C1	REAL300025577724	0	37	-1.0	-47.50	337.29	3.37	-44.13
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025577725	0	45	-1.0	-55.21	379.95	6.12	-49.09
CC1=CC=CC(C2=NN=C(C3=CC=C(C(=O)NCCC4=NC(=O)O[N-]4)C=C3)O2)=C1	REAL300025577726	0	45	-1.0	-49.88	396.90	1.91	-47.97
CC1=CC=CN2C=C(COC3=CC=CC=C3C(=O)NCCC3=NC(=O)O[N-]3)N=C12	REAL300025577727	0	47	-1.0	-55.39	399.73	7.16	-48.23
CC1=C2C(=CC=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025577728	0	33	-1.0	-46.24	309.65	3.90	-42.34
CC1=CC=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577729	0	40	-1.0	-49.63	339.37	3.37	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C(=O)CSC2=O)=C1	REAL300025577730	0	38	-1.0	-54.00	348.91	2.30	-51.70
O=C(CCCOC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577731	0	37	-1.0	-49.37	325.71	2.68	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC=CC=C2)C=C1	REAL300025577732	0	41	-1.0	-54.62	355.25	3.54	-51.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1F	REAL300025577733	0	37	-1.0	-50.18	327.54	3.28	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)N=C1	REAL300025577734	0	33	-1.0	-47.60	298.89	2.03	-45.57
CC1=CC=C(S(=O)(=O)N(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025577735	0	44	-1.0	-57.19	381.04	1.14	-56.05
N#CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577736	0	38	-1.0	-50.56	335.15	5.14	-45.42
CC1=CC(CSC2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025577737	0	39	-1.0	-54.02	355.00	3.02	-51.00
CN(C)C(=O)COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577738	0	41	-1.0	-66.56	349.33	3.35	-63.21
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025577739	0	43	-1.0	-71.35	369.65	0.23	-71.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1C1=NC2=CC=CC=C2S1	REAL300025577740	0	37	-1.0	-55.21	343.34	1.47	-53.74
CC1=NC(COC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025577741	0	40	-1.0	-51.90	357.37	3.83	-48.07
CSC1=NN2C(=N1)N=C(C)C(CC(=O)NCCC1=NC(=O)O[N-]1)=C2C	REAL300025577742	0	41	-1.0	-59.14	365.12	4.48	-54.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCCC1=O	REAL300025577743	0	38	-1.0	-53.74	323.48	3.59	-50.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CSC=N1	REAL300025577744	0	37	-1.0	-51.36	335.42	3.12	-48.24
CC1=C(CC2=CC=CC=C2)NC(SCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025577745	0	44	-1.0	-47.79	387.53	4.27	-43.52
CC1=C(CC2=CC=CC=C2)N=C(SCC(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025577745	1	44	-1.0	-48.30	391.92	4.45	-43.85
CC(C)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577746	0	40	-1.0	-45.97	337.98	4.65	-41.32
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C1CCCCC1	REAL300025577747	0	54	-1.0	-51.63	425.06	5.98	-45.65
N#CCCN1C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025577748	0	42	-1.0	-56.69	375.53	5.91	-50.78
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2=CC=CC=C2C(=O)O1	REAL300025577749	0	37	-1.0	-47.04	318.54	3.12	-43.92
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=CC=C2C(=O)O1	REAL300025577750	0	34	-1.0	-54.77	302.40	3.25	-51.52
CC(=O)C1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577751	0	42	-1.0	-54.94	361.89	3.12	-51.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(Cl)=C1	REAL300025577752	0	26	-1.0	-42.53	272.24	0.63	-41.90
O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025577753	0	51	-1.0	-43.96	387.29	2.06	-41.90
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577754	0	48	-1.0	-54.03	393.55	4.87	-49.16
NS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577755	0	32	-1.0	-51.24	309.99	-2.99	-54.23
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577756	0	34	-1.0	-47.67	329.65	4.16	-43.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1=CC=CC=C1	REAL300025577757	0	41	-1.0	-48.19	347.39	4.94	-43.25
COC1=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1OCC(C)C	REAL300025577758	0	48	-1.0	-46.77	419.91	5.02	-41.75
CCCOC1=C(Cl)C=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577759	0	45	-1.0	-46.89	399.81	4.35	-42.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C([N+](=O)[O-])=C1	REAL300025577760	0	29	-1.0	-50.25	283.91	2.58	-47.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1Cl	REAL300025577761	0	29	-1.0	-45.00	284.02	2.72	-42.28
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCCC1	REAL300025577762	0	40	-1.0	-45.57	327.89	4.89	-40.68
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025577763	0	39	-1.0	-49.59	336.46	1.95	-47.64
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCCC1	REAL300025577764	0	40	-1.0	-43.74	327.91	4.91	-38.83
O=C(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025577765	0	38	-1.0	-54.36	346.99	-0.51	-54.87
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577766	0	44	-1.0	-55.03	357.27	1.88	-53.15
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025577767	0	36	-1.0	-45.41	333.34	3.76	-41.65
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CCCC1	REAL300025577768	0	40	-1.0	-45.06	338.21	5.35	-39.71
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300025577769	0	36	-1.0	-48.15	342.67	3.77	-44.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1NC1=CC=CC(C(F)(F)F)=C1	REAL300025577770	0	41	-1.0	-48.36	364.76	5.05	-43.31
CC1=NOC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025577771	0	35	-1.0	-46.75	315.66	0.90	-45.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1=CC=CC=C1	REAL300025577772	0	40	-1.0	-46.11	364.59	6.20	-39.91
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577773	0	43	-1.0	-52.84	377.68	5.20	-47.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1	REAL300025577774	0	42	-1.0	-46.43	356.78	2.36	-44.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC(F)F	REAL300025577775	0	31	-1.0	-47.78	288.63	2.78	-45.00
N#CCCNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577776	0	39	-1.0	-56.56	361.76	-0.94	-57.50
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC=C1	REAL300025577777	0	44	-1.0	-47.63	368.08	6.06	-41.57
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Cl)=CC=C1Cl	REAL300025577778	0	26	-1.0	-44.21	269.93	0.76	-43.45
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Br)C=C2)C1	REAL300025577779	0	38	-1.0	-54.18	343.87	3.12	-51.06
O=C(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577780	0	38	-1.0	-53.28	361.11	-1.07	-54.35
O=C(CNS(=O)(=O)C1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577781	0	35	-1.0	-51.03	320.36	-2.32	-53.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(Cl)C=C1	REAL300025577782	0	39	-1.0	-52.09	358.08	5.44	-46.65
COC1=CC=C(C=CC(=O)NC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577783	0	45	-1.0	-47.00	385.78	1.38	-45.62
O=C(CCC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577784	0	33	-1.0	-45.17	310.62	3.64	-41.53
COC1=CC=C(C(=O)NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577785	0	45	-1.0	-48.13	381.17	3.38	-44.75
CC1=CC=C(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025577786	0	44	-1.0	-48.31	387.31	5.81	-42.50
CC1=CC=CC(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025577787	0	44	-1.0	-47.77	381.75	5.49	-42.28
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577788	0	44	-1.0	-47.73	386.17	5.62	-42.11
CC1=NOC(C)=C1CSC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577789	0	42	-1.0	-52.18	375.20	3.68	-48.50
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C(N=CNC2=O)O1	REAL300025577790	0	32	-1.0	-59.56	296.20	-1.87	-61.43
CC1=NC(C2=CC=CC=C2)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025577791	0	36	-1.0	-47.07	326.41	2.91	-44.16
CN1C2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025577792	0	44	-1.0	-51.22	374.95	6.37	-44.85
CCCS(=O)(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577793	0	41	-1.0	-62.50	346.34	0.55	-61.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC([N+](=O)[O-])=CC=C12	REAL300025577794	0	33	-1.0	-54.16	303.83	2.18	-51.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300025577795	0	44	-1.0	-54.77	377.61	7.04	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1=CN2C=CC=CC2=N1	REAL300025577796	0	44	-1.0	-55.35	378.29	6.56	-48.79
O=C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577797	0	41	-1.0	-52.32	367.98	0.20	-52.12
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577798	0	34	-2.0	-104.54	329.33	-2.19	-106.73
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577798	1	35	-1.0	-54.06	330.55	-1.81	-55.87
O=C(CCCCC1CCSS1)NCCC1=NC(=O)O[N-]1	REAL300025577799	0	38	-1.0	-48.36	336.56	4.77	-43.59
CCC1(CC)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025577800	0	41	-1.0	-53.25	344.98	0.07	-53.18
O=C(CSCC(=O)N1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025577801	0	41	-1.0	-57.83	349.59	2.17	-55.66
O=C(CSCC(=O)N1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025577802	0	39	-1.0	-58.38	340.75	-0.26	-58.64
CCC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025577803	0	42	-1.0	-45.92	331.51	4.29	-41.63
CC1=NOC(C)=C1COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577804	0	43	-1.0	-55.91	369.68	4.84	-51.07
O=C(NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300025577805	0	44	-1.0	-46.52	381.21	4.10	-42.42
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300025577806	0	46	-1.0	-46.93	365.97	3.99	-42.94
CC1=C(C)C2=C(SCC(=O)NCCC3=NC(=O)O[N-]3)N=C(C)N=C2S1	REAL300025577807	0	41	-1.0	-47.43	370.65	3.16	-44.27
O=C(NCCC1=NC(=O)O[N-]1)C(=CC1=CC=CO1)N1N=NN=C1C1=CC=CC=C1	REAL300025577808	0	43	-1.0	-46.66	382.09	4.05	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=C2F)N=C1	REAL300025577809	0	37	-1.0	-50.96	341.71	3.53	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC1	REAL300025577810	0	34	-1.0	-43.77	315.61	3.85	-39.92
CCN(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577811	0	48	-1.0	-52.26	407.31	1.82	-50.44
CC1=NC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577812	0	32	-1.0	-44.97	295.09	1.51	-43.46
CC1=CC=C(C(=O)CCC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025577813	0	43	-1.0	-47.89	387.25	4.26	-43.63
CC1=NC2=CC=CC=C2C(C2=CC=CC=C2)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577814	0	48	-1.0	-51.64	395.80	6.22	-45.42
O=C(CC1=CC=C(N2C=NN=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577815	0	35	-1.0	-53.93	316.21	2.40	-51.53
O=C(CCNS(=O)(=O)C1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025577816	0	37	-1.0	-52.33	339.08	-3.23	-55.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCNC(=O)C2)=CC=C1	REAL300025577817	0	43	-1.0	-56.00	377.23	-2.42	-58.42
CS(=O)(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577818	0	35	-1.0	-63.39	308.00	-1.97	-65.36
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577819	0	35	-1.0	-46.50	317.54	3.10	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)C1	REAL300025577820	0	46	-1.0	-44.35	391.90	5.83	-38.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CC=C1	REAL300025577821	0	38	-1.0	-45.96	326.01	4.61	-41.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=C(F)C=C2)=N1	REAL300025577822	0	37	-1.0	-47.04	348.78	1.92	-45.12
NC(=O)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025577823	0	40	-1.0	-50.07	349.49	-1.24	-51.31
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577824	0	40	-1.0	-51.54	352.64	2.61	-48.93
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577825	0	41	-1.0	-53.43	363.49	2.47	-50.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=C(F)C=C2)O1	REAL300025577826	0	43	-1.0	-55.01	380.94	4.73	-50.28
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1	REAL300025577827	0	40	-1.0	-47.56	340.62	3.76	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2)N=N1	REAL300025577828	0	33	-1.0	-45.27	300.60	1.23	-44.04
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C2=CC=CO2)S1	REAL300025577829	0	40	-1.0	-49.10	366.99	4.03	-45.07
CCS(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577830	0	38	-1.0	-60.45	342.02	-0.97	-61.42
CC(C)C1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025577831	0	42	-1.0	-44.75	370.72	4.27	-40.48
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025577832	0	40	-1.0	-47.24	342.25	3.82	-43.42
CCCS(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577833	0	41	-1.0	-49.91	363.51	-0.15	-50.06
O=C(CCC1=NC(C2=CC=CO2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025577834	0	35	-1.0	-49.31	321.71	-0.32	-49.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C1=NC=C(C2=CC=CC=C2F)O1	REAL300025577835	0	43	-1.0	-56.93	385.36	4.84	-52.09
CC1=CSC(SCC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025577836	0	40	-1.0	-51.11	365.75	4.08	-47.03
CC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(F)(F)F)C=C1	REAL300025577837	0	40	-1.0	-48.99	352.21	3.97	-45.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2N1	REAL300025577838	0	31	-1.0	-45.02	293.76	2.00	-43.02
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025577839	0	40	-1.0	-47.88	358.26	4.10	-43.78
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577840	0	47	-1.0	-60.13	397.55	5.83	-54.30
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)S1	REAL300025577841	0	33	-1.0	-46.84	311.18	1.20	-45.64
CC(C)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577842	0	43	-1.0	-53.43	342.53	1.84	-51.59
CC1=NN(CCC#N)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577843	0	43	-1.0	-50.82	373.89	3.15	-47.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Br)C=C1	REAL300025577844	0	37	-1.0	-45.70	340.53	3.72	-41.98
CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577845	0	47	-1.0	-44.25	390.25	1.02	-43.23
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577846	0	46	-1.0	-44.03	363.29	0.79	-43.24
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577847	0	49	-1.0	-44.07	383.68	1.90	-42.17
O=C(CN1C=CC=C(C(F)(F)F)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577848	0	33	-1.0	-60.04	309.89	1.83	-58.21
CC(OC1=CC=C(Cl)C=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577849	0	34	-1.0	-50.30	331.44	3.85	-46.45
CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577850	0	40	-1.0	-45.02	331.86	-0.74	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C1	REAL300025577851	0	44	-1.0	-51.49	390.94	4.81	-46.68
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2F)C1	REAL300025577852	0	38	-1.0	-48.22	343.31	2.90	-45.32
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025577853	0	42	-1.0	-60.45	376.81	1.65	-58.80
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC=C1Cl	REAL300025577854	0	41	-1.0	-51.68	370.57	3.66	-48.02
O=C(CN1N=C2CCCCCN2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577855	0	40	-1.0	-59.22	335.43	2.29	-56.93
CN(C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1)S(C)(=O)=O	REAL300025577856	0	38	-1.0	-62.52	334.88	0.61	-61.91
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577857	0	47	-1.0	-50.61	390.01	2.46	-48.15
CN1N=CC2=C1N=C(CCC(=O)NCCC1=NC(=O)O[N-]1)NC2=O	REAL300025577858	0	38	-1.0	-50.61	337.14	0.24	-50.37
NC(=O)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025577859	0	40	-1.0	-49.44	355.92	-1.18	-50.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)N1	REAL300025577860	0	37	-1.0	-48.35	323.61	3.75	-44.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1Br	REAL300025577861	0	27	-1.0	-44.29	276.30	2.68	-41.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CO2)=N1	REAL300025577862	0	30	-1.0	-47.31	293.11	0.38	-46.93
CC1=CC(C)=C2C(=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025577863	0	36	-1.0	-45.71	331.03	4.55	-41.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(=O)C1=CC=C(F)C=C1	REAL300025577864	0	39	-1.0	-52.24	347.75	4.98	-47.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2N1	REAL300025577865	0	31	-1.0	-44.82	298.32	2.11	-42.71
O=C(COC1=CC=C(F)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577866	0	31	-1.0	-48.08	299.44	2.67	-45.41
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)CCC(=O)C1=CC=CS1	REAL300025577867	0	40	-1.0	-47.87	365.45	3.44	-44.43
CCOC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1C	REAL300025577868	0	38	-1.0	-43.16	333.60	1.89	-41.27
N#CC1=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)OC(C2=CC=CO2)=N1	REAL300025577869	0	46	-1.0	-51.29	398.64	-0.85	-52.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300025577870	0	40	-1.0	-48.86	349.31	3.04	-45.82
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025577871	0	43	-1.0	-46.08	350.25	4.23	-41.85
O=C(CCC1=CC=C(S(=O)(=O)NC2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577872	0	45	-1.0	-50.44	398.34	0.88	-49.56
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025577873	0	43	-1.0	-44.18	366.96	4.75	-39.43
CC(C)(C)C(=O)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577874	0	43	-1.0	-58.12	337.74	2.54	-55.58
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CSC=N1	REAL300025577875	0	41	-1.0	-49.47	366.79	1.80	-47.67
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2N(C)C1=O	REAL300025577876	0	38	-1.0	-43.79	333.80	1.19	-42.60
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CN=C2)CC1	REAL300025577877	0	43	-1.0	-53.26	355.37	1.50	-51.76
CC1=C(C)C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N1	REAL300025577878	0	37	-1.0	-47.86	314.65	2.95	-44.91
O=C(CCNC(=O)C1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577879	0	43	-1.0	-57.43	370.47	2.92	-54.51
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025577880	0	35	-1.0	-46.12	327.94	1.37	-44.75
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=C1	REAL300025577881	0	41	-1.0	-47.51	348.47	4.36	-43.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300025577882	0	33	-1.0	-47.40	323.72	-0.32	-47.72
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCS(=O)(=O)C2)C1	REAL300025577883	0	41	-1.0	-56.25	350.60	-2.09	-58.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC=N2)=C1	REAL300025577884	0	37	-1.0	-52.94	325.16	4.07	-48.87
NC(=O)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577885	0	35	-1.0	-60.93	311.37	-1.05	-61.98
COC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025577886	0	42	-1.0	-49.55	351.59	1.75	-47.80
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(Cl)C=CC=C2S1	REAL300025577887	0	30	-1.0	-48.07	306.58	3.78	-44.29
O=C(CCC1=CC=C(OC(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577888	0	37	-1.0	-48.10	328.59	2.61	-45.49
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1Br	REAL300025577889	0	28	-1.0	-41.93	290.03	2.02	-39.91
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=C([N+](=O)[O-])C=CC2=NN1	REAL300025577890	0	32	-1.0	-49.34	298.26	0.91	-48.43
O=C(NCCC1=NC(=O)O[N-]1)C1=NNC2=CC=C([N+](=O)[O-])C=C21	REAL300025577890	1	32	-1.0	-52.28	300.27	0.88	-51.40
COC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577891	0	35	-1.0	-51.71	310.38	-0.24	-51.95
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=C(C)C(C)=NN(C)C2=O)=N1	REAL300025577892	0	44	-1.0	-48.29	379.71	1.96	-46.33
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NN3C=NN=C3C=C2)CC1	REAL300025577893	0	43	-1.0	-58.06	356.28	4.54	-53.52
O=C(CN1N=CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025577894	0	35	-1.0	-58.70	314.75	1.26	-57.44
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC1	REAL300025577895	0	34	-1.0	-43.91	311.04	3.75	-40.16
CN1C=CN=C1SCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577896	0	38	-1.0	-47.13	353.84	3.23	-43.90
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1OCC1=CC=CN=C1	REAL300025577897	0	46	-1.0	-48.75	393.40	4.68	-44.07
O=C(COC1=C(Br)C2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577898	0	37	-1.0	-54.94	340.32	4.93	-50.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=NC=CC(C)=C12	REAL300025577899	0	35	-1.0	-46.22	306.11	2.13	-44.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2C(F)(F)F)N=N1	REAL300025577900	0	36	-1.0	-49.42	330.04	2.35	-47.07
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025577901	0	44	-1.0	-49.31	371.54	5.13	-44.18
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL300025577902	0	28	-1.0	-42.02	281.45	1.84	-40.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCCN2C(C2=CC=CC=C2)=N1	REAL300025577903	0	47	-1.0	-48.81	375.81	5.45	-43.36
CC(C)(C)C1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025577904	0	43	-1.0	-44.98	353.03	3.80	-41.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC3=C(CCCCC3)C2=C1	REAL300025577905	0	44	-1.0	-50.19	352.16	4.46	-45.73
CCOC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025577906	0	43	-1.0	-45.35	378.45	3.30	-42.05
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1C=NN=N1	REAL300025577907	0	35	-1.0	-53.01	307.05	2.45	-50.56
O=C(CC1C2=CC=CC=C2OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025577908	0	42	-1.0	-55.27	348.40	6.27	-49.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NCC2CC2)=C1	REAL300025577909	0	42	-1.0	-53.73	372.40	0.11	-53.62
O=C(COC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025577910	0	33	-1.0	-56.78	305.06	2.77	-54.01
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C1	REAL300025577911	0	38	-1.0	-54.87	321.60	-3.76	-58.63
CC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C2CC2)C=C1Cl	REAL300025577912	0	44	-1.0	-46.92	383.99	5.45	-41.47
CC1=NN(C)C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025577913	0	38	-1.0	-47.30	326.00	1.94	-45.36
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025577914	0	37	-1.0	-46.11	325.64	3.16	-42.95
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(Br)=C1	REAL300025577915	0	24	-1.0	-46.96	248.39	0.24	-46.72
CCOC1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025577916	0	45	-1.0	-47.34	391.53	1.90	-45.44
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025577917	0	42	-1.0	-60.64	363.09	1.85	-58.79
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC(Br)=C2)C1	REAL300025577918	0	38	-1.0	-47.64	343.92	3.09	-44.55
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=CC=C2Br)C1	REAL300025577919	0	38	-1.0	-56.15	346.82	3.80	-52.35
CCCC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025577920	0	47	-1.0	-48.76	386.47	4.68	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC=N2)CC1	REAL300025577921	0	40	-1.0	-48.95	330.12	0.22	-48.73
CCCCC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025577922	0	50	-1.0	-48.72	407.97	5.46	-43.26
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025577923	0	43	-1.0	-47.12	362.66	4.49	-42.63
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CC=CN=C1	REAL300025577924	0	47	-1.0	-51.45	400.37	3.87	-47.58
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C3CCCC3=C2)C1	REAL300025577925	0	45	-1.0	-49.59	368.15	4.38	-45.21
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025577926	0	43	-1.0	-45.20	367.00	4.75	-40.45
CC(OC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577927	0	34	-1.0	-52.15	310.32	3.22	-48.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300025577928	0	40	-1.0	-45.39	344.80	2.94	-42.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)NC2CCCC2)=C1	REAL300025577929	0	45	-1.0	-53.59	384.78	0.51	-53.08
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577930	0	46	-1.0	-60.68	380.24	2.79	-57.89
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025577931	0	40	-1.0	-47.52	340.87	3.82	-43.70
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025577932	0	43	-1.0	-44.50	356.64	4.30	-40.20
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025577933	0	40	-1.0	-47.01	357.53	4.33	-42.68
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Cl)=C1	REAL300025577934	0	37	-1.0	-46.69	335.92	3.61	-43.08
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCCC	REAL300025577935	0	53	-1.0	-47.69	431.62	5.74	-41.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CCCCC2)=C1	REAL300025577936	0	47	-1.0	-58.78	381.07	3.80	-54.98
CCN(CC)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577937	0	48	-1.0	-52.91	371.02	2.53	-50.38
CN(C)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577938	0	42	-1.0	-53.13	331.82	0.80	-52.33
CN1C=C(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025577939	0	35	-1.0	-55.64	326.57	-4.38	-60.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300025577940	0	36	-1.0	-46.73	350.63	3.55	-43.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1	REAL300025577941	0	43	-1.0	-56.57	385.34	3.00	-53.57
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577942	0	47	-1.0	-51.64	399.43	4.61	-47.03
O=C(CC1=CSC(NC(=O)CC2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025577943	0	40	-1.0	-54.50	378.29	2.26	-52.24
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025577943	1	39	-2.0	-100.77	374.97	1.14	-99.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC2=CC=CC=C2)=N1	REAL300025577944	0	39	-1.0	-44.89	350.82	3.80	-41.09
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C2N1	REAL300025577945	0	37	-1.0	-49.96	340.66	3.38	-46.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NO1	REAL300025577946	0	33	-1.0	-42.90	301.97	2.54	-40.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=C(Br)C=N2)C=C1	REAL300025577947	0	34	-1.0	-48.79	323.27	3.37	-45.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=NC=C2)C=C1	REAL300025577948	0	41	-1.0	-49.99	373.23	-0.39	-50.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025577948	1	40	-2.0	-86.89	366.88	-0.27	-87.16
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2CCCCC2)C1	REAL300025577949	0	44	-1.0	-47.68	349.38	2.54	-45.14
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577950	0	38	-1.0	-49.03	328.82	5.00	-44.03
CC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025577951	0	46	-1.0	-45.78	371.63	4.91	-40.87
O=C(COC1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025577952	0	34	-1.0	-55.05	314.32	3.16	-51.89
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(N2CCOCC2)=NC=C1Cl	REAL300025577953	0	38	-1.0	-43.08	336.77	0.51	-42.57
CC1=NN(C)C2=C1C(C)=C(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)N2	REAL300025577954	0	45	-1.0	-53.83	374.35	1.76	-52.07
CC1=CC(C(F)(F)F)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=N1	REAL300025577955	0	35	-1.0	-44.77	330.23	0.51	-44.26
CN(C)S(=O)(=O)C1=CNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577956	0	36	-1.0	-53.53	328.22	-2.74	-56.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2O1	REAL300025577957	0	30	-1.0	-42.33	295.80	2.56	-39.77
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577958	0	41	-1.0	-46.40	354.53	-2.14	-48.54
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577958	1	40	-2.0	-82.69	357.18	-2.15	-84.84
CC1=NC2=CC(F)=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577959	0	35	-1.0	-45.43	307.47	2.59	-42.84
COC1=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL300025577960	0	34	-1.0	-46.28	304.04	1.21	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1	REAL300025577961	0	34	-1.0	-47.21	311.09	2.76	-44.45
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1OC(F)F	REAL300025577962	0	37	-1.0	-47.49	320.46	2.52	-44.97
CC1=NN(C2=CC=CC=C2)C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025577963	0	42	-1.0	-48.96	366.78	4.82	-44.14
CC(C)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025577964	0	50	-1.0	-51.44	420.07	3.12	-48.32
CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577965	0	32	-1.0	-47.44	306.57	-4.23	-51.67
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577965	1	31	-2.0	-82.51	303.56	-4.69	-87.20
O=C(CCCC1=NC(C2=CC=C(Cl)C=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025577966	0	41	-1.0	-52.88	378.45	2.96	-49.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300025577967	0	41	-1.0	-60.47	370.03	4.54	-55.93
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC(F)(F)F)C1	REAL300025577968	0	34	-1.0	-50.75	311.02	0.54	-50.21
COC1=NN(C)C2=NC(C)=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025577969	0	48	-1.0	-48.82	397.58	1.15	-47.67
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025577970	0	39	-1.0	-49.92	335.57	3.71	-46.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C(F)C=C2)=C1	REAL300025577971	0	41	-1.0	-59.36	361.49	3.63	-55.73
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300025577972	0	44	-1.0	-53.33	376.50	-0.38	-53.71
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C(C)=C1	REAL300025577973	0	39	-1.0	-48.02	338.68	3.49	-44.53
CC1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025577974	0	36	-1.0	-57.39	336.04	2.04	-55.35
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=CS1	REAL300025577975	0	34	-1.0	-54.16	308.68	0.90	-53.26
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025577976	0	42	-1.0	-48.69	346.79	4.10	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=C2)C=C1	REAL300025577977	0	37	-1.0	-52.56	326.58	4.81	-47.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=N2)O1	REAL300025577978	0	34	-1.0	-48.21	311.82	1.38	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)C=C1	REAL300025577979	0	41	-1.0	-45.75	337.80	3.75	-42.00
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025577980	0	47	-1.0	-50.17	385.05	4.36	-45.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=C(C(F)(F)F)C=C2S1	REAL300025577981	0	33	-1.0	-43.57	334.08	4.43	-39.14
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2)=NO1	REAL300025577982	0	36	-1.0	-44.93	329.49	3.56	-41.37
CC1=CC(C)=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C(C)=C1	REAL300025577983	0	47	-1.0	-49.94	389.22	5.51	-44.43
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C=C1	REAL300025577984	0	36	-1.0	-43.64	323.60	1.79	-41.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C2C1=O	REAL300025577985	0	33	-1.0	-53.30	292.32	1.65	-51.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2F)S1	REAL300025577986	0	34	-1.0	-46.15	322.80	4.38	-41.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025577987	0	41	-1.0	-57.66	370.71	4.77	-52.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)N2CCOCC2)O1	REAL300025577988	0	40	-1.0	-47.30	358.32	-2.84	-50.14
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2CC2)C1	REAL300025577989	0	41	-1.0	-53.44	334.61	2.10	-51.34
O=C(COC1=CC=CC(NC(=O)C2CC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577990	0	42	-1.0	-53.88	364.03	2.58	-51.30
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=N2)C1	REAL300025577991	0	40	-1.0	-50.50	347.17	1.29	-49.21
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025577992	0	50	-1.0	-53.01	406.12	5.18	-47.83
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577993	0	43	-1.0	-51.50	369.69	4.36	-47.14
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2Cl)=C1	REAL300025577994	0	33	-1.0	-44.35	318.52	3.07	-41.28
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1	REAL300025577995	0	44	-1.0	-60.69	373.83	4.45	-56.24
CC(C)C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577996	0	40	-1.0	-53.55	339.20	1.90	-51.65
O=C(COC1=CC=CC(NC(=O)C2=CC=CO2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025577997	0	42	-1.0	-61.50	372.85	2.13	-59.37
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577998	0	44	-1.0	-49.69	380.76	0.01	-49.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2N1	REAL300025577999	0	31	-1.0	-44.00	293.77	1.97	-42.03
CC1=CC=C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025578000	0	36	-1.0	-42.76	323.37	3.21	-39.55
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC=C1	REAL300025578001	0	38	-1.0	-58.06	343.22	-0.10	-58.16
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578002	0	44	-1.0	-50.61	367.63	6.15	-44.46
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1	REAL300025578003	0	34	-1.0	-51.49	309.19	2.85	-48.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300025578004	0	34	-1.0	-44.63	334.71	4.85	-39.78
CC1=CC=CC(C(CC(=O)NCCC2=NC(=O)O[N-]2)NC(N)=O)=C1	REAL300025578005	0	42	-1.0	-54.05	361.41	-0.25	-54.30
CC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)O1	REAL300025578006	0	36	-1.0	-44.62	332.30	2.01	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1	REAL300025578007	0	39	-1.0	-56.65	349.46	4.02	-52.63
CC(C)(C)C1=NOC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578008	0	43	-1.0	-52.84	364.12	1.01	-51.83
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=C(C(C)(C)C)C=C1	REAL300025578009	0	53	-1.0	-48.90	427.49	6.93	-41.97
CN1C2=CC=CC=C2C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578010	0	34	-1.0	-46.33	321.55	3.54	-42.79
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CN=C1	REAL300025578011	0	37	-1.0	-57.67	337.62	-1.84	-59.51
CC(C)NC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578012	0	42	-1.0	-60.10	356.38	0.74	-59.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C(C1CC1)=NN2C1=CC=CC=C1	REAL300025578013	0	46	-1.0	-48.75	398.17	6.41	-42.34
COC1=CC=C(C2=NOC(CCCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025578014	0	45	-1.0	-54.89	391.17	1.76	-53.13
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)N2CCCC2)C1	REAL300025578015	0	46	-1.0	-50.01	358.64	2.04	-47.97
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300025578016	0	36	-1.0	-55.48	332.95	3.37	-52.11
CC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)O1	REAL300025578017	0	33	-1.0	-47.39	315.02	1.21	-46.18
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578018	0	39	-1.0	-52.92	354.76	3.86	-49.06
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C1C(=O)CCC2	REAL300025578019	0	36	-1.0	-50.39	309.65	2.04	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(NCC2=CC=CO2)=NC=C1Cl	REAL300025578020	0	37	-1.0	-44.39	347.54	2.58	-41.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CS2)=C1	REAL300025578021	0	38	-1.0	-50.43	344.78	3.89	-46.54
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578022	0	48	-1.0	-50.65	394.58	-0.89	-51.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2)=N1	REAL300025578023	0	36	-1.0	-46.15	333.88	3.03	-43.12
CCC(CC)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025578024	0	43	-1.0	-47.02	348.75	2.82	-44.20
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578025	0	44	-1.0	-44.61	368.15	1.91	-42.70
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578026	0	44	-1.0	-44.76	371.62	1.67	-43.09
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578027	0	50	-1.0	-44.82	397.38	3.53	-41.29
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1Br	REAL300025578028	0	34	-1.0	-50.62	328.37	3.47	-47.15
O=C(CN1C=NC2=CC=C(Br)C=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578029	0	35	-1.0	-55.63	334.85	3.33	-52.30
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300025578030	0	48	-1.0	-51.00	398.67	4.43	-46.57
O=C(CCNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578031	0	41	-1.0	-53.01	361.32	0.92	-52.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025578032	0	40	-1.0	-47.10	341.62	3.50	-43.60
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CC=CN21	REAL300025578033	0	30	-1.0	-49.51	290.66	2.20	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1	REAL300025578034	0	27	-1.0	-42.94	271.01	2.22	-40.72
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578035	0	40	-1.0	-56.60	367.95	2.54	-54.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1F	REAL300025578036	0	37	-1.0	-50.92	321.93	5.02	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300025578037	0	40	-1.0	-50.72	360.63	6.02	-44.70
O=C(COCCOC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578038	0	38	-1.0	-54.02	332.33	2.35	-51.67
COC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025578039	0	44	-1.0	-47.52	385.81	2.29	-45.23
COC1=CC=CC(COCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578040	0	38	-1.0	-52.65	331.91	1.90	-50.75
CC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025578041	0	36	-1.0	-44.89	322.00	1.91	-42.98
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025578042	0	43	-1.0	-47.13	363.14	4.20	-42.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)NC2=CC=CC=C2F)=CN1	REAL300025578043	0	40	-1.0	-51.83	369.16	-0.72	-52.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025578044	0	44	-1.0	-48.15	373.88	3.43	-44.72
O=C(CC1=CC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025578045	0	36	-1.0	-55.31	318.29	1.28	-54.03
O=C(CN1C(=O)COC2=CC(Br)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578046	0	36	-1.0	-52.81	335.72	1.61	-51.20
CC1=CC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2C=C1	REAL300025578047	0	35	-1.0	-52.97	307.15	2.37	-50.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300025578048	0	33	-1.0	-45.69	310.10	2.45	-43.24
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC1=CC=CC=C1	REAL300025578049	0	46	-1.0	-47.21	384.65	4.98	-42.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(F)=C2)=NO1	REAL300025578050	0	33	-1.0	-42.57	308.38	2.60	-39.97
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)N2CCCC2)CC1	REAL300025578051	0	46	-1.0	-53.07	358.24	1.88	-51.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CS2)O1	REAL300025578052	0	33	-1.0	-44.14	312.49	-0.24	-44.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2O1	REAL300025578053	0	30	-1.0	-44.28	295.84	2.55	-41.73
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCC2	REAL300025578054	0	41	-1.0	-53.09	359.05	4.69	-48.40
CC(C)CC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578055	0	47	-1.0	-44.89	390.72	5.54	-39.35
O=C(CN1N=CC2=CC=C([N+](=O)[O-])C=C21)NCCC1=NC(=O)O[N-]1	REAL300025578056	0	35	-1.0	-54.62	324.67	2.48	-52.14
O=C(CS(=O)(=O)CCCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578057	0	42	-1.0	-64.76	373.82	1.73	-63.03
CCN1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C1=O	REAL300025578058	0	38	-1.0	-63.60	328.28	0.55	-63.05
COC1=CC=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025578059	0	38	-1.0	-53.41	329.39	1.56	-51.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(Cl)S2)=C1	REAL300025578060	0	30	-1.0	-42.17	311.01	2.33	-39.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC=C2)C2=C1N=CC=C2	REAL300025578061	0	38	-1.0	-56.26	326.02	4.52	-51.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C([N+](=O)[O-])=C1	REAL300025578062	0	36	-1.0	-53.81	329.30	4.68	-49.13
O=C(CCC(=O)C1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578063	0	41	-1.0	-47.45	350.90	5.12	-42.33
O=C(CC(NC(=O)C1=CC=C(O)C=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578064	0	48	-1.0	-54.81	413.46	2.25	-52.56
CCC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025578065	0	37	-1.0	-48.97	332.33	3.91	-45.06
CC(OC1=CC=C2CCCC2=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578066	0	41	-1.0	-50.40	339.86	4.59	-45.81
O=C(CCCC1=NC(C2=CC=C(F)C=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025578067	0	41	-1.0	-53.04	368.13	2.51	-50.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CC=C2)=C1	REAL300025578068	0	44	-1.0	-47.99	378.85	5.73	-42.26
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578069	0	34	-1.0	-53.22	325.47	3.70	-49.52
CC(OC1=CC=C(F)C=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578070	0	34	-1.0	-50.72	321.12	3.40	-47.32
O=C(CCCC1=NC(C2=CC=CS2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025578071	0	38	-1.0	-54.89	352.63	1.45	-53.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(I)=C1	REAL300025578072	0	27	-1.0	-42.22	285.44	3.08	-39.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1I	REAL300025578073	0	27	-1.0	-43.20	281.77	3.13	-40.07
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025578074	0	30	-1.0	-46.57	282.59	3.15	-43.42
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(C(C)C)=C1	REAL300025578075	0	50	-1.0	-47.17	410.10	7.40	-39.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1I	REAL300025578076	0	27	-1.0	-44.36	271.44	2.68	-41.68
COC1=CC=CC(COC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578077	0	41	-1.0	-51.67	350.90	2.66	-49.01
O=C(CCCC1=NN=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025578078	0	41	-1.0	-55.92	362.37	-0.23	-56.15
O=C(CCCC1=NC=C(C2=CC=CC=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025578079	0	42	-1.0	-53.73	366.02	2.29	-51.44
N#CC1=CC=CC=C1COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578080	0	42	-1.0	-50.80	371.95	5.23	-45.57
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)C1=CC=CC=C1F	REAL300025578081	0	44	-1.0	-66.15	378.39	4.52	-61.63
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025578082	0	35	-1.0	-46.10	306.46	0.77	-45.33
CC(C)C1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025578083	0	40	-1.0	-45.09	337.10	3.40	-41.69
COC1=CC(OC)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1OC	REAL300025578084	0	43	-1.0	-48.57	369.21	0.10	-48.47
O=C(CNC(=O)C1=CNC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578085	0	40	-1.0	-61.01	351.29	0.15	-60.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOC2=O)C=C1	REAL300025578086	0	36	-1.0	-57.56	311.84	1.61	-55.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CNC(=O)C=C2)C=C1	REAL300025578087	0	41	-1.0	-57.87	359.87	0.48	-57.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C([N+](=O)[O-])C=C2)N=C1	REAL300025578088	0	36	-1.0	-48.42	332.48	3.36	-45.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCNC2=O)=C1	REAL300025578089	0	37	-1.0	-64.02	315.75	0.27	-63.75
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025578090	0	39	-1.0	-51.63	333.34	2.99	-48.64
COC1=CC=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025578091	0	37	-1.0	-51.58	321.60	0.96	-50.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300025578092	0	32	-1.0	-48.97	293.92	-2.98	-51.95
CC(C)CS(=O)(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578093	0	38	-1.0	-49.75	329.77	-0.74	-50.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)N1	REAL300025578094	0	25	-1.0	-42.85	268.74	0.33	-42.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1S(=O)(=O)C1=CC=CS1	REAL300025578095	0	42	-1.0	-51.60	360.40	1.21	-50.39
O=C(CC1=CC=C(OC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578096	0	34	-1.0	-47.31	313.93	2.01	-45.30
CN(C1=CC=CC=C1)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025578097	0	41	-1.0	-46.19	351.64	3.96	-42.23
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578098	0	53	-1.0	-46.59	422.65	4.98	-41.61
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025578099	0	35	-1.0	-53.08	311.68	1.04	-52.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025578100	0	36	-1.0	-57.58	338.46	3.91	-53.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOC2=O)=C1	REAL300025578101	0	36	-1.0	-64.95	312.05	1.60	-63.35
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025578102	0	37	-1.0	-51.11	323.52	3.34	-47.77
CC1=NN(C2=CC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C)=C1	REAL300025578103	0	43	-1.0	-54.03	367.06	4.41	-49.62
O=C(CS(=O)(=O)C1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578104	0	36	-1.0	-62.01	312.84	-0.94	-62.95
CC1=C(C2=CC=C(F)C=C2)N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025578105	0	40	-1.0	-52.28	359.99	3.66	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC1=CC=CC=C1	REAL300025578106	0	40	-1.0	-47.55	358.03	6.21	-41.34
COC1=CC=CC=C1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578107	0	38	-1.0	-47.76	332.03	1.17	-46.59
COC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(OC)=C1	REAL300025578108	0	42	-1.0	-48.04	361.46	0.46	-47.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CS2)=NN1	REAL300025578109	0	31	-1.0	-45.49	296.99	0.70	-44.79
COC1=CC(C#N)=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578110	0	42	-1.0	-54.21	369.33	2.93	-51.28
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=N1	REAL300025578111	0	40	-1.0	-51.87	341.05	4.42	-47.45
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=NC=CS1	REAL300025578112	0	37	-1.0	-50.42	332.52	3.46	-46.96
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025578113	0	36	-1.0	-50.15	316.20	2.83	-47.32
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025578114	0	36	-1.0	-53.51	329.84	3.30	-50.21
COCCOC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025578115	0	44	-1.0	-50.57	381.64	1.41	-49.16
N#CC1=CC=C(CSCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578116	0	35	-1.0	-51.29	333.21	3.98	-47.31
CC(NC(=O)C1=CC=CC(Cl)=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578117	0	37	-1.0	-46.48	349.54	1.86	-44.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC([N+](=O)[O-])=CC=C2O1	REAL300025578118	0	32	-1.0	-44.01	302.64	2.61	-41.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCOC3=C2)=NN1	REAL300025578119	0	37	-1.0	-47.17	330.85	0.25	-46.92
CCOC1=CC=CC=C1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578120	0	41	-1.0	-47.63	353.89	2.10	-45.53
O=C(CC1=CC=C(N2C=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578121	0	37	-1.0	-52.29	326.29	3.42	-48.87
O=C(CCCOC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578122	0	43	-1.0	-51.49	364.33	4.95	-46.54
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578123	0	51	-1.0	-46.65	413.35	5.14	-41.51
COC1=CC=C2C(=C1)C=CN2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578124	0	38	-1.0	-52.84	330.65	2.98	-49.86
CC(OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)C1=CC=CC=C1	REAL300025578125	0	43	-1.0	-45.68	371.28	3.13	-42.55
CC1=CC=C(C)N1C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578126	0	40	-1.0	-54.92	349.86	4.59	-50.33
COC1=CC(C(C)=O)=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578127	0	46	-1.0	-58.18	389.68	2.94	-55.24
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025578128	0	37	-1.0	-59.26	318.13	1.33	-57.93
CC1=C(C(=O)NC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=CO1	REAL300025578129	0	40	-1.0	-54.15	365.07	1.24	-52.91
O=C(CCS(=O)(=O)C1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578130	0	39	-1.0	-49.22	336.37	-0.29	-49.51
N#CC1=CC=C(CS(=O)(=O)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578131	0	37	-1.0	-66.32	351.68	0.55	-65.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025578132	0	38	-2.0	-97.29	363.78	0.50	-96.79
CC(C)C1=CC=C(SCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578133	0	40	-1.0	-47.25	346.64	4.60	-42.65
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=CS1	REAL300025578134	0	24	-1.0	-45.82	253.11	1.17	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=C(Cl)C=C2N1	REAL300025578135	0	31	-1.0	-43.70	308.87	2.44	-41.26
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578136	0	42	-1.0	-48.98	350.71	6.02	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2O)=NN1	REAL300025578137	0	35	-1.0	-47.08	313.55	-0.98	-48.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)NC1=O	REAL300025578138	0	37	-1.0	-51.19	319.81	2.31	-48.88
CC1=NN(C)C2=NC(C)=C(CC(=O)NCCC3=NC(=O)O[N-]3)C(C)=C12	REAL300025578139	0	44	-1.0	-54.44	362.66	2.78	-51.66
CC(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578140	0	39	-1.0	-51.01	343.06	0.58	-50.43
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Cl)C=C1	REAL300025578141	0	30	-1.0	-40.68	294.26	2.84	-37.84
CN1C(=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025578142	0	36	-1.0	-46.96	306.10	2.33	-44.63
COC1=CC=CC=C1OCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578143	0	42	-1.0	-48.80	368.57	2.88	-45.92
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578144	0	43	-1.0	-51.26	380.01	4.81	-46.45
CC1=NC2=C(C(N)=O)C=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578145	0	45	-1.0	-57.26	382.34	-0.38	-57.64
O=C(CC1NC(=O)N(C2=CC=C(F)C=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578146	0	39	-1.0	-45.65	343.08	0.48	-45.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=S)C=C1	REAL300025578147	0	35	-1.0	-58.64	325.79	4.28	-54.36
CCCCCCCCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578148	0	65	-1.0	-45.41	508.90	10.16	-35.25
O=C(CCCCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578149	0	39	-1.0	-45.95	353.62	5.21	-40.74
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300025578150	0	44	-1.0	-49.67	391.25	4.14	-45.53
O=C(CCCOC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025578151	0	37	-1.0	-51.57	339.71	3.29	-48.28
CCC(OC1=CC=CC=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578152	0	40	-1.0	-49.28	328.23	4.03	-45.25
O=C(NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CS1	REAL300025578153	0	41	-1.0	-49.85	373.33	2.67	-47.18
CC1=C(S(=O)(=O)N2CCCC2)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578154	0	42	-1.0	-50.61	366.99	-0.72	-51.33
CC(C)(C)N1C=C(C(=O)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025578155	0	38	-1.0	-44.33	328.68	1.16	-43.17
O=C(COC1=CC2=CC=C(Br)C=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578156	0	37	-1.0	-50.90	344.11	4.98	-45.92
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578157	0	36	-1.0	-53.05	330.93	2.84	-50.21
O=C(CCCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578158	0	36	-1.0	-47.79	327.55	4.33	-43.46
CC(C)C(=O)NC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578159	0	39	-1.0	-52.84	347.60	0.82	-52.02
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578159	1	38	-2.0	-100.35	345.32	-0.29	-100.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025578160	0	43	-1.0	-57.57	385.36	2.99	-54.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300025578161	0	40	-1.0	-52.45	349.39	3.03	-49.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)N=C1	REAL300025578162	0	37	-1.0	-46.00	329.95	1.88	-44.12
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(Br)=C1	REAL300025578163	0	27	-1.0	-41.28	267.11	0.96	-40.32
O=C(CCCN1C=NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578164	0	39	-1.0	-55.61	338.17	4.60	-51.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(N2CCCC2)=NC=C1Cl	REAL300025578165	0	37	-1.0	-42.67	327.64	2.00	-40.67
CCCCS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578166	0	47	-1.0	-50.24	388.41	0.68	-49.56
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025578167	0	30	-1.0	-47.38	277.29	0.08	-47.30
CC(C)(C)N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL300025578168	0	43	-1.0	-47.87	351.59	3.02	-44.85
CC(SCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578169	0	37	-1.0	-48.66	330.90	4.15	-44.51
CSC1=NC=CN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578170	0	38	-1.0	-47.26	345.26	4.45	-42.81
O=C(CC1=CSC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025578171	0	33	-1.0	-48.81	304.27	3.58	-45.23
O=C(COC1=CC=C(Cl)C=C1C1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578172	0	47	-1.0	-49.09	393.81	6.48	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC(C(F)(F)F)C1	REAL300025578173	0	36	-1.0	-47.45	306.46	2.72	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C2=C1CCC2	REAL300025578174	0	41	-1.0	-47.05	362.84	4.58	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300025578175	0	34	-1.0	-46.29	321.01	3.21	-43.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=CC=C1F	REAL300025578176	0	44	-1.0	-45.00	371.17	6.76	-38.24
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)NC(C)C	REAL300025578177	0	48	-1.0	-58.34	404.55	1.80	-56.54
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578178	0	46	-1.0	-48.91	374.56	5.32	-43.59
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578179	0	46	-1.0	-49.89	369.66	5.05	-44.84
CC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025578180	0	37	-1.0	-51.57	336.12	4.00	-47.57
CC1=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(C)C	REAL300025578181	0	46	-1.0	-49.57	371.82	5.15	-44.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300025578182	0	34	-1.0	-46.22	325.57	3.32	-42.90
COCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025578183	0	37	-1.0	-47.67	322.52	0.35	-47.32
O=C(CCC1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025578184	0	30	-1.0	-44.34	296.60	2.73	-41.61
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025578185	0	36	-1.0	-58.32	315.43	-0.32	-58.64
O=C(CNC(=O)CC1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578186	0	37	-1.0	-47.12	333.31	0.78	-46.34
CC(C)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578187	0	42	-1.0	-45.00	349.55	4.96	-40.04
O=C(COC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578188	0	34	-1.0	-49.30	315.58	3.11	-46.19
CCOC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025578189	0	41	-1.0	-50.88	363.05	5.51	-45.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2CC3=CC=CC=C3O2)=C1	REAL300025578190	0	46	-1.0	-65.96	394.63	4.36	-61.60
O=C(CC1=CSC(C2=NC=CC=N2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578191	0	34	-1.0	-59.86	323.31	0.52	-59.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=NC=CC=N2)=N1	REAL300025578192	0	34	-1.0	-49.39	319.05	0.43	-48.96
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC1CCCC1	REAL300025578193	0	45	-1.0	-47.85	366.97	3.63	-44.22
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Br)C1=O	REAL300025578194	0	38	-1.0	-50.71	349.03	3.89	-46.82
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578195	0	34	-1.0	-49.49	325.40	3.70	-45.79
CN1C=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=N1	REAL300025578196	0	33	-1.0	-49.44	315.24	0.12	-49.32
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2)=C1	REAL300025578197	0	38	-1.0	-50.61	341.20	4.58	-46.03
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025578198	0	46	0.0	-74.17	364.65	5.19	-68.98
CC1=NC2=CC=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578199	0	41	-1.0	-49.28	345.70	2.83	-46.45
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL300025578200	0	42	-1.0	-49.69	358.31	2.65	-47.04
CCN1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025578201	0	39	-1.0	-47.34	339.22	1.07	-46.27
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025578202	0	30	-1.0	-54.36	284.44	0.29	-54.07
CC(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300025578203	0	36	-1.0	-54.59	330.19	0.36	-54.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)C3=CC=CC=C3N2N=C1	REAL300025578204	0	36	-1.0	-52.16	321.53	1.38	-50.78
CC(SC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578205	0	34	-1.0	-45.46	331.50	4.02	-41.44
CC1=CC(C)=C(C(=O)CCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025578206	0	47	-1.0	-54.40	393.95	5.55	-48.85
CCOC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025578207	0	38	-1.0	-45.80	328.32	1.69	-44.11
CC1=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025578208	0	37	-1.0	-48.51	329.73	3.79	-44.72
CC1=CC(C)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025578209	0	40	-1.0	-46.30	337.13	4.56	-41.74
CCC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578210	0	37	-1.0	-59.27	319.71	1.25	-58.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300025578211	0	38	-1.0	-47.22	341.96	3.30	-43.92
O=C(CCCOCCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578212	0	43	-1.0	-48.82	366.35	3.87	-44.95
CCCS(=O)(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578213	0	44	-1.0	-50.25	356.66	0.69	-49.56
CC1=CC=C(C(C)C)C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578214	0	46	-1.0	-49.68	374.31	5.33	-44.35
CC1=CC=C(Cl)C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578215	0	37	-1.0	-51.75	331.72	3.90	-47.85
CC(C)C1=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1	REAL300025578216	0	43	-1.0	-49.13	353.69	4.64	-44.49
COC1=CC=C2OC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025578217	0	37	-1.0	-49.45	326.46	1.92	-47.53
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2S1	REAL300025578218	0	37	-1.0	-53.28	335.13	3.29	-49.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=NC=C1	REAL300025578219	0	33	-1.0	-51.61	294.22	-0.19	-51.80
CC1=CC(C(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=CC(C)=C1	REAL300025578220	0	50	-1.0	-48.54	402.37	4.64	-43.90
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=NC=C2)=C1	REAL300025578221	0	32	-1.0	-43.70	297.17	0.82	-42.88
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578222	0	39	-1.0	-52.97	359.54	3.42	-49.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CO2)C=C1	REAL300025578223	0	33	-1.0	-48.45	297.59	-0.06	-48.51
CC(C)SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578224	0	37	-1.0	-45.89	321.09	3.93	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SCC2=CC=CC=C2)C=C1	REAL300025578225	0	41	-1.0	-47.04	364.72	6.43	-40.61
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C=C2)C1	REAL300025578226	0	38	-1.0	-54.12	339.30	3.02	-51.10
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025578227	0	33	-1.0	-51.64	310.78	1.24	-50.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CN=C2)=C1	REAL300025578228	0	33	-1.0	-49.37	296.68	3.25	-46.12
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(F)C=C1[N+](=O)[O-]	REAL300025578229	0	31	-1.0	-43.43	284.10	0.67	-42.76
CC(SC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578230	0	34	-1.0	-49.37	318.15	3.61	-45.76
CC1=NN2C(=C1C(=O)NCCC1=NC(=O)O[N-]1)N=C(C)C=C2C	REAL300025578231	0	38	-1.0	-54.75	334.51	2.15	-52.60
CC(=O)NC1=CC=C(SC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578232	0	41	-1.0	-52.54	366.37	2.27	-50.27
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578233	0	34	-1.0	-46.37	336.84	4.10	-42.27
COC1=CC=C(SC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578234	0	38	-1.0	-47.23	339.70	2.68	-44.55
O=C(CCCOC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578235	0	37	-1.0	-48.97	336.03	3.13	-45.84
O=C(CNC(=O)C1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025578236	0	31	-1.0	-44.44	316.05	-0.24	-44.68
O=C(CC1CCCC(C(F)(F)F)C1)NCCC1=NC(=O)O[N-]1	REAL300025578237	0	39	-1.0	-44.79	325.15	3.40	-41.39
CC(C)CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025578238	0	45	-1.0	-42.80	357.07	1.36	-41.44
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578239	0	42	-1.0	-55.09	361.31	4.01	-51.08
O=C(CCC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025578240	0	33	-1.0	-45.66	305.51	3.47	-42.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Cl	REAL300025578241	0	27	-1.0	-45.56	277.12	2.67	-42.89
CC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578242	0	30	-1.0	-43.37	280.65	2.83	-40.54
O=C(CCCC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578243	0	36	-1.0	-48.63	342.75	4.78	-43.85
CC(C)NC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578244	0	42	-1.0	-54.46	356.53	0.71	-53.75
CC1=NC2=CC(F)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N=C1C	REAL300025578245	0	37	-1.0	-50.83	322.53	1.58	-49.25
O=C(CN1N=C(C2=CC=CC=C2)C=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025578246	0	39	-1.0	-55.46	344.20	2.63	-52.83
CC(C)N1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025578247	0	41	-1.0	-51.33	363.53	-0.53	-51.86
COCCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2S1(=O)=O	REAL300025578248	0	42	-1.0	-53.24	379.62	-1.76	-55.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(C(=O)N2CCCC2)=C1	REAL300025578249	0	39	-1.0	-60.02	329.45	0.90	-59.12
O=C(CCCNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578250	0	44	-1.0	-49.72	382.82	1.73	-47.99
O=C(NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1)C1=CC=CO1	REAL300025578251	0	38	-1.0	-59.05	339.32	1.56	-57.49
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025578252	0	34	-1.0	-52.11	330.31	1.63	-50.48
CC1=NC2=CC(Br)=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578253	0	35	-1.0	-45.53	322.32	3.14	-42.39
CC1=NN2C(=C1)N=C(C)C=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578254	0	35	-1.0	-44.91	307.20	1.93	-42.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300025578255	0	34	-1.0	-43.79	346.88	5.24	-38.55
CCCC1=NOC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578256	0	40	-1.0	-52.62	345.38	0.78	-51.84
CCCCC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578257	0	47	-1.0	-45.03	395.43	5.85	-39.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC([N+](=O)[O-])=C2N1	REAL300025578258	0	33	-1.0	-47.87	302.91	2.23	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(OC(F)(F)F)C=C2N1	REAL300025578259	0	35	-1.0	-44.04	322.95	1.26	-42.78
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C)=C1C(=O)OC	REAL300025578260	0	43	-1.0	-49.47	369.13	2.80	-46.67
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C)=C1C(C)=O	REAL300025578261	0	39	-1.0	-49.85	336.93	1.89	-47.96
CC(NC(=O)C1=CC=C(Br)S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578262	0	34	-1.0	-44.32	335.61	0.62	-43.70
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)O1	REAL300025578263	0	34	-1.0	-51.17	325.21	1.20	-49.97
CN(C)C1=NC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)S1	REAL300025578264	0	34	-1.0	-47.02	324.32	1.85	-45.17
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC(C)=CC=C1	REAL300025578265	0	39	-1.0	-45.01	338.59	2.38	-42.63
NC(=O)C1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025578266	0	38	-1.0	-59.83	336.59	0.40	-59.43
CCN(CC)C1=NC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)S1	REAL300025578267	0	40	-1.0	-46.61	367.65	3.82	-42.79
O=C(CCCS(=O)(=O)N1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578268	0	41	-1.0	-57.69	353.63	-0.79	-58.48
O=C(CCOC1=CC=CC=C1)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578269	0	51	-1.0	-54.10	414.60	4.00	-50.10
CC1=CC=C(C)N1C1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025578270	0	38	-1.0	-50.30	341.98	4.89	-45.41
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC=C2)C1	REAL300025578271	0	35	-1.0	-41.92	311.74	1.87	-40.05
CCC(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578272	0	40	-1.0	-44.13	344.84	0.43	-43.70
O=C(CC1=CC=C(F)C(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578273	0	30	-1.0	-48.04	294.94	2.88	-45.16
CC(C)OC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025578274	0	36	-1.0	-44.74	328.46	0.67	-44.07
O=C(CCC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578275	0	39	-1.0	-46.54	335.44	5.28	-41.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC(=S)N2	REAL300025578276	0	31	-1.0	-52.01	295.35	1.44	-50.57
O=C(CCC(=O)N1CCC2=C(C=CS2)C1)NCCC1=NC(=O)O[N-]1	REAL300025578277	0	41	-1.0	-45.80	355.88	2.84	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300025578278	0	34	-1.0	-47.46	321.01	3.20	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CN=C21	REAL300025578279	0	32	-1.0	-52.31	299.09	2.85	-49.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C)C=C1	REAL300025578280	0	39	-1.0	-44.69	338.60	2.40	-42.29
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025578281	0	36	-1.0	-45.02	333.91	2.23	-42.79
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025578282	0	36	-1.0	-45.12	317.18	1.71	-43.41
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Br)=C1	REAL300025578283	0	36	-1.0	-44.99	338.48	2.33	-42.66
CC(C)C(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578284	0	43	-1.0	-57.82	336.65	2.95	-54.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC1CCCC1	REAL300025578285	0	40	-1.0	-49.31	339.28	4.06	-45.25
CCCC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578286	0	43	-1.0	-53.42	346.13	2.14	-51.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=NC=CN=C12	REAL300025578287	0	31	-1.0	-50.18	283.74	0.48	-49.70
CC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025578288	0	27	-1.0	-44.35	265.74	-0.78	-45.13
O=C(NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1)NC1CC1	REAL300025578289	0	40	-1.0	-59.59	346.14	0.78	-58.81
CCS(=O)(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578290	0	41	-1.0	-50.32	344.85	-0.92	-51.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1CCNC1=O	REAL300025578291	0	40	-1.0	-53.89	342.07	1.44	-52.45
CCC1=NOC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025578292	0	34	-1.0	-45.24	303.22	-0.28	-45.52
CC1=NN(C2=CC=CC=C2)C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025578293	0	42	-1.0	-47.91	368.78	4.82	-43.09
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025578294	0	39	-1.0	-52.19	350.24	3.53	-48.66
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(F)C=C21	REAL300025578295	0	33	-1.0	-43.50	303.43	3.63	-39.87
O=C(CCN1C=CN=C1)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578296	0	44	-1.0	-59.91	381.59	3.82	-56.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC(=O)C2=CC=C3NC=NC3=C2)=C1	REAL300025578297	0	44	-1.0	-69.86	380.99	3.19	-66.67
CC(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300025578298	0	46	-1.0	-57.54	393.98	4.11	-53.43
O=C(CCOC1=CC=CC=C1)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578299	0	51	-1.0	-49.47	414.90	3.99	-45.48
CCSCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578300	0	37	-1.0	-46.94	330.89	4.31	-42.63
COC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578301	0	37	-1.0	-52.67	329.07	2.47	-50.20
O=C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025578302	0	38	-1.0	-61.51	350.22	-2.88	-64.39
CSC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=CC=CN12	REAL300025578303	0	34	-1.0	-50.28	314.31	3.06	-47.22
O=C(CCNC(=O)OCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025578304	0	34	-1.0	-51.10	321.00	-1.67	-52.77
O=C(CCCOC1=CC=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025578305	0	37	-1.0	-53.50	325.52	2.69	-50.81
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025578306	0	43	0.0	-59.68	341.30	4.08	-55.60
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025578306	1	43	0.0	-59.63	341.30	4.07	-55.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=CC=C1	REAL300025578306	1	42	-1.0	-46.01	340.77	1.88	-44.13
CC(C)C(OC1=CC=CC=C1C#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578307	0	41	-1.0	-58.42	347.04	4.23	-54.19
CCCOC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578308	0	37	-1.0	-48.02	330.70	4.33	-43.69
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025578309	0	45	-1.0	-48.96	376.41	2.04	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C=C2)C1=O	REAL300025578310	0	38	-1.0	-48.59	336.90	3.19	-45.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OCC2=CC=CC=C2)=C1	REAL300025578311	0	40	-1.0	-48.89	352.45	2.26	-46.63
NC(=O)C1CCCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025578312	0	46	-1.0	-51.55	371.90	-0.58	-52.13
O=C(CCCOC1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578313	0	37	-1.0	-51.02	325.71	2.68	-48.34
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=C(Cl)S2)CC1	REAL300025578314	0	41	-1.0	-51.94	366.37	2.94	-49.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C(Cl)=CC=C2N1	REAL300025578315	0	31	-1.0	-46.72	308.82	2.42	-44.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=C(Br)C=C2N1	REAL300025578316	0	31	-1.0	-44.84	304.83	2.16	-42.68
CCN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025578317	0	37	-1.0	-45.43	316.65	3.98	-41.45
CC1=CC=C(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1F	REAL300025578318	0	41	-1.0	-47.37	366.92	2.37	-45.00
CC1=CC(C2=NOC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)=CC=C1F	REAL300025578319	0	41	-1.0	-46.13	366.92	2.37	-43.76
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1NC(=O)C1=CC=CC=C1F	REAL300025578320	0	44	-1.0	-52.60	376.63	5.05	-47.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025578321	0	46	0.0	-61.22	358.40	5.34	-55.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025578321	1	46	0.0	-64.55	364.59	5.14	-59.41
CCCCCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578322	0	49	-1.0	-48.05	405.28	5.59	-42.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=CS1	REAL300025578323	0	35	-1.0	-47.33	317.66	3.96	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1	REAL300025578324	0	34	-1.0	-45.93	321.41	3.21	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300025578325	0	34	-1.0	-45.39	345.30	5.19	-40.20
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578326	0	34	-1.0	-45.71	314.96	0.15	-45.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(OC(F)(F)F)C=CC=C2N1	REAL300025578327	0	35	-1.0	-47.16	323.15	1.28	-45.88
CC1=CNC(=O)N1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578328	0	38	-1.0	-54.63	335.82	2.41	-52.22
CC1=CC=C(C)C(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578329	0	46	-1.0	-47.65	382.28	4.81	-42.84
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578330	0	34	-1.0	-44.18	315.10	0.16	-44.02
COC1=CC=C([N+](=O)[O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578331	0	33	-1.0	-54.90	297.04	2.52	-52.38
CC(C)OC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578332	0	37	-1.0	-48.26	331.70	4.25	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1	REAL300025578333	0	34	-1.0	-46.28	311.09	2.76	-43.52
CS(=O)(=O)NC1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578334	0	36	-1.0	-53.10	329.40	-3.30	-56.40
COC1=CC=C(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025578335	0	38	-1.0	-48.61	334.16	1.99	-46.62
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025578336	0	39	-1.0	-45.14	341.50	4.46	-40.68
CC1=CC=CC(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578337	0	43	-1.0	-47.53	362.20	4.07	-43.46
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578338	0	44	-1.0	-44.57	377.87	1.92	-42.65
O=C(CC1=CC=CC=C1)N1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578339	0	44	-1.0	-58.12	368.95	4.68	-53.44
CC(OC1=CC=CC(C#N)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578340	0	35	-1.0	-53.23	314.32	3.12	-50.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C2=CC=CC=C2)=C1	REAL300025578341	0	44	-1.0	-51.56	375.57	5.77	-45.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300025578342	0	37	-1.0	-51.85	342.74	3.71	-48.14
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1	REAL300025578343	0	35	-1.0	-51.53	332.17	-0.28	-51.81
CCOC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578344	0	33	-1.0	-44.17	307.09	-0.15	-44.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)S2)=N1	REAL300025578345	0	30	-1.0	-44.90	319.22	2.00	-42.90
O=C(CC1=CSC(C2=CC=C(Cl)S2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578346	0	33	-1.0	-52.62	340.25	2.81	-49.81
NC(=O)C1=CC=C(C=CC(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578347	0	49	-1.0	-63.81	413.95	1.08	-62.73
CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578348	0	43	-1.0	-43.07	344.15	-0.22	-43.29
CC(C)(C)C(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578349	0	46	-1.0	-53.51	354.27	2.03	-51.48
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2=CC=CC=C2)=N1	REAL300025578350	0	40	-1.0	-44.78	353.23	2.38	-42.40
C=CCOC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578351	0	34	-1.0	-44.09	319.99	0.43	-43.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CC2)C=C1	REAL300025578352	0	38	-1.0	-46.42	326.24	3.36	-43.06
O=C(CSCC1=CC=C(Cl)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025578353	0	34	-1.0	-48.58	343.15	4.53	-44.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C(C)C=CC(C)=C12	REAL300025578354	0	39	-1.0	-44.65	328.82	3.75	-40.90
CC(C)C(NC(=O)CC1=CC2=CC=CC=C2C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578355	0	52	-1.0	-46.64	424.01	5.31	-41.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2F)S1	REAL300025578356	0	33	-1.0	-49.12	314.59	2.71	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SC(F)(F)F	REAL300025578357	0	30	-1.0	-48.98	293.85	1.79	-47.19
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2)O1	REAL300025578358	0	42	-1.0	-44.08	362.95	2.22	-41.86
CCCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578359	0	50	-1.0	-45.40	401.40	6.25	-39.15
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC(Cl)=CC(Cl)=C2)C1	REAL300025578360	0	38	-1.0	-47.08	356.08	3.49	-43.59
COCCOC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578361	0	37	-1.0	-54.40	323.81	-0.32	-54.72
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(F)C=C2)C1=O	REAL300025578362	0	38	-1.0	-49.00	326.59	2.74	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C(Cl)C(Cl)=C2)C1=O	REAL300025578363	0	38	-1.0	-47.14	352.57	3.66	-43.48
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC(C)C	REAL300025578364	0	48	-1.0	-46.88	393.74	5.47	-41.41
CCCN1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025578365	0	45	-1.0	-46.90	381.46	5.11	-41.79
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=N1	REAL300025578366	0	36	-1.0	-55.18	316.96	1.02	-54.16
CS(=O)(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578367	0	38	-1.0	-50.03	313.72	-1.00	-51.03
CC1=CSC(C(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C(F)(F)F)=N1	REAL300025578368	0	36	-1.0	-45.28	331.39	-0.53	-45.81
N#CC1=CC=CC=C1COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578369	0	42	-1.0	-49.75	372.03	5.22	-44.53
CC(C)OC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578370	0	37	-1.0	-48.13	327.14	4.14	-43.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCOC2=C1	REAL300025578371	0	30	-1.0	-45.15	290.63	0.83	-44.32
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C=C1	REAL300025578372	0	48	-1.0	-51.76	402.89	2.05	-49.71
CC(=O)NC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578373	0	34	-1.0	-55.20	303.96	0.52	-54.68
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025578374	0	34	-1.0	-55.10	305.31	0.55	-54.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300025578375	0	34	-1.0	-46.79	338.12	3.94	-42.85
CC1=NOC(Cl)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578376	0	32	-1.0	-44.83	302.09	1.61	-43.22
COCCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578377	0	38	-1.0	-53.98	326.11	2.25	-51.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CCCCC2)C=C1	REAL300025578378	0	47	-1.0	-46.14	377.80	5.17	-40.97
COCCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578379	0	38	-1.0	-51.95	328.26	1.03	-50.92
O=C(CCNC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578380	0	37	-1.0	-55.40	330.80	0.73	-54.67
CCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578381	0	40	-1.0	-46.21	340.69	3.25	-42.96
CNC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025578382	0	42	-1.0	-58.96	362.44	0.15	-58.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NC2=CC(F)=CC=C21	REAL300025578383	0	42	-1.0	-44.97	362.54	5.63	-39.34
CC1=CC=C(OCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C(C)=C1	REAL300025578384	0	44	-1.0	-45.63	380.80	4.41	-41.22
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=C(C)C=CC=C12	REAL300025578385	0	36	-1.0	-44.52	313.75	3.28	-41.24
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1N(C)C(=O)N(C)C2=O	REAL300025578386	0	40	-1.0	-51.76	334.40	2.10	-49.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1	REAL300025578387	0	41	-1.0	-50.69	371.28	5.33	-45.36
O=C(CN1C=CC2=CC=C(Cl)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025578388	0	34	-1.0	-50.84	317.80	4.20	-46.64
O=C(CCCNC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578389	0	40	-1.0	-49.20	352.30	1.53	-47.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC=C2C2=CC=C(F)C=C2)C=C1	REAL300025578390	0	44	-1.0	-48.76	381.86	5.84	-42.92
CC(C)OC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578391	0	36	-1.0	-44.00	327.23	0.76	-43.24
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1	REAL300025578392	0	30	-1.0	-40.93	283.93	2.38	-38.55
COC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025578393	0	36	-1.0	-45.97	317.89	0.75	-45.22
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(C2CC2)=NN1	REAL300025578394	0	31	-1.0	-44.49	297.34	0.81	-43.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(C2=CC=CC=C2)=NN1	REAL300025578395	0	34	-1.0	-45.66	321.37	2.05	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025578396	0	33	-1.0	-45.45	314.22	2.34	-43.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN(CC2=CC=CC=C2)C1=O	REAL300025578397	0	40	-1.0	-57.29	346.35	4.58	-52.71
CS(=O)(=O)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=CC=CN21	REAL300025578398	0	36	-1.0	-57.27	331.24	-0.69	-57.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1O	REAL300025578399	0	28	-1.0	-46.19	273.43	0.70	-45.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025578399	1	27	-2.0	-101.68	269.86	1.71	-99.97
CCCCN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578400	0	44	-1.0	-47.33	359.39	4.43	-42.90
CCCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578401	0	44	-1.0	-47.17	359.69	4.58	-42.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC=C1Cl	REAL300025578402	0	33	-1.0	-44.29	310.19	2.24	-42.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=N2)=N1	REAL300025578403	0	32	-1.0	-49.46	306.10	0.48	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(Br)C=C2C1=O	REAL300025578404	0	33	-1.0	-53.03	313.60	2.27	-50.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025578404	1	32	-2.0	-82.01	310.38	1.83	-80.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NC3=C(O)C=CC=C3C=C2)CC1	REAL300025578405	0	48	-1.0	-53.54	392.34	1.46	-52.08
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025578406	0	40	-1.0	-46.30	333.00	0.54	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CSC2=NC=CC=N2)C2=CC=CC=C2O1	REAL300025578407	0	42	-1.0	-51.32	384.83	4.42	-46.90
CC1=NN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025578408	0	30	-1.0	-43.79	291.64	0.35	-43.44
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578409	0	42	0.0	-70.04	343.36	3.14	-66.90
CCN(CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578409	1	41	-1.0	-43.94	341.16	0.91	-43.03
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300025578410	0	50	-1.0	-47.01	410.09	7.42	-39.59
NC(=O)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578411	0	35	-1.0	-56.71	311.29	-1.10	-57.81
CC1=NN(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025578412	0	37	-1.0	-57.10	323.62	3.32	-53.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300025578413	0	35	-1.0	-46.17	312.68	2.85	-43.32
CC(C)(C)OC(=O)NCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578414	0	52	-1.0	-51.28	420.43	2.12	-49.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1	REAL300025578415	0	38	-1.0	-46.81	353.00	6.12	-40.69
COCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025578416	0	41	-1.0	-52.76	353.62	3.18	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C(N2CCCC2)S1	REAL300025578417	0	35	-1.0	-45.78	323.40	0.83	-44.95
CN1C2=NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025578418	0	38	-2.0	-84.20	341.67	-2.43	-86.63
CN1C2=C(N=C(CCC(=O)NCCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025578418	1	38	-2.0	-84.60	341.81	-1.69	-86.29
CN1C2=C(NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025578418	1	39	-1.0	-49.00	344.88	-1.33	-50.33
CN1C2=C([N-]C(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025578418	1	38	-2.0	-84.75	341.51	-1.78	-86.53
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1	REAL300025578419	0	39	-1.0	-57.42	340.15	2.44	-54.98
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=N1	REAL300025578420	0	36	-1.0	-52.16	317.10	1.11	-51.05
COC1=CC=C2C(=C1)OC(C(=O)NCCC1=NC(=O)O[N-]1)=C2C1=CC=CC=C1	REAL300025578421	0	44	-1.0	-46.37	382.10	4.88	-41.49
COC(=O)NC(CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578422	0	40	-1.0	-44.32	328.79	-0.12	-44.44
CC1=C(C)C2=C(NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=NC2=O)S1	REAL300025578423	0	41	-1.0	-53.43	361.80	1.48	-51.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300025578424	0	37	-1.0	-48.60	326.81	2.60	-46.00
CN1C=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025578425	0	37	-1.0	-51.38	322.28	4.00	-47.38
CCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025578426	0	40	-1.0	-46.75	335.42	3.27	-43.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(F)=C1	REAL300025578427	0	27	-1.0	-42.58	270.29	2.20	-40.38
CCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578428	0	36	-1.0	-52.03	325.42	-0.03	-52.06
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578429	0	40	-1.0	-44.98	331.86	-0.74	-45.72
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578430	0	40	-1.0	-45.02	331.86	-0.74	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025578431	0	36	-1.0	-49.51	332.88	3.36	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300025578432	0	34	-1.0	-50.26	308.66	2.85	-47.41
CC(=O)C1=CC=CC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578433	0	42	-1.0	-57.77	359.79	3.01	-54.76
O=C(CNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578434	0	38	-1.0	-46.13	339.18	0.30	-45.83
CC(C)(C)NS(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578435	0	47	-1.0	-56.17	390.76	0.39	-55.78
O=C(CCC1=CC=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025578436	0	35	-1.0	-51.90	308.85	3.39	-48.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1O)CCCC2	REAL300025578437	0	38	-1.0	-47.77	314.86	2.56	-45.21
CC1=NN(C(F)F)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578438	0	36	-1.0	-50.84	322.03	1.14	-49.70
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1CC(C)OC(C)C1	REAL300025578439	0	48	-1.0	-46.59	359.24	0.70	-45.89
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025578439	1	49	0.0	-58.32	363.49	2.40	-55.92
CC1=NC([N+](=O)[O-])=CN1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578440	0	35	-1.0	-51.45	320.04	3.22	-48.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=C(Cl)C=C1Cl	REAL300025578441	0	38	-1.0	-51.03	364.13	6.63	-44.40
COC1=CC=C(C)C=C1N1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578442	0	41	-1.0	-49.98	353.38	2.99	-46.99
CN1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025578443	0	34	-1.0	-51.16	300.78	0.39	-50.77
CN(C)C(=O)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025578444	0	36	-1.0	-55.48	321.15	-1.69	-57.17
O=C(CN1C(=O)CN2C(=CC3=CC=CC=C32)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578445	0	41	-1.0	-52.97	360.31	2.89	-50.08
O=C(CC1=CSC(CC2=CC=C(F)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578446	0	39	-1.0	-53.40	361.17	3.93	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCCCC1=O	REAL300025578447	0	44	-1.0	-54.96	356.33	5.41	-49.55
CC1=CC=CC=C1N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025578448	0	44	-1.0	-49.51	363.70	5.35	-44.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=C(Cl)C=C1Cl	REAL300025578449	0	37	-1.0	-52.36	361.07	4.00	-48.36
N#CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025578450	0	32	-1.0	-53.91	313.68	3.03	-50.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCSCC2)=CN1	REAL300025578451	0	41	-1.0	-53.67	369.48	-0.93	-54.60
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(Cl)S2)=N1	REAL300025578452	0	33	-1.0	-42.39	336.57	2.81	-39.58
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1	REAL300025578453	0	30	-1.0	-41.37	294.26	2.83	-38.54
CC(C)OC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578454	0	40	-1.0	-48.91	337.22	3.07	-45.84
COC1=CC=CC=C1C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578455	0	37	-1.0	-47.02	336.88	1.89	-45.13
CS(=O)(=O)C1=CC=C(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578456	0	46	-1.0	-55.07	401.46	0.93	-54.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)NC1=O	REAL300025578457	0	34	-1.0	-63.68	313.28	2.49	-61.19
CC1=CC=C(CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578458	0	42	-1.0	-46.40	353.73	5.26	-41.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=C1	REAL300025578459	0	34	-1.0	-48.70	316.38	3.39	-45.31
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578460	0	50	-1.0	-49.62	390.54	3.16	-46.46
COC1=CC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)COC2=C1	REAL300025578461	0	39	-1.0	-45.91	327.33	1.38	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Cl)N=N1	REAL300025578462	0	33	-1.0	-47.19	312.73	1.78	-45.41
O=C(CCCC1=CC=C2CC3=CC=CC=C3C2=C1)NCCC1=NC(=O)O[N-]1	REAL300025578463	0	47	-1.0	-50.95	395.05	7.92	-43.03
O=C(CCCOC1=CC=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025578464	0	37	-1.0	-52.30	331.93	2.75	-49.55
O=C(CNC(=O)C1=NOC(C2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578465	0	40	-1.0	-48.14	360.91	1.05	-47.09
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(F)C=C1	REAL300025578466	0	38	-1.0	-46.04	327.26	4.23	-41.81
CC(C)CN1N=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025578467	0	41	-1.0	-46.61	349.37	3.11	-43.50
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(C)(C)C)=N1	REAL300025578468	0	38	-1.0	-43.96	329.53	1.85	-42.11
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1C=CC=N1	REAL300025578469	0	37	-1.0	-43.92	324.12	2.70	-41.22
CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025578470	0	37	-1.0	-51.44	323.01	4.36	-47.08
CCCCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578471	0	47	-1.0	-47.16	381.19	5.37	-41.79
CC(C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025578472	0	42	-1.0	-53.03	376.41	4.74	-48.29
CC1=NC(S(=O)(=O)N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CN1C	REAL300025578473	0	48	-1.0	-61.24	404.55	0.33	-60.91
CCOC(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1)OCC	REAL300025578474	0	43	-1.0	-45.65	369.95	-0.45	-46.10
O=C(CSCC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578475	0	36	-1.0	-57.30	332.41	3.44	-53.86
CCN1C=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025578476	0	40	-1.0	-50.82	344.14	4.90	-45.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=CN=C1	REAL300025578477	0	37	-1.0	-52.07	324.74	3.75	-48.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300025578478	0	35	-1.0	-47.35	338.74	3.02	-44.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300025578479	0	35	-1.0	-46.71	338.76	3.02	-43.69
NS(=O)(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578480	0	35	-1.0	-57.11	321.56	-2.80	-59.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCS(=O)(=O)CC2)=C1	REAL300025578481	0	45	-1.0	-55.00	379.12	-0.81	-55.81
O=C(CCC1=NC(C2=NNC=N2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025578482	0	34	-1.0	-54.58	315.65	-1.25	-55.83
O=C(CCCOC1=CC=CC(Cl)=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025578483	0	37	-1.0	-52.81	350.51	3.64	-49.17
CC(=O)CCC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578484	0	42	-1.0	-53.13	364.33	4.24	-48.89
CC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C(C)=C1	REAL300025578485	0	39	-1.0	-45.04	351.60	3.87	-41.17
CC(=O)CCC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578486	0	45	-1.0	-52.52	380.97	4.87	-47.65
CC(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025578487	0	46	-1.0	-45.38	370.93	5.75	-39.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2Cl)=N1	REAL300025578488	0	33	-1.0	-45.45	339.66	3.76	-41.69
N#CCCCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578489	0	40	-1.0	-60.27	367.77	1.29	-58.98
N#CC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025578490	0	39	-1.0	-49.73	342.81	2.87	-46.86
O=C(CC1=CC(Cl)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025578491	0	30	-1.0	-45.80	298.89	3.16	-42.64
NS(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578492	0	35	-1.0	-58.42	321.57	-2.82	-61.24
CC1=NC2=CC(=O)NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578493	0	42	-1.0	-53.77	354.91	1.05	-52.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578493	1	41	-2.0	-98.71	352.06	0.20	-98.51
COC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578494	0	39	-1.0	-45.92	338.85	2.16	-43.76
COC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025578495	0	37	-1.0	-54.39	332.34	2.85	-51.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CS1	REAL300025578496	0	24	-1.0	-44.50	256.91	1.17	-43.33
COC1=CC=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C(F)=C1	REAL300025578497	0	37	-1.0	-44.78	338.69	1.97	-42.81
CS(=O)(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025578498	0	35	-1.0	-54.55	331.29	-1.18	-55.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C=C1	REAL300025578499	0	40	-1.0	-47.14	327.08	0.37	-46.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCC3=CC=CC=C3C2)C=C1	REAL300025578500	0	46	-1.0	-47.67	374.46	4.92	-42.75
CN1C=CN=C1SCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578501	0	41	-1.0	-52.28	369.10	5.05	-47.23
COC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578502	0	40	-1.0	-49.38	340.33	3.11	-46.27
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025578503	0	39	-1.0	-53.08	355.62	4.31	-48.77
O=C(CCC1=CC=C(Br)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025578504	0	33	-1.0	-45.53	316.08	3.68	-41.85
CCN(CC1=CC=CC=C1)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578505	0	48	-1.0	-48.57	393.08	6.65	-41.92
CCN(C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025578506	0	44	-1.0	-47.20	348.51	4.09	-43.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=NC=N2)=C1	REAL300025578507	0	32	-1.0	-53.03	294.01	3.41	-49.62
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578508	0	45	0.0	-60.72	342.90	4.46	-56.26
CCN(CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578508	1	44	-1.0	-46.79	345.92	2.20	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C=C1	REAL300025578509	0	34	-1.0	-49.75	317.06	3.39	-46.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)S1	REAL300025578510	0	33	-1.0	-47.47	322.44	3.37	-44.10
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025578511	0	41	-1.0	-49.24	351.35	4.61	-44.63
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025578512	0	47	-1.0	-47.00	362.12	5.15	-41.85
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C(C)C1=CC=CC=C1	REAL300025578513	0	47	-1.0	-48.97	368.10	5.62	-43.35
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1=CC=CC=N1	REAL300025578514	0	43	-1.0	-52.50	364.91	4.21	-48.29
O=C(CCCOC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025578515	0	37	-1.0	-51.81	335.33	3.17	-48.64
CC(C)C1=NC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578516	0	34	-1.0	-42.27	311.63	1.30	-40.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CO2)NC1=O	REAL300025578517	0	34	-1.0	-50.90	305.16	0.49	-50.41
O=C(CCCOCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578518	0	40	-1.0	-49.95	344.85	3.09	-46.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCCC2)C=C1	REAL300025578519	0	43	-1.0	-50.58	368.88	1.95	-48.63
CCCN(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578520	0	41	-1.0	-47.30	337.89	3.65	-43.65
CS(=O)(=O)C1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578521	0	43	-1.0	-57.37	379.96	0.14	-57.23
CCC[N@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578522	0	48	0.0	-74.58	378.58	5.54	-69.04
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578522	1	48	0.0	-74.55	379.32	5.56	-68.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025578523	0	33	-1.0	-45.67	342.45	3.32	-42.35
CC1=NC2=CC=C(Br)C=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578524	0	35	-1.0	-47.34	322.36	3.13	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=CC=C1O	REAL300025578525	0	41	-1.0	-49.47	354.93	4.54	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)C=CS1	REAL300025578526	0	34	-1.0	-46.34	315.88	4.23	-42.11
CC(=O)C1=CC=CC(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578527	0	39	-1.0	-59.10	336.24	3.21	-55.89
CC1=NN(CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025578528	0	43	-1.0	-48.17	364.93	4.10	-44.07
CCCN(CC)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025578529	0	43	-1.0	-46.58	356.92	4.02	-42.56
O=C(CN1C=CC2=CC([N+](=O)[O-])=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578530	0	36	-1.0	-53.52	329.20	4.35	-49.17
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025578531	0	31	-1.0	-47.70	288.96	1.47	-46.23
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025578532	0	38	-2.0	-112.51	363.62	-0.59	-113.10
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCSCC1	REAL300025578533	0	43	-1.0	-45.47	359.66	3.23	-42.24
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC3=CNN=C3C=C2)C1	REAL300025578534	0	47	-1.0	-54.74	387.34	2.04	-52.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CCC2=CC=CC=C2)=CC=C1O	REAL300025578535	0	44	-1.0	-48.93	376.43	5.32	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C2OCOC2=C1	REAL300025578536	0	44	-1.0	-58.23	368.02	2.44	-55.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=NNC=N2)=N1	REAL300025578537	0	29	-1.0	-50.23	287.39	-0.55	-50.78
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025578538	0	33	-1.0	-52.56	304.29	1.50	-51.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2N1	REAL300025578539	0	31	-1.0	-47.23	298.06	2.07	-45.16
COC1=CC(N2C=CC=C2)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578540	0	39	-1.0	-46.88	349.13	5.47	-41.41
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025578541	0	33	-1.0	-47.33	298.76	2.27	-45.06
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025578542	0	46	0.0	-74.17	364.65	5.19	-68.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC=CC=C2)=N1	REAL300025578543	0	37	-1.0	-46.48	323.08	2.59	-43.89
CCCN(CCC)C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578544	0	45	-1.0	-45.32	370.08	2.95	-42.37
CC(OC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578545	0	34	-1.0	-50.86	306.18	2.85	-48.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1CC1=CC=NC=C1	REAL300025578546	0	37	-1.0	-47.04	320.64	2.87	-44.17
O=C(CNS(=O)(=O)C1=CC=C2COCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025578547	0	40	-1.0	-52.55	357.99	-2.78	-55.33
CC[N@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025578548	0	48	0.0	-71.78	366.64	4.89	-66.89
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025578548	1	48	0.0	-71.85	360.96	4.62	-67.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=N2)N=N1	REAL300025578549	0	35	-1.0	-44.06	336.49	1.48	-42.58
CC1=CC=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578550	0	30	-1.0	-45.62	286.45	3.29	-42.33
CCCNC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578551	0	45	-1.0	-53.33	382.15	1.34	-51.99
CC1CCC(NS(=O)(=O)CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578552	0	44	-1.0	-56.25	360.44	-1.20	-57.45
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C1=CC=C(Br)C=C1	REAL300025578553	0	38	-1.0	-45.53	342.15	4.79	-40.74
COCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025578554	0	40	-1.0	-45.77	347.44	-0.93	-46.70
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL300025578555	0	40	-1.0	-44.95	315.02	4.36	-40.59
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578556	0	37	-1.0	-44.63	340.96	4.94	-39.69
O=C(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578557	0	39	-1.0	-52.93	357.64	1.84	-51.09
CC1=NC(C2=CC=CO2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578558	0	36	-1.0	-46.88	316.16	2.18	-44.70
CC1=NC(C2=CSC=C2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578559	0	36	-1.0	-47.16	322.09	2.96	-44.20
O=C(CC1CCCC1)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578560	0	53	-1.0	-51.99	412.50	3.56	-48.43
O=C(CC1CCCCC1)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578561	0	56	-1.0	-51.74	429.15	4.20	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=C(F)C=C2)=N1	REAL300025578562	0	36	-1.0	-47.48	340.30	3.09	-44.39
CCCOC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025578563	0	43	-1.0	-45.00	383.35	3.38	-41.62
O=C(CCC1=NN=C(C2=CC3=CC=CC=C3O2)O1)NCCC1=NC(=O)O[N-]1	REAL300025578564	0	41	-1.0	-49.84	369.25	-0.62	-50.46
CCC(C)C(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578565	0	46	-1.0	-53.03	360.86	2.45	-50.58
CS(=O)(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025578566	0	35	-1.0	-54.95	322.24	-1.68	-56.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025578567	0	36	-1.0	-44.49	349.60	3.36	-41.13
O=C(CCNC(=O)C1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578568	0	43	-1.0	-54.90	350.19	0.93	-53.97
CS(=O)(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578569	0	33	-1.0	-57.25	313.07	-2.09	-59.34
O=C(NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1)C1CCCC1	REAL300025578570	0	50	-1.0	-47.17	387.90	3.24	-43.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NN=C2)C=C1	REAL300025578571	0	33	-1.0	-52.01	294.07	4.51	-47.50
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1Cl	REAL300025578572	0	33	-1.0	-45.56	305.35	3.45	-42.11
CC1=NC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025578573	0	38	-1.0	-54.94	345.56	-3.19	-58.13
CC1=NC(S(=O)(=O)NCCC(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025578574	0	41	-1.0	-56.25	367.60	-2.56	-58.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CCCC1	REAL300025578575	0	44	-1.0	-51.28	361.27	2.94	-48.34
COCCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578576	0	40	-1.0	-51.75	359.09	-0.94	-52.69
CC(C)COC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578577	0	47	-1.0	-50.85	380.39	2.83	-48.02
CC(=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025578578	0	43	-1.0	-47.93	363.76	3.53	-44.40
CC(=O)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025578579	0	41	-1.0	-48.57	356.42	2.71	-45.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OCC1CC1	REAL300025578580	0	38	-1.0	-51.63	324.16	4.60	-47.03
CC1=CC=CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025578581	0	36	-1.0	-45.23	322.06	1.90	-43.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1I	REAL300025578582	0	27	-1.0	-43.37	271.45	2.68	-40.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025578583	0	33	-1.0	-47.87	318.72	2.57	-45.30
CCC(C)N1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C)N=C21	REAL300025578584	0	44	-1.0	-48.64	367.80	3.43	-45.21
O=C(CC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578585	0	30	-1.0	-47.09	289.22	2.83	-44.26
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CO2)O1	REAL300025578586	0	36	-1.0	-56.12	327.26	-0.66	-56.78
O=C(CCC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578587	0	33	-1.0	-45.22	321.25	3.99	-41.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)N=C1	REAL300025578588	0	40	-1.0	-45.81	352.18	2.25	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(O)C=C2)=N1	REAL300025578589	0	34	-1.0	-46.35	321.56	-0.50	-46.85
O=C(CC1=CSC(C2=CC=CC(C(F)(F)F)=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578590	0	39	-1.0	-50.77	370.64	4.18	-46.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=NC=CC=N2)S1	REAL300025578591	0	31	-1.0	-50.02	301.94	-0.18	-50.20
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1C(C)C	REAL300025578592	0	45	-1.0	-51.84	377.46	5.26	-46.58
CCN1C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578593	0	31	-1.0	-43.83	291.69	2.48	-41.35
CC1=CC=C(CCC(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578594	0	43	-1.0	-45.48	369.70	2.19	-43.29
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)NC2(CCCC2)C1=O	REAL300025578595	0	42	-1.0	-52.52	347.30	0.40	-52.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=CC=C2)=C1	REAL300025578596	0	37	-1.0	-49.43	330.13	1.92	-47.51
CC(C)OC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025578597	0	43	-1.0	-45.22	379.75	3.21	-42.01
N#CC1=CC=CC(OCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)OC=C2)=C1	REAL300025578598	0	39	-1.0	-45.11	356.83	3.29	-41.82
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CSC=C2)O1	REAL300025578599	0	36	-1.0	-53.34	335.95	0.27	-53.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300025578600	0	38	-1.0	-47.01	348.67	4.92	-42.09
CC1=NN(CCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1[N+](=O)[O-]	REAL300025578601	0	38	-1.0	-46.66	342.78	1.99	-44.67
COC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578602	0	38	-1.0	-46.90	323.77	2.82	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2N=CC=C2C(F)(F)F)=C1	REAL300025578603	0	37	-1.0	-51.81	335.07	3.35	-48.46
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025578604	0	33	-1.0	-53.76	316.72	-0.43	-54.19
O=C(NCCC1=NC(=O)O[N-]1)C(OC1CCCC1)C1=CC=CC=C1	REAL300025578605	0	44	-1.0	-48.50	366.54	5.39	-43.11
CC(C)(C)C1=CC=C(CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578606	0	51	-1.0	-46.00	408.52	6.91	-39.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300025578607	0	36	-1.0	-45.88	336.61	1.01	-44.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=N1	REAL300025578608	0	37	-1.0	-44.09	314.63	0.20	-43.89
COC1=CC=C(CN2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1	REAL300025578609	0	45	-1.0	-50.50	381.71	2.41	-48.09
CC(NC(=O)C1=C2C=CC=CC2=NN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578610	0	40	-1.0	-47.83	348.89	-0.42	-48.25
CC(NC(=O)C1=NNC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578610	1	40	-1.0	-49.77	350.70	-0.45	-50.22
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1S(=O)(=O)C1=CC=CS1	REAL300025578611	0	39	-1.0	-60.34	353.34	1.03	-59.31
O=C(CCNC(=O)C1=C2C=CC=CC2=NN1)NCCC1=NC(=O)O[N-]1	REAL300025578612	0	40	-1.0	-57.41	351.46	-0.63	-58.04
O=C(CCNC(=O)C1=NNC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578612	1	40	-1.0	-56.63	353.27	-0.66	-57.29
CC(NC(=O)CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578613	0	46	-1.0	-44.44	366.29	1.83	-42.61
N#CC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578614	0	35	-1.0	-46.62	323.07	0.42	-46.20
O=C(CCC1CCCC1)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578615	0	43	-1.0	-44.57	352.59	1.11	-43.46
CC1=CC(C(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025578616	0	46	-1.0	-59.44	381.47	4.91	-54.53
CC1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578617	0	37	-1.0	-49.19	322.37	3.29	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300025578618	0	48	-1.0	-62.66	396.60	4.07	-58.59
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300025578618	1	47	-2.0	-129.13	391.05	3.79	-125.34
CS(=O)(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025578619	0	39	-1.0	-54.24	354.72	0.33	-53.91
CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578620	0	38	-1.0	-55.13	321.88	2.42	-52.71
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2CC2)=N1	REAL300025578621	0	40	-1.0	-51.71	350.38	4.50	-47.21
CC(C)(C)C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578622	0	38	-1.0	-48.92	334.67	1.71	-47.21
CC1(C)CC2=C(SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C2=CC=CC=C21	REAL300025578623	0	44	-1.0	-45.48	372.43	6.19	-39.29
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025578624	0	45	0.0	-68.36	359.58	3.38	-64.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025578624	1	45	0.0	-68.39	359.51	3.38	-65.01
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025578625	0	37	-1.0	-43.97	336.56	4.55	-39.42
COCCOCC(=O)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578626	0	51	-1.0	-52.53	413.07	0.92	-51.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=C(F)C=C2)S1	REAL300025578627	0	36	-1.0	-46.83	340.22	3.24	-43.59
O=C(CN1C2=CC=CC=C2CCCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025578628	0	41	-1.0	-52.51	338.13	3.58	-48.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=NN2C1CCCC1	REAL300025578629	0	42	-1.0	-46.72	353.39	3.62	-43.10
CCCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025578630	0	42	-1.0	-52.81	377.13	5.08	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2Cl)C(C2CC2)=N1	REAL300025578631	0	40	-1.0	-53.45	366.88	5.23	-48.22
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025578632	0	39	-1.0	-52.48	369.34	4.52	-47.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)O1	REAL300025578633	0	34	-1.0	-47.87	328.89	1.90	-45.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCOC2=C1	REAL300025578634	0	33	-1.0	-46.44	308.09	1.37	-45.07
COC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578635	0	31	-1.0	-48.05	291.91	2.72	-45.33
O=C(CNC(=O)CC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578636	0	43	-1.0	-44.48	346.73	0.98	-43.50
COC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(F)(F)F	REAL300025578637	0	44	-1.0	-49.75	389.50	3.61	-46.14
O=C(CNS(=O)(=O)C1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025578638	0	32	-1.0	-49.04	331.01	-2.46	-51.50
COC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025578639	0	41	-1.0	-48.04	337.92	3.14	-44.90
CC1=C(C2=CC=CC(Cl)=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578640	0	37	-1.0	-44.52	351.28	5.39	-39.13
CC1=C([N+](=O)[O-])C(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025578641	0	37	-1.0	-41.77	330.28	4.29	-37.48
CC(C)OC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578642	0	40	-1.0	-48.71	336.02	3.13	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)N=N1	REAL300025578643	0	32	-1.0	-46.42	293.87	2.11	-44.31
O=C(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)NCCC1=NC(=O)O[N-]1	REAL300025578644	0	33	-1.0	-56.46	327.52	3.79	-52.67
CC1=C2C(=NN1)N=C(C)C=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578645	0	35	-1.0	-48.44	303.36	0.67	-47.77
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CCC(C)C	REAL300025578646	0	51	-1.0	-46.68	420.51	6.40	-40.28
CCCCN1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025578647	0	48	-1.0	-46.88	402.96	5.89	-40.99
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCO1	REAL300025578648	0	50	-1.0	-48.39	415.06	4.75	-43.64
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCCC1	REAL300025578649	0	52	-1.0	-46.12	411.40	6.50	-39.62
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C)C=C1	REAL300025578650	0	49	-1.0	-45.86	420.90	7.54	-38.32
CC1=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(F)C=C1	REAL300025578651	0	46	-1.0	-45.60	405.92	6.93	-38.67
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025578652	0	49	-1.0	-46.10	403.73	3.72	-42.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1Cl	REAL300025578653	0	26	-1.0	-44.63	272.29	0.80	-43.83
COC1=CC=C(CCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578654	0	46	-1.0	-49.08	383.33	4.67	-44.41
CN(C)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578655	0	37	-1.0	-52.03	314.90	1.40	-50.63
CCCC(C)(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578656	0	49	-1.0	-42.81	382.74	1.62	-41.19
CCCC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578657	0	38	-1.0	-53.94	328.16	2.31	-51.63
O=C(CCC1=CC=C(OC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578658	0	37	-1.0	-45.17	335.33	2.82	-42.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2CC2)N=C1	REAL300025578659	0	37	-1.0	-44.66	323.95	0.79	-43.87
CC(C)C(SCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578660	0	43	-1.0	-48.25	363.56	5.80	-42.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC2=C1OCCO2	REAL300025578661	0	35	-1.0	-46.96	313.68	2.48	-44.48
O=C(CCC1=CC=CC(OC2CCCC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578662	0	47	-1.0	-46.59	384.06	5.24	-41.35
O=C(COC1=CC=CC=C1OCC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025578663	0	38	-1.0	-56.97	347.52	3.24	-53.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CNC(=O)C2CCCC2)C=C1	REAL300025578664	0	47	-1.0	-49.48	388.83	3.25	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025578665	0	39	-1.0	-54.81	319.35	-3.11	-57.92
CCCCCS(=O)(=O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578666	0	38	-1.0	-62.20	335.41	-0.52	-62.72
CCCCC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578667	0	41	-1.0	-54.22	349.66	3.09	-51.13
CCC=C(C)C(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578668	0	42	-1.0	-55.49	346.15	3.19	-52.30
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578669	0	47	-1.0	-50.71	391.01	7.11	-43.60
CN1N=C(Br)C2=C1N=CN(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025578670	0	35	-1.0	-59.73	337.99	1.92	-57.81
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)C1CCCCC1	REAL300025578671	0	46	-1.0	-53.23	369.55	2.06	-51.17
O=C(CCC1=CC=CC=C1OC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025578672	0	37	-1.0	-46.44	334.15	2.88	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)S1	REAL300025578673	0	32	-1.0	-46.54	306.46	0.76	-45.78
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)N1CCS(=O)(=O)CC1	REAL300025578674	0	45	-1.0	-50.95	376.59	-0.48	-51.43
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC(C)C)=N1	REAL300025578675	0	38	-1.0	-43.74	330.56	2.22	-41.52
CC1=CC=CC=C1C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578676	0	36	-1.0	-44.73	330.57	3.09	-41.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2Cl)=N1	REAL300025578677	0	33	-1.0	-45.78	320.89	2.64	-43.14
CC(C)(C)C1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578678	0	48	-1.0	-47.55	387.03	6.13	-41.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300025578679	0	40	-1.0	-49.09	350.06	6.19	-42.90
CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578680	0	40	-1.0	-45.02	331.86	-0.74	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1Cl	REAL300025578681	0	27	-1.0	-45.34	283.60	3.14	-42.20
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578682	0	34	-1.0	-47.14	327.75	3.72	-43.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=N1	REAL300025578683	0	26	-1.0	-42.24	261.84	0.43	-41.81
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025578684	0	36	-1.0	-55.03	323.46	2.95	-52.08
CCC(=O)C1=CC=C(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578685	0	48	-1.0	-50.12	403.70	4.69	-45.43
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025578686	0	45	-1.0	-50.43	389.01	3.51	-46.92
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1COCC(=O)N1CC1=CC=CC=C1	REAL300025578687	0	42	-1.0	-49.15	354.45	1.30	-47.85
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL300025578688	0	34	-1.0	-44.84	312.90	3.98	-40.86
N#CC1=CC=C(OCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025578689	0	39	-1.0	-48.72	360.14	3.38	-45.34
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025578690	0	30	-1.0	-46.79	288.60	3.16	-43.63
COC1=CC=CC=C1C(C)=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578691	0	38	-1.0	-46.57	326.88	2.88	-43.69
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)C1CCCC1	REAL300025578692	0	43	-1.0	-53.27	351.42	1.39	-51.88
CC(SC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578693	0	35	-1.0	-48.11	325.82	3.53	-44.58
CC1(C)CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025578694	0	43	-1.0	-45.94	338.38	4.85	-41.09
O=C(CCC1=NC(C2=NC=CC=N2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025578695	0	36	-1.0	-53.67	330.93	-1.08	-54.75
O=C(CC1=CNC2=CC(Cl)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025578696	0	34	-1.0	-49.77	316.55	2.78	-46.99
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578697	0	37	-1.0	-54.78	331.77	3.74	-51.04
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)CC1	REAL300025578698	0	44	-1.0	-44.97	354.69	2.81	-42.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)N=C1	REAL300025578699	0	38	-1.0	-45.28	317.05	1.46	-43.82
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)OCC(F)(F)F	REAL300025578700	0	38	-1.0	-53.09	343.83	1.24	-51.85
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025578701	0	39	-1.0	-49.34	328.33	1.92	-47.42
O=C(CNC(=O)C1=CC=C(O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578702	0	35	-1.0	-46.71	313.24	-2.81	-49.52
O=C(CSCC1CCCCO1)NCCC1=NC(=O)O[N-]1	REAL300025578703	0	38	-1.0	-49.75	327.14	1.72	-48.03
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025578704	0	40	-1.0	-46.48	344.49	2.03	-44.45
CCCS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578705	0	41	-1.0	-50.22	359.67	-0.06	-50.28
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(C#N)C=C1	REAL300025578706	0	42	-1.0	-49.06	370.82	5.88	-43.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1N1CCOCC1	REAL300025578707	0	39	-1.0	-49.20	326.34	0.71	-48.49
CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578708	0	47	-1.0	-44.18	367.40	-0.36	-44.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CSC2=NNC=N2)C=C1	REAL300025578709	0	37	-1.0	-52.96	343.06	3.63	-49.33
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(N)C([N+](=O)[O-])=C1	REAL300025578710	0	34	-1.0	-46.89	299.09	1.26	-45.63
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)OC	REAL300025578711	0	44	-1.0	-54.99	380.14	3.13	-51.86
N#CC1=CC=C(OC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025578712	0	39	-1.0	-50.24	352.85	4.79	-45.45
COC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578713	0	40	-1.0	-45.64	355.78	3.75	-41.89
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=C2C=CSC2=NC=N1	REAL300025578714	0	40	-1.0	-52.92	347.70	2.68	-50.24
CC1=CC2=NC(C3=CC=CC=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1C	REAL300025578715	0	48	-1.0	-47.83	394.34	6.76	-41.07
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578716	0	43	-1.0	-45.90	362.73	3.36	-42.54
N#CC1=CC=C(N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578717	0	40	-1.0	-50.28	345.78	2.78	-47.50
COC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578718	0	35	-1.0	-56.82	310.23	-0.24	-57.06
COC1=CC=CC=C1C(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578719	0	40	-1.0	-47.98	330.67	2.84	-45.14
CCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578720	0	44	-1.0	-51.45	379.32	3.92	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C3OCOC3=C2)S1	REAL300025578721	0	36	-1.0	-47.91	336.12	1.12	-46.79
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025578722	0	40	-1.0	-51.87	333.32	1.24	-50.63
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578723	0	49	-1.0	-44.15	377.64	1.71	-42.44
N#CCCN(C(=O)CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578724	0	44	-1.0	-50.91	385.29	4.34	-46.57
O=C(CC(C1=CC=CC=C1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025578725	0	36	-1.0	-44.64	318.05	3.63	-41.01
CCOC1=CC=CC=C1C(CC(=O)NCCC1=NC(=O)O[N-]1)NC(C)=O	REAL300025578726	0	47	-1.0	-46.26	387.17	1.60	-44.66
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300025578727	0	36	-1.0	-52.74	348.36	3.95	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CN=CC=N2)=N1	REAL300025578728	0	31	-1.0	-48.56	300.90	-1.38	-49.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC(C(F)(F)F)=C1	REAL300025578729	0	41	-1.0	-55.19	359.63	3.66	-51.53
CCCN(CCC)C(=O)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578730	0	48	-1.0	-57.12	391.58	3.73	-53.39
CC1=NC2=CC(=O)NN2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578731	0	39	-1.0	-58.98	334.22	0.26	-58.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578731	1	38	-2.0	-110.21	331.31	-0.58	-110.79
O=C(CC(C1=CC=CC=C1)N1CCOC1=O)NCCC1=NC(=O)O[N-]1	REAL300025578732	0	42	-1.0	-61.30	352.43	3.12	-58.18
CC(C)(C)OC(=O)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025578733	0	50	-1.0	-48.07	390.28	2.11	-45.96
CC(C)N(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025578734	0	49	-1.0	-48.28	389.38	3.21	-45.07
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578735	0	50	-1.0	-45.00	396.52	2.37	-42.63
CN1CCN(C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025578736	0	47	-1.0	-46.21	377.14	0.73	-45.48
C[NH+]1CCN(C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025578736	1	48	0.0	-63.38	376.92	3.25	-60.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2CCOCC2)=C1	REAL300025578737	0	43	-1.0	-48.63	351.28	0.44	-48.19
CC[N@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578738	0	42	0.0	-58.56	335.95	4.08	-54.48
CC[N@@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578738	1	42	0.0	-58.13	336.89	4.07	-54.06
CCN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578738	1	41	-1.0	-46.20	336.81	2.17	-44.03
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300025578739	0	41	-1.0	-52.82	358.36	2.34	-50.48
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025578740	0	39	-1.0	-44.89	353.59	2.91	-41.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C2OCCOC2=C1	REAL300025578741	0	42	-1.0	-46.79	361.70	0.86	-45.93
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(Cl)=C1	REAL300025578742	0	42	-1.0	-43.77	375.42	3.70	-40.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=N2)C=C1	REAL300025578743	0	37	-1.0	-47.31	346.65	2.41	-44.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)NC1=O	REAL300025578744	0	37	-1.0	-50.98	308.33	1.17	-49.81
O=C(CC1=COC(C2=CC=CS2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578745	0	33	-1.0	-56.19	314.77	-0.24	-56.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=C1Cl	REAL300025578746	0	37	-1.0	-47.31	329.97	5.47	-41.84
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025578747	0	42	-1.0	-58.57	348.00	1.23	-57.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025578748	0	27	-2.0	-101.92	268.99	1.73	-100.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1O	REAL300025578748	1	28	-1.0	-48.34	272.56	0.73	-47.61
O=C(CC1(CC(=O)NC2=NC=CS2)CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578749	0	49	-1.0	-45.59	388.04	3.26	-42.33
O=C(CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025578749	1	48	-2.0	-92.15	384.75	2.13	-90.02
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1F)C1=CC=CC=C1	REAL300025578750	0	41	-1.0	-52.34	366.71	6.03	-46.31
CCCC(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578751	0	43	-1.0	-57.83	341.68	3.34	-54.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC([N+](=O)[O-])=C2)N=N1	REAL300025578752	0	35	-1.0	-50.53	328.86	1.91	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300025578753	0	41	-1.0	-45.92	371.65	6.02	-39.90
O=C(CCCCCC1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025578754	0	39	-1.0	-47.43	344.05	4.46	-42.97
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300025578755	0	41	-1.0	-49.94	371.13	6.01	-43.93
CC1=CC=C(SC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C(C)=C1	REAL300025578756	0	47	-1.0	-48.43	398.85	7.14	-41.29
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=CC=C1Cl)C1=CC=CC=C1	REAL300025578757	0	41	-1.0	-50.57	375.95	6.44	-44.13
NC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025578758	0	38	-1.0	-47.38	337.91	-0.75	-48.13
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025578759	0	52	0.0	-62.99	401.76	6.42	-56.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025578760	0	35	-1.0	-53.17	318.19	1.29	-51.88
CC1=CC=CC(COC2=CC=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025578761	0	47	-1.0	-50.31	400.61	6.16	-44.15
CC1=CC=CC=C1COC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578762	0	47	-1.0	-50.46	395.37	6.18	-44.28
O=C(CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578763	0	44	-1.0	-49.42	395.94	6.02	-43.40
O=C(CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578764	0	44	-1.0	-49.47	392.36	6.08	-43.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(F)C=C2)C=C1F	REAL300025578765	0	37	-1.0	-51.53	328.33	5.09	-46.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C(F)F)=NC2=C1	REAL300025578766	0	33	-1.0	-50.90	304.05	1.20	-49.70
COC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1SC	REAL300025578767	0	37	-1.0	-53.02	336.34	3.60	-49.42
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578768	0	41	-1.0	-51.70	357.82	3.12	-48.58
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL300025578769	0	46	-1.0	-45.89	360.84	3.08	-42.81
CCCN(CCC)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578770	0	49	-1.0	-56.23	398.73	4.78	-51.45
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=CC1=O	REAL300025578771	0	36	-1.0	-58.87	326.44	3.97	-54.90
COC(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578772	0	39	-1.0	-48.26	344.14	3.69	-44.57
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025578773	0	44	-1.0	-44.78	383.57	1.41	-43.37
CC(C)C(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578774	0	42	-1.0	-45.29	332.02	4.30	-40.99
COCCN1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C(C)=C1C	REAL300025578775	0	47	-1.0	-49.80	391.79	4.33	-45.47
CC(C)COC1=NC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578776	0	39	-1.0	-51.69	331.79	1.90	-49.79
CN(C)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578777	0	37	-1.0	-57.90	315.47	1.39	-56.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025578778	0	35	-2.0	-92.79	329.30	1.12	-91.67
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300025578779	0	47	-1.0	-47.11	372.69	0.93	-46.18
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578780	0	50	-1.0	-45.02	396.61	2.37	-42.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=O)C2=C1	REAL300025578781	0	31	-1.0	-49.82	287.63	-1.57	-51.39
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578782	0	53	0.0	-59.14	407.69	6.78	-52.36
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578782	1	53	0.0	-57.16	400.51	6.51	-50.65
O=C(CCCCCC1=CC=C(O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578783	0	43	-1.0	-49.53	364.84	2.52	-47.01
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578784	0	42	0.0	-64.43	337.03	4.59	-59.84
CN(C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578784	1	41	-1.0	-44.30	329.55	1.46	-42.84
CC(C)C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025578785	0	33	-1.0	-44.18	307.15	0.51	-43.67
CC(C)(C)NS(=O)(=O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578786	0	37	-1.0	-56.40	311.85	-3.04	-59.44
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025578787	0	51	0.0	-71.72	397.80	4.10	-67.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CN=C1	REAL300025578788	0	44	-1.0	-46.94	355.43	1.19	-45.75
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300025578788	1	45	0.0	-61.31	357.06	3.25	-58.06
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300025578788	1	45	0.0	-61.94	347.64	3.19	-58.75
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578789	0	49	0.0	-60.12	383.55	5.78	-54.34
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578789	1	49	0.0	-60.27	374.17	5.63	-54.64
CC1=CC=CC(CN2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578789	1	48	-1.0	-48.03	381.97	3.70	-44.33
CCN(CC)S(=O)(=O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578790	0	37	-1.0	-56.77	324.73	-1.74	-58.51
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025578791	0	36	-1.0	-52.13	318.48	3.04	-49.09
COCCC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578792	0	47	-1.0	-50.25	395.86	3.12	-47.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(Br)=C1	REAL300025578793	0	37	-1.0	-46.61	340.48	3.72	-42.89
O=C(CN1CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578794	0	35	-1.0	-57.12	311.74	2.00	-55.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CN=C1	REAL300025578795	0	33	-1.0	-54.59	294.05	-0.27	-54.86
O=C(CCC1=NC2=CC=CNC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025578796	0	35	-1.0	-63.62	309.44	1.21	-62.41
CCC1=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025578797	0	40	-1.0	-50.74	342.75	3.69	-47.05
CC1=NC2=C(C(=O)NN2C)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578798	0	42	-1.0	-55.73	354.55	0.55	-55.18
CC(C)(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025578799	0	46	-1.0	-46.87	370.52	5.56	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300025578800	0	37	-1.0	-49.56	333.40	4.25	-45.31
COC1=CC=C(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025578801	0	41	-1.0	-49.04	359.27	2.46	-46.58
CC1OC2=C(C=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)NC1=O	REAL300025578802	0	36	-1.0	-52.58	312.28	0.69	-51.89
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)N2N=CC=C2N1	REAL300025578803	0	36	-1.0	-67.18	316.80	0.49	-66.69
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C(C)=C1	REAL300025578804	0	47	-1.0	-49.32	385.09	6.02	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300025578805	0	41	-1.0	-50.30	371.29	5.34	-44.96
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1CC1	REAL300025578806	0	41	-1.0	-47.56	341.20	4.54	-43.02
O=C(CC1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025578807	0	33	-1.0	-47.77	296.95	2.88	-44.89
O=C(CCCC1=CC=C2NC(=O)CC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025578808	0	41	-1.0	-51.66	352.91	2.26	-49.40
O=C(CC1=COC(C2=CC=C(Cl)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578809	0	36	-1.0	-53.68	340.46	1.35	-52.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)F)C=C2)S1	REAL300025578810	0	38	-1.0	-47.57	352.60	3.80	-43.77
CCCS(=O)(=O)C1=CC=CC=C1SC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578811	0	46	-1.0	-57.38	401.18	2.24	-55.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC2)C(F)=C1	REAL300025578812	0	39	-1.0	-44.69	323.50	1.93	-42.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCOCC2)C(F)=C1	REAL300025578813	0	40	-1.0	-44.52	337.12	0.67	-43.85
O=C(CCCC1=CC=C2NC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025578814	0	40	-1.0	-53.29	346.61	0.63	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300025578815	0	38	-1.0	-44.93	359.34	4.03	-40.90
O=C(COC1=CC=CC=C1OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025578816	0	45	-1.0	-55.69	387.86	5.84	-49.85
CC(C)(C)CC(=O)N1CSCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578817	0	44	-1.0	-52.50	359.86	3.21	-49.29
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578818	0	42	-1.0	-55.78	354.25	1.03	-54.75
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C(F)=C1	REAL300025578819	0	44	-1.0	-53.30	373.33	5.26	-48.04
CCN(CC)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578820	0	43	-1.0	-51.13	354.27	3.29	-47.84
CCN(C)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578821	0	40	-1.0	-59.38	335.43	2.37	-57.01
CCCN(CC)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578822	0	46	-1.0	-51.14	375.77	4.05	-47.09
COC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C(F)=C1	REAL300025578823	0	41	-1.0	-50.57	362.63	4.55	-46.02
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578824	0	36	-1.0	-44.24	328.69	4.24	-40.00
CN(C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1)C1=CC=CC=C1	REAL300025578825	0	44	-1.0	-59.29	365.61	4.55	-54.74
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300025578826	0	34	-1.0	-48.16	336.58	3.67	-44.49
O=C(CNC(=O)N1CCC2=CC=CC=C2C1)NCCC1=NC(=O)O[N-]1	REAL300025578827	0	43	-1.0	-46.38	358.46	2.01	-44.37
O=C(CCNC(=O)N1CCC2=CC=CC=C2C1)NCCC1=NC(=O)O[N-]1	REAL300025578828	0	46	-1.0	-56.46	380.59	2.64	-53.82
O=C(NCCC1=NC(=O)O[N-]1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300025578829	0	31	-2.0	-95.10	287.31	1.28	-93.82
CC1CCCN(S(=O)(=O)C2=CN(C)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025578830	0	49	-1.0	-49.04	408.91	1.49	-47.55
CCCC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025578831	0	35	-1.0	-49.20	319.92	0.93	-48.27
CN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025578832	0	38	-1.0	-44.38	335.72	1.76	-42.62
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025578832	1	39	0.0	-61.23	334.89	3.95	-57.28
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025578833	0	34	-2.0	-113.01	316.00	0.92	-112.09
O=C(CC1=CC=CC(OC(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578834	0	34	-1.0	-50.54	307.19	1.80	-48.74
CC(C)(C)OC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025578835	0	44	-1.0	-52.11	371.01	1.91	-50.20
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C=C1C	REAL300025578836	0	43	-1.0	-51.06	360.30	6.22	-44.84
CCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578837	0	46	-1.0	-44.21	367.02	0.53	-43.68
COCCOC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578838	0	45	-1.0	-54.76	391.45	2.49	-52.27
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=C3OCCOC3=C2)C1=O	REAL300025578839	0	44	-1.0	-53.73	364.69	1.82	-51.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)C(F)F)N=C1	REAL300025578840	0	36	-1.0	-47.70	336.43	0.61	-47.09
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300025578841	0	48	-1.0	-55.59	405.23	2.13	-53.46
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CN=C3)N=C2C=C1	REAL300025578842	0	44	-1.0	-48.19	372.50	4.43	-43.76
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025578843	0	34	-1.0	-48.98	328.05	0.36	-48.62
CN1C=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=N1	REAL300025578844	0	33	-1.0	-47.74	314.93	0.25	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C=C2)C1	REAL300025578845	0	38	-1.0	-54.58	328.99	2.57	-52.01
O=C(CN1N=CC2=C1N=CNC2=O)NCCC1=NC(=O)O[N-]1	REAL300025578846	0	32	-1.0	-59.54	296.41	-0.49	-60.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1	REAL300025578847	0	35	-1.0	-45.01	335.13	1.27	-43.74
CC1=NC2=C(C(=O)N(C)N2)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578848	0	45	-1.0	-51.40	375.65	1.84	-49.56
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(Cl)C=C1Cl	REAL300025578849	0	34	-1.0	-48.06	326.83	4.49	-43.57
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)C=C1	REAL300025578850	0	34	-1.0	-45.91	325.98	3.32	-42.59
CC(C)COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578851	0	43	-1.0	-48.14	360.89	3.94	-44.20
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C2C1	REAL300025578852	0	42	-1.0	-47.44	336.12	2.06	-45.38
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025578852	1	43	0.0	-62.96	338.53	4.52	-58.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025578852	1	43	0.0	-63.00	338.54	4.52	-58.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300025578853	0	32	-2.0	-85.00	299.95	-0.76	-85.76
CS(=O)(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578854	0	38	-1.0	-54.74	345.23	-1.17	-55.91
CC1CC2=CC=CC=C2N1CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL300025578855	0	46	-1.0	-46.85	372.08	3.43	-43.42
CCC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)C=C1	REAL300025578856	0	47	-1.0	-49.02	394.69	5.97	-43.05
COC1=CC=CC=C1CC(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578857	0	43	-1.0	-48.11	347.92	3.75	-44.36
O=C(CCC1=NC2=CC(C(F)(F)F)=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025578858	0	38	-1.0	-47.13	359.55	3.44	-43.69
O=C(CCC1=NC2=CC(Cl)=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025578859	0	35	-1.0	-46.86	337.79	2.95	-43.91
CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578860	0	50	-1.0	-49.03	422.99	2.78	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC=C2)C=C1	REAL300025578861	0	38	-1.0	-49.17	331.89	5.10	-44.07
O=C(CNC(=O)C1=CC2=C(CCC2)S1)NCCC1=NC(=O)O[N-]1	REAL300025578862	0	38	-1.0	-46.17	340.30	1.05	-45.12
CC(C)(C)OC(=O)NC(CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578863	0	53	-1.0	-48.48	434.42	4.24	-44.24
CC1=CC=C(C(=O)NC(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025578864	0	50	-1.0	-54.84	423.89	5.75	-49.09
O=C(CC1=CC=CC(OCC2=CC=CC(Cl)=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025578865	0	44	-1.0	-49.39	395.93	6.01	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Br)=C2)N=C1	REAL300025578866	0	34	-1.0	-47.40	325.57	3.31	-44.09
CS(=O)(=O)C1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578867	0	33	-1.0	-52.71	320.25	-0.31	-53.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CO2)S1	REAL300025578868	0	30	-1.0	-45.55	293.49	0.55	-45.00
N#CCN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025578869	0	35	-1.0	-49.05	315.77	3.69	-45.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)N=C1	REAL300025578870	0	44	-1.0	-45.19	345.10	2.62	-42.57
O=C(CCC1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025578871	0	30	-1.0	-44.24	301.03	2.74	-41.50
N#CC1=C(F)C=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578872	0	39	-1.0	-50.29	358.12	4.82	-45.47
O=C(CC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025578873	0	30	-1.0	-46.83	285.57	2.69	-44.14
CC1=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025578874	0	37	-1.0	-51.03	315.01	2.72	-48.31
CCOC1=CC2=C(C=C1C1CC1C(=O)NCCC1=NC(=O)O[N-]1)OC(C)C2	REAL300025578875	0	49	-1.0	-49.89	402.88	4.42	-45.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(Cl)C=C2)C=C1F	REAL300025578876	0	37	-1.0	-50.94	338.65	5.54	-45.40
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025578877	0	40	-1.0	-50.89	343.33	5.69	-45.20
COC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(F)=C2)C=C1	REAL300025578878	0	41	-1.0	-52.41	351.36	4.32	-48.09
CC1=C(C2=CC=CC=C2)OC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025578879	0	42	-1.0	-48.21	366.00	2.11	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCC(=O)N2	REAL300025578880	0	33	-1.0	-52.97	291.97	0.03	-52.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CC=C21	REAL300025578881	0	33	-1.0	-45.71	306.02	4.43	-41.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C(F)=C1	REAL300025578882	0	27	-1.0	-42.39	276.59	2.68	-39.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300025578883	0	34	-1.0	-54.25	305.96	2.90	-51.35
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Cl	REAL300025578884	0	36	-1.0	-47.05	332.31	2.36	-44.69
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025578885	0	41	-1.0	-46.10	376.38	6.43	-39.67
O=C(NCCC1=NC(=O)O[N-]1)C(SC1=CC(F)=CC=C1F)C1=CC=CC=C1	REAL300025578886	0	41	-1.0	-48.54	372.08	6.05	-42.49
CC1=CC=C2C(=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025578887	0	33	-1.0	-45.77	316.46	4.10	-41.67
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578888	0	52	-1.0	-49.08	432.97	6.30	-42.78
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578889	0	43	-1.0	-46.86	378.99	-0.97	-47.83
CN1C(=O)CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025578890	0	44	-1.0	-47.03	352.84	3.40	-43.63
O=C(CNC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025578891	0	36	-1.0	-53.80	346.59	1.23	-52.57
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025578892	0	46	-1.0	-45.32	391.32	5.13	-40.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300025578893	0	41	-1.0	-49.41	355.84	2.32	-47.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300025578894	0	40	-1.0	-46.69	356.43	1.29	-45.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2F)C=C1	REAL300025578895	0	38	-1.0	-46.96	345.93	4.57	-42.39
CC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCCC3)C=C1	REAL300025578896	0	47	-1.0	-48.35	386.66	5.64	-42.71
CC(C)(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025578897	0	46	-1.0	-50.87	399.51	5.36	-45.51
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC2=NC=CC=C12	REAL300025578898	0	41	-1.0	-46.86	355.81	2.22	-44.64
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025578899	0	46	-1.0	-44.54	386.40	2.57	-41.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C3OCCOC3=C2)=N1	REAL300025578900	0	39	-1.0	-46.61	355.05	1.51	-45.10
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=N1	REAL300025578901	0	37	-1.0	-52.10	339.72	3.36	-48.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2CCCC2)=C1	REAL300025578902	0	41	-1.0	-48.93	338.00	3.75	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC(C2=CC=CC=C2)=N1	REAL300025578903	0	43	-1.0	-46.05	379.84	3.78	-42.27
CC(C)(C)OC(=O)NCCOCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578904	0	44	-1.0	-54.14	368.93	-0.60	-54.74
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)CC(F)(F)F	REAL300025578905	0	43	-1.0	-56.00	363.13	2.49	-53.51
CC(OC1=CC=CC=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578906	0	34	-1.0	-51.86	314.71	3.33	-48.53
O=C(CN1N=CN2N=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578907	0	32	-1.0	-55.31	296.23	0.41	-54.90
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300025578908	0	48	-1.0	-50.02	399.12	6.77	-43.25
O=C(CC1CCC2=CC=CC=C2C1)NCCC1=NC(=O)O[N-]1	REAL300025578909	0	40	-1.0	-48.15	326.08	4.62	-43.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CS(=O)(=O)C1=CC=CC=C1	REAL300025578910	0	43	-1.0	-55.61	375.38	3.96	-51.65
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC=C1	REAL300025578911	0	38	-1.0	-44.75	325.18	3.35	-41.40
O=C(CCCSC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578912	0	37	-1.0	-48.17	350.91	4.87	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)OC=N1	REAL300025578913	0	33	-1.0	-46.88	299.24	-0.06	-46.94
CC(C)COC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578914	0	40	-1.0	-50.99	334.09	4.48	-46.51
O=C(CCCCOC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025578915	0	40	-1.0	-46.47	362.09	4.02	-42.45
CCOC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025578916	0	33	-1.0	-44.70	308.32	-0.23	-44.93
CSCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578917	0	47	-1.0	-45.30	404.85	3.41	-41.89
O=C(CC1CCCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578918	0	40	-1.0	-45.38	322.19	4.44	-40.94
O=C(CC1CCC(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025578919	0	46	-1.0	-46.88	365.01	5.93	-40.95
CC1(C)CCC(C)(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025578920	0	49	-1.0	-46.41	372.80	5.70	-40.71
CCOC1=CC=C(C(=O)N2CSCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578921	0	46	-1.0	-54.10	387.95	2.59	-51.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CN1	REAL300025578922	0	25	-1.0	-46.68	258.66	0.43	-46.25
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578923	0	43	-1.0	-48.44	367.21	1.15	-47.29
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)SC(Br)=C1	REAL300025578924	0	24	-1.0	-43.14	273.93	1.90	-41.24
CC(OC1=CC=C(F)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578925	0	34	-1.0	-50.92	316.74	3.29	-47.63
O=C(CCCCCNC(=O)NC1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025578926	0	54	-1.0	-51.71	431.81	2.11	-49.60
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC(Cl)=C1	REAL300025578927	0	41	-1.0	-48.08	361.79	3.41	-44.67
CC(=O)NCC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025578928	0	45	-1.0	-50.83	378.47	0.82	-50.01
COC1=C(OC)C=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025578929	0	39	-1.0	-47.70	335.72	0.70	-47.00
COCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578930	0	38	-1.0	-48.83	328.19	1.06	-47.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=CC=C([N+](=O)[O-])S1	REAL300025578931	0	40	-1.0	-55.44	362.48	2.46	-52.98
CC1=CC=C(S(=O)(=O)N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025578932	0	41	-1.0	-51.70	372.23	2.35	-49.35
CC1=CC(OC(F)F)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025578933	0	31	-1.0	-49.23	295.16	1.88	-47.35
O=C(CC1=CC=CC=C1OC(F)F)NCCC1=NC(=O)O[N-]1	REAL300025578934	0	34	-1.0	-50.10	306.00	1.86	-48.24
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578935	0	46	-1.0	-45.26	381.62	2.93	-42.33
CC(C)C1=CC=C2C(=C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2Cl	REAL300025578936	0	39	-1.0	-45.00	355.20	5.36	-39.64
CC1CCC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)CC1	REAL300025578937	0	47	-1.0	-47.58	370.22	3.15	-44.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=COC=C2)=N1	REAL300025578938	0	30	-1.0	-45.87	293.69	0.35	-45.52
CC1=CC=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025578939	0	37	-1.0	-47.64	319.91	3.63	-44.01
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2F)C(C)=C1	REAL300025578940	0	40	-1.0	-53.04	350.75	3.93	-49.11
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300025578941	0	41	-1.0	-48.73	357.55	3.80	-44.93
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300025578942	0	41	-1.0	-46.22	358.12	2.08	-44.14
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025578943	0	44	-1.0	-48.81	359.29	3.30	-45.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1	REAL300025578944	0	38	-1.0	-46.10	344.64	4.51	-41.59
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025578945	0	36	-1.0	-53.88	330.15	0.90	-52.98
O=C(CC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025578946	0	30	-1.0	-45.96	302.88	3.23	-42.73
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300025578947	0	36	-1.0	-42.93	339.77	2.27	-40.66
CN1C=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025578948	0	36	-1.0	-51.16	318.63	1.04	-50.12
CC(C)(C)CNC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578949	0	46	-1.0	-50.38	378.59	2.91	-47.47
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025578950	0	47	-1.0	-53.50	393.81	3.54	-49.96
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578951	0	49	-1.0	-57.75	387.09	4.22	-53.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300025578952	0	27	-2.0	-94.85	271.00	1.68	-93.17
CC1=NN=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025578953	0	35	-1.0	-50.20	316.12	-1.79	-51.99
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CN(C)N=C2)=N1	REAL300025578954	0	36	-1.0	-47.11	332.01	0.87	-46.24
CC1=CC=CC2=C1NC=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025578955	0	36	-1.0	-52.27	310.15	2.43	-49.84
CN1CCC(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025578956	0	40	-1.0	-51.31	331.60	-0.54	-51.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=CC=C2Cl)N=N1	REAL300025578957	0	36	-1.0	-45.24	353.09	3.35	-41.89
CC1=CC(F)=CC2=C1NC=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025578958	0	36	-1.0	-52.47	316.56	2.50	-49.97
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025578958	1	35	-2.0	-82.94	315.47	2.15	-80.79
CCN1C(=O)NC(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025578959	0	45	-1.0	-52.20	382.42	3.36	-48.84
COC1=CC=C(Cl)C=C1NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578960	0	39	-1.0	-48.00	348.06	1.06	-46.94
CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NN1	REAL300025578961	0	36	-1.0	-50.41	320.33	2.26	-48.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=NS1	REAL300025578962	0	33	-1.0	-44.37	308.15	2.75	-41.62
CC(C)(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(F)C=C2F)=N1	REAL300025578963	0	46	-1.0	-49.35	397.25	4.96	-44.39
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)C2=CC=NC=C2)C1	REAL300025578964	0	43	-1.0	-48.76	355.05	1.57	-47.19
COC1=CC=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025578965	0	37	-1.0	-45.30	326.56	2.85	-42.45
CC(C)C(CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578966	0	48	-1.0	-45.88	361.27	4.74	-41.14
CC(C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025578967	0	42	-1.0	-54.55	367.87	4.20	-50.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300025578968	0	39	0.0	-73.76	332.73	2.58	-71.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=NC=C2)C=C1	REAL300025578968	1	38	-1.0	-47.72	329.38	2.12	-45.60
COC1=CC=CC(NC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578969	0	43	-1.0	-50.56	363.17	3.46	-47.10
CC1=CC(F)=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025578970	0	40	-1.0	-44.36	351.95	5.76	-38.60
CC1=NN(CCCl)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578971	0	36	-1.0	-46.39	329.69	1.74	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=C(F)C=CC=C1F	REAL300025578972	0	34	-1.0	-45.89	300.23	3.54	-42.35
O=C(CCNC1=NC=C(C(F)(F)F)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025578973	0	37	-1.0	-47.51	353.07	2.07	-45.44
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC1=CC=NC=C1	REAL300025578974	0	40	-1.0	-50.14	348.56	3.39	-46.75
N#CC1=CC=C(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025578975	0	42	-1.0	-51.13	375.40	5.21	-45.92
CCC(CC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578976	0	39	-1.0	-43.80	341.15	4.85	-38.95
N#CCC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025578977	0	42	-1.0	-52.70	374.18	5.57	-47.13
COCCOC1=CC=C(N2N=C(C)C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025578978	0	47	-1.0	-45.53	405.42	1.24	-44.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(N2CCCC2)=C1	REAL300025578979	0	38	-1.0	-43.44	334.43	1.89	-41.55
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025578980	0	36	-2.0	-83.66	334.77	1.10	-82.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025578980	1	37	-1.0	-48.08	337.11	1.57	-46.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCC1	REAL300025578981	0	38	-1.0	-51.58	319.06	4.37	-47.21
COC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)O2)C=C1	REAL300025578982	0	40	-1.0	-44.13	350.89	0.12	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300025578983	0	47	-1.0	-50.71	376.20	6.76	-43.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=NC=C2)=C1	REAL300025578984	0	37	-1.0	-50.40	327.05	2.63	-47.77
C[NH+](C)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025578985	0	42	0.0	-55.55	348.82	3.80	-51.75
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578986	0	30	-1.0	-51.02	290.82	-2.86	-53.88
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578987	0	37	-1.0	-46.50	320.14	3.50	-43.00
N#CC1=CC(Cl)=CC=C1OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578988	0	39	-1.0	-53.31	370.43	5.35	-47.96
N#CC1=C(Cl)C=CC=C1OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578989	0	39	-1.0	-56.50	369.11	5.25	-51.25
CC1=CC=C(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025578990	0	43	-1.0	-51.01	371.07	3.63	-47.38
CC(C)N1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N=C1C(F)(F)F	REAL300025578991	0	42	-1.0	-51.33	364.31	4.16	-47.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=NC=C2)C(Cl)=C1	REAL300025578992	0	37	-1.0	-44.94	343.83	3.20	-41.74
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)C1=CC=CC=C1	REAL300025578993	0	44	-1.0	-55.38	356.71	3.75	-51.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(COC2=CC=CC(F)=C2)=C1	REAL300025578994	0	41	-1.0	-50.41	360.99	4.87	-45.54
N#CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578995	0	35	-1.0	-51.94	318.65	2.23	-49.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCC1	REAL300025578996	0	41	-1.0	-51.44	336.19	4.98	-46.46
O=C(CN1C(=O)CCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025578997	0	38	-1.0	-52.78	323.08	2.91	-49.87
CC1=CC=CC(N2C(=O)NC(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=O)=C1	REAL300025578998	0	45	-1.0	-55.78	380.04	1.81	-53.97
O=C(CCC1NC(=O)N(C2=CC=C(Cl)C=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025578999	0	42	-1.0	-53.77	375.33	1.67	-52.10
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC2=CC=CC=C21	REAL300025579000	0	40	-1.0	-48.95	330.48	5.60	-43.35
N#CC1=CC=CC(OCCCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579001	0	41	-1.0	-48.61	361.64	3.79	-44.82
CCC(SC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579002	0	37	-1.0	-46.61	324.77	3.86	-42.75
CS(=O)(=O)NC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579003	0	38	-1.0	-49.80	337.79	-0.99	-50.79
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=NC=CC=C2Cl)N=C1	REAL300025579004	0	36	-1.0	-55.37	337.53	4.04	-51.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(I)=C1	REAL300025579005	0	24	-1.0	-45.56	262.85	1.67	-43.89
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300025579006	0	47	-1.0	-48.39	375.11	4.11	-44.28
CC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025579007	0	36	-1.0	-46.93	320.17	0.60	-46.33
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCOC1=CC=CC=C12	REAL300025579008	0	39	-1.0	-47.16	321.34	3.48	-43.68
O=C(CN(CC1=CC=CO1)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579009	0	42	-1.0	-48.28	375.42	4.92	-43.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CCCCC2)N=C1	REAL300025579010	0	40	-1.0	-46.01	330.13	2.53	-43.48
CC1=CC=CC(Cl)=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579011	0	34	-1.0	-49.71	316.89	3.49	-46.22
CC1=C(C)N(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025579012	0	36	-1.0	-49.87	320.03	1.40	-48.47
O=C(CCC1=NN=C(C2=CC=C(Cl)C=C2)O1)NCCC1=NC(=O)O[N-]1	REAL300025579013	0	38	-1.0	-46.96	357.59	-0.49	-47.45
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579014	0	41	-1.0	-52.82	347.33	4.46	-48.36
O=C(NCCC1=NC(=O)O[N-]1)C1=C(OC(F)F)C=CS1	REAL300025579015	0	28	-1.0	-49.34	273.33	1.11	-48.23
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025579016	0	43	-2.0	-109.90	371.76	2.69	-107.21
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579017	0	47	-1.0	-45.45	362.84	3.84	-41.61
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC(Cl)=CC(Cl)=C1	REAL300025579018	0	34	-1.0	-46.97	321.40	4.50	-42.47
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579019	0	46	-1.0	-49.66	385.40	3.64	-46.02
CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579020	0	43	-1.0	-50.28	370.43	3.13	-47.15
N#CC1=CC=C(N2C(=O)NC(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025579021	0	43	-1.0	-55.27	378.89	1.59	-53.68
N#CC1=CC=CC(OCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025579022	0	42	-1.0	-52.22	375.42	5.20	-47.02
CCOC(=O)N1C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1C1=CC=C(C)O1	REAL300025579023	0	48	-1.0	-57.61	403.04	4.02	-53.59
O=C(CCC1=CC(Cl)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025579024	0	30	-1.0	-44.26	296.44	2.63	-41.63
CC(C)C(=O)N(C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579025	0	46	-1.0	-54.26	378.41	3.92	-50.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(C2=CC=CC=C2)=N1	REAL300025579026	0	36	-1.0	-43.74	321.43	0.71	-43.03
CC(C)=CCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579027	0	41	-1.0	-49.53	347.03	3.79	-45.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(NCC2=CC=CC=C2)=NC2=CC=CC=C21	REAL300025579028	0	47	-1.0	-47.26	396.37	5.41	-41.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=NC=CS2)=C1	REAL300025579029	0	34	-1.0	-52.29	318.48	0.27	-52.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CN=CC=N2)=C1	REAL300025579030	0	36	-1.0	-51.90	324.53	0.04	-51.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1SCC1CCCCC1	REAL300025579031	0	46	-1.0	-48.99	380.08	5.14	-43.85
O=C(CC1=CNC2=CC=C(F)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025579032	0	34	-1.0	-51.70	306.34	2.34	-49.36
N#CC1=CC=CC=C1OCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579033	0	42	-1.0	-55.31	374.80	5.24	-50.07
COC1=CC=C2C(=C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=C(C)N2C1CCCC1	REAL300025579034	0	51	-1.0	-52.04	405.50	5.29	-46.75
CC(OC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579035	0	34	-1.0	-47.64	314.77	3.36	-44.28
O=C(CCN1C(=O)CCC2=CC(F)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025579036	0	41	-1.0	-49.42	350.54	3.43	-45.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(Br)=C1	REAL300025579037	0	25	-1.0	-45.04	252.50	-0.10	-45.14
CCC1=NC(COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025579038	0	42	-1.0	-51.28	367.54	1.12	-50.16
CC(C)C1=NN(C)C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579039	0	36	-1.0	-45.19	329.49	1.46	-43.73
O=C(CC1OCCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025579040	0	38	-1.0	-48.67	316.45	3.13	-45.54
O=C(CC(CC1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025579041	0	46	-1.0	-49.31	381.01	6.95	-42.36
COCCOCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025579042	0	41	-1.0	-50.22	357.53	1.70	-48.52
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579043	0	44	-1.0	-50.75	374.82	-2.45	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC=N2)=N1	REAL300025579044	0	33	-1.0	-45.63	301.22	2.11	-43.52
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1Br	REAL300025579045	0	34	-1.0	-46.60	330.27	3.39	-43.21
CC1=CC=C(NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)N=N1	REAL300025579046	0	40	-1.0	-51.24	344.80	2.47	-48.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1Cl	REAL300025579047	0	39	-1.0	-63.54	352.18	0.56	-62.98
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)NC(C)(C)C	REAL300025579048	0	48	-1.0	-58.93	388.30	2.02	-56.91
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579049	0	44	-1.0	-52.55	377.78	2.29	-50.26
COC1=CC=C(COCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579050	0	41	-1.0	-46.47	352.86	1.62	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300025579051	0	37	-1.0	-50.26	343.79	3.70	-46.56
N#CC1=CC=C(NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025579052	0	40	-1.0	-49.10	355.50	4.27	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CN=CC=N2)=C1	REAL300025579053	0	37	-1.0	-49.66	322.99	0.99	-48.67
CC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1C	REAL300025579054	0	37	-1.0	-45.95	315.37	2.68	-43.27
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(F)=C1	REAL300025579055	0	34	-1.0	-44.19	304.27	2.18	-42.01
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025579056	0	41	-1.0	-43.17	350.07	1.86	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=N2)=CC=N1	REAL300025579057	0	33	-1.0	-53.62	299.30	1.02	-52.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCCC2)NC1=O	REAL300025579058	0	40	-1.0	-51.25	323.35	1.63	-49.62
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579059	0	44	-1.0	-49.07	357.64	1.60	-47.47
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579060	0	36	-1.0	-51.95	337.97	0.48	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=CC=CC=C2)=C1	REAL300025579061	0	39	-1.0	-49.87	334.68	3.87	-46.00
O=C(CN(CC1=CC=CN=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025579062	0	44	-1.0	-49.93	370.40	4.40	-45.53
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300025579063	0	42	0.0	-63.22	338.46	3.95	-59.27
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300025579063	1	42	0.0	-63.69	338.28	3.93	-59.76
CC(C(=O)NCCC1=NC(=O)O[N-]1)N(C)CC1=CC=CC=C1	REAL300025579063	1	41	-1.0	-47.26	331.74	1.72	-45.54
COC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579064	0	31	-1.0	-47.75	291.91	2.72	-45.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC=CC=N2)=N1	REAL300025579065	0	34	-1.0	-47.67	318.19	2.09	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1	REAL300025579066	0	29	-1.0	-45.78	288.23	2.72	-43.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)N=C1	REAL300025579067	0	33	-1.0	-42.83	308.69	1.23	-41.60
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025579068	0	39	-1.0	-46.53	341.49	4.45	-42.08
CC(C)C1=CC=C(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579069	0	45	-1.0	-44.79	363.00	5.39	-39.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1O	REAL300025579070	0	42	-1.0	-48.54	363.37	3.35	-45.19
CC1=C(Cl)C=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579071	0	34	-1.0	-50.20	310.97	3.25	-46.95
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579072	0	39	-1.0	-44.58	343.48	4.50	-40.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC=C(F)C=C21	REAL300025579073	0	33	-1.0	-47.99	296.58	0.68	-47.31
CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579074	0	49	-1.0	-47.63	382.47	0.69	-46.94
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025579075	0	42	-1.0	-45.85	342.45	4.76	-41.09
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579076	0	39	-1.0	-45.12	343.76	4.52	-40.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC([N+](=O)[O-])=N2)=C1	REAL300025579077	0	35	-1.0	-57.05	329.67	3.74	-53.31
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2)=N1	REAL300025579078	0	33	-1.0	-44.44	303.50	-0.00	-44.44
CN1C(=O)N(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Br)C=C21	REAL300025579079	0	37	-1.0	-49.13	339.71	3.08	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=CC(F)=CC=C21	REAL300025579080	0	33	-1.0	-43.76	296.21	0.65	-43.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300025579081	0	39	-1.0	-46.59	340.83	2.93	-43.66
CC(C)C([NH2+]C1CCOCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579082	0	46	0.0	-63.46	346.58	1.00	-62.46
CN(C)C(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579083	0	39	-1.0	-60.69	330.92	1.30	-59.39
O=C(CC1=CSC(C2=COC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025579084	0	33	-1.0	-52.98	314.68	1.18	-51.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(C(F)(F)F)=C2)N=N1	REAL300025579085	0	36	-1.0	-46.44	339.70	2.25	-44.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300025579086	0	29	-1.0	-45.96	287.74	2.83	-43.13
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC1=CN(C)N=C1	REAL300025579087	0	45	-1.0	-53.47	386.50	2.50	-50.97
O=C(CCC1=NC(C2=COC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025579088	0	35	-1.0	-48.41	322.17	-0.38	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2C=CC=N2)=C1	REAL300025579089	0	33	-1.0	-53.17	299.20	2.06	-51.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC=C2F)=N1	REAL300025579090	0	36	-1.0	-44.91	339.35	3.07	-41.84
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025579091	0	45	-1.0	-53.15	373.81	0.34	-52.81
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025579091	1	44	-2.0	-116.74	370.53	1.34	-115.40
CC1=CC=C(C)C(C(C)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C)=C1	REAL300025579092	0	54	-1.0	-48.25	428.98	6.81	-41.44
CC(C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579093	0	42	-1.0	-44.46	337.24	4.91	-39.55
O=C(CC1CN(CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025579094	0	46	-1.0	-50.08	375.43	2.25	-47.83
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025579094	1	47	0.0	-77.14	371.06	4.44	-72.70
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025579094	1	47	0.0	-77.13	371.13	4.44	-72.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CN1CCOCC1	REAL300025579095	0	43	-1.0	-45.95	346.28	1.51	-44.44
COC1=CC=C(NC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025579096	0	39	-1.0	-45.58	351.69	1.30	-44.28
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025579097	0	41	-1.0	-55.41	374.44	-0.40	-55.81
O=C(CC1=CNC2=CC=C(Cl)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025579098	0	34	-1.0	-50.73	316.64	2.78	-47.95
COC1=CC=CC(CC2(C(=O)NCCC3=NC(=O)O[N-]3)CC3CCC2C3)=C1	REAL300025579099	0	51	-1.0	-50.48	391.22	5.30	-45.18
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025579100	0	39	-1.0	-51.05	340.39	3.59	-47.46
O=C(CCCC1=NC(C2CC2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025579101	0	38	-1.0	-53.32	333.78	0.91	-52.41
CC1=CSC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025579102	0	36	-1.0	-48.68	329.54	3.02	-45.66
C=CCOC1=CC=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579103	0	38	-1.0	-48.41	344.40	4.61	-43.80
CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579104	0	46	-1.0	-48.96	358.93	0.11	-48.85
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300025579105	0	36	-1.0	-44.83	324.76	2.56	-42.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCCCC2)=N1	REAL300025579106	0	40	-1.0	-43.34	333.00	2.49	-40.85
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC=C2F)O1	REAL300025579107	0	36	-1.0	-46.91	327.53	1.19	-45.72
CN(CC(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300025579108	0	40	-1.0	-50.06	369.73	0.62	-49.44
CC(CCC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579109	0	39	-1.0	-48.44	333.41	4.40	-44.04
COCCC(CC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579110	0	43	-1.0	-44.97	374.82	3.93	-41.04
CSC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579111	0	38	-1.0	-49.44	333.67	3.74	-45.70
CCCNC(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579112	0	40	-1.0	-57.73	342.72	1.43	-56.30
CC(C)(C)OC(=O)NCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025579113	0	50	-1.0	-50.89	411.54	2.54	-48.35
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579114	0	41	-1.0	-54.89	354.60	2.22	-52.67
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300025579115	0	51	-1.0	-44.71	418.86	5.10	-39.61
CCC1=CC=C(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579116	0	42	-1.0	-44.93	345.66	4.90	-40.03
CCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C)C=C1	REAL300025579117	0	42	-1.0	-44.85	343.88	4.78	-40.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCC2)=N1	REAL300025579118	0	40	-1.0	-45.32	339.42	1.75	-43.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)(F)F)=C1	REAL300025579119	0	33	-1.0	-48.37	312.11	-0.33	-48.70
CC(C)CNC(=O)N1CCCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579120	0	51	-1.0	-60.81	399.20	2.54	-58.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(OC(F)F)C=C1F	REAL300025579121	0	31	-1.0	-48.60	298.74	1.07	-47.53
COCC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C(C)C	REAL300025579122	0	40	-1.0	-45.52	331.39	-0.72	-46.24
O=C(COC1=CC=CC=C1)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579123	0	48	-1.0	-52.97	393.98	4.27	-48.70
CC(C)=CCSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579124	0	41	-1.0	-49.45	352.15	5.38	-44.07
CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C1	REAL300025579125	0	48	-1.0	-57.06	391.35	1.20	-55.86
CC1=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025579126	0	37	-1.0	-50.91	321.07	2.92	-47.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCNC2=O)=CC=C1F	REAL300025579127	0	37	-1.0	-54.52	320.29	0.34	-54.18
CC(C)(C)C1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025579128	0	49	-1.0	-45.33	406.24	4.21	-41.12
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300025579129	0	54	-1.0	-43.77	434.44	5.49	-38.28
CC(SCC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579130	0	42	-1.0	-72.68	375.23	2.16	-70.52
CC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025579131	0	40	-1.0	-44.91	349.04	1.39	-43.52
O=C(NCCC1=NC(=O)O[N-]1)C1CN(CC2=CC=CC=C2)CCO1	REAL300025579132	0	43	-1.0	-47.86	354.31	1.53	-46.33
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300025579132	1	44	0.0	-69.82	350.46	3.83	-65.99
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300025579132	1	44	0.0	-69.84	350.54	3.83	-66.01
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)NC1=CC=CC=C1	REAL300025579133	0	46	-1.0	-60.81	388.35	3.70	-57.11
O=C(CCN1C(=O)CCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025579134	0	41	-1.0	-50.09	344.11	3.36	-46.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1	REAL300025579135	0	38	-1.0	-46.32	364.12	5.42	-40.90
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579136	0	45	-1.0	-51.96	382.36	1.63	-50.33
CC(C)C1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)C=C1	REAL300025579137	0	47	-1.0	-48.95	380.36	4.60	-44.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300025579138	0	43	-1.0	-52.96	385.32	3.02	-49.94
CC(C)CNC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579139	0	48	-1.0	-48.58	380.76	1.86	-46.72
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300025579140	0	49	-1.0	-44.26	406.49	3.24	-41.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC(Cl)=CC=C2Cl)C1=O	REAL300025579141	0	38	-1.0	-48.84	361.38	4.24	-44.60
CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)N=C1	REAL300025579142	0	44	-1.0	-48.53	356.74	2.74	-45.79
CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)[NH+]=C1	REAL300025579142	1	45	0.0	-65.90	357.52	3.04	-62.86
COCCNS(=O)(=O)C1=CNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579143	0	40	-1.0	-55.83	363.64	-4.62	-60.45
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025579144	0	46	0.0	-60.06	362.19	5.10	-54.96
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025579144	1	46	0.0	-60.20	352.70	4.95	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC=C1	REAL300025579144	1	45	-1.0	-47.61	360.02	2.86	-44.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300025579145	0	40	-1.0	-58.17	345.02	0.69	-57.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCOC2=O)=CC=C1F	REAL300025579146	0	36	-1.0	-58.16	316.52	1.69	-56.47
CC1=C2NC=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025579147	0	40	-1.0	-48.23	342.47	3.73	-44.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=C1	REAL300025579148	0	37	-1.0	-47.23	361.30	2.78	-44.45
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025579149	0	43	-2.0	-108.95	371.69	2.69	-106.26
CC1=CC=C(N2CCCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579150	0	42	-1.0	-48.57	340.16	3.85	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Cl)=C1[O-]	REAL300025579151	0	27	-2.0	-95.64	285.89	2.23	-93.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1CCCCC1	REAL300025579152	0	44	-1.0	-51.35	352.04	5.53	-45.82
CC(C)(C)C(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579153	0	46	-1.0	-49.49	384.22	2.60	-46.89
O=C(NCCC1=NC(=O)O[N-]1)C1COCC(=O)N1CC1=CC=CC=C1	REAL300025579154	0	42	-1.0	-49.01	353.12	1.27	-47.74
CCS(=O)(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579155	0	41	-1.0	-54.50	364.69	-0.75	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CCC(F)(F)F)OC=N1	REAL300025579156	0	32	-1.0	-45.66	301.43	-1.08	-46.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300025579157	0	32	-1.0	-52.69	308.69	3.89	-48.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025579158	0	27	-1.0	-42.66	270.28	2.20	-40.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300025579159	0	27	-2.0	-91.14	286.69	0.32	-90.82
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C=C(Cl)C=C1Cl	REAL300025579159	1	28	-1.0	-43.88	290.25	-0.46	-44.34
O=C(CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)NCCC1=NC(=O)O[N-]1	REAL300025579160	0	38	-1.0	-53.57	333.07	1.69	-51.88
O=C(COC1=CC(Cl)=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579161	0	31	-1.0	-47.74	310.31	3.13	-44.61
CC1=NC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=CS1	REAL300025579162	0	36	-1.0	-53.95	327.82	2.97	-50.98
O=C(CCN1C(=O)C2C3CCC(O3)C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025579163	0	42	-1.0	-49.69	343.34	-0.27	-49.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025579164	0	37	-1.0	-48.38	336.37	5.13	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC=N2)N=N1	REAL300025579165	0	35	-1.0	-49.40	320.52	-0.09	-49.49
CC1=C(C)C=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025579166	0	36	-1.0	-44.16	312.80	3.14	-41.02
CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579167	0	44	-1.0	-55.62	362.94	3.27	-52.35
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NC(C)=O)=C1OC	REAL300025579168	0	42	-1.0	-54.93	360.45	-0.12	-55.05
CC(CCC1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579169	0	39	-1.0	-48.77	332.57	4.37	-44.40
CN(CCCC(=O)NCCC1=NC(=O)O[N-]1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300025579170	0	45	-1.0	-67.06	388.58	0.88	-66.18
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025579171	0	36	-1.0	-45.02	316.69	3.57	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C(F)C=C1	REAL300025579172	0	35	-1.0	-53.65	313.61	3.13	-50.52
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025579173	0	43	-1.0	-47.83	385.47	0.57	-47.26
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025579174	0	33	-2.0	-102.18	307.77	3.83	-98.35
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C2=CC=CC=C2C(Cl)=C1	REAL300025579174	1	34	-1.0	-46.28	311.34	2.83	-43.45
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)NC2CCCC2)C1	REAL300025579175	0	49	-1.0	-48.84	384.49	2.50	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CN=C1	REAL300025579176	0	41	-1.0	-48.44	349.22	2.74	-45.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC(Cl)=C2)C1=O	REAL300025579177	0	38	-1.0	-47.31	337.39	3.20	-44.11
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579178	0	37	-1.0	-48.11	339.10	3.81	-44.30
CCCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025579179	0	42	-1.0	-54.36	368.49	4.53	-49.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2Cl)N=N1	REAL300025579180	0	36	-1.0	-45.54	358.91	1.49	-44.05
CC(C)(C)C(=O)N1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579181	0	44	-1.0	-50.83	348.24	0.86	-49.97
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025579182	0	46	-1.0	-44.09	383.11	5.62	-38.47
CCC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=C1	REAL300025579183	0	40	-1.0	-44.34	349.88	4.74	-39.60
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC2=CC=CC=C2C1	REAL300025579184	0	40	-1.0	-48.13	322.67	4.27	-43.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCC2)C=C1	REAL300025579185	0	38	-1.0	-45.94	321.18	3.13	-42.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1	REAL300025579186	0	38	-1.0	-46.02	365.45	5.44	-40.58
CC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579187	0	30	-1.0	-43.10	280.68	2.83	-40.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=C2OCCOC2=C1	REAL300025579188	0	41	-1.0	-56.64	351.65	2.21	-54.43
CC1=CC=C(CN2C(=O)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579189	0	44	-1.0	-52.01	371.81	3.85	-48.16
O=C(NCCC1=NC(=O)O[N-]1)C1CCSC2=CC=CC=C21	REAL300025579190	0	35	-1.0	-46.12	304.60	3.80	-42.32
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCO1	REAL300025579191	0	51	-1.0	-55.85	404.39	2.80	-53.05
O=C(CC1=NN(C2=CC=C(F)C=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579192	0	37	-1.0	-55.31	332.38	3.46	-51.85
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC(F)=C1)N1CCOCC1	REAL300025579193	0	43	-1.0	-44.46	357.18	1.06	-43.40
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1	REAL300025579194	0	53	-1.0	-51.79	424.80	4.05	-47.74
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C1=CC=CC=C1	REAL300025579195	0	38	-1.0	-46.34	321.03	4.17	-42.17
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1C=NC=N1	REAL300025579196	0	36	-1.0	-49.63	317.45	5.07	-44.56
CC1=CC(N2C=NC=N2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579197	0	36	-1.0	-50.55	312.50	4.73	-45.82
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1N=NC(C2=CC=CC=C2)=N1	REAL300025579198	0	38	-1.0	-54.69	338.14	1.89	-52.80
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025579199	0	53	-1.0	-53.38	418.71	3.38	-50.00
COCCCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579200	0	41	-1.0	-51.04	349.81	1.63	-49.41
CC1=NN(C)C(C)=C1CC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579201	0	42	-1.0	-48.06	339.66	2.01	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C3OCCOC3=C2)OC=N1	REAL300025579202	0	39	-1.0	-50.98	343.28	-0.91	-51.89
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1NC(=O)CC(C)C	REAL300025579203	0	46	-1.0	-49.99	376.55	3.50	-46.49
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC(F)F	REAL300025579204	0	39	-1.0	-48.53	344.82	1.08	-47.45
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(F)=C2)=N1	REAL300025579205	0	32	-1.0	-44.55	304.60	0.19	-44.36
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579206	0	47	-1.0	-45.28	369.40	4.11	-41.17
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025579207	0	44	-1.0	-54.25	360.55	3.36	-50.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOCC2)C=C1	REAL300025579208	0	42	-1.0	-46.68	345.09	1.92	-44.76
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1CCNC1=O	REAL300025579209	0	41	-1.0	-58.02	352.31	-0.07	-58.09
CC(C)CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025579210	0	43	-1.0	-48.20	363.69	2.72	-45.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C(Br)=C1	REAL300025579211	0	27	-1.0	-46.71	268.43	-0.91	-47.62
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579212	0	43	-1.0	-60.09	381.13	-0.47	-60.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NO1	REAL300025579213	0	32	-1.0	-45.12	298.45	0.81	-44.31
CC(C)(C)C(=O)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025579214	0	40	-1.0	-52.60	345.85	0.57	-52.03
CCC(CC)C(C(=O)NCCC1=NC(=O)O[N-]1)N1CCOCC1	REAL300025579215	0	48	-1.0	-44.42	352.74	2.44	-41.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CSC=N2)=C1	REAL300025579216	0	33	-1.0	-53.78	305.87	2.25	-51.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCCC2)=N1	REAL300025579217	0	39	-1.0	-43.82	334.61	2.69	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCCC1=CC=CC=C12	REAL300025579218	0	41	-1.0	-47.29	329.85	5.36	-41.93
CCCCCCC(C)(CCC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579219	0	50	-1.0	-45.75	384.01	5.32	-40.43
COC1=CC(Cl)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579220	0	31	-1.0	-45.88	302.48	3.07	-42.81
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025579221	0	39	-1.0	-44.28	336.24	4.84	-39.44
COC1=CC=C(C(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025579222	0	41	-1.0	-49.68	342.57	1.97	-47.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(I)=CN=C2C=C1	REAL300025579223	0	30	-1.0	-46.13	297.76	3.04	-43.09
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579224	0	41	-1.0	-52.78	354.84	2.71	-50.07
CC1=CC2=C(C=C1C)OC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025579225	0	38	-1.0	-50.63	320.97	3.63	-47.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1CCCC1	REAL300025579226	0	41	-1.0	-48.56	351.94	5.48	-43.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1OC(F)F	REAL300025579227	0	31	-1.0	-48.33	286.77	2.45	-45.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300025579228	0	37	-2.0	-102.45	338.70	5.05	-97.40
CC(C)CC(CC1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579229	0	45	-1.0	-43.33	379.95	6.14	-37.19
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025579230	0	47	-1.0	-47.61	389.50	6.71	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC(F)=C1F	REAL300025579231	0	34	-1.0	-45.95	299.69	3.57	-42.38
O=C(CCCCC1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579232	0	39	-1.0	-46.02	349.05	5.11	-40.91
CCCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579233	0	43	-1.0	-45.97	362.19	4.05	-41.92
CCC(OC1=CC=CC(C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579234	0	40	-1.0	-49.68	330.27	3.95	-45.73
O=C(NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)OCC(F)(F)F	REAL300025579235	0	38	-1.0	-50.76	351.83	1.15	-49.61
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025579236	0	36	-1.0	-42.12	327.41	2.01	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OC1=CC=CC=C1Cl	REAL300025579237	0	38	-1.0	-49.46	368.27	5.22	-44.24
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025579238	0	39	-1.0	-58.41	331.76	-0.45	-58.86
CC1=CC=C(C)C(SCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025579239	0	47	-1.0	-49.32	404.81	7.67	-41.65
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025579240	0	34	-2.0	-105.23	317.91	0.83	-104.40
CCC1=CC=C(C(=O)N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)O1	REAL300025579241	0	47	-1.0	-52.00	384.68	3.21	-48.79
O=C(NCCC1=NC(=O)O[N-]1)C1SCCC2=C1C=CS2	REAL300025579242	0	32	-1.0	-46.76	297.61	2.66	-44.10
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025579243	0	43	-1.0	-53.24	353.78	0.27	-52.97
CC(C)N1C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579244	0	34	-1.0	-43.68	310.61	3.03	-40.65
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579245	0	44	-1.0	-51.88	363.03	1.61	-50.27
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)CC1CC1	REAL300025579246	0	47	-1.0	-52.57	382.60	3.73	-48.84
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025579247	0	36	-1.0	-46.72	320.45	3.97	-42.75
CCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025579248	0	39	-1.0	-54.60	346.98	3.76	-50.84
COC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025579249	0	37	-1.0	-46.28	339.51	1.76	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CS2)N=N1	REAL300025579250	0	33	-1.0	-45.78	316.08	0.82	-44.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(F)C=C21	REAL300025579251	0	39	-1.0	-47.27	335.54	4.02	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC(Br)=C1)N1CCCC1	REAL300025579252	0	42	-1.0	-44.62	367.30	3.08	-41.54
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1F)N1CCOCC1	REAL300025579253	0	43	-1.0	-44.65	349.79	1.11	-43.54
CC(CC(=O)NCCC1=NC(=O)O[N-]1)NC1=NS(=O)(=O)C2=CC=CC=C21	REAL300025579254	0	42	-1.0	-64.44	373.45	-0.45	-64.89
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579255	0	43	-1.0	-54.25	363.03	2.54	-51.71
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(C2=CC=CC=C2)CC1	REAL300025579256	0	43	-1.0	-45.76	346.31	5.24	-40.52
CC(C)(C)C(=O)NC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025579257	0	42	-1.0	-52.66	366.49	1.37	-51.29
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025579257	1	41	-2.0	-100.91	365.18	0.27	-100.64
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579258	0	37	-1.0	-60.49	341.43	-3.95	-64.44
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=C3C=CSC3=NC=N2)C1	REAL300025579259	0	43	-1.0	-52.91	363.22	3.00	-49.91
CC(CC(=O)C1=CC=CC(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579260	0	38	-1.0	-44.29	346.18	4.09	-40.20
O=C(NCCC1=NC(=O)O[N-]1)C1SCCC2=CC=CC=C21	REAL300025579261	0	35	-1.0	-47.83	305.65	3.48	-44.35
O=C(CCC1=NN=CN1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025579262	0	39	-1.0	-49.50	340.79	5.24	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300025579263	0	42	-1.0	-47.73	381.35	4.03	-43.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(N2CCNC2=O)=C1	REAL300025579264	0	37	-1.0	-54.73	339.12	1.30	-53.43
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025579265	0	39	-1.0	-49.08	335.60	4.26	-44.82
CC(C)(C)CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025579266	0	47	-1.0	-48.27	393.73	3.55	-44.72
CN1C=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025579267	0	37	-1.0	-53.64	323.38	2.84	-50.80
CC(C)C1=NN(C)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025579268	0	39	-1.0	-45.86	349.23	2.55	-43.31
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025579269	0	42	-2.0	-103.16	375.89	-2.30	-105.46
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NS(C)(=O)=O)=C1OC	REAL300025579269	1	43	-1.0	-54.23	377.05	-2.33	-56.56
CC1=CC=C2C(CCC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025579270	0	40	-1.0	-48.18	342.61	3.74	-44.44
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C)=C1Br	REAL300025579271	0	31	-1.0	-47.17	307.33	2.29	-44.88
CC1=NOC(C(F)(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579272	0	29	-1.0	-41.70	284.37	0.66	-41.04
CCOC(C)C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579273	0	36	-1.0	-46.47	327.40	0.13	-46.34
CC(C)(C)OC(=O)N1CCCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579274	0	47	-1.0	-44.49	371.69	2.21	-42.28
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025579275	0	47	-1.0	-55.44	383.85	2.73	-52.71
COCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025579276	0	37	-1.0	-46.62	325.90	-1.53	-48.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1[O-]	REAL300025579277	0	27	-2.0	-94.94	285.71	2.24	-92.70
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025579278	0	44	-1.0	-45.62	375.94	0.18	-45.44
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300025579279	0	37	-1.0	-44.45	333.60	4.04	-40.41
CCCCCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579280	0	56	-1.0	-45.39	444.40	7.81	-37.58
CC1=C(Br)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579281	0	30	-1.0	-45.47	277.23	2.73	-42.74
CC(C)=CC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579282	0	44	-1.0	-49.10	375.47	2.67	-46.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=N1	REAL300025579283	0	40	-1.0	-48.20	352.02	3.12	-45.08
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025579284	0	30	-1.0	-46.76	297.50	2.68	-44.08
O=C(CNC(=O)C1=CC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025579285	0	38	-1.0	-46.36	336.02	-0.03	-46.39
CCC(OC1CCCC(C)C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579286	0	46	-1.0	-46.92	360.56	4.36	-42.56
O=C(CCC1=NC2=CC(Br)=CC=C2S1)NCCC1=NC(=O)O[N-]1	REAL300025579287	0	35	-1.0	-46.67	342.35	3.06	-43.61
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579288	0	42	-1.0	-56.44	355.72	0.73	-55.71
CC(CCOC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579289	0	40	-1.0	-49.14	335.47	3.16	-45.98
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025579290	0	30	-1.0	-46.92	282.75	2.72	-44.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1F	REAL300025579291	0	30	-1.0	-52.83	285.73	2.60	-50.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC(C3CC3)=N2)C=C1	REAL300025579292	0	40	-1.0	-49.57	350.58	3.77	-45.80
CC(C)OC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579293	0	37	-1.0	-44.86	333.85	3.01	-41.85
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025579294	0	47	-1.0	-45.50	376.00	1.27	-44.23
CS(=O)(=O)CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579295	0	36	-1.0	-49.35	316.78	-1.10	-50.45
CC(CN(C)C(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579296	0	46	-1.0	-47.37	367.37	2.09	-45.28
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=C(F)C=C1	REAL300025579297	0	45	-1.0	-47.15	367.22	3.13	-44.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025579297	1	46	0.0	-64.01	368.55	5.16	-58.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025579297	1	46	0.0	-63.96	368.59	5.18	-58.78
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(F)C=C1	REAL300025579298	0	42	-1.0	-44.72	347.18	1.95	-42.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)N=C1	REAL300025579299	0	37	-1.0	-46.96	346.38	2.34	-44.62
CC1=C(C2=CC=CC=C2)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025579300	0	40	-1.0	-51.75	344.88	2.88	-48.87
CC1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1C	REAL300025579301	0	40	-1.0	-49.25	333.10	-0.75	-50.00
O=C(CN1CCN(C(=O)OCC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025579302	0	50	-1.0	-49.22	413.07	2.33	-46.89
O=C(CC1=COC2=CC(F)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025579303	0	33	-1.0	-49.71	302.18	2.64	-47.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300025579304	0	29	-1.0	-53.72	288.85	3.81	-49.91
O=C(CCC1=CC(Cl)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579305	0	33	-1.0	-44.53	323.28	4.01	-40.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)N=C1	REAL300025579306	0	26	-1.0	-43.67	259.75	0.27	-43.40
CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579307	0	44	-1.0	-44.44	364.18	1.60	-42.84
CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025579308	0	54	-1.0	-53.94	399.56	3.70	-50.24
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)S1	REAL300025579309	0	30	-1.0	-46.72	292.87	2.58	-44.14
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C(C)=C1	REAL300025579310	0	45	-1.0	-47.06	370.62	5.44	-41.62
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C=NN(C)C2=N1	REAL300025579311	0	35	-1.0	-48.77	306.89	1.22	-47.55
O=C(NCCC1=NC(=O)O[N-]1)C1CC(OCC2=CC=CC=C2)C1	REAL300025579312	0	41	-1.0	-50.23	349.84	3.49	-46.74
O=C(CC(CC1=CC=CC=C1)CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025579313	0	49	-1.0	-48.44	401.62	7.80	-40.64
CCC(OC1=CC=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579314	0	37	-1.0	-53.90	315.09	3.35	-50.55
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Br)C=C1	REAL300025579315	0	37	-1.0	-46.12	346.25	3.77	-42.35
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025579316	0	33	-1.0	-47.83	315.78	3.74	-44.09
CC1=CC(CCCC(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025579317	0	39	-1.0	-47.95	340.54	4.20	-43.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579318	0	40	-2.0	-111.64	352.75	2.50	-109.14
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CNC(=O)NC1=O	REAL300025579319	0	30	-1.0	-52.32	284.75	-3.52	-55.84
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(=O)(=O)N(C)C)O1	REAL300025579320	0	38	-1.0	-48.31	342.98	-1.64	-49.95
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300025579321	0	39	-1.0	-48.24	329.74	5.01	-43.23
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCC1	REAL300025579322	0	37	-1.0	-44.95	332.02	4.45	-40.50
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300025579323	0	37	-1.0	-43.79	328.52	4.31	-39.48
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2)CCC1	REAL300025579324	0	37	-1.0	-45.54	317.13	3.89	-41.65
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(F)=C2)CCC1	REAL300025579325	0	37	-1.0	-44.02	318.20	3.86	-40.16
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)=C1	REAL300025579326	0	40	-1.0	-46.21	332.36	4.43	-41.78
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025579327	0	41	-1.0	-46.10	340.22	3.12	-42.98
CC1=CC(C)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)=C1	REAL300025579328	0	43	-1.0	-46.50	352.32	5.18	-41.32
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCC1	REAL300025579329	0	37	-1.0	-43.68	333.09	4.42	-39.26
CC(C)(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025579330	0	49	-1.0	-45.31	386.91	6.14	-39.17
COC1=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)=CC=C1C	REAL300025579331	0	44	-1.0	-47.28	360.52	3.82	-43.46
CC(C)COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025579332	0	50	-1.0	-45.68	403.67	5.54	-40.14
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300025579333	0	37	-1.0	-47.53	342.88	4.74	-42.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2O1	REAL300025579334	0	30	-1.0	-44.30	291.28	2.45	-41.85
CC(C)OCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579335	0	41	-1.0	-53.48	361.68	-3.60	-57.08
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579336	0	37	-2.0	-106.23	339.25	1.79	-104.44
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1OCC(F)(F)F	REAL300025579337	0	33	-1.0	-54.24	309.45	1.78	-52.46
COC1=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=CC(OC)=C1	REAL300025579338	0	46	-1.0	-52.28	381.58	1.08	-51.20
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025579339	0	39	-1.0	-44.82	342.14	4.42	-40.40
CC(C)(C)OC(=O)N1CCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579340	0	47	-1.0	-46.41	376.02	2.08	-44.33
CCC(C)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579341	0	40	-1.0	-45.98	333.24	3.20	-42.78
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300025579342	0	39	-1.0	-52.71	344.56	0.29	-52.42
COC1=CC=CC(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579343	0	40	-1.0	-47.35	332.26	2.74	-44.61
CC(=CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)F	REAL300025579344	0	38	-1.0	-46.72	336.64	3.16	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C(F)=C1	REAL300025579345	0	38	-1.0	-47.24	356.28	5.02	-42.22
CNS(=O)(=O)C1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579346	0	32	-1.0	-51.97	313.37	-3.33	-55.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)O1	REAL300025579347	0	35	-1.0	-43.49	320.43	3.58	-39.91
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025579348	0	35	-1.0	-48.86	323.98	-3.46	-52.32
CC1=C(Br)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579349	0	27	-1.0	-42.32	276.54	1.87	-40.45
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579350	0	45	-1.0	-55.79	380.97	6.17	-49.62
COC1=CC=C(OC)C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579351	0	38	-1.0	-45.68	334.25	1.00	-44.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(C3CC3)=NO2)C=C1	REAL300025579352	0	39	-1.0	-46.83	347.04	2.42	-44.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=CC=C2)=CO1	REAL300025579353	0	40	-1.0	-51.38	357.72	3.53	-47.85
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=CC(F)=C1	REAL300025579354	0	38	-1.0	-45.01	331.44	3.41	-41.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)C(=O)C=C1	REAL300025579355	0	37	-1.0	-49.08	335.37	3.78	-45.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC(F)F	REAL300025579356	0	31	-1.0	-46.26	297.10	2.89	-43.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)OC2=CC=CC=C21	REAL300025579357	0	35	-1.0	-56.50	311.96	3.21	-53.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2C(I)=CN=C12	REAL300025579358	0	30	-1.0	-46.84	297.13	3.62	-43.22
CC1=NN(C2=CC=CC=C2Cl)C(C(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579359	0	40	-1.0	-48.50	371.20	4.36	-44.14
O=C(CCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579360	0	33	-1.0	-44.78	310.62	3.65	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCC2)=CC=C1Cl	REAL300025579361	0	39	-1.0	-50.26	361.59	0.27	-49.99
COC1=CC=C(F)C=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579362	0	34	-1.0	-43.65	311.18	1.77	-41.88
CCC(OC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579363	0	37	-1.0	-51.79	324.89	3.81	-47.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)C2=CNC=C2)C=C1	REAL300025579364	0	37	-1.0	-49.54	325.42	2.76	-46.78
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=CO1	REAL300025579365	0	24	-1.0	-45.53	246.18	0.16	-45.37
COCCOC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579366	0	38	-1.0	-51.13	342.83	2.77	-48.36
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2O1	REAL300025579367	0	36	-1.0	-52.87	314.84	3.82	-49.05
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025579368	0	43	-1.0	-50.08	357.70	3.83	-46.25
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CN(C)N=C2)O1	REAL300025579369	0	36	-1.0	-47.38	325.13	-1.48	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1[N+](=O)[O-]	REAL300025579370	0	29	-1.0	-59.27	286.51	3.90	-55.37
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025579371	0	42	-1.0	-46.82	350.50	4.61	-42.21
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)NC1CCCC1	REAL300025579372	0	48	-1.0	-55.17	401.24	1.42	-53.75
COCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579373	0	41	-1.0	-48.11	349.74	1.66	-46.45
CC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)NC(=O)NC1=O	REAL300025579374	0	39	-1.0	-50.76	339.29	-1.42	-52.18
CC1=NN(C)C(C)=C1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579375	0	40	-1.0	-48.90	349.79	0.41	-48.49
CC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025579376	0	34	-1.0	-47.24	309.77	0.53	-46.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300025579377	0	38	-1.0	-47.56	348.77	4.93	-42.63
N#CC1=CC=CC=C1SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579378	0	39	-1.0	-48.59	363.23	5.89	-42.70
CSCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025579379	0	34	-1.0	-46.62	314.71	3.45	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025579380	0	36	-1.0	-44.80	348.79	3.45	-41.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C(Cl)=C1	REAL300025579381	0	27	-1.0	-42.30	285.44	3.08	-39.22
O=C(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)NC1CCCCC1	REAL300025579382	0	47	-1.0	-55.55	391.03	1.42	-54.13
COC1=CC=C(C(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579383	0	40	-1.0	-46.28	332.25	2.75	-43.53
CCSC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579384	0	34	-1.0	-45.87	317.20	3.91	-41.96
N#CCSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579385	0	32	-1.0	-54.49	304.30	3.15	-51.34
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025579386	0	35	-1.0	-52.32	305.75	3.36	-48.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC(Cl)=CC=C2C=C1	REAL300025579387	0	32	-1.0	-45.23	303.46	2.49	-42.74
CC(C)(C)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579388	0	40	-1.0	-46.57	323.58	2.69	-43.88
CC(C)(C)OC(=O)N1CC(OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579389	0	45	-1.0	-53.56	376.81	1.15	-52.41
CN1C=CN=C1CN1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579390	0	45	-1.0	-48.43	362.34	1.07	-47.36
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579390	1	46	0.0	-73.03	365.29	3.52	-69.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C=N1	REAL300025579391	0	34	-1.0	-46.42	319.88	4.33	-42.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C(Br)C=CC=C12	REAL300025579392	0	33	-1.0	-43.41	308.61	1.35	-42.06
CC(SC1=CC=NC2=CC(Cl)=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579393	0	39	-1.0	-49.29	359.80	3.88	-45.41
COC(=O)COC1=C(C)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025579394	0	43	-1.0	-49.75	373.16	4.03	-45.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2)=CC=N1	REAL300025579395	0	37	-1.0	-46.65	329.89	2.69	-43.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21	REAL300025579396	0	39	-1.0	-46.33	345.85	4.45	-41.88
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C(F)=CC(F)=C1F	REAL300025579397	0	27	-1.0	-45.08	272.16	1.61	-43.47
CCOC1=CC=CC2=C1OCC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025579398	0	40	-1.0	-48.41	340.29	2.82	-45.59
COC1=CC=CC2=C1OCC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025579399	0	37	-1.0	-48.61	318.47	1.90	-46.71
COC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025579400	0	44	-1.0	-49.93	357.68	2.36	-47.57
CC1=CC=C2NC=C(CCC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025579401	0	40	-1.0	-48.24	342.61	3.75	-44.49
O=C(CC1=CC=CC(I)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579402	0	30	-1.0	-46.72	295.71	3.31	-43.41
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579403	0	34	-1.0	-48.26	311.66	1.95	-46.31
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579404	0	43	-1.0	-47.42	385.23	4.52	-42.90
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300025579405	0	44	-1.0	-44.96	343.22	4.20	-40.76
COC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025579406	0	39	-1.0	-47.74	345.14	2.25	-45.49
CC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025579407	0	36	-1.0	-44.81	328.83	4.21	-40.60
CS(=O)(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025579408	0	35	-1.0	-55.40	327.97	-3.45	-58.85
O=C(CCCCNC(=O)OCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025579409	0	47	-1.0	-53.00	404.32	2.51	-50.49
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C)C=C21	REAL300025579410	0	37	-1.0	-45.42	316.04	2.84	-42.58
CC(C)CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025579411	0	49	-1.0	-50.60	392.02	3.68	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1	REAL300025579412	0	26	-1.0	-46.33	259.96	0.28	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1Br	REAL300025579413	0	26	-1.0	-49.40	254.73	0.29	-49.11
CCOCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579414	0	38	-1.0	-53.49	341.40	-4.35	-57.84
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=C(Br)C=C1)N1CCCC1	REAL300025579415	0	42	-1.0	-46.15	365.57	3.17	-42.98
CCC1=NNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1CC	REAL300025579416	0	38	-1.0	-45.49	314.26	0.12	-45.37
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579417	0	39	-1.0	-51.35	361.11	-1.02	-52.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=NC=C2)=NO1	REAL300025579418	0	35	-1.0	-46.28	318.19	1.73	-44.55
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300025579419	0	56	-1.0	-49.92	425.61	4.28	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(I)=C1	REAL300025579420	0	27	-1.0	-42.43	276.59	2.68	-39.75
CC(CC1=CC=C(F)C(Br)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579421	0	36	-1.0	-45.10	331.76	4.16	-40.94
O=C(CCC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025579422	0	35	-1.0	-49.66	317.54	3.70	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2)S1	REAL300025579423	0	36	-1.0	-45.59	333.80	3.17	-42.42
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579424	0	37	-1.0	-45.90	340.12	4.89	-41.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C2=CC=CS2)=C1	REAL300025579425	0	41	-1.0	-47.23	371.21	4.84	-42.39
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C=C1F	REAL300025579426	0	27	-1.0	-44.83	280.87	2.13	-42.70
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579427	0	38	-1.0	-45.29	329.19	3.50	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC(F)(F)F	REAL300025579428	0	37	-1.0	-52.07	341.80	1.75	-50.32
CC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579429	0	30	-1.0	-46.93	280.98	2.84	-44.09
CC1=C(Br)C(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1	REAL300025579430	0	30	-1.0	-54.11	284.82	0.60	-53.51
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025579431	0	33	-1.0	-49.06	326.20	-0.02	-49.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1Cl	REAL300025579432	0	34	-1.0	-51.38	317.10	2.04	-49.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=C1F	REAL300025579433	0	34	-1.0	-52.39	308.76	1.59	-50.80
O=C(CCC(=O)C1=C(Cl)SC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579434	0	32	-1.0	-44.04	331.72	3.06	-40.98
O=C(CCC(=O)C1=CSC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025579435	0	38	-1.0	-47.09	343.27	4.20	-42.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300025579436	0	30	-1.0	-43.60	288.42	2.60	-41.00
O=C(CCCC1=CSC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025579437	0	39	-1.0	-49.72	347.18	5.15	-44.57
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579438	0	37	-1.0	-44.52	339.84	3.36	-41.16
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=N2)=NO1	REAL300025579439	0	35	-1.0	-49.65	320.74	1.61	-48.04
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025579440	0	43	-1.0	-49.58	360.78	4.03	-45.55
O=C(CCCC1=C(Cl)SC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579441	0	33	-1.0	-47.02	333.22	3.91	-43.11
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025579442	0	45	-1.0	-56.34	384.14	3.85	-52.49
CC1=NN(CC(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579443	0	33	-1.0	-52.63	305.83	1.24	-51.39
CC1=CC(I)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025579444	0	33	-1.0	-42.81	304.01	3.84	-38.97
CN1C(=O)N(C)C2=NC(NC(=O)CCC(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025579445	0	46	-1.0	-57.10	399.43	2.82	-54.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025579446	0	31	-1.0	-46.36	289.28	1.34	-45.02
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025579447	0	31	-1.0	-47.84	299.38	1.99	-45.85
CC1=CC=C(I)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579448	0	30	-1.0	-42.84	287.16	3.31	-39.53
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579449	0	38	-1.0	-54.61	345.61	-3.70	-58.31
COC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025579450	0	38	-1.0	-49.02	349.18	0.75	-48.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300025579451	0	27	-1.0	-42.40	279.39	2.62	-39.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1Br	REAL300025579452	0	26	-1.0	-46.05	254.97	0.41	-45.64
COC1=CC=C2OCC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025579453	0	37	-1.0	-47.67	318.68	1.33	-46.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NN1	REAL300025579454	0	34	-1.0	-47.21	309.25	1.72	-45.49
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(F)(C3)C1)C2	REAL300025579455	0	41	-1.0	-47.80	314.24	3.51	-44.29
CC1=NC(CC(C)C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579456	0	38	-1.0	-44.48	330.43	2.18	-42.30
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCCCC1=O	REAL300025579457	0	46	-1.0	-54.56	359.11	4.44	-50.12
CC1=CC=C(N2N=C(Br)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579458	0	37	-1.0	-44.90	343.44	3.69	-41.21
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)S2	REAL300025579459	0	43	-1.0	-46.93	384.15	5.58	-41.35
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579460	0	38	-1.0	-48.48	324.22	3.38	-45.10
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025579461	0	37	-1.0	-48.08	332.44	1.07	-47.01
CN1C=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025579462	0	40	-1.0	-48.39	343.68	4.80	-43.59
O=C(CCC1=CC=C2OCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579463	0	38	-1.0	-46.86	325.22	2.86	-44.00
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025579464	0	48	-1.0	-48.47	392.87	1.93	-46.54
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025579465	0	49	-1.0	-46.24	395.21	2.49	-43.75
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025579466	0	47	-1.0	-49.81	389.23	2.15	-47.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(OCC(F)F)=C1	REAL300025579467	0	33	-1.0	-51.88	302.72	0.27	-51.61
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025579468	0	38	-1.0	-50.93	338.56	-1.83	-52.76
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579469	0	46	-1.0	-43.49	364.22	0.58	-42.91
COCCCS(=O)(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579470	0	38	-1.0	-56.27	341.05	-4.52	-60.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300025579471	0	29	-1.0	-45.50	292.79	2.82	-42.68
CN(C)C1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025579472	0	44	-1.0	-47.52	364.09	3.58	-43.94
CC1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025579473	0	39	-1.0	-46.52	334.08	3.84	-42.68
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579474	0	37	-1.0	-49.90	338.86	2.91	-46.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300025579475	0	30	-1.0	-46.09	298.72	3.03	-43.06
COC1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025579476	0	40	-1.0	-47.06	342.13	2.46	-44.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2)=C1	REAL300025579477	0	36	-1.0	-46.51	312.68	3.17	-43.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(Cl)C=C2)=C1	REAL300025579478	0	36	-1.0	-45.97	329.40	3.69	-42.28
CCC(CC1=CC=CC=C1Br)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579479	0	39	-1.0	-45.77	336.97	4.40	-41.37
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579480	0	49	-1.0	-43.17	386.81	1.53	-41.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C3OCCC3=C2)=C1	REAL300025579481	0	41	-1.0	-48.22	348.61	3.02	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC1	REAL300025579482	0	40	-1.0	-48.35	330.00	4.40	-43.95
CC(NS(=O)(=O)C1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579483	0	35	-1.0	-48.30	332.99	-2.38	-50.68
COC1=CC=C(Br)C(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579484	0	34	-1.0	-47.53	315.10	1.98	-45.55
N#CC1=CC=CC=C1NC(=O)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579485	0	41	-1.0	-56.13	362.83	2.51	-53.62
CC(C)(C)C(NS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579486	0	40	-1.0	-48.40	335.14	-2.15	-50.55
CC1=CC2=C(N3CCCC3C(=O)NCCC3=NC(=O)O[N-]3)N=CN=C2S1	REAL300025579487	0	43	-1.0	-53.01	369.52	3.48	-49.53
COC1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025579488	0	42	-1.0	-51.12	376.74	1.99	-49.13
CCCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579489	0	40	-1.0	-48.79	340.79	3.24	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1	REAL300025579490	0	37	-1.0	-44.47	348.88	2.56	-41.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCC3=CC=CC=C32)C=C1	REAL300025579491	0	46	-1.0	-46.27	379.69	6.59	-39.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)(F)F)=C1	REAL300025579492	0	34	-1.0	-51.52	314.21	2.23	-49.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=C1	REAL300025579493	0	33	-1.0	-48.52	299.28	0.91	-47.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Br	REAL300025579494	0	30	-1.0	-44.21	298.61	3.17	-41.04
CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579495	0	43	-1.0	-44.36	345.49	-0.22	-44.58
CC1=CC=CC(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025579496	0	39	-1.0	-46.34	334.09	3.83	-42.51
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025579497	0	33	-1.0	-46.17	302.59	2.24	-43.93
CC1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)NC(=O)NC1=O	REAL300025579498	0	39	-1.0	-53.02	339.39	-1.42	-54.44
CC1(C)C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025579499	0	38	-1.0	-48.09	326.57	1.04	-47.05
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025579500	0	48	-1.0	-52.60	377.81	1.74	-50.86
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(OC(F)F)=C1F	REAL300025579501	0	31	-1.0	-49.07	298.62	1.08	-47.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CC2)C2=CC(Cl)=C(F)C=C2C1=O	REAL300025579502	0	40	-1.0	-48.95	360.01	4.99	-43.96
COC1=CC=CC=C1CC(C)=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579503	0	41	-1.0	-47.58	345.46	3.74	-43.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025579504	0	37	-2.0	-89.95	360.37	-0.32	-90.27
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579505	0	42	-1.0	-57.64	372.80	-4.71	-62.35
O=C(CSC1=NC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025579506	0	34	-1.0	-47.51	315.90	1.63	-45.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1F	REAL300025579507	0	27	-1.0	-46.50	275.63	2.72	-43.78
COC(=O)C1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1	REAL300025579508	0	37	-1.0	-48.46	327.90	0.97	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300025579509	0	34	-1.0	-44.59	321.73	4.22	-40.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=CC(F)=C2)N=N1	REAL300025579510	0	36	-1.0	-47.54	332.25	1.78	-45.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1OC1=CC=CC(Cl)=C1	REAL300025579511	0	38	-1.0	-48.49	364.96	6.65	-41.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300025579512	0	40	-1.0	-49.05	371.97	6.29	-42.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C(F)(F)F	REAL300025579513	0	30	-1.0	-48.59	279.85	2.65	-45.94
CC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579514	0	34	-1.0	-52.79	312.20	0.95	-51.84
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579515	0	34	-1.0	-56.23	312.08	0.94	-55.29
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300025579516	0	35	-1.0	-53.11	307.59	0.81	-52.30
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(SC2=CC=CC=C2)=N1	REAL300025579517	0	40	-1.0	-50.79	358.19	4.70	-46.09
O=C(CCC1=NC(C2CCCC2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025579518	0	41	-1.0	-45.78	346.50	0.99	-44.79
O=C(NC1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025579519	0	39	-1.0	-49.55	360.51	-0.32	-49.87
O=C(NC1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025579519	1	38	-2.0	-105.12	357.25	0.68	-104.44
O=C(CC1=CC(F)=C(F)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025579520	0	30	-1.0	-47.32	286.09	2.36	-44.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=C(F)C=C2)=C1	REAL300025579521	0	33	-1.0	-42.90	308.34	2.62	-40.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1COC1CCOCC1	REAL300025579522	0	45	-1.0	-46.32	366.13	2.71	-43.61
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)NCCC1=NC(=O)O[N-]1	REAL300025579523	0	38	-1.0	-57.04	342.81	3.11	-53.93
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579524	0	43	-2.0	-92.35	384.23	0.41	-91.94
CC(C)CC1=NN=C(NC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579524	1	44	-1.0	-52.22	387.53	1.54	-50.68
COC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025579525	0	38	-1.0	-50.85	326.40	2.14	-48.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=C(F)C=CC=C1F	REAL300025579526	0	34	-1.0	-54.96	313.27	1.58	-53.38
CN1C=NC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579527	0	35	-1.0	-54.93	326.04	-2.98	-57.91
CCCCC(NC(=O)C(C)NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579528	0	58	-1.0	-45.89	460.07	1.30	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1	REAL300025579529	0	37	-1.0	-58.38	343.06	3.73	-54.65
O=C(CCCC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579530	0	36	-1.0	-47.99	332.12	4.42	-43.57
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025579531	0	36	-1.0	-45.96	315.29	3.66	-42.30
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025579532	0	36	-1.0	-45.93	319.85	3.76	-42.17
O=C(CCSC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579533	0	34	-1.0	-44.78	329.41	4.11	-40.67
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCOC2=C1	REAL300025579534	0	42	-1.0	-51.28	343.45	2.31	-48.97
COC1=CC=CC=C1C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579535	0	40	-1.0	-48.35	324.02	3.34	-45.01
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300025579536	0	36	-1.0	-47.30	330.47	4.12	-43.18
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025579537	0	39	-1.0	-48.68	337.62	4.16	-44.52
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL300025579538	0	36	-1.0	-47.67	306.36	3.43	-44.24
CC(C)COC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579539	0	49	-1.0	-47.17	391.49	4.86	-42.31
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1	REAL300025579540	0	38	-1.0	-48.62	327.18	3.83	-44.79
O=C(CCSC1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579541	0	40	-1.0	-48.06	352.62	2.63	-45.43
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025579542	0	36	-1.0	-45.32	315.29	3.66	-41.66
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300025579543	0	42	-1.0	-48.92	344.80	5.40	-43.52
COC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579544	0	40	-1.0	-47.68	328.43	2.45	-45.23
CCC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579545	0	42	-1.0	-46.71	341.85	4.60	-42.11
CC(CSC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579546	0	37	-1.0	-44.76	331.93	4.14	-40.62
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579547	0	39	-1.0	-48.57	349.33	0.88	-47.69
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025579548	0	47	-1.0	-53.59	393.12	4.65	-48.94
CC(C)(C)OC(=O)N1CCCC(OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579549	0	51	-1.0	-50.93	407.46	2.89	-48.04
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025579550	0	36	-1.0	-45.31	319.86	3.75	-41.56
CC(C)(C)OC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579551	0	45	-1.0	-45.49	367.40	3.21	-42.28
CC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(C(C)(C)C)=N2)C=C1	REAL300025579552	0	49	-1.0	-47.14	394.64	5.73	-41.41
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579553	0	46	-1.0	-47.34	373.43	5.10	-42.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025579554	0	27	-1.0	-46.10	274.13	1.98	-44.12
CSC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025579555	0	31	-1.0	-44.53	310.96	3.52	-41.01
CC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025579556	0	29	-1.0	-44.95	285.30	1.28	-43.67
CC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025579557	0	37	-1.0	-49.88	338.11	1.45	-48.43
CC1=C(I)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579558	0	30	-1.0	-45.19	283.06	3.18	-42.01
O=C(CCC1=NN=C(C2CCCC2)O1)NCCC1=NC(=O)O[N-]1	REAL300025579559	0	41	-1.0	-47.65	346.81	-1.41	-49.06
CC1=CC=C(OCCCC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579560	0	40	-1.0	-51.58	356.73	3.84	-47.74
O=C(CCCC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579561	0	36	-1.0	-48.09	327.02	4.24	-43.85
CC(CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579562	0	46	-1.0	-47.76	370.70	0.51	-47.25
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300025579563	0	56	-1.0	-50.75	425.30	4.26	-46.49
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579564	0	39	-1.0	-55.99	359.13	-1.10	-57.09
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579565	0	42	-1.0	-48.26	372.24	5.42	-42.84
COC1=CC=CC(OC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579566	0	38	-1.0	-49.71	324.25	0.95	-48.76
O=C(CC1=NN(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579567	0	37	-1.0	-56.90	325.97	3.39	-53.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1I	REAL300025579568	0	27	-1.0	-41.72	277.72	2.73	-38.99
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=C1	REAL300025579569	0	31	-1.0	-46.53	294.44	1.92	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1Br	REAL300025579570	0	27	-1.0	-45.18	276.29	2.67	-42.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1Cl	REAL300025579571	0	27	-1.0	-44.27	283.61	3.15	-41.12
CC(C)(C)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579572	0	42	-1.0	-47.01	344.13	4.54	-42.47
CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579573	0	46	-1.0	-50.90	367.74	0.55	-50.35
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025579574	0	50	-1.0	-46.54	394.23	1.62	-44.92
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)NCCC1=NC(=O)O[N-]1	REAL300025579575	0	39	-1.0	-54.03	342.44	5.04	-48.99
CC(C)(C)OC(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579576	0	42	-1.0	-52.63	352.96	4.25	-48.38
CC1CCCC(OCCCCCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579577	0	52	-1.0	-47.62	408.60	5.02	-42.60
CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579578	0	44	-1.0	-46.88	371.27	-3.16	-50.04
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCOCC1	REAL300025579579	0	41	-1.0	-47.29	338.86	0.81	-46.48
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579580	0	37	-1.0	-49.66	335.49	4.08	-45.58
CCCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025579581	0	40	-1.0	-46.16	335.58	2.82	-43.34
COC(=O)C1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579582	0	36	-1.0	-51.57	322.74	2.87	-48.70
NC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025579583	0	29	-1.0	-44.20	286.95	0.58	-43.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Cl)=C1I	REAL300025579584	0	26	-1.0	-46.14	275.03	1.20	-44.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300025579585	0	37	-1.0	-44.52	364.25	3.02	-41.50
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579586	0	53	-1.0	-50.96	412.84	3.86	-47.10
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025579587	0	49	-1.0	-54.01	398.66	6.00	-48.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300025579588	0	29	-1.0	-46.46	283.91	2.57	-43.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1I	REAL300025579589	0	26	-1.0	-47.90	260.23	0.70	-47.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CN=C2)S1	REAL300025579590	0	32	-1.0	-45.89	305.09	0.66	-45.23
O=C(COC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579591	0	31	-1.0	-52.21	297.26	2.75	-49.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=CC=C1Cl	REAL300025579592	0	36	-1.0	-49.41	327.48	3.95	-45.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=NC3=CC=CC=C32)N=C1	REAL300025579593	0	39	-1.0	-50.22	340.10	5.46	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1Br	REAL300025579594	0	27	-1.0	-45.02	280.85	2.77	-42.25
CC(C)CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025579595	0	43	-1.0	-46.23	353.88	3.55	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=NC=CC=C2F)=N1	REAL300025579596	0	32	-1.0	-48.80	309.76	0.47	-48.33
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)C=C1Br	REAL300025579597	0	33	-1.0	-43.30	298.81	3.40	-39.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCC2)=C1	REAL300025579598	0	37	-1.0	-47.77	318.79	0.78	-46.99
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1I	REAL300025579599	0	30	-1.0	-44.25	297.02	0.14	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1	REAL300025579600	0	36	-1.0	-57.86	328.70	3.78	-54.08
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579601	0	51	-1.0	-47.83	403.73	3.69	-44.14
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025579602	0	33	-1.0	-48.87	316.70	-0.41	-49.28
CS(=O)(=O)C1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579603	0	37	-1.0	-57.45	337.53	-0.37	-57.82
CCCCCCCCCCC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579604	0	56	-1.0	-45.39	432.56	7.20	-38.19
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579605	0	47	-1.0	-49.29	385.92	2.63	-46.66
COC(=O)C1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579606	0	39	-1.0	-50.38	335.51	3.43	-46.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CO1	REAL300025579607	0	39	-1.0	-48.48	335.15	2.65	-45.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CC=C(Cl)C=C1	REAL300025579608	0	45	-1.0	-44.64	392.63	5.83	-38.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1	REAL300025579609	0	42	-1.0	-46.50	354.40	4.51	-41.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2OCCO2)=C1	REAL300025579610	0	36	-1.0	-49.17	310.60	1.18	-47.99
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN2C(Br)=CN=C12	REAL300025579611	0	29	-1.0	-50.88	288.82	1.02	-49.86
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300025579612	0	45	-1.0	-45.63	380.86	4.84	-40.79
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579613	0	40	-1.0	-47.35	342.79	4.34	-43.01
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=N1	REAL300025579614	0	34	-1.0	-51.77	313.36	2.02	-49.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2N1	REAL300025579615	0	34	-1.0	-44.10	315.68	2.48	-41.62
CC(CC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579616	0	36	-1.0	-44.11	326.04	4.13	-39.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CCC(F)(F)F	REAL300025579617	0	36	-1.0	-46.24	317.22	4.09	-42.15
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579618	0	39	-1.0	-51.23	337.96	0.43	-50.80
CC1=CC(S(C)(=O)=O)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025579619	0	39	-1.0	-51.75	336.89	0.28	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300025579620	0	34	-1.0	-46.78	321.41	3.21	-43.57
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025579621	0	29	-1.0	-49.15	276.33	0.90	-48.25
CCOC(=O)C1=C2N=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2N=C1	REAL300025579622	0	38	-1.0	-48.41	341.92	2.40	-46.01
NC(=O)C1=C2N=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2N=C1	REAL300025579623	0	33	-1.0	-51.94	300.44	-2.46	-54.40
CC1=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025579624	0	33	-1.0	-42.18	317.23	3.20	-38.98
COCCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025579625	0	43	-1.0	-46.89	371.06	1.56	-45.33
O=C(CCN1C=CC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025579626	0	37	-1.0	-45.00	338.94	4.73	-40.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2=CC=CC=C2)S1	REAL300025579627	0	36	-1.0	-48.94	338.15	3.32	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2OC1	REAL300025579628	0	33	-1.0	-46.03	295.63	2.12	-43.91
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(F)C=C2C1	REAL300025579629	0	35	-1.0	-44.81	304.29	2.14	-42.67
O=C(CC1=CC=CC(OCCCOC2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579630	0	51	-1.0	-51.64	430.67	5.85	-45.79
CCC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025579631	0	35	-1.0	-47.48	310.88	2.91	-44.57
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025579632	0	44	-1.0	-46.64	361.60	2.54	-44.10
CCC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579633	0	42	-1.0	-45.62	333.64	4.32	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CC(Br)=CN2N=C1	REAL300025579634	0	29	-1.0	-52.56	288.92	1.05	-51.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2CCCO2)=N1	REAL300025579635	0	34	-1.0	-44.96	309.61	-0.46	-45.42
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025579636	0	30	-1.0	-54.32	297.40	-1.97	-56.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(Br)=C1	REAL300025579637	0	27	-1.0	-42.45	279.39	2.62	-39.83
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025579638	0	32	-1.0	-45.68	305.29	3.24	-42.44
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579639	0	39	-1.0	-46.60	364.24	5.56	-41.04
CCOC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579640	0	37	-1.0	-44.75	326.64	2.65	-42.10
CC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025579641	0	42	-1.0	-49.70	346.46	2.22	-47.48
CC1=CN(CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)N=C1	REAL300025579642	0	36	-1.0	-49.29	328.20	1.31	-47.98
CNS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025579643	0	32	-1.0	-53.83	305.71	-4.26	-58.09
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025579643	1	31	-2.0	-92.64	302.69	-4.71	-97.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NN=CN2)C=C1	REAL300025579644	0	36	-1.0	-55.78	320.10	3.41	-52.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=NNC=N2)C=C1	REAL300025579644	1	36	-1.0	-51.48	320.71	3.00	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1	REAL300025579645	0	38	-1.0	-47.34	345.20	3.04	-44.30
CC(SC1=NC2=CC=CC=C2S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579646	0	36	-1.0	-46.65	338.44	3.27	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=N2)C=C1	REAL300025579647	0	33	-1.0	-53.36	296.66	1.38	-51.98
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579648	0	49	-1.0	-44.34	378.76	1.78	-42.56
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025579649	0	30	-1.0	-47.31	280.97	2.83	-44.48
CC(C)(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025579650	0	39	-1.0	-47.86	324.69	1.83	-46.03
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=N1	REAL300025579651	0	33	-1.0	-52.09	299.73	3.23	-48.86
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025579652	0	48	0.0	-62.86	383.91	5.23	-57.63
CCN(CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025579652	1	47	-1.0	-43.73	387.55	3.48	-40.25
CC(C)CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)F	REAL300025579653	0	39	-1.0	-47.35	330.82	2.28	-45.07
CC1=NC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579654	0	29	-1.0	-44.59	276.06	0.92	-43.67
CC1=CC=C(CC2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025579655	0	39	-1.0	-46.20	355.30	3.70	-42.50
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025579656	0	45	-1.0	-49.16	369.39	6.03	-43.13
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025579657	0	33	-1.0	-46.12	305.15	3.40	-42.72
CNC(=O)COC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579658	0	41	-1.0	-58.27	357.95	1.07	-57.20
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025579659	0	43	-1.0	-47.39	360.95	4.22	-43.17
CSCC1=NOC(CCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579660	0	35	-1.0	-46.98	325.62	-0.33	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C=C1	REAL300025579661	0	33	-1.0	-45.63	310.62	4.40	-41.23
O=C(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)NC1CCCC1	REAL300025579662	0	44	-1.0	-55.55	373.43	0.82	-54.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCC3=C2)=NO1	REAL300025579663	0	38	-1.0	-43.86	337.95	2.38	-41.48
CCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579664	0	49	-1.0	-44.07	388.51	1.31	-42.76
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=N1	REAL300025579665	0	40	-1.0	-50.27	341.94	3.22	-47.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1C1=CC=CC=N1	REAL300025579666	0	39	-1.0	-52.23	324.69	4.66	-47.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2OC1	REAL300025579667	0	33	-1.0	-45.57	310.51	2.68	-42.89
CCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCCC	REAL300025579668	0	50	-1.0	-50.53	413.39	4.86	-45.67
CC(C)(C)OC(=O)N1CCSCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579669	0	48	-1.0	-47.95	383.54	3.30	-44.65
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1NC(=O)OC(C)(C)C	REAL300025579670	0	47	-1.0	-47.39	382.73	2.67	-44.72
CC(C)(C)OC(=O)NC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025579671	0	47	-1.0	-51.84	373.67	1.17	-50.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=C(F)C=C1F	REAL300025579672	0	27	-1.0	-44.35	281.13	2.75	-41.60
O=C(CC1=CC(Br)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025579673	0	30	-1.0	-46.77	294.68	2.87	-43.90
O=C(CC1=CC(Cl)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579674	0	30	-1.0	-45.52	302.87	3.23	-42.29
O=C(CC1=CC=CC=C1I)NCCC1=NC(=O)O[N-]1	REAL300025579675	0	30	-1.0	-46.01	291.13	3.11	-42.90
O=C(CC1=CC(F)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579676	0	30	-1.0	-45.86	292.54	2.79	-43.07
CC(C)C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025579677	0	35	-1.0	-49.43	319.08	0.76	-48.67
CC1(CCCC(=O)NCCC2=NC(=O)O[N-]2)NC(=O)NC1=O	REAL300025579678	0	38	-1.0	-54.01	323.35	-3.42	-57.43
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025579679	0	46	-1.0	-53.96	388.45	2.09	-51.87
O=C(CSC1=CC=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579680	0	31	-1.0	-48.11	307.75	3.29	-44.82
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025579681	0	50	-1.0	-52.13	412.51	3.62	-48.51
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025579682	0	50	-1.0	-53.07	393.01	2.66	-50.41
COC1=CC=C2NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025579683	0	38	-1.0	-52.62	330.05	1.34	-51.28
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579684	0	49	-1.0	-51.31	383.68	1.02	-50.29
CN(C)C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579685	0	39	-1.0	-56.84	343.89	1.81	-55.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300025579686	0	29	-1.0	-48.20	291.45	1.31	-46.89
CCOC(=O)C1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579687	0	35	-1.0	-44.04	329.85	1.92	-42.12
COCCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579688	0	41	-1.0	-50.77	352.92	1.72	-49.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300025579689	0	30	-1.0	-46.28	295.13	2.95	-43.33
CC(C)(C)C1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579690	0	48	-1.0	-46.72	375.17	5.47	-41.25
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025579691	0	35	-1.0	-51.91	307.76	3.26	-48.65
O=C(CCCNC(=O)C1=CC=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025579692	0	39	-1.0	-50.78	340.89	-0.30	-51.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300025579693	0	32	-1.0	-42.96	310.54	3.22	-39.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1	REAL300025579694	0	27	-1.0	-42.86	281.33	2.66	-40.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1	REAL300025579695	0	39	-1.0	-46.29	352.86	5.06	-41.23
CC1(C)CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025579696	0	43	-1.0	-50.54	344.07	2.06	-48.48
O=C(CC1=CC=CC(OC(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579697	0	34	-1.0	-47.56	313.93	2.01	-45.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300025579698	0	41	-1.0	-47.20	341.78	1.89	-45.31
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=NC2=CC=CC=C21	REAL300025579699	0	36	-1.0	-52.14	312.03	3.34	-48.80
CC1=CC=CC=C1SC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579700	0	41	-1.0	-45.93	362.28	6.20	-39.73
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC(C)=CC=C1C	REAL300025579701	0	43	-1.0	-47.18	360.57	4.75	-42.43
CC(C)COC1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579702	0	44	-1.0	-52.59	369.80	3.83	-48.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC([N+](=O)[O-])=C1Cl	REAL300025579703	0	29	-1.0	-46.32	301.03	3.20	-43.12
O=C(CSCC1=CSC=N1)NCCC1=NC(=O)O[N-]1	REAL300025579704	0	30	-1.0	-51.03	296.99	0.56	-50.47
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579705	0	43	-1.0	-50.79	371.96	3.81	-46.98
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2)N=C1	REAL300025579706	0	33	-1.0	-42.59	319.00	1.68	-40.91
COC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C2C=C1	REAL300025579707	0	43	-1.0	-50.23	358.60	3.26	-46.97
CC(C)(C)OC(=O)N1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579708	0	45	-1.0	-48.50	365.16	1.25	-47.25
CN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025579709	0	34	-1.0	-50.56	301.27	0.40	-50.16
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CCOC2=CC=CC=C2Cl)C1	REAL300025579710	0	45	-1.0	-52.17	397.94	3.33	-48.84
CCSC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579711	0	37	-1.0	-48.10	329.61	4.08	-44.02
O=C(CC1=CC=C(Br)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579712	0	30	-1.0	-48.08	294.94	2.89	-45.19
CC(CSCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579713	0	40	-1.0	-44.62	351.44	4.98	-39.64
CC(C)(C)OC(=O)N1CCOC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579714	0	48	-1.0	-51.51	385.02	1.73	-49.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CO2)S1	REAL300025579715	0	31	-1.0	-45.69	298.04	2.45	-43.24
O=C(CCCOC1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579716	0	40	-1.0	-52.81	345.36	1.26	-51.55
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579717	0	52	-1.0	-49.18	415.54	5.69	-43.49
O=C(CCCOC1=CC=C2CCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579718	0	44	-1.0	-50.35	364.83	4.52	-45.83
COC1=CC=CC(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025579719	0	38	-1.0	-47.05	334.28	0.88	-46.17
CC(C)CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579720	0	45	-1.0	-45.05	370.53	5.71	-39.34
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025579721	0	38	-1.0	-42.95	353.47	4.00	-38.95
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025579722	0	36	-1.0	-47.47	314.21	3.54	-43.93
O=C(CSCC1=CSC=N1)NCCC1=NC(=O)O[N-]1	REAL300025579723	0	30	-1.0	-51.03	296.99	0.56	-50.47
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300025579724	0	46	-1.0	-48.47	373.12	6.57	-41.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C2N1	REAL300025579725	0	34	-1.0	-49.36	317.30	2.57	-46.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1I	REAL300025579726	0	27	-1.0	-47.79	270.58	2.65	-45.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CCC(F)(F)F)C=C1	REAL300025579727	0	36	-1.0	-47.39	325.82	4.14	-43.25
CC(C)(C)OC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025579728	0	44	-1.0	-51.69	356.27	2.63	-49.06
CCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC)C=C1	REAL300025579729	0	43	-1.0	-49.44	351.37	3.34	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C(Cl)=C2)=NS1	REAL300025579730	0	33	-1.0	-43.47	340.04	3.72	-39.75
C=C(C)CN1C(SCC(=O)NCCC2=NC(=O)O[N-]2)=NN=C1C1=CC=CO1	REAL300025579731	0	44	-1.0	-49.22	395.92	4.80	-44.42
CC(C)(C)C1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579732	0	48	-1.0	-45.01	349.55	4.26	-40.75
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1Cl	REAL300025579733	0	37	-1.0	-49.09	331.01	3.78	-45.31
O=C(COC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579734	0	41	-1.0	-50.23	339.58	4.60	-45.63
O=C(CCCOC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579735	0	47	-1.0	-50.03	382.03	5.10	-44.93
CC1=CC(S(N)(=O)=O)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025579736	0	38	-1.0	-49.87	330.44	-2.31	-52.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(O)=C1	REAL300025579737	0	28	-1.0	-46.30	274.71	-0.64	-46.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C([O-])=C1	REAL300025579737	1	27	-2.0	-83.38	271.15	0.11	-83.27
NC(=O)C1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025579738	0	30	-1.0	-49.07	287.74	-2.89	-51.96
COC1=CC=C(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025579739	0	38	-1.0	-46.08	334.20	0.88	-45.20
O=C(CC1=CNC2=CC(Br)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025579740	0	34	-1.0	-49.78	321.11	2.88	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(CN2C=C(Br)C=N2)=C1	REAL300025579741	0	33	-1.0	-48.96	328.01	1.25	-47.71
O=C(CC1=CSC2=CC=C(Cl)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025579742	0	33	-1.0	-47.95	321.07	4.09	-43.86
O=C(CSC1=NC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025579743	0	36	-1.0	-48.26	327.85	3.32	-44.94
CC1=CC=C(C2=NC(SCC(=O)NCCC3=NC(=O)O[N-]3)=NN2)C=C1	REAL300025579744	0	40	-1.0	-50.48	365.91	3.40	-47.08
CC1=CC=C(C2=NNC(SCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025579744	1	40	-1.0	-47.12	366.67	3.52	-43.60
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579745	0	40	-2.0	-92.28	365.31	-0.36	-92.64
CC(C)C1=NN=C(NC(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579745	1	41	-1.0	-52.36	368.61	0.77	-51.59
O=C(NCCC1=NC(=O)O[N-]1)C1(SC2=CC=CC=C2)CC1	REAL300025579746	0	35	-1.0	-44.49	314.82	3.94	-40.55
CC(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1CCOCC1	REAL300025579747	0	40	-1.0	-62.21	336.95	-1.76	-63.97
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL300025579748	0	42	-1.0	-46.08	346.26	2.69	-43.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1Br	REAL300025579749	0	27	-1.0	-42.62	272.24	2.28	-40.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=NC=C2)=N1	REAL300025579750	0	32	-1.0	-45.85	305.87	0.59	-45.26
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579751	0	39	-1.0	-52.88	343.72	1.80	-51.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(Br)=C2)=NO1	REAL300025579752	0	36	-1.0	-46.29	344.30	4.12	-42.17
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579753	0	41	-1.0	-56.75	341.68	0.88	-55.87
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC1CCCC1	REAL300025579754	0	45	-1.0	-48.58	367.48	3.66	-44.92
CC1=NOC(C2=CC=CC=C2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579755	0	36	-1.0	-44.41	320.11	3.04	-41.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCN2C(=CN=C2C2=CC=CC=C2)C1	REAL300025579756	0	44	-1.0	-49.08	362.19	4.90	-44.18
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(NC(=O)OC(C)(C)C)=N1	REAL300025579757	0	43	-1.0	-48.65	371.54	1.09	-47.56
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025579758	0	43	-1.0	-47.55	362.81	4.59	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300025579759	0	37	-1.0	-44.52	340.00	1.35	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300025579760	0	36	-1.0	-46.12	340.30	3.09	-43.03
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025579761	0	42	-1.0	-49.95	358.53	-0.32	-50.27
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300025579762	0	38	-1.0	-52.49	344.21	3.49	-49.00
COC1=CC=CC=C1C(N)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025579763	0	39	-1.0	-46.19	332.56	1.05	-45.14
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579764	0	37	-1.0	-46.09	332.40	3.71	-42.38
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579765	0	39	-1.0	-45.86	350.14	4.86	-41.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1OC(F)F	REAL300025579766	0	31	-1.0	-47.79	301.66	3.00	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300025579767	0	30	-1.0	-49.85	294.63	0.65	-49.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL300025579768	0	37	-1.0	-52.37	325.19	0.20	-52.17
CN(C)C1=NC2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579769	0	40	-1.0	-47.81	333.73	3.58	-44.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)S1	REAL300025579770	0	31	-1.0	-44.62	306.64	3.42	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2CC2)C=C1	REAL300025579771	0	35	-1.0	-45.84	314.44	4.17	-41.67
O=C(CCC1=CC(F)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579772	0	33	-1.0	-44.89	312.95	3.57	-41.32
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025579773	0	46	-1.0	-46.44	372.33	4.18	-42.26
CC(C)COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025579774	0	39	-1.0	-44.37	349.92	1.26	-43.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300025579775	0	39	-1.0	-43.60	360.17	1.81	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025579776	0	34	-2.0	-83.97	333.38	-1.08	-85.05
CC1=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=CC=C1F	REAL300025579777	0	41	-1.0	-47.95	349.34	3.17	-44.78
CCC(CC)N1N=C(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579778	0	42	-1.0	-44.46	346.13	2.92	-41.54
CC(CCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579779	0	42	-1.0	-45.87	348.50	5.12	-40.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300025579780	0	35	-1.0	-49.31	321.75	0.69	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL300025579781	0	34	-1.0	-46.19	305.98	3.78	-42.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Cl)=N1	REAL300025579782	0	32	-1.0	-45.24	301.32	2.46	-42.78
O=C(CCC1=CC=C2NC=CC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579783	0	37	-1.0	-48.48	320.69	3.07	-45.41
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC)C=C1	REAL300025579784	0	40	-1.0	-47.22	332.83	2.75	-44.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300025579785	0	42	-1.0	-49.97	347.24	1.77	-48.20
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300025579786	0	37	-1.0	-48.85	321.63	3.92	-44.93
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300025579787	0	38	-1.0	-43.63	341.74	3.86	-39.77
O=C(CCCC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025579788	0	42	-1.0	-49.59	356.94	6.06	-43.53
COCC1=NN=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025579789	0	39	-1.0	-56.83	349.86	-2.75	-59.58
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579790	0	39	-1.0	-45.83	344.90	4.59	-41.24
CC(C)(C)OCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579791	0	43	-1.0	-46.30	347.34	3.59	-42.71
CC1=C(C)N2C(=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025579792	0	35	-1.0	-49.74	312.19	2.13	-47.61
CC(C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(=O)N1	REAL300025579793	0	39	-1.0	-52.48	329.02	1.45	-51.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1F	REAL300025579794	0	26	-1.0	-44.94	264.59	0.37	-44.57
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300025579795	0	37	-1.0	-46.29	341.68	3.66	-42.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300025579796	0	36	-1.0	-43.77	339.87	3.19	-40.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL300025579797	0	34	-1.0	-47.27	307.12	-0.18	-47.45
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579798	0	42	-1.0	-45.85	371.64	5.64	-40.21
O=C(NCCC1=NC(=O)O[N-]1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025579799	0	45	-1.0	-45.37	391.09	3.56	-41.81
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025579800	0	37	-1.0	-48.18	318.98	2.58	-45.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300025579801	0	33	-1.0	-46.18	308.55	3.04	-43.14
CC(C)(C)SC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025579802	0	39	-1.0	-47.12	334.47	3.87	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300025579803	0	30	-1.0	-45.74	294.53	3.04	-42.70
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300025579804	0	33	-1.0	-43.39	329.28	0.68	-42.71
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579805	0	42	-1.0	-50.92	357.80	2.61	-48.31
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=CS1	REAL300025579806	0	23	-1.0	-46.83	248.39	-0.79	-47.62
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1N=NN=C1C(C)(C)C	REAL300025579807	0	40	-1.0	-56.80	329.61	0.54	-56.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300025579808	0	38	-1.0	-47.79	348.73	4.90	-42.89
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300025579809	0	33	-1.0	-45.87	315.86	1.15	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300025579810	0	31	-1.0	-50.04	287.13	2.59	-47.45
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579811	0	43	-1.0	-56.51	371.05	1.16	-55.35
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579812	0	39	-1.0	-50.11	347.28	-1.14	-51.25
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579813	0	44	-1.0	-55.30	382.65	3.19	-52.11
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300025579814	0	38	-1.0	-53.13	343.08	2.99	-50.14
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300025579815	0	32	-1.0	-42.39	305.76	2.99	-39.40
COCCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025579816	0	37	-1.0	-49.94	326.17	-1.53	-51.47
COC1=CC(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025579817	0	47	-1.0	-47.76	401.30	2.00	-45.76
CC1=CSC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N12	REAL300025579818	0	32	-1.0	-50.85	293.38	1.44	-49.41
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300025579819	0	34	-1.0	-47.40	338.72	3.91	-43.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Br)=C1	REAL300025579820	0	27	-1.0	-42.71	285.89	2.76	-39.95
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)=C1	REAL300025579821	0	43	-1.0	-44.53	367.18	5.20	-39.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1F	REAL300025579822	0	27	-1.0	-49.71	269.86	2.15	-47.56
CC1=CC(F)=C2NC(=O)C=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025579823	0	36	-1.0	-43.63	316.92	1.37	-42.26
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300025579824	0	37	-1.0	-47.32	355.31	4.08	-43.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025579825	0	37	-1.0	-46.62	331.37	3.21	-43.41
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(C)C=C1	REAL300025579826	0	40	-1.0	-47.54	346.36	3.82	-43.72
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300025579827	0	37	-1.0	-46.12	340.13	3.63	-42.49
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300025579828	0	43	-1.0	-47.42	367.77	4.46	-42.96
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579829	0	44	-1.0	-49.08	373.33	5.53	-43.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL300025579830	0	43	-1.0	-47.67	354.31	2.05	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300025579831	0	38	-1.0	-45.30	360.50	6.14	-39.16
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C(C)C1CC1	REAL300025579832	0	40	-1.0	-47.80	341.96	2.89	-44.91
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579833	0	47	-1.0	-49.96	389.74	2.47	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1C(F)(F)F	REAL300025579834	0	29	-1.0	-49.50	270.83	0.87	-48.63
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579835	0	42	-1.0	-46.95	352.94	4.27	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1C(F)(F)F	REAL300025579836	0	30	-1.0	-48.05	294.75	3.20	-44.85
COC1=CC=CC(C2C(C(=O)NCCC3=NC(=O)O[N-]3)CC(=O)N2C2CC2)=C1	REAL300025579837	0	49	-1.0	-50.55	400.10	3.72	-46.83
CCOC1=CC(Cl)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579838	0	34	-1.0	-48.41	309.20	3.54	-44.87
CC1=CN2C(=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025579839	0	32	-1.0	-49.96	298.81	1.65	-48.31
CC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025579840	0	39	-1.0	-47.50	340.20	4.72	-42.78
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579841	0	39	-1.0	-58.99	351.49	5.97	-53.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC(F)F)=CC=N1	REAL300025579842	0	33	-1.0	-53.05	305.12	0.39	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300025579843	0	36	-1.0	-43.98	326.96	0.09	-43.89
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025579844	0	37	-1.0	-52.16	322.02	2.86	-49.30
COC1=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025579845	0	38	-1.0	-52.19	327.98	1.60	-50.59
CCCCCCCCC(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579846	0	50	-1.0	-45.07	393.36	5.91	-39.16
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCCCC2)=N1	REAL300025579847	0	42	-1.0	-43.39	353.31	3.28	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NN=CO2)=C1	REAL300025579848	0	32	-1.0	-56.49	294.21	-2.55	-59.04
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300025579849	0	41	-1.0	-46.36	363.37	5.90	-40.46
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC(Cl)=C1	REAL300025579850	0	41	-1.0	-47.77	366.65	6.01	-41.76
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025579851	0	36	-1.0	-46.21	329.25	3.08	-43.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL300025579852	0	32	-1.0	-45.81	296.77	1.21	-44.60
CC1=CC(Br)=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579853	0	33	-1.0	-46.69	305.99	3.32	-43.37
COC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C)C=C1	REAL300025579854	0	41	-1.0	-47.63	354.44	2.44	-45.19
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300025579855	0	37	-1.0	-48.63	337.43	4.71	-43.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300025579856	0	38	-1.0	-45.56	359.40	4.04	-41.52
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579857	0	43	-1.0	-50.93	374.04	3.71	-47.22
CCC(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025579858	0	39	-1.0	-47.72	333.45	0.93	-46.79
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579859	0	54	-1.0	-59.50	428.70	3.59	-55.91
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579860	0	44	-1.0	-48.11	366.62	6.01	-42.10
CCC1=C2NC3=C(CCOC3(CC)CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025579861	0	54	-1.0	-45.39	418.07	5.22	-40.17
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300025579862	0	41	-1.0	-48.41	367.65	3.47	-44.94
CC1=NC(COC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025579863	0	39	-1.0	-55.33	346.13	0.33	-55.00
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025579864	0	39	-1.0	-57.16	333.56	0.49	-56.67
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)N1CCCS1(=O)=O	REAL300025579865	0	41	-1.0	-49.45	342.15	-0.58	-50.03
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=C(F)C=C1	REAL300025579866	0	41	-1.0	-46.46	351.46	2.96	-43.50
COC1=C(Br)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579867	0	28	-1.0	-42.81	287.17	0.59	-42.22
N#CC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025579868	0	34	-1.0	-48.09	310.29	4.19	-43.90
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C21	REAL300025579869	0	32	-1.0	-48.82	303.00	1.84	-46.98
CN(C)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025579870	0	35	-1.0	-52.80	324.67	-2.45	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025579871	0	30	-1.0	-45.63	286.39	2.34	-43.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(I)=C1	REAL300025579872	0	26	-1.0	-43.82	266.11	0.83	-42.99
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025579873	0	48	-1.0	-52.00	378.73	1.83	-50.17
COC1=CC=C(COCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579874	0	44	-1.0	-51.37	374.36	2.39	-48.98
CCOC(=O)C1=CN=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579875	0	38	-1.0	-43.64	331.38	1.99	-41.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CN=C21	REAL300025579876	0	32	-1.0	-52.30	303.64	2.96	-49.34
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025579877	0	45	-1.0	-48.66	380.49	6.00	-42.66
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579878	0	36	-1.0	-46.13	328.64	4.06	-42.07
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC(C)C	REAL300025579879	0	42	-1.0	-46.29	342.72	2.75	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12	REAL300025579880	0	34	-1.0	-51.56	307.44	2.90	-48.66
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)NCCC1=NC(=O)O[N-]1	REAL300025579881	0	36	-1.0	-55.15	327.94	2.94	-52.21
CC(C)NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579882	0	40	-1.0	-51.41	341.83	1.50	-49.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NNC=N2)=C1	REAL300025579883	0	33	-1.0	-55.39	298.42	2.42	-52.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NN=CN2)=C1	REAL300025579883	1	33	-1.0	-60.90	296.92	2.74	-58.16
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025579884	0	50	-1.0	-50.92	399.85	3.08	-47.84
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025579885	0	37	-1.0	-49.70	340.07	3.82	-45.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300025579886	0	33	-1.0	-49.06	321.18	1.83	-47.23
COC1=CC2=C(CC(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL300025579887	0	40	-1.0	-51.23	339.94	3.64	-47.59
CC(C)(C)OC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025579888	0	43	-1.0	-48.49	352.09	4.26	-44.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2CCOC2)=C1	REAL300025579889	0	38	-1.0	-47.52	318.05	2.14	-45.38
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579890	0	43	-1.0	-54.31	362.45	3.89	-50.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(I)=CC=C2N1	REAL300025579891	0	31	-1.0	-44.62	304.80	2.58	-42.04
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579892	0	50	-1.0	-55.07	397.51	3.16	-51.91
CC1=CC(F)=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025579893	0	36	-1.0	-43.98	322.61	2.03	-41.95
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300025579894	0	42	-1.0	-51.36	346.37	1.17	-50.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=N1	REAL300025579895	0	26	-1.0	-44.07	261.98	0.33	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1C(F)(F)F	REAL300025579896	0	29	-1.0	-53.02	269.93	0.92	-52.10
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579897	0	50	-1.0	-45.04	396.57	2.37	-42.67
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025579898	0	36	-1.0	-46.82	318.07	3.38	-43.44
COC1=CC=CC(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)N2)=C1	REAL300025579899	0	41	-1.0	-48.64	352.56	1.89	-46.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300025579900	0	34	-1.0	-46.95	324.44	4.43	-42.52
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025579901	0	40	-1.0	-48.10	362.12	3.60	-44.50
CN(C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025579902	0	44	-1.0	-52.68	364.88	4.58	-48.10
O=C(CC1=CNC2=CC=CC(Br)=C12)NCCC1=NC(=O)O[N-]1	REAL300025579903	0	34	-1.0	-50.61	315.79	2.69	-47.92
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579904	0	47	-1.0	-44.27	390.22	1.02	-43.25
COC1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579905	0	34	-1.0	-42.73	307.02	1.62	-41.11
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300025579906	0	36	-1.0	-47.31	332.70	2.21	-45.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2CC2)C=C1	REAL300025579907	0	38	-1.0	-51.06	331.32	1.56	-49.50
NC(=O)CCC(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579908	0	48	-1.0	-49.44	410.09	-1.45	-50.89
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579909	0	50	-1.0	-45.09	410.56	3.86	-41.23
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025579910	0	30	-1.0	-44.46	282.76	2.72	-41.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300025579911	0	37	-1.0	-51.18	336.30	5.29	-45.89
CCS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579912	0	42	-1.0	-51.99	371.49	1.45	-50.54
CC(C)CC1=CC=C(C(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579913	0	45	-1.0	-46.76	365.01	5.45	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1F	REAL300025579914	0	27	-1.0	-44.90	270.41	2.18	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1	REAL300025579915	0	38	-1.0	-46.96	321.04	0.54	-46.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1N1C=NC=N1	REAL300025579916	0	33	-1.0	-51.76	317.70	5.18	-46.58
CN1C(=O)OC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025579917	0	33	-1.0	-61.93	296.53	1.95	-59.98
N#CC1=CC=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025579918	0	39	-1.0	-50.53	369.57	5.38	-45.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300025579919	0	38	-1.0	-52.82	333.10	3.18	-49.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCCO2)S1	REAL300025579920	0	34	-1.0	-46.75	308.69	-0.32	-47.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CC=CN=C21	REAL300025579921	0	32	-1.0	-52.20	288.79	2.42	-49.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1	REAL300025579922	0	43	-1.0	-45.67	368.91	5.87	-39.80
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025579923	0	43	-1.0	-49.10	374.54	4.90	-44.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL300025579924	0	33	-1.0	-46.39	307.57	-0.34	-46.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL300025579925	0	39	-1.0	-45.99	322.45	-1.47	-47.46
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025579926	0	30	-1.0	-47.85	277.76	2.73	-45.12
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579927	0	43	-1.0	-46.04	353.08	-0.01	-46.05
O=C(CCCC1=CC(F)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025579928	0	36	-1.0	-48.30	322.69	3.90	-44.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1	REAL300025579929	0	40	-1.0	-53.36	365.23	4.62	-48.74
COC1=CC=C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579930	0	40	-1.0	-45.89	334.25	2.80	-43.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300025579931	0	41	-1.0	-52.23	355.32	3.56	-48.67
CC(C)CC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579932	0	48	-1.0	-47.40	392.03	6.49	-40.91
CC(C)(CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025579933	0	42	-1.0	-47.53	336.86	4.36	-43.17
CCS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579934	0	36	-1.0	-55.16	325.44	-0.05	-55.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1	REAL300025579935	0	44	-1.0	-45.87	382.54	5.18	-40.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1Cl	REAL300025579936	0	42	-1.0	-47.17	368.80	4.96	-42.21
CCCCNC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579937	0	41	-1.0	-45.18	337.49	3.07	-42.11
COC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025579938	0	44	-1.0	-50.51	368.62	2.46	-48.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CN=N2)=C1	REAL300025579939	0	33	-1.0	-59.95	295.70	1.45	-58.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300025579940	0	30	-1.0	-43.28	303.30	3.14	-40.14
COC1=CC=C2C(=C1)OCC2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579941	0	39	-1.0	-46.67	329.61	1.27	-45.40
CCC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025579942	0	43	-1.0	-46.44	353.74	3.33	-43.11
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579943	0	40	-1.0	-45.24	362.31	3.14	-42.10
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025579944	0	40	-1.0	-46.43	329.32	2.69	-43.74
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579945	0	37	-1.0	-47.95	343.67	3.91	-44.04
CCC1=CSC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025579946	0	36	-1.0	-49.99	334.60	2.23	-47.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300025579947	0	33	-1.0	-68.08	298.67	3.28	-64.80
O=C(CCSC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025579948	0	34	-1.0	-45.50	327.32	4.04	-41.46
O=C(COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025579949	0	37	-1.0	-48.27	354.64	4.13	-44.14
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579950	0	53	-1.0	-48.18	397.16	2.93	-45.25
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025579951	0	39	-1.0	-46.03	324.46	4.56	-41.47
O=C(CCC(=O)NC1=CC=C2NC(=O)NC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025579952	0	40	-1.0	-55.79	354.86	-1.21	-57.00
N#CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579953	0	35	-1.0	-52.89	318.65	2.23	-50.66
CC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)N1C	REAL300025579954	0	37	-1.0	-47.52	332.51	1.99	-45.53
CN1C(=O)CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025579955	0	38	-1.0	-49.02	319.01	2.43	-46.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CCOC1CCCCO1	REAL300025579956	0	48	-1.0	-47.86	394.27	2.04	-45.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2N=C1	REAL300025579957	0	32	-1.0	-45.18	291.02	1.99	-43.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)F)=C1	REAL300025579958	0	33	-1.0	-51.85	305.56	-0.48	-52.33
O=C(CCC1=CC(Br)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025579959	0	33	-1.0	-45.34	316.08	3.67	-41.67
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300025579960	0	37	-1.0	-47.54	356.93	4.33	-43.21
CCC(CC)N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025579961	0	42	-1.0	-47.72	348.95	2.87	-44.85
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1CCCCC1	REAL300025579962	0	43	-1.0	-47.25	352.07	3.23	-44.02
CC(CC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579963	0	36	-1.0	-45.35	310.70	3.70	-41.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)F	REAL300025579964	0	33	-1.0	-57.29	303.19	0.75	-56.54
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1F	REAL300025579965	0	30	-1.0	-44.52	282.13	2.33	-42.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL300025579966	0	40	-1.0	-46.47	344.49	3.25	-43.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CCCCC1	REAL300025579967	0	49	-1.0	-44.97	391.73	5.53	-39.44
COC1=CC=CC=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579968	0	35	-1.0	-51.14	315.15	2.02	-49.12
CC(CC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579969	0	36	-1.0	-44.49	321.43	4.02	-40.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)N=C1	REAL300025579970	0	33	-1.0	-47.89	305.28	-0.48	-48.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=NC=C1	REAL300025579971	0	36	-1.0	-47.09	314.25	1.34	-45.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=[NH+]C=C1	REAL300025579971	1	37	0.0	-73.69	317.67	1.80	-71.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1OC(F)F	REAL300025579972	0	37	-1.0	-50.39	326.29	4.66	-45.73
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579973	0	39	-1.0	-50.81	347.78	2.20	-48.61
CC(C)(C)OC(=O)NCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025579974	0	56	-1.0	-52.52	417.37	2.77	-49.75
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579975	0	50	-1.0	-52.90	379.37	4.03	-48.87
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025579976	0	31	-1.0	-49.17	291.19	-1.80	-50.97
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025579977	0	36	-1.0	-51.35	315.35	3.32	-48.03
CCS(=O)(=O)C1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579978	0	39	-1.0	-58.04	350.08	0.63	-57.41
CCSC1=CC(Cl)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579979	0	34	-1.0	-46.29	317.20	3.90	-42.39
CC(C)CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1=O	REAL300025579980	0	40	-1.0	-42.55	336.08	1.21	-41.34
O=C(CCC(=O)C1=CC=C2NC(=O)CCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025579981	0	43	-1.0	-48.75	369.18	2.04	-46.71
CC1=CC(C)=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579982	0	33	-1.0	-47.08	299.16	3.40	-43.68
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025579983	0	41	-1.0	-49.19	351.06	2.35	-46.84
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL300025579984	0	34	-1.0	-46.76	314.86	3.75	-43.01
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025579985	0	38	-1.0	-51.05	329.79	3.78	-47.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C(O)=C1	REAL300025579986	0	28	-1.0	-45.93	280.99	-0.17	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025579986	1	27	-2.0	-82.18	277.42	0.59	-81.59
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579987	0	41	-1.0	-48.63	353.79	4.72	-43.91
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL300025579988	0	34	-1.0	-44.89	314.44	2.74	-42.15
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025579989	0	54	-1.0	-64.09	438.36	1.01	-63.08
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)CC1	REAL300025579990	0	52	-1.0	-43.86	416.81	2.01	-41.85
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025579991	0	48	-1.0	-55.03	382.73	3.98	-51.05
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025579992	0	27	-1.0	-46.24	265.81	-0.27	-46.51
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2CCOCC2)=N1	REAL300025579993	0	37	-1.0	-44.06	319.18	-2.26	-46.32
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579994	0	38	-2.0	-104.08	344.13	-0.92	-105.00
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579994	1	39	-1.0	-50.40	347.68	-1.93	-52.33
COC1=CC=C(C(=O)C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025579995	0	33	-1.0	-43.37	309.23	1.23	-42.14
CN1C=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC2=O)C=N1	REAL300025579996	0	37	-1.0	-48.81	323.42	1.35	-47.46
CC1=NN(CC(F)F)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579997	0	36	-1.0	-46.33	325.12	1.38	-44.95
CC(C)SC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579998	0	37	-1.0	-49.07	316.75	3.92	-45.15
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)C2=CC(Cl)=CC=C21	REAL300025579999	0	39	-1.0	-52.48	348.09	4.39	-48.09
COC(=O)C(C)SC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580000	0	40	-1.0	-53.15	352.93	4.05	-49.10
COCCC1=NN=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025580001	0	42	-1.0	-54.81	371.36	-1.98	-56.79
CC1=NC=CC(NCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025580002	0	43	-1.0	-51.30	371.33	3.02	-48.28
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025580002	1	44	0.0	-68.27	374.46	3.47	-64.80
C=CCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580003	0	39	-1.0	-51.27	334.76	2.91	-48.36
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025580004	0	46	-1.0	-49.06	386.56	0.14	-48.92
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580005	0	41	-1.0	-46.32	370.69	3.64	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300025580006	0	41	-1.0	-46.02	356.95	5.70	-40.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCOC2)=C1	REAL300025580007	0	38	-1.0	-49.25	327.32	-1.19	-50.44
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580008	0	39	-1.0	-48.46	349.56	4.81	-43.65
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NN=C1C1=CC=CC=C1	REAL300025580009	0	37	-1.0	-45.22	320.55	2.12	-43.10
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025580010	0	30	-1.0	-49.84	284.79	-0.14	-49.98
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580011	0	35	-2.0	-86.42	315.47	-1.66	-88.08
CCNS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580012	0	41	-1.0	-54.45	365.58	-0.75	-55.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025580013	0	27	-2.0	-99.51	275.27	2.20	-97.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1O	REAL300025580013	1	28	-1.0	-47.80	278.84	1.20	-46.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300025580014	0	46	-1.0	-45.98	394.10	6.75	-39.23
CNS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580015	0	38	-1.0	-54.93	344.54	-1.61	-56.54
CC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580016	0	30	-1.0	-43.74	286.00	2.82	-40.92
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025580017	0	35	-1.0	-45.46	317.10	3.46	-42.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300025580018	0	37	-1.0	-52.06	334.58	4.12	-47.94
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580019	0	38	-1.0	-43.50	341.60	3.99	-39.51
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1OC	REAL300025580020	0	45	-1.0	-49.76	369.70	2.97	-46.79
O=C(CC1=CC(Cl)=CC2=C1OCC2)NCCC1=NC(=O)O[N-]1	REAL300025580021	0	35	-1.0	-49.10	320.48	2.58	-46.52
CCCCSC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580022	0	40	-1.0	-45.69	360.20	5.49	-40.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1Br	REAL300025580023	0	26	-1.0	-42.02	278.13	1.06	-40.96
O=C(CCCCC1SCC2NC(=O)NC12)NCCC1=NC(=O)O[N-]1	REAL300025580024	0	44	-1.0	-52.35	373.04	-0.60	-52.95
CNC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025580025	0	34	-1.0	-49.22	298.22	1.59	-47.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL300025580026	0	40	-1.0	-44.64	336.52	1.40	-43.24
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580027	0	44	-1.0	-47.22	366.68	0.29	-46.93
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300025580028	0	36	-1.0	-41.98	354.91	1.81	-40.17
COC1=CC=C(C(=O)CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580029	0	45	-1.0	-49.43	381.84	3.73	-45.70
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025580030	0	36	-1.0	-46.26	320.77	0.66	-45.60
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580031	0	43	-1.0	-55.08	370.76	4.24	-50.84
COC1=CC2=NNN=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580032	0	33	-1.0	-48.79	290.12	-0.61	-49.40
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300025580033	0	49	0.0	-61.74	376.95	5.54	-56.20
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580034	0	42	-1.0	-56.45	367.47	1.22	-55.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)N=CS1	REAL300025580035	0	36	-1.0	-44.99	311.71	1.96	-43.03
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)O1	REAL300025580036	0	34	-1.0	-45.69	319.96	3.27	-42.42
CC1(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)COC1	REAL300025580038	0	37	-1.0	-47.37	319.41	-1.42	-48.79
COC1=CC2=C(C=C1C(=O)NCCC1=NC(=O)O[N-]1)OCO2	REAL300025580039	0	34	-1.0	-48.69	296.62	0.77	-47.92
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1C=NN=N1	REAL300025580040	0	36	-1.0	-51.70	318.63	1.25	-50.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCCC1	REAL300025580041	0	43	-1.0	-45.99	347.90	3.23	-42.76
COC1=CC=C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025580042	0	44	-1.0	-47.88	363.48	2.70	-45.18
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300025580043	0	50	-1.0	-52.44	387.82	4.19	-48.25
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1C(C)C	REAL300025580044	0	44	-1.0	-45.67	355.73	2.54	-43.13
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025580045	0	37	-1.0	-51.34	337.10	4.07	-47.27
CN1C=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025580046	0	36	-1.0	-51.95	321.36	3.65	-48.30
COC1=CC(Br)=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580047	0	37	-1.0	-46.00	338.94	3.01	-42.99
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580048	0	49	0.0	-73.07	398.36	7.03	-66.04
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580048	1	49	0.0	-72.28	398.37	7.04	-65.24
CN(CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580048	1	48	-1.0	-48.87	396.35	4.70	-44.17
COC1=CC=C(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025580049	0	47	-1.0	-49.17	400.92	3.13	-46.04
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025580050	0	47	-1.0	-52.16	375.82	2.30	-49.86
CN1C=C(C2=CC=C(F)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025580051	0	37	-1.0	-54.90	327.90	2.92	-51.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1Br	REAL300025580052	0	29	-1.0	-52.90	282.64	2.66	-50.24
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1	REAL300025580053	0	31	-1.0	-55.75	289.82	2.19	-53.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N(C2=CC=CC=C2)N=C1	REAL300025580054	0	34	-1.0	-47.83	320.34	3.04	-44.79
CC1=CC(Br)=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025580055	0	33	-1.0	-43.49	317.22	3.21	-40.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(F)=C2)=N1	REAL300025580056	0	33	-1.0	-47.01	323.25	2.47	-44.54
CC(C)(C)OC(=O)NCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580057	0	46	-1.0	-51.87	377.43	0.56	-51.31
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1	REAL300025580058	0	36	-1.0	-49.39	337.81	0.94	-48.45
O=C(COCCNC(=O)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025580059	0	41	-1.0	-55.74	358.91	1.08	-54.66
CCOC1=CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025580060	0	50	-1.0	-49.74	400.99	4.19	-45.55
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300025580061	0	43	-1.0	-47.06	369.10	4.66	-42.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)O1	REAL300025580062	0	35	-1.0	-43.53	347.35	4.36	-39.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1	REAL300025580063	0	33	-1.0	-51.12	308.44	2.57	-48.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Cl	REAL300025580064	0	27	-1.0	-48.57	275.22	2.61	-45.96
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300025580065	0	43	-1.0	-45.91	369.13	4.66	-41.25
NC(=O)C1=CC=CC=C1NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580066	0	36	-1.0	-56.22	310.04	-2.33	-58.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(Br)S1	REAL300025580067	0	26	-1.0	-42.35	269.31	-0.07	-42.42
C[NH+](C)CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580068	0	49	0.0	-74.07	396.78	4.71	-69.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025580069	0	44	-1.0	-55.47	381.22	4.49	-50.98
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025580069	1	43	-2.0	-86.74	378.54	4.10	-82.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1	REAL300025580070	0	35	-1.0	-49.24	335.19	1.27	-47.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)SC(Br)=N1	REAL300025580071	0	30	-1.0	-43.15	299.46	1.42	-41.73
CCCCOC1=CC(OCCC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580072	0	50	-1.0	-50.18	408.21	5.65	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1Br	REAL300025580073	0	26	-1.0	-43.53	278.27	0.94	-42.59
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C)C=C1	REAL300025580074	0	46	-1.0	-47.18	383.75	5.27	-41.91
CC(C)(C)OC(=O)N1CCC(F)(F)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580075	0	47	-1.0	-49.55	381.16	2.53	-47.02
COC1=CC(Cl)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580076	0	31	-1.0	-45.76	306.68	3.18	-42.58
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300025580077	0	35	-1.0	-47.12	312.07	3.43	-43.69
COC1=CC=C2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025580078	0	38	-1.0	-46.73	314.85	2.81	-43.92
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580079	0	36	-1.0	-49.33	330.66	1.60	-47.73
CC1=C(Br)C=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580080	0	33	-1.0	-47.15	302.78	3.21	-43.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(F)C=C1F	REAL300025580081	0	27	-1.0	-44.66	274.82	2.28	-42.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1F	REAL300025580082	0	27	-1.0	-51.32	268.45	2.21	-49.11
COC(=O)C12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)C2	REAL300025580083	0	40	-1.0	-51.25	332.18	2.57	-48.68
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCC(C)C)=C1	REAL300025580084	0	47	-1.0	-50.81	382.42	4.43	-46.38
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025580085	0	43	-1.0	-47.14	366.40	4.96	-42.18
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C(CC)CC	REAL300025580086	0	45	-1.0	-46.32	366.91	3.54	-42.78
N#CCCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580087	0	41	-1.0	-49.48	359.68	3.90	-45.58
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(Cl)=C1	REAL300025580088	0	41	-1.0	-47.60	376.97	3.87	-43.73
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580089	0	40	-1.0	-43.43	367.62	4.20	-39.23
COC1=CC(OC2CC2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580090	0	39	-1.0	-50.67	331.05	3.07	-47.60
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025580091	0	46	-1.0	-47.28	380.64	5.53	-41.75
CCCCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1CC	REAL300025580092	0	42	-1.0	-46.30	351.01	2.91	-43.39
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580093	0	32	-2.0	-78.16	296.01	-2.65	-80.81
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CCC(C)C	REAL300025580094	0	45	-1.0	-46.11	368.57	3.41	-42.70
CN1N=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580095	0	27	-1.0	-42.50	265.51	-0.24	-42.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C(F)=C1	REAL300025580096	0	30	-1.0	-42.72	290.96	2.59	-40.13
CC(C)CC1=CC=C([C@H](C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580097	0	45	-1.0	-46.28	365.06	5.46	-40.82
O=C(CC1=CC=C2NC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025580098	0	34	-1.0	-52.07	303.71	-0.96	-53.03
CCNC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580099	0	35	-1.0	-43.11	311.21	2.04	-41.07
COCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580100	0	41	-1.0	-50.16	352.91	1.72	-48.44
CC(C)CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580101	0	46	-1.0	-47.74	378.65	4.96	-42.78
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025580102	0	47	-1.0	-50.31	383.14	4.66	-45.65
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC2CCCC2)=C1	REAL300025580103	0	51	-1.0	-50.63	407.94	6.02	-44.61
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCC2=CC=CC=C2)=C1	REAL300025580104	0	51	-1.0	-51.69	425.12	7.12	-44.57
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCCOC)=C1	REAL300025580105	0	51	-1.0	-52.63	420.38	3.94	-48.69
CC(=O)NCC1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025580106	0	44	-1.0	-55.18	366.65	0.02	-55.16
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)S1	REAL300025580107	0	26	-1.0	-39.80	272.48	1.04	-38.76
COC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025580108	0	37	-1.0	-46.70	305.41	2.03	-44.67
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300025580109	0	39	-1.0	-44.10	361.88	4.22	-39.88
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCC)=C1	REAL300025580110	0	47	-1.0	-50.21	386.71	4.87	-45.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OCC2=CC=CC=C2)C=N1	REAL300025580111	0	39	-1.0	-43.37	349.27	0.44	-42.93
CCC1=NN(C)C(CC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580112	0	42	-1.0	-50.97	352.80	2.45	-48.52
CCOC1=C(Cl)C=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580113	0	37	-1.0	-50.10	335.64	3.09	-47.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Br)=C2)N=C1	REAL300025580114	0	33	-1.0	-43.74	323.57	1.77	-41.97
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300025580115	0	40	-1.0	-48.62	356.33	4.51	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1C(F)(F)F	REAL300025580116	0	29	-1.0	-49.10	269.01	0.78	-48.32
C#CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025580117	0	49	-1.0	-47.22	385.35	3.66	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL300025580118	0	46	0.0	-56.92	340.38	3.72	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL300025580118	1	46	0.0	-56.97	341.04	3.77	-53.20
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580119	0	34	-1.0	-48.46	310.21	3.24	-45.22
COC1=CC=CC(C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025580120	0	43	-1.0	-51.64	369.38	4.10	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CN=C2N=C1	REAL300025580121	0	31	-1.0	-46.37	300.86	1.58	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O	REAL300025580122	0	39	-1.0	-43.14	348.64	4.02	-39.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1	REAL300025580123	0	39	-1.0	-60.35	340.69	3.53	-56.82
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025580124	0	44	-1.0	-50.58	375.10	0.14	-50.44
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=CC=C(Br)C=C21	REAL300025580125	0	33	-1.0	-45.70	319.56	-0.48	-46.18
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Br)C=C21	REAL300025580125	1	32	-2.0	-93.86	315.31	0.28	-93.58
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580126	0	48	-1.0	-46.71	387.11	2.98	-43.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC2=CC=CC=C2O1	REAL300025580127	0	37	-1.0	-58.96	331.07	3.17	-55.79
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300025580128	0	37	-1.0	-44.57	348.17	4.78	-39.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NN2C(=O)C3CC=CCC3C2=O)=C1	REAL300025580129	0	47	-1.0	-52.62	398.77	3.62	-49.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL300025580130	0	30	-1.0	-49.10	287.71	0.65	-48.45
CC(OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025580131	0	44	-1.0	-46.81	371.34	5.45	-41.36
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580132	0	47	-1.0	-53.79	374.84	5.34	-48.45
O=C(CC(C1=CC=CS1)N1C=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025580133	0	38	-1.0	-44.08	337.61	4.47	-39.61
CC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025580134	0	37	-1.0	-48.27	310.89	1.28	-46.99
CC(=O)NC1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580135	0	37	-1.0	-49.71	315.86	1.09	-48.62
CC(C)(C)OC(=O)NCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580136	0	49	-1.0	-49.67	398.93	1.34	-48.33
CC1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025580137	0	27	-1.0	-44.65	277.74	2.22	-42.43
CC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025580138	0	36	-1.0	-46.43	317.11	3.88	-42.55
CCCN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025580139	0	40	-1.0	-45.52	337.72	4.70	-40.82
O=C(CC1CCC2(CC1)OCCO2)NCCC1=NC(=O)O[N-]1	REAL300025580140	0	42	-1.0	-47.52	333.25	1.36	-46.16
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300025580141	0	37	-1.0	-46.11	333.03	4.24	-41.87
O=C(CC1=CC=C(Br)C=C1O)NCCC1=NC(=O)O[N-]1	REAL300025580142	0	31	-1.0	-50.05	299.05	0.05	-50.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1	REAL300025580143	0	38	-1.0	-46.52	354.76	3.23	-43.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CSC=C1	REAL300025580144	0	31	-1.0	-50.56	289.78	0.57	-49.99
COC1C2CC3CC1CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025580145	0	45	-1.0	-48.22	338.46	2.60	-45.62
CN1C=C(C2=NN(C)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580146	0	37	-1.0	-56.50	326.01	0.63	-55.87
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025580147	0	40	-1.0	-48.08	346.39	4.57	-43.51
CCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025580148	0	36	-1.0	-44.48	320.23	4.11	-40.37
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300025580149	0	37	-1.0	-45.79	339.34	4.35	-41.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)N=N1	REAL300025580150	0	33	-1.0	-44.23	317.33	1.75	-42.48
CN1C=C(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580151	0	34	-1.0	-55.84	303.18	-0.68	-56.52
CC1=CC2=C(Br)C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025580152	0	33	-1.0	-50.71	313.22	3.90	-46.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C2=CC=CC=C12	REAL300025580153	0	33	-1.0	-50.74	289.19	0.77	-49.97
COC1=CC=C(SCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580154	0	41	-1.0	-50.01	359.10	3.54	-46.47
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580155	0	41	-1.0	-59.18	338.42	1.58	-57.60
CC1C(C(=O)NCCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025580156	0	47	-1.0	-52.46	375.50	2.25	-50.21
O=C(CC1=CC=C(Br)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580157	0	30	-1.0	-47.41	304.06	3.29	-44.12
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580158	0	37	-1.0	-49.95	330.96	3.51	-46.44
O=C(CCCC1=CC=C(O)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580159	0	37	-1.0	-51.39	328.08	1.03	-50.36
CC1=CC=C(Br)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580160	0	29	-1.0	-43.50	278.02	1.00	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Cl	REAL300025580161	0	26	-1.0	-43.18	268.07	0.71	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2F)CC1	REAL300025580162	0	37	-1.0	-50.29	317.72	4.99	-45.30
CCOC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025580163	0	57	-1.0	-51.12	444.53	1.59	-49.53
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025580164	0	51	-1.0	-49.52	409.23	4.71	-44.81
CC1=CC=C(C)C(N2C=NC3=CC(C(=O)NCCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025580165	0	46	-1.0	-51.58	389.36	7.63	-43.95
COC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025580166	0	35	-1.0	-51.19	314.78	0.95	-50.24
CC1=CC=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025580167	0	40	-1.0	-44.90	324.14	4.16	-40.74
COC1=CC=C(OC)C(C2CC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580168	0	42	-1.0	-49.97	345.74	2.12	-47.85
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025580169	0	30	-1.0	-43.90	288.53	-0.38	-44.28
COCCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580170	0	42	-1.0	-53.79	355.48	1.56	-52.23
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCC2CC2)=C1	REAL300025580171	0	42	-1.0	-51.47	353.52	3.91	-47.56
CC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1CC1=CSC=C1	REAL300025580172	0	43	-1.0	-55.86	382.69	5.50	-50.36
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=NN1	REAL300025580173	0	33	-1.0	-45.36	294.95	0.16	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NNN=C1C1=CC=CC=C1	REAL300025580173	1	33	-1.0	-43.93	294.29	0.12	-43.81
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1F	REAL300025580174	0	36	-1.0	-51.11	317.76	3.60	-47.51
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)SC=N1	REAL300025580175	0	33	-1.0	-46.47	307.33	2.37	-44.10
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025580176	0	42	-1.0	-46.51	350.41	5.04	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300025580177	0	30	-1.0	-48.27	290.18	3.09	-45.18
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025580178	0	33	-1.0	-51.46	302.58	2.27	-49.19
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580179	0	45	-1.0	-48.48	365.14	1.23	-47.25
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025580180	0	38	-1.0	-49.88	338.11	2.08	-47.80
CC1=CC2=C(C=C1C)C(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025580181	0	38	-1.0	-47.76	319.19	2.40	-45.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=N1	REAL300025580182	0	30	-1.0	-45.97	279.79	-0.64	-46.61
CC1=C(Br)SC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580183	0	27	-1.0	-44.71	271.22	1.80	-42.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(O)=CC=C1C(F)(F)F	REAL300025580184	0	31	-1.0	-50.07	284.46	-0.28	-50.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(Cl)C(C2CC2)=C1	REAL300025580185	0	33	-1.0	-43.60	302.04	2.18	-41.42
CC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N=C1C	REAL300025580186	0	37	-1.0	-46.29	312.12	1.49	-44.80
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC2=CC=CC=C2)C=C1	REAL300025580187	0	37	-1.0	-49.07	330.22	3.19	-45.88
O=C(CNC(=O)C1=CC=CC(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580188	0	35	-1.0	-47.33	313.30	-2.83	-50.16
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580189	0	47	-1.0	-50.44	391.21	1.98	-48.46
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025580190	0	48	-1.0	-47.98	389.55	4.49	-43.49
C=CCSC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580191	0	35	-1.0	-49.00	313.30	3.96	-45.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1Cl	REAL300025580192	0	26	-1.0	-43.03	272.66	0.79	-42.24
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025580193	0	33	-1.0	-47.34	307.43	3.40	-43.94
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CC1	REAL300025580194	0	37	-1.0	-49.53	327.11	4.25	-45.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=N1	REAL300025580195	0	26	-1.0	-43.14	271.55	-0.36	-43.50
CC1=NC(C#N)=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)O1	REAL300025580196	0	42	-1.0	-51.19	358.03	-1.91	-53.10
CN(C)C1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580197	0	41	-1.0	-46.35	341.87	3.44	-42.91
O=C(NCCC1=NC(=O)O[N-]1)C1COCCN1C1CCCC1	REAL300025580198	0	43	-1.0	-45.46	331.19	-0.65	-46.11
CSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025580199	0	33	-1.0	-62.90	309.84	4.42	-58.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300025580200	0	30	-1.0	-46.02	287.55	2.60	-43.42
CC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025580201	0	38	-1.0	-51.42	328.31	4.03	-47.39
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Cl)CC1	REAL300025580202	0	37	-1.0	-48.28	325.81	5.31	-42.97
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300025580203	0	41	-1.0	-48.89	366.91	3.98	-44.91
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580204	0	45	-1.0	-48.44	365.13	1.23	-47.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025580205	0	32	-2.0	-79.80	301.70	1.39	-78.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=C(F)C=C(F)C=C2C1=O	REAL300025580205	1	33	-1.0	-47.97	304.16	1.82	-46.15
COC1=NC(C)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580206	0	33	-1.0	-46.94	307.99	0.64	-46.30
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580207	0	43	-1.0	-44.33	345.51	-0.22	-44.55
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580208	0	37	-1.0	-48.70	332.21	3.74	-44.96
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300025580209	0	40	-1.0	-48.41	340.22	4.57	-43.84
COC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025580210	0	34	-1.0	-44.15	304.77	2.08	-42.07
O=C(NCCC1=NC(=O)O[N-]1)C1CC=CCC1C(=O)N1CCOCC1	REAL300025580211	0	46	-1.0	-52.50	365.75	2.19	-50.31
CC1=COC(C2=CC=CC=C2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580212	0	37	-1.0	-48.07	325.32	3.75	-44.32
CCOC1=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025580213	0	41	-1.0	-52.16	349.83	2.53	-49.63
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300025580214	0	39	-1.0	-53.04	339.92	3.92	-49.12
CC(C)(C)C1=CN=C(CCC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025580215	0	41	-1.0	-46.63	347.81	0.48	-46.15
O=C(CC1=CC=C(F)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025580216	0	30	-1.0	-46.42	292.55	2.79	-43.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CC2CC2)=N1	REAL300025580217	0	36	-1.0	-43.79	322.51	2.33	-41.46
CC1=C(C)C=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1	REAL300025580218	0	36	-1.0	-51.39	310.32	3.07	-48.32
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C(F)(F)F	REAL300025580219	0	34	-1.0	-52.87	306.62	0.33	-52.54
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCS(=O)(=O)CC2	REAL300025580220	0	37	-1.0	-54.51	317.74	-0.93	-55.44
CN(C(=O)OC(C)(C)C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CN(C)N=C1	REAL300025580221	0	50	-1.0	-55.84	405.63	2.19	-53.65
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(=O)C2=CC=CC=C2)N=CN1	REAL300025580222	0	36	-1.0	-59.08	317.61	4.61	-54.47
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300025580223	0	47	-1.0	-53.02	381.14	2.15	-50.87
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC(C(F)(F)F)=N1	REAL300025580224	0	31	-1.0	-41.81	298.02	0.58	-41.23
COCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025580225	0	38	-1.0	-50.28	340.70	1.56	-48.72
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580226	0	39	-1.0	-48.75	349.56	4.80	-43.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=C(C(F)(F)F)N=C2C=C1	REAL300025580227	0	33	-1.0	-46.66	310.95	3.13	-43.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2C)=N1	REAL300025580228	0	39	-1.0	-44.62	347.28	3.80	-40.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1N1CCOCC1	REAL300025580229	0	40	-1.0	-48.16	328.63	1.69	-46.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1CCOCC1	REAL300025580230	0	40	-1.0	-45.73	335.04	1.76	-43.97
CC1=CC(C)=C2NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025580231	0	39	-1.0	-52.25	331.55	3.09	-49.16
CN(C)C(=O)COC1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580232	0	44	-1.0	-50.56	385.32	3.16	-47.40
CC(C)(C)OC(=O)N1CCCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025580233	0	51	-1.0	-46.22	398.30	4.89	-41.33
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025580234	0	40	-1.0	-47.54	350.07	3.87	-43.67
CC(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580235	0	39	-1.0	-54.76	343.12	0.57	-54.19
O=C(CCC1=CC=CC2=C1OCO2)NCCC1=NC(=O)O[N-]1	REAL300025580236	0	36	-1.0	-48.44	315.39	1.68	-46.76
CN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580237	0	37	-1.0	-49.07	334.89	-2.38	-51.45
CNS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580238	0	34	-1.0	-49.55	315.90	-4.21	-53.76
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL300025580239	0	30	-1.0	-47.66	283.18	1.57	-46.09
CC(C)(C)OC(=O)N1CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025580240	0	48	-1.0	-50.46	394.51	3.87	-46.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C(F)(F)F)N=C1	REAL300025580241	0	28	-1.0	-43.69	274.00	-0.05	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCC1	REAL300025580242	0	40	-1.0	-48.56	339.97	4.59	-43.97
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(OC)C=C1	REAL300025580243	0	44	-1.0	-47.37	370.75	3.11	-44.26
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1C	REAL300025580244	0	43	-1.0	-47.22	359.14	4.75	-42.47
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025580245	0	40	-1.0	-45.63	357.99	4.33	-41.30
CC(C)(C)OCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025580246	0	39	-1.0	-43.93	333.77	0.80	-43.13
O=C(NCCC1=NC(=O)O[N-]1)C1(CCOCC2=CC=CC=C2)CC1	REAL300025580247	0	44	-1.0	-46.91	375.51	4.28	-42.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CN=C2)C=C1F	REAL300025580248	0	35	-1.0	-52.78	311.90	3.05	-49.73
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580249	0	31	-2.0	-85.94	287.01	-0.49	-86.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300025580250	0	27	-2.0	-85.19	272.93	0.11	-85.08
CC(C)(C)OC(=O)N1CC2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC(C1)C2=O	REAL300025580251	0	53	-1.0	-47.65	405.38	3.77	-43.88
CC1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025580252	0	28	-1.0	-42.30	273.90	0.19	-42.11
O=C(CCC1=CC=C(C2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580253	0	43	-1.0	-46.65	363.54	6.44	-40.21
COC1=CC=C(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1OC	REAL300025580254	0	45	-1.0	-51.47	388.51	2.35	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=N1)N=CNC2=O	REAL300025580255	0	31	-1.0	-54.62	286.53	-1.19	-55.81
CN1C(=O)NC2=NC=C(C3=CC=CC(C(=O)NCCC4=NC(=O)O[N-]4)=C3)C=C21	REAL300025580256	0	43	-1.0	-54.59	370.49	3.06	-51.53
CC1=CC=C(C2=CNC=C2C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580257	0	35	-1.0	-54.41	319.50	2.99	-51.42
CCN1C=C(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580258	0	37	-1.0	-55.81	324.72	0.21	-55.60
O=C(CCCCCC1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580259	0	42	-1.0	-48.16	360.23	5.44	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300025580260	0	30	-1.0	-43.50	298.74	3.05	-40.45
CC12CC3(C)CC(C)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C2)C3	REAL300025580261	0	50	-1.0	-44.95	368.62	4.94	-40.01
CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025580262	0	36	-1.0	-45.62	327.96	4.17	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=CC=CC=C2F)S1	REAL300025580263	0	36	-1.0	-44.92	339.26	3.22	-41.70
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1Cl	REAL300025580264	0	35	-1.0	-49.97	317.15	2.03	-47.94
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580265	0	47	-1.0	-54.66	377.37	2.28	-52.38
O=C(NCCC1=NC(=O)O[N-]1)C(O)CC1=CC=CC(C(F)(F)F)=C1	REAL300025580266	0	37	-1.0	-46.61	338.09	1.96	-44.65
CC(C)(C)C1=NN=C2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN21	REAL300025580267	0	41	-1.0	-48.06	340.56	3.92	-44.14
CCCCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580268	0	44	-1.0	-50.86	364.85	3.91	-46.95
O=C(CC1(CSC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025580269	0	41	-1.0	-46.67	355.51	5.38	-41.29
CC1=CN(C2=CC=CC=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580270	0	37	-1.0	-47.71	323.10	3.37	-44.34
O=C(CCCCC(=O)C1=CC=C(F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580271	0	41	-1.0	-48.04	358.94	4.48	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(F)C=C2)OC=N1	REAL300025580272	0	33	-1.0	-45.84	305.18	0.00	-45.84
CCN1C=C(C2=NN(C)C=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580273	0	40	-1.0	-56.37	347.55	1.52	-54.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1Br	REAL300025580274	0	27	-1.0	-44.11	280.86	2.78	-41.33
O=C(CCC1=CN=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025580275	0	38	-1.0	-47.52	327.23	3.37	-44.15
COC(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580276	0	36	-1.0	-51.70	320.26	2.97	-48.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NNC=N2)C=C1	REAL300025580277	0	33	-1.0	-51.29	298.35	2.41	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=CN2)C=C1	REAL300025580277	1	33	-1.0	-54.74	296.79	2.74	-52.00
COC1=CC2=CC=C([C@H](C)C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025580278	0	43	-1.0	-50.11	359.10	4.30	-45.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C(I)C=NN1	REAL300025580279	0	24	-1.0	-43.46	250.17	-0.88	-44.34
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1OC	REAL300025580280	0	44	-1.0	-50.21	370.64	3.29	-46.92
O=C(CCC(=O)C1=CC=C(Cl)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025580281	0	34	-1.0	-45.90	322.79	1.69	-44.21
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580282	0	37	-1.0	-53.35	326.43	1.66	-51.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C(Cl)S1	REAL300025580283	0	31	-1.0	-50.47	307.56	1.32	-49.15
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=C(Cl)S2)NN=C1	REAL300025580283	1	31	-1.0	-46.10	307.93	1.22	-44.88
CC1=CN(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C(C)=NN2C)N=C1	REAL300025580284	0	40	-1.0	-53.01	348.31	2.34	-50.67
C=CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580285	0	40	-1.0	-45.29	339.95	4.71	-40.58
CSCC(C)C(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580286	0	47	-1.0	-51.94	385.95	3.03	-48.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=S)NN=C2C=C1	REAL300025580287	0	30	-1.0	-54.50	287.18	2.51	-51.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300025580287	1	29	-2.0	-97.22	283.76	2.34	-94.88
N#CC1=CC=CC(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025580288	0	35	-1.0	-52.98	325.57	3.09	-49.89
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025580289	0	30	-1.0	-45.32	299.07	2.40	-42.92
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580290	0	43	-1.0	-45.33	367.85	2.36	-42.97
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580291	0	37	-1.0	-47.05	329.52	3.44	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C(F)C1=CC=C(C(F)(F)F)C=C1	REAL300025580292	0	33	-1.0	-47.36	310.44	3.25	-44.11
CCC(C)(C)C1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580293	0	51	-1.0	-45.03	363.77	4.75	-40.28
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N=C1	REAL300025580294	0	36	-1.0	-49.14	316.09	0.99	-48.15
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)CC(=O)C1=CC=CC=C1	REAL300025580295	0	44	-1.0	-53.82	353.44	4.67	-49.15
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CC(=O)C1	REAL300025580296	0	36	-1.0	-47.94	334.51	3.50	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Br)=C2C=C1	REAL300025580297	0	33	-1.0	-45.38	307.74	4.31	-41.07
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025580298	0	36	-1.0	-46.54	322.59	3.77	-42.77
CC1=CC=C2OC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025580299	0	38	-1.0	-50.48	321.21	3.91	-46.57
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=C(Cl)C=CC=C2Cl)C=CN1	REAL300025580300	0	35	-1.0	-49.58	341.31	3.88	-45.70
COC1=CC=C(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C(F)=C1	REAL300025580301	0	40	-1.0	-44.95	360.27	2.37	-42.58
CCN1N=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)N=C21	REAL300025580302	0	38	-1.0	-47.51	325.86	2.23	-45.28
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025580303	0	33	-1.0	-53.43	296.23	3.16	-50.27
COCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025580304	0	40	-1.0	-46.77	362.90	2.13	-44.64
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(I)C=C2)CC1	REAL300025580305	0	34	-1.0	-45.32	322.08	4.34	-40.98
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300025580306	0	43	-1.0	-45.88	353.86	1.34	-44.54
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580307	0	40	-1.0	-45.88	333.29	4.79	-41.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N=C(N3CCCC3)S2)S1	REAL300025580308	0	38	-1.0	-44.54	347.52	1.91	-42.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(OC(F)(F)F)=C1	REAL300025580309	0	31	-1.0	-46.48	309.68	2.00	-44.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C2=NC=CC=C12	REAL300025580310	0	32	-1.0	-46.98	295.87	2.50	-44.48
COCCOC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580311	0	37	-1.0	-48.85	323.34	-0.78	-49.63
CCOC(=O)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580312	0	37	-1.0	-47.97	331.53	3.47	-44.50
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCC1=CC(Br)=CC=C12	REAL300025580313	0	38	-1.0	-48.01	337.45	5.25	-42.76
COC1=CC=C(C(=O)N2CCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580314	0	45	-1.0	-55.83	365.20	1.70	-54.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300025580315	0	37	-1.0	-43.54	330.88	2.76	-40.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1SC1=CC=CC=C1[N+](=O)[O-]	REAL300025580316	0	40	-1.0	-57.55	361.24	6.04	-51.51
CC1=CC=CC(OC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580317	0	41	-1.0	-53.37	352.95	6.28	-47.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC1=CC=NC=C1	REAL300025580318	0	37	-1.0	-52.21	324.94	3.79	-48.42
CC(C)(COCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580319	0	43	-1.0	-44.73	359.72	3.68	-41.05
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CS2)=N1	REAL300025580320	0	39	-1.0	-54.41	357.07	3.74	-50.67
O=C(NCCC1=NC(=O)O[N-]1)C1C2C3CC4C5CC(C2C35)C41	REAL300025580321	0	40	-1.0	-46.08	303.41	3.77	-42.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1OC1=CC=CC=C1	REAL300025580322	0	37	-1.0	-49.92	324.78	3.72	-46.20
CC1=NN(C)C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580323	0	30	-1.0	-45.04	291.95	0.26	-44.78
O=C(CC1=C(F)C=CC(Br)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025580324	0	30	-1.0	-47.00	299.14	2.88	-44.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C(Cl)=C1	REAL300025580325	0	32	-1.0	-44.54	301.32	2.41	-42.13
COC1=CC=C2OC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025580326	0	34	-1.0	-55.07	301.46	1.15	-53.92
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2C(CC(C)(C)C)=NOC2=N1	REAL300025580327	0	49	-1.0	-45.81	390.05	2.97	-42.84
CCCC1=NOC2=NC(CC)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025580328	0	43	-1.0	-45.56	360.58	1.36	-44.20
CC(C)C(NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580329	0	45	-1.0	-43.08	357.49	1.22	-41.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC(Cl)=N1	REAL300025580330	0	29	-1.0	-41.06	296.45	1.24	-39.82
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2(O)CCOCC2)OC=C1	REAL300025580331	0	39	-1.0	-47.68	322.35	-0.80	-48.48
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2Cl)=NO1	REAL300025580332	0	38	-1.0	-46.26	343.05	3.12	-43.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2OCCO2)S1	REAL300025580333	0	32	-1.0	-47.57	299.03	-1.68	-49.25
CC(C)C(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025580334	0	49	-1.0	-52.43	384.13	1.29	-51.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=N2)=C1	REAL300025580335	0	32	-1.0	-54.95	290.88	-0.36	-55.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300025580336	0	30	-1.0	-44.88	307.25	2.97	-41.91
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CCOC1=CC=C(F)C=C1	REAL300025580337	0	43	-1.0	-45.55	379.07	1.90	-43.65
CC(C)[C@@H](NC(=O)C1=CC=C(Cl)S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580338	0	40	-1.0	-42.97	363.42	1.93	-41.04
CN1C=C(OC2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580339	0	38	-1.0	-53.17	333.98	3.32	-49.85
COC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025580340	0	41	-1.0	-50.33	350.35	2.64	-47.69
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580341	0	43	-1.0	-50.19	360.28	3.47	-46.72
CCC(O)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025580342	0	37	-1.0	-44.02	323.54	1.44	-42.58
CC1=CC=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=CSC2=C1	REAL300025580343	0	33	-1.0	-48.20	299.07	3.51	-44.69
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300025580344	0	36	-1.0	-46.45	339.74	4.01	-42.44
O=C(CN1CCC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025580345	0	38	-1.0	-57.25	326.75	2.66	-54.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN1C1=C(Cl)C=CC=C1Cl	REAL300025580346	0	35	-1.0	-47.11	338.95	5.81	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)Cl)C=C1	REAL300025580347	0	31	-1.0	-43.67	299.68	1.86	-41.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC(F)(F)F	REAL300025580348	0	37	-1.0	-46.42	332.98	4.34	-42.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1C1=CC=CC=C1F	REAL300025580349	0	35	-1.0	-56.42	315.39	3.12	-53.30
CCCCCCCCCC(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580350	0	53	-1.0	-45.03	414.86	6.69	-38.34
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC=C12	REAL300025580351	0	40	-1.0	-49.26	337.34	3.59	-45.67
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CN=CC(Br)=C2)CC1	REAL300025580352	0	33	-1.0	-45.73	310.65	2.06	-43.67
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025580353	0	43	-1.0	-50.29	363.78	1.52	-48.77
O=C(CC1=C(Br)C(=O)NC=C1)NCCC1=NC(=O)O[N-]1	REAL300025580354	0	30	-1.0	-55.82	289.81	-0.37	-56.19
COC1=CC=CC(C(C)CCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580355	0	46	-1.0	-48.28	376.10	4.22	-44.06
CC1=CC(F)=CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025580356	0	36	-1.0	-44.00	328.46	1.97	-42.03
CC1=NC2=C(CCCC2C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580357	0	36	-1.0	-45.99	312.38	2.29	-43.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=CN1	REAL300025580358	0	35	-1.0	-49.33	324.79	3.41	-45.92
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC(C)=C(C)C=C21	REAL300025580359	0	39	-1.0	-44.57	336.01	4.77	-39.80
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300025580360	0	37	-1.0	-44.60	328.88	4.51	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=CC=C(Br)C=C21	REAL300025580361	0	35	-1.0	-51.31	324.87	1.18	-50.13
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300025580362	0	46	-1.0	-47.49	383.71	5.26	-42.23
O=C(CC1CC(C2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025580363	0	40	-1.0	-46.72	332.66	4.80	-41.92
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1CC1=CC=CC=C1	REAL300025580364	0	40	-1.0	-48.43	336.27	3.31	-45.12
C[C@H](OC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580365	0	34	-1.0	-48.39	314.77	3.35	-45.04
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025580366	0	54	-1.0	-47.60	413.66	2.53	-45.07
CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580367	0	46	-1.0	-44.29	385.15	0.92	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300025580368	0	34	-1.0	-48.57	335.05	4.78	-43.79
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025580369	0	39	-1.0	-53.09	337.41	-0.77	-53.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(C(F)(F)F)CC1	REAL300025580370	0	36	-1.0	-49.08	299.93	2.57	-46.51
CC(=O)NC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580371	0	37	-1.0	-51.01	321.13	1.31	-49.70
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1CC1	REAL300025580372	0	38	-1.0	-47.40	320.77	2.99	-44.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CC=C12	REAL300025580373	0	33	-1.0	-46.24	290.32	3.83	-42.41
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=COC=C2)=N1	REAL300025580374	0	34	-1.0	-52.73	304.54	0.97	-51.76
COC(CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580375	0	47	-1.0	-48.80	381.39	-0.32	-49.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=NC=C2)C=C1	REAL300025580376	0	33	-1.0	-47.88	299.83	0.94	-46.94
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300025580376	1	34	0.0	-77.59	303.20	1.40	-76.19
CC1=CC=C2NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025580377	0	36	-1.0	-53.32	313.71	2.32	-51.00
NC(C(=O)NCCC1=NC(=O)O[N-]1)(C1=CC=CC(F)=C1)C(F)(F)F	REAL300025580378	0	35	-1.0	-47.55	315.17	0.33	-47.22
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025580379	0	47	-2.0	-92.70	406.95	1.54	-91.16
O=C(CCC(=O)NC1=NN=C(C2CCCCC2)S1)NCCC1=NC(=O)O[N-]1	REAL300025580379	1	48	-1.0	-51.88	410.23	2.67	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NCC2CC2)N=C1	REAL300025580380	0	38	-1.0	-45.96	326.07	1.79	-44.17
CC(C)(C)OC(=O)N1CCC(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025580381	0	51	-1.0	-50.47	415.88	1.59	-48.88
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025580382	0	36	-1.0	-42.69	357.32	4.36	-38.33
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300025580383	0	36	-1.0	-44.03	354.89	4.47	-39.56
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025580384	0	36	-2.0	-117.71	356.61	2.33	-115.38
CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580385	0	47	-1.0	-44.55	391.10	2.53	-42.02
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025580386	0	36	-1.0	-51.38	321.03	3.30	-48.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(Cl)=C2Cl)=NO1	REAL300025580387	0	36	-1.0	-43.58	355.78	4.31	-39.27
C[Si](C)(C)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580388	0	42	-1.0	-48.82	360.79	6.71	-42.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=C1OCCC2	REAL300025580389	0	35	-1.0	-48.43	312.88	3.96	-44.47
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL300025580390	0	31	-1.0	-43.57	305.29	3.35	-40.22
CC1=NC(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025580391	0	37	-1.0	-48.20	333.34	-2.25	-50.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(C(F)(F)F)C=C1	REAL300025580392	0	42	-1.0	-47.38	380.36	3.22	-44.16
CC1=NC(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=NO1	REAL300025580393	0	34	-1.0	-49.89	317.42	-2.78	-52.67
CCC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025580394	0	30	-1.0	-44.24	287.22	-0.05	-44.29
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025580395	0	42	-1.0	-46.89	367.67	2.93	-43.96
COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025580396	0	33	-1.0	-63.17	299.76	2.68	-60.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1F	REAL300025580397	0	27	-1.0	-46.06	285.17	2.71	-43.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=C1F	REAL300025580398	0	27	-1.0	-48.94	283.38	2.67	-46.27
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)OCC1=CC=CC=C1	REAL300025580399	0	45	-1.0	-56.37	384.14	3.85	-52.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300025580400	0	43	-1.0	-55.42	378.80	6.50	-48.92
CN(C)C1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025580401	0	37	-1.0	-46.41	327.94	2.89	-43.52
N#CCCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025580402	0	41	-1.0	-63.91	362.30	5.39	-58.52
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC2=CC=CC=C2C1=O	REAL300025580403	0	39	-1.0	-50.34	333.03	3.36	-46.98
CN1N=CC2=C1N(C)C=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025580404	0	36	-1.0	-53.83	309.86	1.56	-52.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=C(Cl)C=CC=C1Cl	REAL300025580405	0	33	-1.0	-45.74	322.15	2.71	-43.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2=CC=C(F)C=C2F)=C1	REAL300025580406	0	37	-1.0	-49.12	343.50	1.97	-47.15
CC(C)(CC1=NC2=CC=CC=C2N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580407	0	42	-1.0	-46.41	346.36	3.01	-43.40
CS(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580408	0	35	-1.0	-58.82	320.14	0.81	-58.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1	REAL300025580409	0	39	-1.0	-46.82	344.63	2.16	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC1=CC=CC=C1C2=O	REAL300025580410	0	39	-1.0	-48.22	335.81	3.88	-44.34
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580411	0	53	0.0	-68.97	417.26	7.06	-61.91
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580411	1	53	0.0	-68.16	416.63	7.01	-61.15
CC(C)N1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580411	1	52	-1.0	-52.48	411.44	4.69	-47.79
CCOC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N1	REAL300025580412	0	37	-1.0	-51.46	323.58	-1.06	-52.52
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)OC=C1	REAL300025580413	0	24	-1.0	-46.45	245.71	0.22	-46.23
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025580414	0	36	-1.0	-47.35	308.91	3.52	-43.83
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300025580415	0	38	-1.0	-45.35	341.83	3.36	-41.99
N#CC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025580416	0	34	-1.0	-45.74	322.86	2.91	-42.83
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=CC=CC=C1	REAL300025580417	0	39	-1.0	-49.45	323.84	2.33	-47.12
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580418	0	41	-1.0	-54.24	345.25	3.33	-50.91
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025580419	0	40	-1.0	-54.75	347.50	3.77	-50.98
CC(OC1=CC=CC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580420	0	40	-1.0	-51.85	339.33	4.99	-46.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025580421	0	45	-1.0	-47.99	384.82	3.55	-44.44
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)F)CC1	REAL300025580422	0	38	-1.0	-46.82	306.99	-0.17	-46.99
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580423	0	38	-1.0	-56.61	330.13	2.58	-54.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=C2)=C1	REAL300025580424	0	37	-1.0	-52.04	326.58	4.80	-47.24
COC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1OC	REAL300025580425	0	41	-1.0	-48.20	368.72	1.68	-46.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2N=CC3=CC=CC=C32)C=C1Cl	REAL300025580426	0	40	-1.0	-51.72	359.47	5.31	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C=C1F	REAL300025580427	0	31	-1.0	-50.82	283.84	0.06	-50.76
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1CCCC1	REAL300025580428	0	42	-1.0	-44.80	340.02	1.59	-43.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCOC2)C=C1	REAL300025580429	0	39	-1.0	-47.58	328.52	1.18	-46.40
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(Cl)S2)=N1	REAL300025580430	0	34	-1.0	-51.03	330.43	2.63	-48.40
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(F)F)=C1	REAL300025580431	0	35	-1.0	-50.90	309.76	1.69	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C=C1C(=O)C1=CC=CC=C1	REAL300025580432	0	39	-1.0	-48.24	352.89	4.96	-43.28
CC(C)(C)C(=O)NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580433	0	49	-1.0	-47.23	383.30	2.58	-44.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1N1C=CC=N1	REAL300025580434	0	34	-1.0	-52.76	306.01	3.05	-49.71
CC1(C)COC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025580435	0	38	-1.0	-52.64	319.15	3.43	-49.21
O=C(CC1=CC=CC(Cl)=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025580436	0	30	-1.0	-47.80	297.35	3.11	-44.69
CC1=CC=CC=C1N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(C)C	REAL300025580437	0	46	-1.0	-45.83	370.71	5.20	-40.63
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025580438	0	46	-1.0	-52.19	383.51	0.85	-51.34
CCOC1=CC=C(C2=NC(CC)=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1	REAL300025580439	0	46	-1.0	-44.90	399.93	4.03	-40.87
O=C(CC1=CSC2=CC=C(Br)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025580440	0	33	-1.0	-47.90	325.63	4.19	-43.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=CN=C1Cl	REAL300025580441	0	33	-1.0	-47.45	300.25	2.27	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC1=CC=CC=C1F	REAL300025580442	0	40	-1.0	-51.62	352.54	3.54	-48.08
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=C(F)C=C1F	REAL300025580443	0	39	-1.0	-45.96	345.35	2.07	-43.89
NC(=O)C1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580444	0	37	-1.0	-53.13	315.27	-0.23	-53.36
O=C(CN1C=CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025580445	0	36	-1.0	-56.61	318.45	3.11	-53.50
O=C(CC1=CC=C(I)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580446	0	30	-1.0	-46.51	295.71	3.32	-43.19
CC1=CC=CC2=C1C(C)CC2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580447	0	43	-1.0	-45.36	344.48	5.04	-40.32
CC(O)(CN1C=C(C(F)(F)F)C=CC1=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580448	0	40	-1.0	-48.52	354.01	-0.36	-48.88
CC(C)(C)CC(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580449	0	55	-1.0	-50.64	405.44	2.57	-48.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CN=C2)C=N1	REAL300025580450	0	33	-1.0	-46.90	296.58	2.22	-44.68
O=C(CCCC(=O)C1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580451	0	38	-1.0	-55.84	352.33	4.26	-51.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025580452	0	43	0.0	-75.00	346.46	4.59	-70.41
COCCOC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580453	0	44	-1.0	-47.11	357.00	1.02	-46.09
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL300025580454	0	35	-1.0	-46.64	313.06	0.83	-45.81
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=C(Br)C=CC2=N1	REAL300025580455	0	33	-1.0	-45.51	316.43	2.97	-42.54
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2C)=NO1	REAL300025580456	0	39	-1.0	-45.88	336.22	3.99	-41.89
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580457	0	47	-1.0	-57.55	377.64	2.75	-54.80
CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025580458	0	33	-1.0	-43.01	304.67	3.85	-39.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1	REAL300025580459	0	39	-1.0	-49.54	345.92	2.32	-47.22
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580460	0	36	-1.0	-53.05	328.70	3.18	-49.87
CC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N1C	REAL300025580461	0	36	-1.0	-50.14	311.00	2.65	-47.49
CC(C)(C#N)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580462	0	37	-1.0	-51.05	319.84	3.49	-47.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1CCCCC1	REAL300025580463	0	45	-1.0	-45.22	354.48	4.04	-41.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025580464	0	46	0.0	-75.26	362.91	5.25	-70.01
CC(C)(C)OC(=O)N1CC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580465	0	45	-1.0	-49.41	372.88	2.19	-47.22
CN1N=C(C(F)F)C2=C1SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025580466	0	33	-1.0	-47.68	319.44	1.46	-46.22
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580467	0	40	-1.0	-52.03	339.46	5.01	-47.02
CC(C)CN1C=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025580468	0	43	-1.0	-51.46	350.15	5.19	-46.27
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025580469	0	40	-1.0	-46.85	344.53	2.93	-43.92
N#CC1=CC=C(CC(C#N)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580470	0	35	-1.0	-47.81	327.88	3.54	-44.27
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2CCCCC2)C=C1	REAL300025580471	0	40	-1.0	-46.32	330.57	2.56	-43.76
COC1=CC=C(OC)C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=C1	REAL300025580472	0	43	-1.0	-56.12	368.12	1.74	-54.38
COC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)C2)=C1	REAL300025580473	0	39	-1.0	-56.48	340.84	2.18	-54.30
O=C(CCSCC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025580474	0	37	-1.0	-45.13	334.02	4.39	-40.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NOC(C(F)F)=N2)C=C1	REAL300025580475	0	35	-1.0	-49.03	328.59	1.14	-47.89
CC(C)(C)OC(=O)NC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580476	0	50	-1.0	-48.45	406.93	3.56	-44.89
CC1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025580477	0	27	-1.0	-45.76	272.54	1.78	-43.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(=O)O1	REAL300025580478	0	32	-1.0	-45.67	293.62	2.86	-42.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=N1	REAL300025580479	0	26	-1.0	-48.71	270.97	-0.51	-49.22
CCCOC1=NC(C)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580480	0	39	-1.0	-51.51	333.28	1.85	-49.66
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=CC=C1F	REAL300025580481	0	26	-1.0	-46.21	266.54	0.41	-45.80
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1Br	REAL300025580482	0	26	-1.0	-46.58	256.81	0.46	-46.12
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580483	0	47	-1.0	-46.38	381.38	2.45	-43.93
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CN=C2)=NO1	REAL300025580484	0	34	-1.0	-53.74	306.45	1.11	-52.63
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2Cl)=NO1	REAL300025580485	0	39	-1.0	-45.17	354.74	4.55	-40.62
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025580486	0	39	-1.0	-45.23	344.72	3.99	-41.24
O=C(NC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1)C1CC1	REAL300025580487	0	44	-1.0	-47.69	355.41	2.12	-45.57
CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025580488	0	44	-1.0	-49.79	381.23	3.52	-46.27
N#CCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580489	0	37	-1.0	-51.65	322.80	3.75	-47.90
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Cl)C=C21	REAL300025580490	0	32	-1.0	-48.92	298.44	1.74	-47.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C1	REAL300025580491	0	35	-1.0	-47.25	301.08	-0.80	-48.05
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580492	0	45	0.0	-73.69	351.48	4.47	-69.22
CS(=O)(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025580493	0	38	-1.0	-54.03	355.38	-0.73	-54.76
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025580494	0	48	-1.0	-47.43	402.91	4.05	-43.38
O=C(COC1=CC=CC(I)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580495	0	31	-1.0	-50.46	304.63	3.21	-47.25
CCSCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580496	0	37	-1.0	-46.79	323.75	4.29	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(F)=C1	REAL300025580497	0	33	-1.0	-42.35	300.13	1.90	-40.45
CS(=O)(=O)CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580498	0	42	-1.0	-60.02	369.27	0.93	-59.09
CCCC(CCCS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580499	0	44	-1.0	-53.49	368.01	0.14	-53.35
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCC(C)C)=C1	REAL300025580500	0	44	-1.0	-50.93	363.46	3.80	-47.13
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CC=C2O1	REAL300025580501	0	32	-1.0	-49.68	303.52	3.07	-46.61
O=C(CCC1=CC2=CC=CC=C2N=C1)NCCC1=NC(=O)O[N-]1	REAL300025580502	0	38	-1.0	-48.24	330.51	3.38	-44.86
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Br)CC1	REAL300025580503	0	34	-1.0	-46.41	313.44	3.85	-42.56
O=C(CCOCC(F)(F)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025580504	0	33	-1.0	-45.87	308.82	0.62	-45.25
CC(NC(=O)OC(C)(C)C)C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580505	0	46	-1.0	-49.98	368.44	0.75	-49.23
CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580506	0	40	-1.0	-48.18	338.83	3.41	-44.77
CC(CCC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025580507	0	46	-1.0	-46.75	375.69	0.88	-45.87
CCCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580508	0	41	-1.0	-50.84	343.35	3.13	-47.71
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(C)C)=C1	REAL300025580509	0	41	-1.0	-51.03	339.77	2.94	-48.09
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1F	REAL300025580510	0	36	-1.0	-48.68	318.30	3.63	-45.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1	REAL300025580511	0	37	-1.0	-47.30	341.68	4.32	-42.98
CC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580512	0	43	-1.0	-47.99	360.23	4.11	-43.88
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OCCOC(C)C)=C1	REAL300025580513	0	48	-1.0	-54.40	397.61	3.28	-51.12
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025580514	0	34	-1.0	-48.98	304.88	0.54	-48.44
COC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580515	0	33	-1.0	-48.53	298.78	2.77	-45.76
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OCC1=CC=CC=C1	REAL300025580516	0	41	-1.0	-53.02	360.20	3.19	-49.83
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1C	REAL300025580517	0	36	-1.0	-43.27	315.41	2.10	-41.17
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025580518	0	46	-1.0	-54.92	398.67	4.18	-50.74
CC(C)(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580519	0	46	-1.0	-47.92	376.93	4.26	-43.66
CC1=NC2=CC=CC=C2N1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580520	0	39	-1.0	-47.86	336.07	3.56	-44.30
CCCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(O)=C1	REAL300025580521	0	41	-1.0	-48.27	346.38	1.92	-46.35
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025580522	0	43	-1.0	-46.38	350.84	3.40	-42.98
CCCCS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580523	0	42	-1.0	-51.61	368.42	1.55	-50.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)C=N1	REAL300025580524	0	33	-1.0	-46.35	311.46	0.50	-45.85
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1C	REAL300025580525	0	33	-1.0	-50.73	301.20	1.62	-49.11
CC(C)(C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025580526	0	39	-1.0	-45.48	332.14	4.04	-41.44
COC1=CC=C(C(=O)CCCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580527	0	48	-1.0	-55.92	403.34	4.51	-51.41
CCN1N=NC2=C1CCC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025580528	0	39	-1.0	-50.19	325.21	1.12	-49.07
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC(F)=CC=C2F)=NO1	REAL300025580529	0	35	-1.0	-54.98	322.31	3.08	-51.90
O=C(CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580530	0	38	-1.0	-53.86	362.92	4.61	-49.25
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025580531	0	44	-1.0	-60.97	375.49	2.79	-58.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCCC2=O	REAL300025580532	0	39	-1.0	-47.14	326.31	3.72	-43.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=NC=C1	REAL300025580534	0	38	-1.0	-47.95	336.64	0.45	-47.50
CC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025580535	0	30	-1.0	-44.18	294.98	3.26	-40.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(F)C=C2O1	REAL300025580536	0	32	-1.0	-43.43	299.64	1.86	-41.57
COCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580537	0	44	-1.0	-46.64	365.02	-1.64	-48.28
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOC1	REAL300025580538	0	45	-1.0	-51.97	362.11	-1.46	-53.43
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580539	0	45	-1.0	-50.56	377.58	1.28	-49.28
N#CC1=CC(F)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025580540	0	35	-1.0	-48.53	321.08	3.71	-44.82
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(C#N)=C1	REAL300025580541	0	37	-1.0	-47.72	325.79	3.60	-44.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1OCC1CC1	REAL300025580542	0	37	-1.0	-47.32	343.18	2.62	-44.70
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C2=CC=C(Cl)C=C2C#N)CC1	REAL300025580543	0	46	-1.0	-46.80	385.44	3.97	-42.83
CC(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580544	0	43	-1.0	-51.09	351.91	-0.21	-51.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC(Br)=C21	REAL300025580545	0	33	-1.0	-49.63	302.33	4.51	-45.12
COC1=CC=C(C(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)C=C1	REAL300025580546	0	48	-1.0	-46.46	410.59	3.41	-43.05
NS(=O)(=O)CCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580547	0	40	-1.0	-55.46	350.64	-2.64	-58.10
CC(C)C1=CC=C2OC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025580548	0	39	-1.0	-51.45	332.15	3.79	-47.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC3=CC=CN=C32)C=C1	REAL300025580549	0	42	-1.0	-50.13	363.18	5.85	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(NC(=O)C2CC2)=C1	REAL300025580550	0	37	-1.0	-50.62	326.88	1.72	-48.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)S1	REAL300025580551	0	27	-1.0	-42.13	275.85	1.72	-40.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)NC2=CC=CC=C2)=C1	REAL300025580552	0	41	-1.0	-58.99	355.34	3.55	-55.44
CNS(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580553	0	40	-1.0	-50.46	336.68	-3.32	-53.78
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580554	0	44	-1.0	-54.02	363.75	1.96	-52.06
COC1=CC2=C(C=C1OC)N(C)C(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=N2	REAL300025580555	0	43	-1.0	-55.88	365.56	1.16	-54.72
N#CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C(F)=C1	REAL300025580556	0	40	-1.0	-46.17	348.77	2.38	-43.79
CC(C)(C)OC(=O)N1CCOCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580557	0	48	-1.0	-44.76	375.14	0.54	-44.22
N#CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL300025580558	0	43	-1.0	-51.18	368.80	3.41	-47.77
CN1C(=O)C2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580559	0	36	-1.0	-50.04	308.31	2.50	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300025580560	0	37	-1.0	-46.64	342.99	3.69	-42.95
CC1=CC=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)N=C12	REAL300025580561	0	35	-1.0	-50.53	317.31	3.20	-47.33
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1OC	REAL300025580562	0	38	-1.0	-47.81	318.33	1.54	-46.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(C(F)(F)F)C=C1F	REAL300025580563	0	30	-1.0	-44.85	292.08	2.68	-42.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=N1	REAL300025580564	0	30	-1.0	-42.02	286.53	-0.43	-42.45
COC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025580565	0	38	-1.0	-50.30	323.82	2.54	-47.76
CCC1=CC=C2OC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025580566	0	36	-1.0	-51.45	314.88	3.30	-48.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(Cl)=C1	REAL300025580567	0	27	-1.0	-42.20	285.08	2.66	-39.54
CC(CN1C=CC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580568	0	40	-1.0	-44.74	332.73	4.49	-40.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=NNN=C21	REAL300025580569	0	29	-1.0	-49.14	285.08	-0.53	-49.67
O=C(CCOCC(F)(F)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025580570	0	33	-1.0	-44.25	313.34	0.86	-43.39
NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1Cl	REAL300025580571	0	30	-1.0	-48.20	287.87	-2.96	-51.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1N1CCCC1	REAL300025580572	0	42	-1.0	-46.52	357.42	4.17	-42.35
CC(=O)C1=CC(Br)=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580573	0	36	-1.0	-58.27	337.25	4.14	-54.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)C(=O)N1	REAL300025580574	0	30	-1.0	-44.88	284.59	-0.27	-45.15
CC(C)CC1=CC=CC(C(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580575	0	45	-1.0	-46.15	365.06	5.45	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1CCS(=O)(=O)C2=CC=CC=C21	REAL300025580576	0	37	-1.0	-54.25	323.34	0.06	-54.19
CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=CS1	REAL300025580577	0	36	-1.0	-49.56	327.57	2.94	-46.62
CN(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NC2=CC=CC=C21	REAL300025580578	0	40	-1.0	-45.58	340.87	1.83	-43.75
CC1=CC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL300025580579	0	37	-1.0	-53.80	313.19	2.89	-50.91
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1OC	REAL300025580580	0	35	-1.0	-44.19	326.25	1.52	-42.67
NC1=NC(C2CCCC2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580581	0	40	-1.0	-43.20	329.55	1.25	-41.95
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)S(=O)(=O)C1CC1	REAL300025580582	0	36	-1.0	-61.21	312.44	-0.85	-62.06
O=C(CC(C1=NC=CN1)C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025580583	0	40	-1.0	-54.31	337.06	3.42	-50.89
CN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025580584	0	43	-1.0	-48.68	354.34	1.57	-47.11
CC1=CC(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=NO1	REAL300025580585	0	38	-1.0	-48.81	339.59	0.40	-48.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC=C1Br	REAL300025580586	0	24	-1.0	-47.67	252.30	1.07	-46.60
COC1=CC(C)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580587	0	34	-1.0	-47.90	310.04	3.28	-44.62
COC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025580588	0	37	-1.0	-49.77	324.10	2.37	-47.40
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(Br)=C2)CC1	REAL300025580589	0	34	-1.0	-44.39	321.55	3.95	-40.44
CCC(C)(C)C1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580590	0	52	-1.0	-45.07	380.09	5.61	-39.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CN=C2)=NO1	REAL300025580591	0	35	-1.0	-48.25	317.95	1.72	-46.53
O=C(CC1=CC=C2N=CSC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025580592	0	32	-1.0	-50.78	299.07	1.60	-49.18
O=C(CCCS(=O)(=O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580593	0	39	-1.0	-56.68	366.82	1.33	-55.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300025580594	0	36	-1.0	-50.92	317.34	4.25	-46.67
CC1=NC2=C3C=CC=NC3=NN2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580595	0	46	-1.0	-55.15	387.23	4.38	-50.77
CNC1=NC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025580596	0	33	-1.0	-55.97	301.80	1.40	-54.57
C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580597	0	44	-1.0	-50.60	367.63	6.15	-44.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300025580598	0	29	-2.0	-91.67	283.80	-1.15	-92.82
CC1=C(Br)C=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580599	0	32	-1.0	-41.37	305.42	3.40	-37.97
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Br	REAL300025580600	0	30	-1.0	-42.41	297.54	3.17	-39.24
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580601	0	42	-1.0	-46.54	358.92	5.24	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025580602	0	34	-2.0	-107.49	317.91	0.83	-106.66
CC1=CC2=C(C)C=CN=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580603	0	38	-1.0	-55.51	321.65	3.55	-51.96
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2CCCCC2)=N1	REAL300025580604	0	39	-1.0	-43.00	328.24	0.14	-42.86
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC(Cl)=CC2=C1	REAL300025580605	0	30	-1.0	-45.72	291.37	1.71	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1(OC2=CC=C(Cl)C=C2)CC1	REAL300025580606	0	35	-1.0	-42.12	319.18	3.08	-39.04
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)C2=CC=CC=C21	REAL300025580607	0	36	-1.0	-48.54	307.26	3.10	-45.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(F)=C1Br	REAL300025580608	0	27	-1.0	-44.01	282.00	2.72	-41.29
COCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)C=C1C	REAL300025580609	0	40	-1.0	-57.24	337.44	1.37	-55.87
CCN1CCC([NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025580610	0	54	0.0	-70.19	397.26	2.77	-67.42
CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025580610	1	55	1.0	-129.66	400.37	5.13	-124.53
CCN(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1Cl	REAL300025580611	0	41	-1.0	-48.81	348.17	2.71	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)CC1	REAL300025580612	0	38	-1.0	-48.81	321.03	0.57	-48.24
CS(=O)(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580613	0	36	-1.0	-60.23	316.44	-0.37	-60.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=NN1	REAL300025580614	0	37	-1.0	-45.38	328.40	2.35	-43.03
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=CC=C(Cl)C=C21	REAL300025580615	0	33	-1.0	-45.92	315.01	-0.57	-46.49
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Cl)C=C21	REAL300025580615	1	32	-2.0	-94.66	311.44	0.20	-94.46
CCOC(=O)C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580616	0	32	-1.0	-43.79	309.29	0.32	-43.47
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025580617	0	33	-1.0	-55.20	308.32	-0.92	-56.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C(F)=CC=C2N1	REAL300025580618	0	31	-1.0	-47.73	303.84	2.12	-45.61
COC(=O)N[C@@H](CC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580619	0	40	-1.0	-43.97	325.53	-1.09	-45.06
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025580620	0	51	-1.0	-56.78	391.41	4.14	-52.64
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(SCC2CC2)=C1F	REAL300025580621	0	38	-1.0	-49.94	352.14	4.92	-45.02
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025580622	0	43	-1.0	-47.38	362.56	0.09	-47.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300025580623	0	37	-1.0	-43.16	345.93	3.20	-39.96
COC1=CC=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025580624	0	41	-1.0	-46.45	360.17	2.61	-43.84
CN1C2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C(=O)N(C)C1=O	REAL300025580625	0	36	-1.0	-50.85	329.99	1.04	-49.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(N2CCOCC2)C(F)=C1	REAL300025580626	0	40	-1.0	-44.10	339.36	0.64	-43.46
COC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025580627	0	41	-1.0	-44.17	358.69	1.98	-42.19
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CN=C1	REAL300025580628	0	36	-1.0	-47.99	316.94	0.72	-47.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2S1	REAL300025580629	0	30	-1.0	-43.00	303.69	3.55	-39.45
COC1=CC=CC(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025580630	0	41	-1.0	-45.69	360.44	2.03	-43.66
O=C(CN1C2=CC=CC=C2N=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025580631	0	43	-1.0	-54.36	367.67	5.62	-48.74
N#CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025580632	0	32	-1.0	-52.96	317.34	3.02	-49.94
CC1=CC=C(Br)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580633	0	33	-1.0	-46.83	306.37	3.37	-43.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1	REAL300025580634	0	36	-1.0	-50.50	325.99	4.27	-46.23
CC1=NN=C(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)O1	REAL300025580635	0	37	-1.0	-51.12	333.87	-4.84	-55.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2N=C1C1CC1	REAL300025580636	0	38	-1.0	-45.47	329.00	2.34	-43.13
O=C(CN1C(=O)C(F)(F)C2=CC([N+](=O)[O-])=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025580637	0	37	-1.0	-55.00	351.11	3.25	-51.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CN(C)N=C1	REAL300025580638	0	36	-1.0	-46.43	318.54	-0.57	-47.00
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Cl	REAL300025580639	0	34	-1.0	-49.06	310.09	3.98	-45.08
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025580640	0	33	-1.0	-46.73	307.55	3.38	-43.35
O=C(CC1=CC2=CC=CC=C2C(=O)N1)NCCC1=NC(=O)O[N-]1	REAL300025580641	0	36	-1.0	-55.36	318.94	1.30	-54.06
O=C(CC1COC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025580642	0	36	-1.0	-53.34	311.08	2.20	-51.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC(F)F)=C1	REAL300025580643	0	30	-1.0	-49.32	281.79	-1.02	-50.34
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1OC	REAL300025580644	0	38	-1.0	-50.06	344.13	1.99	-48.07
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025580645	0	44	-1.0	-50.21	356.84	0.41	-49.80
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CC1	REAL300025580646	0	37	-1.0	-46.79	337.75	4.68	-42.11
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C([N+](=O)[O-])C=C1F	REAL300025580647	0	33	-1.0	-51.09	305.67	2.26	-48.83
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC=C1Cl	REAL300025580648	0	34	-1.0	-44.72	302.08	3.90	-40.82
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(CC2)C1	REAL300025580649	0	48	-1.0	-49.67	388.39	2.90	-46.77
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580650	0	42	-1.0	-51.86	354.57	2.19	-49.67
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1Br	REAL300025580651	0	30	-1.0	-43.40	292.87	2.68	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CC2)C=C1	REAL300025580652	0	37	-1.0	-50.86	334.83	0.85	-50.01
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300025580653	0	42	-1.0	-60.48	362.71	1.68	-58.80
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)SC=C1	REAL300025580654	0	24	-1.0	-46.57	252.27	1.17	-45.40
COC1=CC=C(OC(F)(F)F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580655	0	35	-1.0	-47.98	316.57	1.87	-46.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC2=C1OC(F)(F)O2	REAL300025580656	0	33	-1.0	-45.47	298.71	1.32	-44.15
COC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025580657	0	34	-1.0	-48.86	313.47	2.07	-46.79
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580658	0	50	-1.0	-47.94	415.96	1.60	-46.34
O=C(CSCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580659	0	34	-1.0	-48.79	333.65	4.21	-44.58
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580660	0	40	-1.0	-47.23	344.06	2.57	-44.66
CN1N=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580661	0	30	-1.0	-42.45	285.05	0.24	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2=C1N=C(NC1=CC=CC=C1)S2	REAL300025580662	0	45	-1.0	-47.18	381.42	4.93	-42.25
CC(C)(C)C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580663	0	42	-1.0	-51.88	354.50	2.13	-49.75
CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025580664	0	33	-1.0	-43.20	298.82	3.40	-39.80
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025580665	0	30	-1.0	-48.58	289.69	3.10	-45.48
COC(=O)C[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025580666	0	53	-1.0	-58.02	431.26	3.17	-54.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(NC2=CC(F)=CC(F)=C2)=N1	REAL300025580667	0	35	-1.0	-43.86	334.99	2.14	-41.72
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580668	0	55	-1.0	-46.67	410.79	4.75	-41.92
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)(C2=CC=CC(Cl)=C2)C1	REAL300025580669	0	40	-1.0	-44.62	341.93	4.83	-39.79
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025580670	0	36	-1.0	-44.53	313.79	3.38	-41.15
COCCN1C=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025580671	0	45	-1.0	-49.73	384.05	0.21	-49.52
C=CCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580672	0	38	-1.0	-48.57	332.19	3.03	-45.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(OC(F)F)=C1	REAL300025580673	0	30	-1.0	-46.03	298.66	-0.61	-46.64
CC(OCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580674	0	40	-1.0	-48.86	343.69	4.08	-44.78
N#CC1=CC=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=C1Cl	REAL300025580675	0	39	-1.0	-50.39	358.74	3.29	-47.10
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025580676	0	37	-1.0	-58.02	330.47	-1.10	-59.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL300025580677	0	30	-1.0	-46.91	282.89	0.64	-46.27
CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025580678	0	41	-1.0	-50.07	343.35	3.15	-46.92
CC1=CC=CC(CNC(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025580679	0	47	-1.0	-50.22	402.52	4.36	-45.86
CCOC(=O)C1=C(C)NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580680	0	37	-1.0	-48.27	326.82	1.44	-46.83
CC(=O)NC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC(C)C	REAL300025580681	0	45	-1.0	-48.57	356.62	1.80	-46.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C=C1F	REAL300025580682	0	37	-1.0	-51.77	333.37	4.53	-47.24
CCOCC1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580683	0	36	-1.0	-45.00	324.93	0.03	-44.97
CC=CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580684	0	41	-1.0	-49.21	353.90	3.90	-45.31
CN(C)C1=NC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580685	0	31	-1.0	-48.42	299.36	0.89	-47.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)OCC2=CC=CC=C2)N1	REAL300025580686	0	41	-1.0	-45.17	369.17	3.87	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2)C1	REAL300025580687	0	39	-1.0	-48.33	321.99	1.86	-46.47
CC1=NN=NN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025580688	0	35	-1.0	-51.22	315.13	1.64	-49.58
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580689	0	48	-1.0	-43.01	373.48	1.69	-41.32
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580690	0	43	-1.0	-56.91	381.68	2.21	-54.70
CC(C)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025580691	0	39	-1.0	-52.39	338.95	2.53	-49.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1CC(F)(F)F	REAL300025580692	0	30	-1.0	-45.83	283.45	0.56	-45.27
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580693	0	36	-1.0	-50.55	322.74	2.88	-47.67
CC(OCC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580694	0	37	-1.0	-50.47	328.60	3.37	-47.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Br)C=C1F	REAL300025580695	0	27	-1.0	-44.69	283.93	2.69	-42.00
CCN(CC)C1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)OC2=C1	REAL300025580696	0	46	-1.0	-49.41	384.95	5.30	-44.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1F	REAL300025580697	0	27	-1.0	-47.65	275.63	2.72	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Br	REAL300025580698	0	27	-1.0	-42.41	282.12	2.73	-39.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300025580699	0	32	-1.0	-51.81	306.66	4.22	-47.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CCN2C=CC=N2)C=C1	REAL300025580700	0	37	-1.0	-50.08	332.64	1.17	-48.91
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CCCN1C(=O)C1=CC=CC=C1	REAL300025580701	0	41	-1.0	-61.20	342.00	3.74	-57.46
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC1C1=CC=CC=C1	REAL300025580702	0	40	-1.0	-46.99	327.38	4.69	-42.30
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CCC2=CC=CC=C2)C=C1	REAL300025580703	0	40	-1.0	-48.04	351.64	3.95	-44.09
CCN1C(=O)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025580704	0	43	-1.0	-50.70	359.50	1.97	-48.73
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580705	0	40	-1.0	-44.24	326.32	-0.77	-45.01
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1C1=CC=CC=C1	REAL300025580706	0	43	-1.0	-46.96	332.36	4.83	-42.13
O=C(NCCC1=NC(=O)O[N-]1)C1COCCN1C(=O)OCC1=CC=CC=C1	REAL300025580707	0	46	-1.0	-54.12	385.51	2.61	-51.51
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580708	0	49	-1.0	-46.72	387.74	3.04	-43.68
CC1=NSC(NC2CC2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580709	0	35	-1.0	-44.22	319.91	0.25	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(F)=C2N=C1	REAL300025580710	0	32	-1.0	-47.63	290.84	2.00	-45.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(Cl)C=C2)=C1	REAL300025580711	0	34	-1.0	-47.04	328.38	4.64	-42.40
CC1=NN(C(C)C)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580712	0	42	-1.0	-51.71	351.27	2.53	-49.18
CC1(C)OC(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025580713	0	37	-1.0	-63.92	318.01	4.13	-59.79
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300025580714	0	40	-1.0	-47.07	349.74	4.98	-42.09
COC1=CC(C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580715	0	34	-1.0	-48.00	309.64	3.11	-44.89
CCC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580716	0	30	-1.0	-44.15	298.07	2.67	-41.48
CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580717	0	47	-1.0	-45.23	391.21	2.57	-42.66
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580718	0	47	-1.0	-45.24	391.20	2.57	-42.67
CN(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025580719	0	42	-1.0	-48.18	345.36	3.63	-44.55
O=C(CC1=CSC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025580720	0	27	-1.0	-45.79	277.29	1.70	-44.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CCC2=CC=CC=C2)N=N1	REAL300025580721	0	39	-1.0	-45.33	347.35	2.50	-42.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)CNC2=O	REAL300025580722	0	36	-1.0	-50.62	317.75	-2.44	-53.06
CC1=CC(CC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025580723	0	42	-1.0	-43.95	358.38	5.05	-38.90
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL300025580724	0	42	-1.0	-48.80	335.14	5.06	-43.74
CN(C)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580725	0	35	-1.0	-44.43	317.07	2.56	-41.87
CN(C)C1=CC(C#N)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580726	0	36	-1.0	-45.86	315.19	2.30	-43.56
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=NN(C)C=C1	REAL300025580727	0	36	-1.0	-48.33	321.73	0.66	-47.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300025580728	0	32	-1.0	-46.92	301.66	3.24	-43.68
O=C(NCCC1=NC(=O)O[N-]1)C(=O)N1CCN(C2=CC=CC=C2)CC1	REAL300025580729	0	43	-1.0	-40.49	349.90	0.76	-39.73
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300025580730	0	44	-1.0	-50.22	354.70	3.27	-46.95
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)C=C1	REAL300025580731	0	34	-1.0	-46.63	325.97	3.32	-43.31
COC1=CC=CC(C(=O)CCCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580732	0	42	-1.0	-60.37	360.52	2.93	-57.44
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(F)(F)F)=N1	REAL300025580733	0	29	-1.0	-41.18	288.78	0.47	-40.71
COC(=O)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580734	0	33	-1.0	-47.68	319.36	2.80	-44.88
O=C(CC1=CNC2=CC=CC(Cl)=C12)NCCC1=NC(=O)O[N-]1	REAL300025580735	0	34	-1.0	-50.81	312.50	2.63	-48.18
COC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025580736	0	35	-1.0	-46.78	318.15	1.40	-45.38
N#CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1C(F)(F)F	REAL300025580737	0	30	-1.0	-45.22	296.39	1.05	-44.17
CC(C)C(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025580738	0	39	-1.0	-50.44	336.15	1.60	-48.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300025580739	0	31	-1.0	-46.24	288.67	1.20	-45.04
CCC1=NC(C(C)C)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580740	0	41	-1.0	-45.43	333.26	2.95	-42.48
CC1CCCN(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=N2)C1	REAL300025580741	0	44	-1.0	-46.91	356.50	2.30	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1=C(NC2=CC=CC=C2)SC=N1	REAL300025580742	0	35	-1.0	-46.34	318.02	1.40	-44.94
C[NH+](C)CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580743	0	42	0.0	-77.38	344.14	4.28	-73.10
CC1=CC=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580744	0	50	-1.0	-44.67	402.05	3.52	-41.15
CN1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025580745	0	27	-1.0	-48.44	268.16	-0.04	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)SC(Cl)=N1	REAL300025580746	0	23	-1.0	-41.99	261.57	-0.27	-42.26
O=C(CCN1C(=O)CCNC1=S)NCCC1=NC(=O)O[N-]1	REAL300025580747	0	35	-1.0	-58.65	314.88	0.42	-58.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCOCC2)C(Cl)=C1	REAL300025580748	0	41	-1.0	-45.49	361.04	0.20	-45.29
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025580749	0	36	-1.0	-47.99	309.89	1.43	-46.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=NOC3=CC=C(Cl)C=C32)CC1	REAL300025580750	0	44	-1.0	-49.38	379.26	3.58	-45.80
CC1=CC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025580751	0	32	-1.0	-44.63	302.64	3.35	-41.28
CC1(C)C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025580752	0	38	-1.0	-49.91	326.53	1.04	-48.87
CC(C)(C)CCC1(O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580753	0	46	-1.0	-48.06	359.25	1.07	-46.99
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=CO1	REAL300025580754	0	33	-1.0	-46.97	297.35	-0.22	-47.19
CCOC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025580755	0	35	-1.0	-43.92	317.33	1.40	-42.52
O=C(CCC(=O)C1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025580756	0	37	-1.0	-49.36	337.74	3.52	-45.84
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@H]2C1	REAL300025580757	0	45	-1.0	-47.01	368.88	2.78	-44.23
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1OCCC2=C1C=CS2	REAL300025580758	0	38	-1.0	-49.28	325.19	3.16	-46.12
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(OCC2CCCO2)CC1	REAL300025580759	0	48	-1.0	-54.60	373.83	1.98	-52.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1Cl	REAL300025580760	0	27	-1.0	-42.88	278.38	2.61	-40.27
C#CCCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580761	0	36	-1.0	-46.92	321.84	3.11	-43.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2C=N1	REAL300025580762	0	32	-1.0	-50.17	305.36	2.63	-47.54
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025580763	0	27	-1.0	-45.33	271.27	0.14	-45.19
O=C(COC1=CC=C(Cl)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580764	0	31	-1.0	-47.96	299.44	2.67	-45.29
COC1=CC=CC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)=C1	REAL300025580765	0	37	-1.0	-47.10	330.14	0.53	-46.57
O=C(CC1CCCS(=O)(=O)C1)NCCC1=NC(=O)O[N-]1	REAL300025580766	0	36	-1.0	-54.63	306.58	-1.48	-56.11
COCCOCCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025580767	0	41	-1.0	-47.99	357.81	-1.15	-49.14
O=C(CCN1C=C(Br)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025580768	0	30	-1.0	-44.34	292.01	0.81	-43.53
CN1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025580769	0	43	-1.0	-50.15	349.09	1.01	-49.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025580769	1	44	0.0	-73.97	356.45	3.88	-70.09
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025580769	1	44	0.0	-73.84	356.66	3.85	-69.99
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580770	0	40	-1.0	-48.03	342.78	4.34	-43.69
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=C(Cl)C=CC2=N1	REAL300025580771	0	36	-1.0	-45.62	333.36	3.61	-42.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1	REAL300025580772	0	37	-1.0	-44.45	345.68	4.30	-40.15
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(Br)C=C21	REAL300025580773	0	33	-1.0	-42.96	318.30	4.17	-38.79
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N+](=O)[O-]	REAL300025580774	0	38	-1.0	-56.27	313.07	4.21	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C=CC(F)=C2N=C1	REAL300025580775	0	32	-1.0	-47.22	296.43	2.04	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C(Br)=C1	REAL300025580776	0	33	-1.0	-44.62	307.72	4.31	-40.31
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300025580777	0	41	-1.0	-48.63	343.96	3.57	-45.06
NC(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580778	0	37	-1.0	-51.17	323.87	-0.19	-51.36
CC(C(=O)NCCC1=NC(=O)O[N-]1)N(C(=O)OC(C)(C)C)C1CC1	REAL300025580779	0	47	-1.0	-48.28	370.97	2.95	-45.33
CN1N=CC(I)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580780	0	27	-1.0	-42.80	276.66	0.25	-42.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=C(C#N)C=C12	REAL300025580781	0	34	-1.0	-45.67	317.88	3.95	-41.72
CC(C)(C)OC(=O)N1CCCC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580782	0	50	-1.0	-56.00	395.32	2.97	-53.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(Br)=CN=C2S1	REAL300025580783	0	27	-1.0	-42.26	285.05	1.89	-40.37
COCCOCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580784	0	41	-1.0	-48.81	353.85	1.50	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)CCCC2=C1	REAL300025580785	0	36	-1.0	-46.91	308.15	3.15	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1Br	REAL300025580786	0	27	-1.0	-49.23	265.28	2.20	-47.03
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1F	REAL300025580787	0	47	-1.0	-46.98	400.66	2.84	-44.14
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580788	0	38	-1.0	-44.54	339.66	1.99	-42.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=NC=C2)N=C1	REAL300025580789	0	33	-1.0	-47.67	299.43	0.94	-46.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300025580789	1	34	0.0	-72.85	302.80	1.39	-71.46
CC1=CC=C2SN=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025580790	0	32	-1.0	-45.42	295.35	2.21	-43.21
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025580791	0	33	-1.0	-45.15	305.15	3.38	-41.77
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Br)=C1	REAL300025580792	0	36	-1.0	-44.82	329.77	4.12	-40.70
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580793	0	40	-1.0	-47.47	338.85	2.53	-44.94
COC(=O)C12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025580794	0	43	-1.0	-47.76	342.37	3.14	-44.62
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CC=C2F)=N1	REAL300025580795	0	42	-1.0	-52.89	369.08	4.69	-48.20
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300025580796	0	44	-1.0	-52.73	354.14	3.40	-49.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OC2CCCCC2)C(Cl)=C1	REAL300025580797	0	43	-1.0	-44.39	370.09	2.59	-41.80
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025580798	0	38	-1.0	-52.88	324.55	1.46	-51.42
CC(C)(C)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025580799	0	39	-1.0	-44.27	320.93	0.80	-43.47
CN1C=C(C2=NC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025580800	0	36	-1.0	-53.06	315.01	1.00	-52.06
CC1=CC(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C12	REAL300025580801	0	36	-1.0	-52.65	314.12	1.21	-51.44
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2Br)CC1	REAL300025580802	0	37	-1.0	-47.86	330.13	5.34	-42.52
CCC1C(C(=O)NCCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025580803	0	50	-1.0	-50.74	385.19	3.24	-47.50
CC1=CC=C(C2=CSC(C(=O)NCCC3=NC(=O)O[N-]3)=C2N2C=CC=C2)C=C1	REAL300025580804	0	45	-1.0	-49.13	399.49	8.19	-40.94
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025580805	0	44	0.0	-74.39	342.90	3.53	-70.86
COC1=C(Cl)C=C2NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025580806	0	35	-1.0	-53.92	321.17	1.36	-52.56
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2)OC1=O	REAL300025580807	0	37	-1.0	-44.37	323.96	3.47	-40.90
CC(C)OC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580808	0	40	-1.0	-47.89	336.45	3.86	-44.03
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=C(F)C=CC=C2F)=N1	REAL300025580809	0	42	-1.0	-57.22	372.28	4.92	-52.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC2)C=C1	REAL300025580810	0	40	-1.0	-45.47	326.79	4.70	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2Cl)C1	REAL300025580811	0	39	-1.0	-45.21	333.86	2.28	-42.93
CC1=CC=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025580812	0	33	-1.0	-44.91	303.76	3.61	-41.30
O=C(CCCC1=CC=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025580813	0	36	-1.0	-48.23	323.51	4.18	-44.05
CC1=CC(=O)C=C(C)N1CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580814	0	42	-1.0	-63.50	347.26	3.18	-60.32
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=CC=C2F)C1	REAL300025580815	0	39	-1.0	-45.80	325.66	1.77	-44.03
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025580816	0	39	-1.0	-43.45	326.76	4.07	-39.38
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025580817	0	36	-1.0	-54.97	327.07	1.27	-53.70
CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580818	0	54	-1.0	-52.15	424.62	4.57	-47.58
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025580819	0	26	-1.0	-45.02	270.25	-0.03	-45.05
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025580820	0	39	-1.0	-48.05	324.99	1.82	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=C(Cl)C=C2)=N1	REAL300025580821	0	35	-1.0	-43.25	331.79	3.41	-39.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1	REAL300025580822	0	29	-1.0	-47.42	278.99	0.89	-46.53
CC1=CSC(NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025580823	0	38	-1.0	-48.04	340.19	2.55	-45.49
NC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=NC(N2CCOCC2)=N1	REAL300025580824	0	39	-1.0	-46.87	335.00	0.15	-46.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OCC(F)F)C=N1	REAL300025580825	0	32	-1.0	-45.03	302.37	-2.30	-47.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CCOCC2)N=N1	REAL300025580826	0	37	-1.0	-44.76	317.12	-1.30	-46.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Cl	REAL300025580827	0	32	-1.0	-46.70	299.21	2.51	-44.19
CC1=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC=C1	REAL300025580828	0	33	-1.0	-45.24	302.70	3.58	-41.66
CN1N=NC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580829	0	26	-1.0	-43.45	265.01	-1.71	-45.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(C(F)(F)F)C=C1F	REAL300025580830	0	30	-1.0	-44.71	298.25	2.50	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=C(Cl)C=C2Cl)=NO1	REAL300025580831	0	35	-1.0	-56.93	340.34	4.11	-52.82
COC1=CC=C(C(=O)CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580832	0	42	-1.0	-58.05	360.35	2.95	-55.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1NC(=O)C=C2	REAL300025580833	0	33	-1.0	-59.02	289.76	0.94	-58.08
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580834	0	46	-1.0	-43.58	366.89	1.03	-42.55
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025580835	0	51	-1.0	-50.14	406.28	1.66	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1Br	REAL300025580836	0	32	-1.0	-46.40	302.93	2.62	-43.78
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580837	0	40	-1.0	-49.78	352.88	5.45	-44.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)CSC2=C1	REAL300025580838	0	33	-1.0	-49.54	303.32	0.57	-48.97
CC1C(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025580839	0	50	-1.0	-47.90	382.31	2.83	-45.07
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300025580840	0	40	-1.0	-44.42	323.65	3.36	-41.06
CC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025580841	0	35	-1.0	-51.86	312.14	3.41	-48.45
CC1(C)COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025580842	0	38	-1.0	-46.83	320.11	2.50	-44.33
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC(F)=CC=C2F)=N1	REAL300025580843	0	42	-1.0	-54.67	375.04	5.00	-49.67
CC1=CC(F)=CC=C1C1=NC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025580844	0	45	-1.0	-51.36	391.84	5.51	-45.85
COC1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C21	REAL300025580845	0	34	-1.0	-48.27	299.79	-0.45	-48.72
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300025580846	0	46	-1.0	-51.30	373.12	6.08	-45.22
CC(C)(C)OC(=O)N1CC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580847	0	44	-1.0	-49.94	367.66	1.46	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CS2)CCCCC1	REAL300025580848	0	43	-1.0	-48.72	347.64	4.69	-44.03
CC1=NOC(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)=C1	REAL300025580849	0	38	-1.0	-48.47	338.70	0.40	-48.07
CC1=CC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025580850	0	39	-1.0	-46.15	338.05	4.32	-41.83
CCOC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580851	0	36	-1.0	-47.23	319.92	3.14	-44.09
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC(F)=CC=C21	REAL300025580852	0	33	-1.0	-43.09	303.43	3.63	-39.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C=NC2=C(Br)C=CC=C21	REAL300025580853	0	33	-1.0	-47.58	318.05	-0.37	-47.95
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025580853	1	32	-2.0	-94.56	314.49	0.41	-94.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NC(C2=CC=CC=C2)=C1	REAL300025580854	0	35	-1.0	-45.48	310.53	2.28	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CN=C1C1=CC=CC=C1	REAL300025580855	0	35	-1.0	-45.77	306.94	3.07	-42.70
COC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025580856	0	37	-1.0	-46.91	328.21	-0.77	-47.68
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580857	0	40	-1.0	-59.73	362.52	-1.70	-61.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=CC=N1	REAL300025580858	0	33	-1.0	-55.68	296.48	0.51	-55.17
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=N2)NN=C1	REAL300025580858	1	33	-1.0	-51.69	294.93	0.50	-51.19
CC(=O)C1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=C(C)C=C2O1	REAL300025580859	0	41	-1.0	-51.02	357.20	3.85	-47.17
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580860	0	44	-1.0	-47.52	374.48	2.94	-44.58
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300025580861	0	36	-1.0	-50.23	313.67	2.84	-47.39
CC(=CC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580862	0	34	-1.0	-48.21	305.74	3.76	-44.45
CC(=CC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580863	0	34	-1.0	-46.24	307.46	3.84	-42.40
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580864	0	34	-1.0	-46.95	321.78	4.21	-42.74
CC(C)CC(=O)NC(CC1=CNC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580865	0	46	-1.0	-47.16	376.71	1.39	-45.77
CC(C)CC(=O)NC(CC1=CN=CN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580865	1	46	-1.0	-48.16	376.09	0.73	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300025580866	0	36	-1.0	-48.11	329.95	3.40	-44.71
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300025580867	0	41	-1.0	-52.30	337.33	1.02	-51.28
COC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=CO1	REAL300025580868	0	36	-1.0	-52.29	327.36	1.75	-50.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL300025580869	0	29	-1.0	-44.58	277.17	0.73	-43.85
CC(CC1=CN=CC2=CC=CC=C21)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580870	0	41	-1.0	-46.81	343.27	3.82	-42.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=CN(C3=CC=C(Cl)C=C3)C2=C1	REAL300025580871	0	40	-1.0	-49.21	366.72	6.70	-42.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1Br	REAL300025580872	0	26	-1.0	-42.68	271.83	0.82	-41.86
COC(C)(C)C1=NC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580873	0	39	-1.0	-43.66	336.29	0.21	-43.45
CC1=CC(C(F)(F)F)=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580874	0	33	-1.0	-52.39	311.27	1.09	-51.30
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580875	0	33	-1.0	-52.17	323.98	1.48	-50.69
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300025580876	0	34	-1.0	-47.39	317.13	4.18	-43.21
CC(C)(C)OC(=O)NCCCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025580877	0	52	-1.0	-51.76	435.46	0.03	-51.73
CS(=O)(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025580878	0	36	-1.0	-43.90	304.82	-1.23	-45.13
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CN=N2)C=CS1	REAL300025580879	0	30	-1.0	-58.96	286.50	0.80	-58.16
CC1(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)OCCO1	REAL300025580880	0	35	-1.0	-47.67	319.65	-1.00	-48.67
O=C(NCCC1=NC(=O)O[N-]1)C1CN(C(=O)C2CCCCC2)C1	REAL300025580881	0	44	-1.0	-51.02	354.70	2.23	-48.79
COC1=CC=CC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580882	0	38	-1.0	-49.21	325.34	2.87	-46.34
CNC1=CC(I)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580883	0	32	-1.0	-42.93	300.76	1.79	-41.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=N1	REAL300025580884	0	26	-1.0	-42.01	268.33	0.91	-41.10
CC(C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(F)(F)F	REAL300025580885	0	36	-1.0	-46.33	318.26	3.71	-42.62
CC1=CC=C(OC2=CC=CC=C2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580886	0	44	-1.0	-49.91	376.08	5.68	-44.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)CC2CC2)C=C1	REAL300025580887	0	40	-1.0	-51.74	357.00	1.54	-50.20
CC(C)(CC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580888	0	40	-1.0	-46.55	339.74	4.25	-42.30
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025580889	0	35	-1.0	-62.83	328.21	0.74	-62.09
CC1=CC([N+](=O)[O-])=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025580890	0	32	-1.0	-51.23	305.39	3.97	-47.26
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300025580891	0	37	-1.0	-51.90	329.15	4.37	-47.53
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300025580892	0	37	-1.0	-46.15	334.57	4.57	-41.58
O=C(COCC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025580893	0	34	-1.0	-50.82	319.14	3.12	-47.70
CC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)C=C1	REAL300025580894	0	40	-1.0	-43.50	350.60	3.37	-40.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CO1	REAL300025580895	0	24	-1.0	-43.45	249.24	0.18	-43.27
CC1=CC(OCC2=CC=CC=C2)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580896	0	41	-1.0	-52.44	367.12	5.61	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(F)=C2)C=N1	REAL300025580897	0	37	-1.0	-44.78	337.36	2.80	-41.98
CC1=CC=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025580898	0	40	-1.0	-44.21	349.40	3.35	-40.86
O=C(CC1=CC=CC=C1OC1CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025580899	0	44	-1.0	-48.11	361.80	4.48	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC(Cl)=C2)C=N1	REAL300025580900	0	37	-1.0	-44.29	347.68	3.25	-41.04
CC1=CC=CC(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2)=C1	REAL300025580901	0	40	-1.0	-44.09	352.35	3.40	-40.69
CC(C)(C)OC(=O)NCC1OCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580902	0	48	-1.0	-56.70	386.65	-1.05	-57.75
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)OC(C)(C)C)=C1	REAL300025580903	0	45	-1.0	-44.87	374.36	4.90	-39.97
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1	REAL300025580904	0	34	-1.0	-45.59	317.13	4.19	-41.40
CC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580905	0	27	-1.0	-45.47	274.93	1.95	-43.52
COC(=O)C1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)OC=N1	REAL300025580906	0	35	-1.0	-51.17	317.85	-1.68	-52.85
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCCN21	REAL300025580907	0	34	-1.0	-47.25	312.46	2.04	-45.21
O=C(NCCC1=NC(=O)O[N-]1)C1(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300025580908	0	37	-1.0	-45.82	351.02	1.45	-44.37
CCOC(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)OCC	REAL300025580909	0	44	-1.0	-47.97	373.80	0.98	-46.99
CCC1(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)COC1	REAL300025580910	0	40	-1.0	-47.12	337.17	-0.61	-47.73
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580911	0	38	-1.0	-45.43	337.21	3.15	-42.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C(F)(F)F)=N1	REAL300025580912	0	28	-1.0	-41.28	275.10	-1.05	-42.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1	REAL300025580913	0	36	-1.0	-46.07	357.00	2.64	-43.43
CC1=CC=C2C(=O)N(C(C)C(=O)NCCC3=NC(=O)O[N-]3)C(=O)C2=C1	REAL300025580914	0	40	-1.0	-54.24	348.02	3.32	-50.92
CC(C)(C)OC(=O)N1CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580915	0	41	-1.0	-59.18	338.44	1.58	-57.60
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025580916	0	27	-1.0	-44.68	269.21	-0.25	-44.93
COC1=CC(Cl)=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580917	0	31	-1.0	-48.42	293.49	1.40	-47.02
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580918	0	37	-1.0	-47.61	328.78	3.36	-44.25
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1C(=O)C2=CC=CC=C2C1=O	REAL300025580919	0	37	-1.0	-55.08	326.67	2.64	-52.44
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580920	0	40	-1.0	-44.40	350.74	3.30	-41.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=C2CCCN21	REAL300025580921	0	31	-1.0	-50.76	287.88	1.56	-49.20
CN1C=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C=N1	REAL300025580922	0	34	-1.0	-47.33	312.18	1.18	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=CC=C3)N2C1	REAL300025580923	0	43	-1.0	-50.75	356.58	4.84	-45.91
O=C(CC1=CC2=CC(Cl)=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025580924	0	34	-1.0	-49.83	316.63	2.62	-47.21
CC1=CC=CC(C2=NN=C3CCC(C(=O)NCCC4=NC(=O)O[N-]4)CN32)=C1	REAL300025580925	0	46	-1.0	-50.70	378.15	5.51	-45.19
N#CC1=C(Br)C=CC=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580926	0	32	-1.0	-60.62	316.76	3.01	-57.61
CN1N=C(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580927	0	37	-1.0	-45.28	323.45	2.83	-42.45
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025580928	0	49	-1.0	-49.47	413.96	-0.75	-50.22
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580929	0	56	-1.0	-43.27	419.72	2.72	-40.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C(Cl)C=CC=C12	REAL300025580930	0	34	-1.0	-44.13	311.42	2.67	-41.46
CN1N=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580931	0	27	-1.0	-43.34	270.19	-0.23	-43.57
CC1=CC=CC(CS(=O)(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580932	0	42	-1.0	-51.89	374.34	1.38	-50.51
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)C=C1	REAL300025580933	0	47	-1.0	-49.11	399.65	0.81	-48.30
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300025580934	0	34	-1.0	-44.66	327.76	4.54	-40.12
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CCC2=CC=C(F)C=C2)C1	REAL300025580935	0	44	-1.0	-48.43	380.16	3.96	-44.47
O=C(CC1CSC2=CC=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025580936	0	36	-1.0	-52.02	320.63	3.56	-48.46
CN1C=C(C(=O)C2=CC=CC3=CC=CC=C32)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580937	0	46	-1.0	-47.60	398.50	6.70	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=C2)=C1	REAL300025580938	0	40	-1.0	-48.60	346.10	5.99	-42.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025580939	0	46	0.0	-68.09	363.22	5.29	-62.80
CC(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025580940	0	39	-1.0	-46.95	338.55	3.82	-43.13
CC1=CC=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025580941	0	36	-1.0	-45.18	316.20	1.96	-43.22
CCOC1=CC=C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580942	0	43	-1.0	-45.73	356.05	3.73	-42.00
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1	REAL300025580943	0	36	-1.0	-48.83	324.07	4.24	-44.59
CC1(C)CC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025580944	0	41	-1.0	-46.86	333.16	3.29	-43.57
CCC(CC)OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580945	0	43	-1.0	-45.93	348.05	3.78	-42.15
O=C(CC1=CC=CC=C1OC1CCOC1)NCCC1=NC(=O)O[N-]1	REAL300025580946	0	42	-1.0	-51.85	352.07	1.92	-49.93
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025580947	0	36	-1.0	-53.49	328.33	-0.02	-53.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=N1	REAL300025580948	0	39	-1.0	-44.10	335.25	2.48	-41.62
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1	REAL300025580949	0	34	-1.0	-45.65	312.57	4.09	-41.56
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580950	0	38	-1.0	-49.89	324.22	2.92	-46.97
CCC1=CC=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025580951	0	39	-1.0	-45.22	335.09	2.72	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CN=C2)N=N1	REAL300025580952	0	32	-1.0	-45.59	295.60	-0.54	-46.13
O=C(CC(C1=CC=C(O)C=C1)C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025580953	0	41	-1.0	-46.01	345.48	2.08	-43.93
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Br)S1	REAL300025580954	0	26	-1.0	-39.79	277.11	1.14	-38.65
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025580955	0	30	-1.0	-41.56	306.12	3.16	-38.40
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1CC1=CC=CC=C1	REAL300025580956	0	42	-1.0	-45.48	359.74	2.80	-42.68
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580957	0	46	-1.0	-50.92	381.58	0.91	-50.01
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=C(F)C=CC=C2F)=N1	REAL300025580958	0	33	-1.0	-48.14	312.50	0.40	-47.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC=C(Cl)C=C2O1	REAL300025580959	0	32	-1.0	-43.25	309.95	2.31	-40.94
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL300025580960	0	47	-1.0	-43.95	372.08	1.37	-42.58
CC(C)=CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580961	0	44	-1.0	-49.47	371.26	4.47	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C2=C1CCCC2	REAL300025580962	0	44	-1.0	-52.42	371.73	5.12	-47.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)C2CCC2)C=C1	REAL300025580963	0	40	-1.0	-51.10	351.20	1.41	-49.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2C=CC=CN21	REAL300025580964	0	33	-1.0	-50.38	312.80	2.65	-47.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300025580965	0	33	-1.0	-52.04	301.35	0.45	-51.59
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1COCC[C@@H]1C1=CC=CC=C1	REAL300025580966	0	41	-1.0	-48.85	325.16	2.59	-46.26
COC1=CC=C(Br)C=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580967	0	38	-1.0	-46.35	347.47	3.35	-43.00
COC1CCCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025580968	0	41	-1.0	-50.93	328.33	0.82	-50.11
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CSC=N1	REAL300025580969	0	43	-1.0	-44.52	371.51	0.04	-44.48
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C(C)NC(=O)OC(C)(C)C	REAL300025580970	0	52	-1.0	-49.94	399.44	2.57	-47.37
CC(C)(C)OC(=O)N1CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025580971	0	44	-1.0	-56.03	359.94	1.35	-54.68
CC(C)(C)OC(=O)NCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025580972	0	47	-1.0	-52.26	383.90	1.08	-51.18
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580973	0	50	-1.0	-49.09	408.68	2.86	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2	REAL300025580974	0	44	-1.0	-46.95	371.68	5.03	-41.92
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2	REAL300025580975	0	41	-1.0	-55.07	365.33	4.75	-50.32
CC1=CC=C(F)C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025580976	0	44	-1.0	-52.35	380.44	5.37	-46.98
CC1=CC=CC(F)=C1N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C1CCC2	REAL300025580977	0	44	-1.0	-50.03	374.29	5.40	-44.63
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2	REAL300025580978	0	41	-1.0	-50.75	356.58	4.53	-46.22
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580979	0	30	-1.0	-50.76	298.05	-1.86	-52.62
CN1N=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025580980	0	36	-1.0	-53.32	317.88	2.08	-51.24
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580981	0	35	-1.0	-44.34	303.70	3.40	-40.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C2=CC(Br)=CC=C2O1	REAL300025580982	0	32	-1.0	-44.84	314.60	2.41	-42.43
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1C=CC=N1	REAL300025580983	0	37	-1.0	-50.05	317.16	3.66	-46.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300025580984	0	40	-1.0	-49.52	349.35	3.07	-46.45
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580985	0	46	-1.0	-58.19	390.82	-0.19	-58.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1CCOCC1	REAL300025580986	0	38	-1.0	-49.69	317.55	-0.62	-50.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025580987	0	30	-2.0	-103.21	286.03	2.13	-101.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1O	REAL300025580987	1	31	-1.0	-49.55	289.59	1.13	-48.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025580988	0	32	-2.0	-95.31	299.99	-0.79	-96.10
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300025580989	0	37	-1.0	-46.55	318.88	3.83	-42.72
CCOC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025580990	0	39	-1.0	-48.49	340.71	3.92	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300025580991	0	47	-1.0	-47.70	383.31	5.47	-42.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300025580992	0	33	-1.0	-53.68	317.16	-0.53	-54.21
O=C(CC1=NSC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025580993	0	32	-1.0	-52.25	298.67	2.20	-50.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1	REAL300025580994	0	40	-1.0	-46.61	350.79	3.84	-42.77
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025580995	0	27	-1.0	-44.54	276.58	1.90	-42.64
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2F)C2=C1CCC2	REAL300025580996	0	41	-1.0	-53.71	375.22	5.19	-48.52
CCC(CC1=CC=CC=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580997	0	42	-1.0	-46.83	334.84	4.65	-42.18
CC1=CC(F)=CC(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C3=C2CCC3)=C1	REAL300025580998	0	44	-1.0	-47.30	377.95	5.19	-42.11
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025580999	0	36	-1.0	-53.05	318.85	5.19	-47.86
O=C(CCC1=CC=CC(OC(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581000	0	37	-1.0	-47.86	328.59	2.61	-45.25
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)O1	REAL300025581001	0	27	-1.0	-42.47	268.27	1.07	-41.40
CC(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581002	0	37	-1.0	-52.39	323.75	1.13	-51.26
COC(=O)N1CC2CCC1C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025581003	0	42	-1.0	-50.56	335.79	1.42	-49.14
COC(=O)N1CC2C=CC1C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025581004	0	40	-1.0	-56.86	328.48	2.27	-54.59
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300025581005	0	40	-1.0	-41.41	314.51	3.37	-38.04
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1	REAL300025581006	0	43	-1.0	-42.21	357.08	6.24	-35.97
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581007	0	47	-1.0	-50.28	387.85	1.05	-49.23
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581008	0	41	-1.0	-49.31	341.98	0.59	-48.72
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581009	0	43	-1.0	-49.07	363.84	4.59	-44.48
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1	REAL300025581010	0	40	-1.0	-45.52	332.11	4.50	-41.02
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025581011	0	30	-1.0	-43.76	304.57	3.10	-40.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)O1	REAL300025581012	0	28	-1.0	-42.65	288.72	1.31	-41.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025581013	0	26	-2.0	-86.58	272.62	-1.34	-87.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(I)C(O)=C1	REAL300025581013	1	27	-1.0	-44.66	276.19	-2.11	-46.77
CC(C)(C)OC(=O)N1[C@H](CCC(=O)NCCC2=NC(=O)O[N-]2)COC1(C)C	REAL300025581014	0	54	-1.0	-53.77	423.25	1.83	-51.94
CC(CC(=O)NCCC1=NC(=O)O[N-]1)N1C=C(Br)C=N1	REAL300025581015	0	33	-1.0	-44.76	306.58	1.27	-43.49
CN1N=C2C=C(Br)C=CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581016	0	33	-1.0	-43.56	316.40	1.99	-41.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC2=CC(Cl)=CN=C12	REAL300025581017	0	29	-1.0	-52.85	291.83	1.65	-51.20
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581018	0	51	-1.0	-47.65	408.03	4.67	-42.98
CC(C)(C)OC(=O)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581019	0	50	-1.0	-47.32	386.30	3.69	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1OC(F)F	REAL300025581020	0	31	-1.0	-46.10	301.67	2.99	-43.11
COC1=CC(Br)=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581021	0	31	-1.0	-45.74	306.68	3.18	-42.56
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025581022	0	32	-2.0	-81.02	301.48	1.37	-79.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300025581022	1	33	-1.0	-47.44	303.93	1.80	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300025581023	0	34	-1.0	-46.61	310.69	2.76	-43.85
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=CC(F)=C2C1=O	REAL300025581024	0	32	-2.0	-85.76	299.92	1.38	-84.38
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581025	0	36	-1.0	-47.13	328.92	3.99	-43.14
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025581026	0	41	-1.0	-43.66	350.36	2.52	-41.14
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2F)C2=C1CCC2	REAL300025581027	0	41	-1.0	-51.34	368.66	5.11	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C(F)=C2)C2=C1CCC2	REAL300025581028	0	41	-1.0	-46.58	372.72	5.03	-41.55
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2	REAL300025581029	0	41	-1.0	-46.87	362.93	4.60	-42.27
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2F)C2=C1CCC2	REAL300025581030	0	41	-1.0	-50.04	368.67	5.11	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(Cl)=C2S1	REAL300025581031	0	30	-1.0	-44.64	298.76	3.45	-41.19
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=CC(Br)=CC=C21	REAL300025581032	0	34	-1.0	-44.82	310.10	3.94	-40.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025581033	0	29	-2.0	-99.19	291.30	2.86	-96.33
COC1=C(Br)C=CC(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581034	0	31	-1.0	-46.15	306.26	1.57	-44.58
O=C(CC1=CC=C2OCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025581035	0	38	-1.0	-49.50	321.63	2.85	-46.65
CSC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581036	0	40	-1.0	-48.96	351.04	4.83	-44.13
O=C(CN1N=NN=C1C1=CSC=C1)NCCC1=NC(=O)O[N-]1	REAL300025581037	0	32	-1.0	-53.93	301.93	0.13	-53.80
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=C(F)C(F)=C1	REAL300025581038	0	36	-1.0	-43.43	329.89	1.83	-41.60
CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(Cl)C=C2C=C1	REAL300025581039	0	35	-1.0	-52.98	320.67	3.45	-49.53
CCOC(=O)C1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581040	0	45	-1.0	-49.25	364.28	4.05	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2F)CCC1	REAL300025581041	0	37	-1.0	-50.87	315.82	3.75	-47.12
O=C(CN1C=CC2=CC=C(F)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025581042	0	34	-1.0	-51.48	307.50	3.76	-47.72
CC1(C)CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025581043	0	38	-1.0	-46.68	320.71	2.79	-43.89
CC(C)(C)OC(=O)COCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581044	0	39	-1.0	-57.19	331.91	2.02	-55.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL300025581045	0	33	-1.0	-53.58	311.06	4.84	-48.74
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=N1	REAL300025581046	0	38	-1.0	-54.10	331.59	2.89	-51.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2S1	REAL300025581047	0	29	-1.0	-44.14	297.64	1.74	-42.40
CCCC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581048	0	45	-1.0	-47.61	375.21	6.03	-41.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300025581049	0	36	-1.0	-46.38	315.06	3.40	-42.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1N1CCOCC1	REAL300025581050	0	43	-1.0	-45.70	350.82	1.75	-43.95
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581051	0	44	-1.0	-47.22	360.63	0.27	-46.95
COC1=CC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2C=C1	REAL300025581052	0	34	-1.0	-47.94	298.38	1.16	-46.78
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(O)C=C2O1	REAL300025581053	0	34	-1.0	-50.68	302.14	-1.22	-51.90
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025581054	0	32	-1.0	-51.85	312.33	3.35	-48.50
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025581055	0	46	0.0	-71.72	363.82	5.14	-66.58
C[N@H+]1CCCC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025581055	1	46	0.0	-71.75	363.81	5.13	-66.62
N#CC1=CC(Br)=CC=C1N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581056	0	37	-1.0	-44.99	345.06	1.79	-43.20
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581057	0	44	-1.0	-51.21	348.73	3.91	-47.30
COC(=O)C1=C(COCC(=O)NCCC2=NC(=O)O[N-]2)OC=N1	REAL300025581058	0	36	-1.0	-57.23	330.95	-2.09	-59.32
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300025581059	0	39	0.0	-63.04	319.47	0.48	-62.56
O=C(CN1CC2=CC=CC=C2OC1=O)NCCC1=NC(=O)O[N-]1	REAL300025581060	0	36	-1.0	-57.36	317.41	2.33	-55.03
CC1=C(C2=CC=CC=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581061	0	37	-1.0	-44.82	334.55	4.87	-39.95
O=C(CCC1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025581062	0	33	-1.0	-46.25	317.44	3.87	-42.38
CC1=NN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(C2=CC=CC=C2)=C1	REAL300025581063	0	47	-1.0	-48.48	397.42	6.37	-42.11
CCC1=C(C2=CC=CC=C2)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581064	0	40	-1.0	-44.70	354.79	5.58	-39.12
O=C(CCCC1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025581065	0	36	-1.0	-48.75	321.46	3.86	-44.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C(=O)NC2=C(F)C=CC=C2F)CC1	REAL300025581066	0	38	-1.0	-47.78	345.20	2.43	-45.35
CC(C)(C)OC(=O)N1CCCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581067	0	50	-1.0	-57.28	390.65	3.14	-54.14
CC(C)(C)OC(=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025581068	0	47	-1.0	-47.68	378.00	2.89	-44.79
CC(C)(C)OC(=O)NCC1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581069	0	50	-1.0	-55.90	392.98	1.46	-54.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025581070	0	43	-1.0	-47.38	347.47	1.60	-45.78
CC(CC1=CC=C(C#N)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581071	0	37	-1.0	-46.80	325.58	3.90	-42.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(=O)C2=CC=CC=C21	REAL300025581072	0	35	-1.0	-45.82	306.19	3.44	-42.38
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581073	0	51	-1.0	-54.56	400.49	3.62	-50.94
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581074	0	50	-1.0	-60.90	410.21	2.68	-58.22
CC(C)(C)OC(=O)CCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581075	0	44	-1.0	-47.11	361.29	3.62	-43.49
O=C(CCC(=O)NC1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025581076	0	37	-1.0	-49.75	339.88	1.52	-48.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2CC2)=C1	REAL300025581077	0	33	-1.0	-43.12	305.13	2.23	-40.89
CS(=O)(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581078	0	41	-1.0	-54.15	342.65	-1.08	-55.23
COC1=CC=C2CCCC(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025581079	0	41	-1.0	-48.58	334.49	3.32	-45.26
COC1=CN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025581080	0	34	-1.0	-48.87	300.16	0.52	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Br)C=C2)N=C1	REAL300025581081	0	33	-1.0	-42.39	323.57	1.78	-40.61
CC1(C)CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025581082	0	38	-1.0	-53.45	319.75	3.68	-49.77
CN1C=CN=C1[C@@H]1[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CCC(=O)N1C1CC1	REAL300025581083	0	48	-1.0	-47.32	384.36	2.44	-44.88
CN1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025581084	0	39	-1.0	-47.48	315.88	2.22	-45.26
CN(C)C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025581085	0	34	-1.0	-44.12	311.30	0.77	-43.35
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581086	0	40	-1.0	-45.09	344.70	3.28	-41.81
CN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025581087	0	38	-1.0	-45.83	335.76	1.75	-44.08
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025581087	1	39	0.0	-63.21	334.96	3.96	-59.25
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025581088	0	42	-1.0	-43.72	339.35	3.33	-40.39
CCN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025581089	0	37	-1.0	-50.37	323.08	1.35	-49.02
CSC1=CC(Br)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581090	0	31	-1.0	-46.17	300.30	3.15	-43.02
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1Br	REAL300025581091	0	34	-1.0	-45.34	311.43	3.04	-42.30
CC1=CC=C(C2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C=C1C	REAL300025581092	0	39	-1.0	-45.75	348.47	3.65	-42.10
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025581093	0	36	-1.0	-47.03	328.93	2.13	-44.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1	REAL300025581094	0	36	-1.0	-42.65	325.35	1.80	-40.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL300025581095	0	37	-1.0	-50.51	305.83	3.08	-47.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C=C1F	REAL300025581096	0	30	-1.0	-53.57	282.00	2.54	-51.03
O=C(CC1OCC2=CC(Cl)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581097	0	35	-1.0	-47.90	319.14	2.70	-45.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)(F)F)O1	REAL300025581098	0	31	-1.0	-43.31	301.94	1.37	-41.94
CC1=CC=C(S(=O)(=O)C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025581099	0	46	-1.0	-45.53	384.52	2.76	-42.77
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCCC1	REAL300025581100	0	43	-1.0	-47.90	356.80	5.43	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=C2)=CC=C1O	REAL300025581101	0	35	-1.0	-50.52	308.04	2.47	-48.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Br)=N1	REAL300025581102	0	23	-1.0	-43.01	252.27	-0.87	-43.88
NC1=C(Cl)C(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025581103	0	29	-1.0	-43.06	288.71	0.63	-42.43
CC(C)(C)OC(=O)N1C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1C1CC1	REAL300025581104	0	51	-1.0	-53.64	402.98	4.24	-49.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl	REAL300025581105	0	29	-1.0	-45.41	307.42	3.45	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(N2CCCCC2)=N1	REAL300025581106	0	38	-1.0	-43.88	328.50	1.03	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(C2=CC=CC(O)=C2)=C1	REAL300025581107	0	34	-1.0	-44.62	312.96	-0.29	-44.91
NS(=O)(=O)C1=CC=C(NCC(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025581108	0	37	-1.0	-54.90	340.45	-4.44	-59.34
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025581109	0	46	0.0	-67.92	381.03	2.65	-65.27
CCC(CC)(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581110	0	47	-1.0	-53.23	368.21	4.56	-48.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)N=C1	REAL300025581111	0	35	-1.0	-47.61	312.55	1.90	-45.71
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CCC1	REAL300025581112	0	46	-1.0	-43.34	365.59	4.11	-39.23
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300025581113	0	38	-1.0	-48.67	340.32	3.03	-45.64
COC1=CC=C(C([NH2+]C(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581114	0	46	0.0	-62.03	370.00	2.04	-59.99
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300025581115	0	36	-1.0	-48.37	331.67	3.31	-45.06
CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581116	0	49	-1.0	-50.13	401.70	3.83	-46.30
O=C(CC(N1C=CN=C1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025581117	0	33	-1.0	-48.16	302.34	2.50	-45.66
CN1CCCC1C1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581118	0	39	-1.0	-44.33	321.49	-1.75	-46.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=NC=N2)=N1	REAL300025581119	0	32	-1.0	-45.74	296.02	3.46	-42.28
CS(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025581120	0	30	-1.0	-56.63	289.96	-2.88	-59.51
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSC[C@H]1C1=CC=CC=C1	REAL300025581121	0	38	-1.0	-47.59	326.82	4.39	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Cl)C=C12	REAL300025581122	0	30	-1.0	-51.36	288.72	2.39	-48.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC=C1	REAL300025581123	0	33	-1.0	-52.59	289.13	-0.84	-53.43
COC1=CC=CC(N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)OC(C)(C)C)=C1	REAL300025581124	0	51	-1.0	-53.26	422.61	3.95	-49.31
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581125	0	41	-1.0	-45.53	348.91	2.42	-43.11
O=C(N[C@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1)OCC1=CC=CC=C1	REAL300025581126	0	45	-1.0	-48.34	387.52	2.23	-46.11
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025581127	0	32	-1.0	-52.21	295.01	2.62	-49.59
CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581128	0	46	-1.0	-47.50	367.63	0.55	-46.95
CC(COCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025581129	0	40	-1.0	-49.03	340.72	3.91	-45.12
O=C(COCCC1=CC=CC(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581130	0	37	-1.0	-49.63	330.31	3.45	-46.18
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581131	0	50	-1.0	-46.10	397.21	1.67	-44.43
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581132	0	47	-1.0	-46.08	374.00	1.45	-44.63
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2=CC=C(Br)C=C21	REAL300025581133	0	35	-1.0	-46.92	317.59	2.72	-44.20
CNC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025581134	0	36	-1.0	-56.96	326.93	-0.44	-57.40
O=C(CN1N=C2CCCCN2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025581135	0	37	-1.0	-57.91	318.44	1.59	-56.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CC=NC=C21	REAL300025581136	0	32	-1.0	-47.12	286.25	2.05	-45.07
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300025581137	0	40	-1.0	-49.76	362.43	4.12	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C(=O)NC=C2	REAL300025581138	0	30	-1.0	-50.32	287.68	-0.11	-50.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Cl)N=C1	REAL300025581139	0	35	-1.0	-46.52	324.74	3.80	-42.72
CC1=NN=NN1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581140	0	35	-1.0	-52.38	310.60	1.57	-50.81
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581141	0	42	-1.0	-49.66	373.46	5.21	-44.45
CC1=NN(CC2CC2)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581142	0	43	-1.0	-51.23	362.25	3.39	-47.84
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581143	0	48	-1.0	-53.07	391.65	5.28	-47.79
O=C(CCCC1=CC=C2CCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025581144	0	46	-1.0	-48.07	373.53	6.30	-41.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OCCCO2	REAL300025581145	0	36	-1.0	-51.97	304.04	2.56	-49.41
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CCCCC1	REAL300025581146	0	38	-1.0	-43.36	309.72	1.47	-41.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2Cl)CCC1	REAL300025581147	0	37	-1.0	-47.48	321.86	4.08	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=NSC=C1Br	REAL300025581148	0	23	-1.0	-44.94	247.21	-0.36	-45.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC(Cl)=CN2C=N1	REAL300025581149	0	30	-1.0	-48.24	288.28	3.33	-44.91
CCC(CC)(COCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581150	0	49	-1.0	-44.84	391.59	4.69	-40.15
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581151	0	52	0.0	-67.00	403.47	1.02	-65.98
COC1=CC=C(CN2N=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C)C=C1	REAL300025581152	0	43	-1.0	-47.51	371.12	1.52	-45.99
N#CC1=CC(Br)=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581153	0	31	-1.0	-48.98	307.97	3.06	-45.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(CC2=C(Cl)C=CC=C2Cl)S1	REAL300025581154	0	36	-1.0	-44.95	360.69	3.97	-40.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300025581155	0	33	-1.0	-44.41	326.83	2.96	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300025581156	0	33	-1.0	-48.90	318.27	2.69	-46.21
CC(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025581157	0	37	-1.0	-45.15	332.95	3.07	-42.08
O=C(CC1C2CC3CC(C2)CC1C3)NCCC1=NC(=O)O[N-]1	REAL300025581158	0	44	-1.0	-45.79	321.72	3.97	-41.82
O=C(CC1(CN2C=NN=N2)CCCCC1)NCCC1=NC(=O)O[N-]1	REAL300025581159	0	44	-1.0	-47.76	340.13	3.13	-44.63
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581160	0	41	-1.0	-51.70	344.73	-0.26	-51.96
CC1=CC=CC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2C)=C1	REAL300025581161	0	41	-1.0	-46.34	342.56	4.84	-41.50
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NC=C1	REAL300025581162	0	37	-1.0	-47.26	316.28	0.65	-46.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CNC2=O)=C1	REAL300025581163	0	35	-1.0	-51.22	306.56	1.68	-49.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2C=CNC2=O)C=C1	REAL300025581164	0	35	-1.0	-57.62	306.39	1.69	-55.93
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581165	0	43	-1.0	-52.81	365.93	0.01	-52.80
O=C(CC1=CC=C2OC(F)(F)OC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025581166	0	33	-1.0	-49.64	307.54	1.32	-48.32
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581167	0	45	-1.0	-52.32	360.35	3.83	-48.49
COC1=CC=CC=C1CN1C=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025581168	0	47	-1.0	-55.07	400.71	6.09	-48.98
O=C(CC12CCCCC1C2(F)F)NCCC1=NC(=O)O[N-]1	REAL300025581169	0	37	-1.0	-42.91	305.60	2.99	-39.92
CC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025581170	0	33	-1.0	-43.07	297.52	3.37	-39.70
COC1=CC=C([C@@H]2C[C@H]2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581171	0	41	-1.0	-49.13	345.75	3.65	-45.48
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581172	0	44	-1.0	-49.65	379.20	5.50	-44.15
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(Cl)=CC=CN2N=C1	REAL300025581173	0	30	-1.0	-52.02	280.82	1.78	-50.24
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025581174	0	30	-1.0	-44.29	285.09	2.84	-41.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300025581175	0	29	-1.0	-47.31	294.17	1.48	-45.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=NC=C12	REAL300025581176	0	32	-1.0	-48.10	285.51	2.03	-46.07
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300025581177	0	30	-1.0	-45.30	307.42	2.71	-42.59
O=C(CCC1=CSC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025581178	0	30	-1.0	-44.96	298.70	2.50	-42.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(N2CCCC2)=C1	REAL300025581179	0	39	-1.0	-44.23	342.41	2.66	-41.57
O=C(CC(N1C=CC=N1)C(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025581180	0	33	-1.0	-49.28	300.52	1.25	-48.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300025581181	0	33	-1.0	-51.17	323.74	-0.33	-51.50
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N=C2C=CSC2=C1	REAL300025581182	0	29	-1.0	-48.30	287.62	1.42	-46.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N(C2=CC=CC(F)=C2)C1	REAL300025581183	0	41	-1.0	-50.00	352.73	3.32	-46.68
COC(=O)C1=CC=C2CCCC(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025581184	0	46	-1.0	-48.49	376.98	5.10	-43.39
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CC1	REAL300025581185	0	43	-1.0	-44.60	348.56	3.78	-40.82
CC(C)(C)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025581186	0	47	-1.0	-51.24	361.91	5.18	-46.06
CC(C)(C)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025581187	0	42	-1.0	-51.09	343.07	4.33	-46.76
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025581188	0	49	-1.0	-44.00	378.14	4.49	-39.51
CC(C)(C)OC(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581189	0	48	-1.0	-53.60	372.11	4.31	-49.29
CN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025581190	0	38	-1.0	-50.42	323.29	4.42	-46.00
CC(C)[C@H](NCC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581191	0	37	-1.0	-46.36	318.50	0.03	-46.33
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCOCC1	REAL300025581192	0	45	-1.0	-47.34	352.92	2.73	-44.61
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(NCC(F)(F)F)=N1	REAL300025581193	0	37	-1.0	-45.44	335.91	1.30	-44.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300025581194	0	33	-1.0	-41.99	308.37	2.60	-39.39
CC(C)(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025581195	0	36	-1.0	-46.24	318.57	1.51	-44.73
CC(C)(C)OC(=O)N1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025581196	0	48	-1.0	-47.51	402.15	3.90	-43.61
C[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025581197	0	43	-1.0	-47.36	347.47	1.60	-45.76
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025581198	0	45	-1.0	-47.20	387.03	3.01	-44.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300025581199	0	30	-1.0	-54.14	282.20	1.25	-52.89
CN(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C(F)(F)F)=C1	REAL300025581200	0	38	-1.0	-44.14	333.84	2.94	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300025581201	0	31	-1.0	-45.49	299.67	3.00	-42.49
CC(C)N(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581202	0	46	-1.0	-51.64	366.75	2.86	-48.78
NC(=O)N=NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581203	0	33	-1.0	-50.70	304.43	-3.27	-53.97
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1Br	REAL300025581204	0	34	-1.0	-44.78	315.80	2.63	-42.15
COC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581205	0	34	-1.0	-44.64	304.79	1.72	-42.92
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C2=CC=CC=C2)=NO1	REAL300025581206	0	38	-1.0	-44.93	330.77	2.43	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL300025581207	0	32	-1.0	-45.76	298.48	-1.79	-47.55
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581208	0	37	-1.0	-49.40	343.46	1.52	-47.88
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581209	0	46	-1.0	-55.76	384.06	4.43	-51.33
COCCCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025581210	0	39	-1.0	-45.01	342.78	-0.61	-45.62
CC(C)(C)N1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581211	0	36	-1.0	-47.09	327.79	1.96	-45.13
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@@H]1N1CCCC1=O	REAL300025581212	0	44	-1.0	-50.86	334.12	2.73	-48.13
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1	REAL300025581213	0	37	-1.0	-46.04	337.08	1.29	-44.75
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581214	0	55	-1.0	-46.84	421.74	2.45	-44.39
CN1C(=O)C(C)(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025581215	0	41	-1.0	-48.71	347.28	3.01	-45.70
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581216	0	46	-1.0	-51.49	383.99	4.45	-47.04
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581217	0	51	-1.0	-57.56	400.59	3.83	-53.73
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(F)(F)F	REAL300025581218	0	34	-1.0	-45.62	310.19	1.92	-43.70
CNC1=CC=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581219	0	35	-1.0	-43.02	312.01	1.71	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Br)=C2)=NO1	REAL300025581220	0	33	-1.0	-42.10	323.27	3.14	-38.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NO1	REAL300025581221	0	33	-1.0	-41.57	323.26	3.15	-38.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300025581222	0	30	-1.0	-43.75	299.10	3.45	-40.30
COC1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581223	0	38	-1.0	-47.51	325.34	2.87	-44.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300025581224	0	36	-1.0	-49.46	322.63	3.18	-46.28
O=C(CC1=CC=C(C2CCCCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581225	0	46	-1.0	-46.73	369.79	6.03	-40.70
CN(C)C(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581226	0	43	-1.0	-50.76	339.59	1.62	-49.14
CC1=C(Br)C=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581227	0	29	-1.0	-42.94	272.71	0.96	-41.98
CC(C)[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025581228	0	44	-1.0	-62.32	362.70	5.76	-56.56
COC1=CC=C(OC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581229	0	41	-1.0	-48.66	333.24	2.24	-46.42
CC(C)CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025581230	0	42	-1.0	-45.18	359.18	5.28	-39.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1	REAL300025581231	0	37	-1.0	-51.95	341.88	1.75	-50.20
CC(C)N1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025581232	0	40	-1.0	-50.01	337.87	1.79	-48.22
O=C(CC1=C(Cl)C=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025581233	0	30	-1.0	-45.68	300.06	3.14	-42.54
COC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025581234	0	34	-1.0	-49.75	310.96	1.99	-47.76
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CCCCC1	REAL300025581235	0	36	-1.0	-42.33	294.86	2.58	-39.75
CC(C)(OC1=CC=C(Br)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581236	0	37	-1.0	-46.98	324.70	3.60	-43.38
CCC(C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025581237	0	46	-1.0	-47.21	366.51	2.70	-44.51
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N=C2CCCCN21	REAL300025581238	0	37	-1.0	-47.93	330.04	2.41	-45.52
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581239	0	47	-1.0	-56.02	377.05	2.30	-53.72
O=C(CC1=CC=C(Br)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025581240	0	30	-1.0	-47.40	294.68	2.88	-44.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300025581241	0	33	-1.0	-54.81	300.24	1.53	-53.28
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=NN=N2)CCOCC1	REAL300025581242	0	36	-1.0	-50.17	298.98	-0.98	-51.15
CC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025581243	0	42	-1.0	-49.09	353.00	4.15	-44.94
CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581244	0	52	-1.0	-57.36	396.94	2.79	-54.57
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581245	0	46	0.0	-72.21	351.42	2.10	-70.11
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581245	1	46	0.0	-77.29	359.89	2.33	-74.96
CC(C)[N@@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025581246	0	52	0.0	-68.16	386.13	3.22	-64.94
CC(C)[N@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025581246	1	52	0.0	-74.57	394.69	3.44	-71.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(Cl)=C1Cl	REAL300025581247	0	26	-1.0	-45.00	266.41	0.72	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300025581248	0	30	-1.0	-51.66	284.47	-0.25	-51.91
CC(=O)NC1=CNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581249	0	34	-1.0	-63.51	304.74	-2.34	-65.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300025581250	0	30	-2.0	-79.02	286.46	-1.81	-80.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300025581250	1	30	-2.0	-78.98	286.53	-1.80	-80.78
CN1C=CC(NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=N1	REAL300025581251	0	39	-1.0	-50.78	338.19	3.04	-47.74
O=C(CC1CCN(CC(F)(F)F)CC1)NCCC1=NC(=O)O[N-]1	REAL300025581252	0	41	-1.0	-45.20	339.66	1.28	-43.92
O=C(CCC1CCC(C2OCCO2)O1)NCCC1=NC(=O)O[N-]1	REAL300025581253	0	43	-1.0	-48.21	353.93	0.62	-47.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=NN1	REAL300025581254	0	27	-1.0	-45.77	276.74	-0.63	-46.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300025581255	0	36	-1.0	-51.14	315.10	2.72	-48.42
NC1=NN=NN1C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581256	0	34	-1.0	-58.08	304.36	1.44	-56.64
CC1=CC=NC(NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025581257	0	40	-1.0	-53.12	346.83	4.70	-48.42
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300025581258	0	30	-1.0	-40.64	298.82	2.94	-37.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300025581259	0	33	-1.0	-52.51	310.30	3.69	-48.82
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300025581260	0	41	-1.0	-50.19	352.11	3.20	-46.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300025581261	0	33	-1.0	-45.74	301.46	4.31	-41.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300025581262	0	41	-1.0	-50.17	354.65	2.29	-47.88
NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=N1	REAL300025581263	0	28	-1.0	-43.72	275.12	-0.96	-44.68
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581264	0	41	-1.0	-48.70	355.75	5.61	-43.09
COC1=CC(OC)=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025581265	0	41	-1.0	-54.88	349.09	1.38	-53.50
COC1=CC(OC)=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025581265	1	40	-2.0	-89.17	345.85	0.94	-88.23
O=C(CC1NC(=O)C2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581266	0	35	-1.0	-52.75	307.60	0.00	-52.75
CS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581267	0	38	-1.0	-50.77	323.32	-1.79	-52.56
COC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025581268	0	38	-1.0	-52.77	336.44	1.71	-51.06
CC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025581269	0	33	-1.0	-46.92	304.34	3.29	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300025581270	0	42	-1.0	-50.72	350.28	1.07	-49.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300025581271	0	36	-1.0	-54.40	320.93	1.96	-52.44
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC(F)(F)CC1	REAL300025581272	0	39	-1.0	-45.66	309.28	2.73	-42.93
CN1N=CC(C(F)(F)F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581273	0	30	-1.0	-44.13	289.49	0.20	-43.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300025581274	0	39	-1.0	-47.17	310.82	2.95	-44.22
CC(C)(C)OC(=O)N1CCC(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581275	0	51	-1.0	-53.57	413.95	1.65	-51.92
CC(C)(C)OC(=O)N1CCC(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN2)C1	REAL300025581275	1	51	-1.0	-50.57	413.84	1.62	-48.95
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025581276	0	52	-1.0	-48.81	417.05	1.95	-46.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300025581277	0	30	-1.0	-44.74	294.86	3.06	-41.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(Br)=CS1	REAL300025581278	0	24	-1.0	-45.55	273.14	1.75	-43.80
CCCCCCCCCCCCC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581279	0	62	-1.0	-45.41	475.56	8.76	-36.65
CCN1C(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025581280	0	37	-1.0	-51.25	323.04	1.35	-49.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300025581281	0	38	-1.0	-50.33	328.07	2.01	-48.32
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCN(C(=O)OCC1=CC=CC=C1)C2	REAL300025581282	0	49	-1.0	-48.71	413.84	4.95	-43.76
CC(C)(C)OC(=O)N1CCCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581283	0	50	-1.0	-51.37	387.29	3.54	-47.83
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581284	0	50	-1.0	-46.61	407.13	0.09	-46.52
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025581285	0	47	-1.0	-50.14	401.31	3.00	-47.14
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025581286	0	46	-1.0	-51.34	392.46	-1.51	-52.85
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581287	0	51	-1.0	-48.05	408.36	5.04	-43.01
CN1C(=O)CO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CN=C1	REAL300025581288	0	41	-1.0	-46.15	340.32	0.85	-45.30
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1(C)C	REAL300025581289	0	45	-1.0	-42.29	354.34	4.04	-38.25
CC(C)(C)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025581290	0	48	-1.0	-48.82	378.29	4.31	-44.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CNC1=O	REAL300025581291	0	27	-1.0	-51.02	266.78	-0.63	-51.65
O=C(CC1=CC=C(N2C=CN=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581292	0	37	-1.0	-50.70	323.89	4.60	-46.10
COC1=CC=C(CN2CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581293	0	43	-1.0	-51.37	361.59	0.31	-51.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCOCC2)=NC=N1	REAL300025581294	0	38	-1.0	-43.61	322.73	-0.40	-44.01
O=C(NCCC1=NC(=O)O[N-]1)C1=C(O)C2=CC(O)=CC=C2C=C1	REAL300025581295	0	35	-1.0	-51.27	308.16	-0.44	-51.71
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025581295	1	34	-2.0	-110.80	304.60	0.56	-110.24
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581296	0	42	0.0	-65.99	342.64	4.39	-61.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581296	1	42	0.0	-66.01	342.64	4.39	-61.62
CN(CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581296	1	41	-1.0	-46.35	340.80	2.13	-44.22
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1	REAL300025581297	0	38	-1.0	-58.39	344.30	2.27	-56.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300025581298	0	36	-1.0	-46.29	320.85	4.19	-42.10
CC1=C(S(C)(=O)=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025581299	0	33	-1.0	-54.88	308.37	-2.15	-57.03
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=C(Cl)C=CC=C3C21	REAL300025581300	0	35	-1.0	-44.15	318.54	4.60	-39.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300025581301	0	34	-1.0	-50.51	325.27	4.44	-46.07
CC1=CC=C2OC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025581302	0	36	-1.0	-51.01	317.24	3.25	-47.76
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025581303	0	39	-1.0	-44.69	341.66	4.72	-39.97
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300025581304	0	41	-1.0	-53.77	351.30	3.96	-49.81
O=C(CCC(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025581305	0	35	-1.0	-49.04	316.81	2.89	-46.15
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025581306	0	43	-1.0	-54.12	362.65	2.35	-51.77
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581307	0	48	-1.0	-58.29	383.53	0.76	-57.53
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2CCCCC21	REAL300025581308	0	41	-1.0	-49.47	326.15	0.15	-49.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSN=N2)C=C1	REAL300025581309	0	32	-1.0	-52.15	300.21	1.59	-50.56
CCSC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025581310	0	37	-1.0	-46.96	347.26	4.54	-42.42
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C2CC1	REAL300025581311	0	40	-1.0	-46.91	321.01	4.45	-42.46
CC1=CC=C(COC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581312	0	40	-1.0	-50.52	343.60	3.98	-46.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2S1	REAL300025581313	0	30	-1.0	-43.55	303.66	3.56	-39.99
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581314	0	51	-1.0	-51.48	403.36	4.73	-46.75
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581315	0	44	-1.0	-46.75	363.58	0.79	-45.96
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581316	0	50	-1.0	-57.32	390.62	3.13	-54.19
CC(C)(C)OC(=O)NC1=NN(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581317	0	50	-1.0	-55.98	404.07	2.04	-53.94
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581318	0	40	-1.0	-47.39	342.46	3.96	-43.43
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025581319	0	40	-1.0	-46.40	355.22	5.99	-40.41
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300025581320	0	31	-1.0	-45.98	308.24	3.26	-42.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300025581321	0	35	-1.0	-48.18	317.17	2.71	-45.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300025581322	0	31	-1.0	-42.56	305.21	1.90	-40.66
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025581323	0	31	-1.0	-45.33	293.18	1.50	-43.83
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025581324	0	34	-1.0	-43.76	309.25	2.08	-41.68
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC(F)=CC=C2C1	REAL300025581325	0	35	-1.0	-44.17	304.21	2.14	-42.03
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(S(C)(=O)=O)O1	REAL300025581326	0	33	-1.0	-52.26	308.24	-2.08	-54.34
CC1=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025581327	0	44	-1.0	-50.72	391.59	3.61	-47.11
CC1=CC=CC=C1COC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581328	0	40	-1.0	-51.00	337.56	4.05	-46.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300025581329	0	27	-1.0	-46.33	275.19	1.64	-44.69
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300025581330	0	40	-1.0	-46.79	327.61	4.56	-42.23
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1CCOCC1	REAL300025581331	0	41	-1.0	-49.09	342.87	0.84	-48.25
CN1C=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C=N1	REAL300025581332	0	38	-1.0	-50.36	328.84	0.30	-50.06
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581333	0	34	-1.0	-50.54	326.24	3.77	-46.77
COC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025581334	0	37	-1.0	-46.52	336.03	2.80	-43.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300025581335	0	36	-1.0	-52.35	320.94	1.95	-50.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300025581336	0	33	-1.0	-44.01	320.97	3.93	-40.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1	REAL300025581337	0	41	-1.0	-45.08	370.89	5.11	-39.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=C2COCCN21	REAL300025581338	0	32	-1.0	-48.37	294.17	-0.20	-48.57
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300025581339	0	38	-1.0	-47.87	335.33	2.59	-45.28
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300025581340	0	36	-1.0	-62.68	300.21	0.43	-62.25
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581341	0	33	-2.0	-89.33	312.16	-2.36	-91.69
CS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581341	1	34	-1.0	-52.58	312.23	-2.22	-54.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL300025581342	0	33	-1.0	-49.37	290.15	0.74	-48.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL300025581343	0	30	-1.0	-44.19	298.17	1.78	-42.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300025581344	0	38	-1.0	-44.05	324.04	-0.00	-44.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1	REAL300025581345	0	33	-1.0	-46.18	333.13	2.91	-43.27
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581346	0	44	-1.0	-47.80	360.50	0.34	-47.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1Br)OCO2	REAL300025581347	0	30	-1.0	-45.09	285.57	0.84	-44.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300025581348	0	30	-1.0	-51.57	282.00	2.55	-49.02
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300025581349	0	41	-1.0	-51.54	340.97	2.39	-49.15
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(SCC2=CC=CC=C2)=N1	REAL300025581350	0	40	-1.0	-43.35	372.60	4.42	-38.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300025581351	0	34	-1.0	-50.09	310.69	2.65	-47.44
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300025581352	0	29	-1.0	-46.48	289.97	1.55	-44.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025581353	0	49	0.0	-70.94	412.17	5.08	-65.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025581353	1	49	0.0	-76.00	411.87	5.14	-70.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025581354	0	52	0.0	-79.65	421.47	6.10	-73.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025581354	1	52	0.0	-78.44	420.20	6.21	-72.23
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581355	0	55	0.0	-72.26	426.79	7.09	-65.17
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581355	1	55	0.0	-73.62	427.27	6.97	-66.65
COC1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025581356	0	42	-1.0	-48.98	358.81	0.03	-48.95
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025581357	0	37	-1.0	-47.83	325.36	1.48	-46.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300025581358	0	43	-1.0	-47.06	366.03	5.15	-41.91
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025581359	0	52	0.0	-81.57	420.63	6.01	-75.56
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025581359	1	52	0.0	-76.51	420.07	6.11	-70.40
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581360	0	52	0.0	-71.55	409.82	6.56	-64.99
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581360	1	52	0.0	-72.67	410.37	6.46	-66.21
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025581361	0	56	0.0	-74.03	430.83	7.49	-66.54
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025581361	1	56	0.0	-73.18	431.27	7.55	-65.63
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025581362	0	50	0.0	-71.15	417.66	7.04	-64.11
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025581362	1	50	0.0	-69.45	417.59	7.17	-62.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300025581363	0	37	-1.0	-45.16	336.48	1.96	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL300025581364	0	39	-1.0	-48.16	321.13	2.04	-46.12
COC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1OC(C)C	REAL300025581365	0	41	-1.0	-50.59	338.06	3.43	-47.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC=C(Br)N2N=C1	REAL300025581366	0	30	-1.0	-49.07	291.97	1.76	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300025581367	0	37	-1.0	-48.07	336.81	1.88	-46.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300025581368	0	38	-1.0	-51.09	328.01	2.00	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300025581369	0	38	-1.0	-48.59	329.37	2.05	-46.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300025581370	0	33	-1.0	-53.31	311.03	3.05	-50.26
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025581371	0	48	-1.0	-46.70	383.27	2.80	-43.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(F)=C1Cl	REAL300025581372	0	27	-1.0	-47.35	274.93	1.93	-45.42
CC(C)(C)OC(=O)N1CCCC(CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581373	0	53	-1.0	-47.93	413.17	3.85	-44.08
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581374	0	52	-1.0	-43.97	406.08	1.82	-42.15
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300025581375	0	51	-1.0	-58.56	403.40	2.76	-55.80
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025581376	0	43	-1.0	-53.18	353.78	0.27	-52.91
CC(C)(C)OC(=O)NC1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581377	0	45	-1.0	-48.24	369.97	0.95	-47.29
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CO2)=N1	REAL300025581378	0	34	-1.0	-55.90	306.95	2.08	-53.82
COC1=CC=CC(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581379	0	51	-1.0	-45.40	420.71	1.87	-43.53
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581380	0	51	-1.0	-49.08	406.53	1.82	-47.26
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC1	REAL300025581381	0	47	-1.0	-46.93	394.08	2.09	-44.84
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581382	0	45	-1.0	-50.16	363.67	2.47	-47.69
CC1=CC=C(C2=NN(C)C=C2C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025581383	0	37	-1.0	-56.78	328.90	2.88	-53.90
CC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC=CC=C1	REAL300025581384	0	44	-1.0	-50.61	375.46	6.25	-44.36
CC1=CC=CC(N2C=NC3=CC(C(=O)NCCC4=NC(=O)O[N-]4)=CC=C32)=C1	REAL300025581385	0	43	-1.0	-52.02	371.28	6.84	-45.18
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025581386	0	35	-1.0	-43.42	319.57	1.01	-42.41
CCCCCCCCC=CCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581387	0	66	-1.0	-45.68	521.48	10.78	-34.90
CC1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025581388	0	40	-1.0	-46.59	334.25	4.77	-41.82
CC(C)(C)OC(=O)NC(CC1=NC=CC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581389	0	48	-1.0	-47.40	387.99	-0.59	-47.99
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F	REAL300025581390	0	38	-1.0	-44.20	335.07	2.90	-41.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)SC=C1	REAL300025581391	0	27	-1.0	-49.69	268.13	1.64	-48.05
CC1=NN(C2CCOCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581392	0	41	-1.0	-44.64	339.73	0.91	-43.73
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581393	0	50	-1.0	-44.31	404.63	3.77	-40.54
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581394	0	46	-1.0	-46.41	368.99	-1.56	-47.97
CO[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025581395	0	49	-1.0	-56.68	417.31	2.83	-53.85
CN1N=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025581396	0	27	-1.0	-45.05	283.20	0.01	-45.04
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1	REAL300025581397	0	36	-1.0	-53.51	329.84	3.30	-50.21
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300025581398	0	43	-1.0	-48.05	351.51	5.45	-42.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300025581399	0	40	-1.0	-45.88	346.69	3.91	-41.97
N#CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025581400	0	30	-2.0	-102.35	294.19	-3.31	-105.66
CO[C@@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300025581401	0	49	-1.0	-51.01	418.94	3.02	-47.99
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCC2)CCNC1=O	REAL300025581402	0	41	-1.0	-50.60	318.42	-0.17	-50.77
CC1(C)CC1(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025581403	0	40	-1.0	-45.73	328.43	4.32	-41.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC=C1C(F)(F)F	REAL300025581404	0	27	-1.0	-50.85	267.81	1.53	-49.32
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025581405	0	39	-1.0	-46.19	343.59	4.64	-41.55
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581406	0	44	-1.0	-48.12	365.71	1.30	-46.82
O=C(CC1=CC=C(Br)C(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581407	0	31	-1.0	-49.40	299.37	0.04	-49.36
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300025581408	0	36	-1.0	-49.10	332.02	1.92	-47.18
COC1=CC=CC(C(OC)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581409	0	38	-1.0	-47.99	329.23	1.69	-46.30
COCCOCCOCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581410	0	44	-1.0	-52.37	374.05	-0.37	-52.74
COC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1OC	REAL300025581411	0	41	-1.0	-49.68	347.75	3.04	-46.64
O=C(CC1(N2C=NN=N2)CCOCC1)NCCC1=NC(=O)O[N-]1	REAL300025581412	0	39	-1.0	-61.87	318.60	0.36	-61.51
C#CCN(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581413	0	42	-1.0	-53.91	357.37	2.71	-51.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1SCC1=CC=CC=C1	REAL300025581414	0	39	-1.0	-48.62	355.15	3.11	-45.51
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025581415	0	44	-1.0	-50.17	362.00	1.55	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)(F)F	REAL300025581416	0	36	-1.0	-45.87	323.62	3.04	-42.83
CCC(NC1=CC=CN=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581417	0	37	-1.0	-50.08	319.26	0.33	-49.75
O=C(NCCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300025581418	0	33	-1.0	-55.92	300.71	-1.83	-57.75
CC(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCOCC2)=N1	REAL300025581419	0	47	-1.0	-49.08	380.63	2.07	-47.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CCO)N=C1C1CCOCC1	REAL300025581420	0	45	-1.0	-49.90	373.41	-1.80	-51.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300025581421	0	36	-1.0	-51.26	321.85	4.62	-46.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300025581422	0	32	-1.0	-45.88	304.14	-1.97	-47.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1I	REAL300025581423	0	24	-1.0	-49.86	250.13	-1.13	-50.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=CN=C2C(Br)=C1	REAL300025581424	0	30	-1.0	-45.54	290.94	2.67	-42.87
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)=NO2	REAL300025581425	0	46	-1.0	-44.47	387.41	0.26	-44.21
CN1N=C(I)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581426	0	27	-1.0	-42.37	272.06	0.17	-42.20
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581427	0	50	-1.0	-49.72	394.73	1.60	-48.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300025581428	0	37	-1.0	-50.74	346.61	2.37	-48.37
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2CCCCN21	REAL300025581429	0	37	-1.0	-49.27	325.85	2.40	-46.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL300025581430	0	29	-1.0	-44.08	286.18	0.61	-43.47
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NCCC1=NC(=O)O[N-]1	REAL300025581431	0	41	-1.0	-56.19	358.15	0.61	-55.58
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581432	0	37	-1.0	-47.72	337.37	4.60	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300025581433	0	40	-1.0	-45.48	351.79	3.09	-42.39
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581434	0	39	-1.0	-44.20	346.70	1.16	-43.04
CC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)=CS1	REAL300025581435	0	33	-1.0	-46.26	323.30	2.09	-44.17
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NCCC1=NC(=O)O[N-]1	REAL300025581436	0	43	-1.0	-50.33	372.88	3.78	-46.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300025581437	0	41	-1.0	-51.68	346.32	4.31	-47.37
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025581438	0	39	-1.0	-54.27	334.27	-1.85	-56.12
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300025581439	0	39	-1.0	-47.95	334.68	3.61	-44.34
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300025581440	0	39	-1.0	-48.10	338.93	4.49	-43.61
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=N1	REAL300025581441	0	38	-1.0	-57.52	334.15	3.10	-54.42
COC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581442	0	49	-1.0	-52.61	408.81	2.97	-49.64
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1	REAL300025581443	0	48	-1.0	-48.35	394.64	4.40	-43.95
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581444	0	48	-1.0	-46.36	393.00	5.81	-40.55
COC1=CC=CC=C1NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581445	0	43	-1.0	-47.78	361.65	3.27	-44.51
COC1=CC=C(NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C(OC)=C1	REAL300025581446	0	47	-1.0	-48.06	391.08	2.54	-45.52
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581447	0	51	-1.0	-46.50	402.37	6.77	-39.73
COC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025581448	0	37	-1.0	-44.82	331.51	1.83	-42.99
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2CCOCC2)C=C1	REAL300025581449	0	38	-1.0	-46.91	321.33	0.16	-46.75
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCC1=NC(=O)O[N-]1)OC2=O	REAL300025581450	0	40	-1.0	-44.90	320.88	1.92	-42.98
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=C(Br)C=CC=C3C21	REAL300025581451	0	35	-1.0	-44.09	322.94	4.69	-39.40
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)O1	REAL300025581452	0	37	-1.0	-45.26	324.33	4.08	-41.18
O=C(NCCC1=NC(=O)O[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL300025581453	0	35	-1.0	-56.57	303.42	-0.10	-56.67
CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025581454	0	33	-1.0	-56.75	309.76	1.25	-55.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300025581455	0	37	-1.0	-57.56	315.94	0.86	-56.70
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581456	0	48	-1.0	-59.17	404.53	4.76	-54.41
CC1=NOC(COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025581457	0	38	-1.0	-47.95	343.76	-2.16	-50.11
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1CCCOC1	REAL300025581458	0	45	-1.0	-47.74	353.12	2.75	-44.99
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(F)C=C1	REAL300025581459	0	34	-1.0	-44.73	304.25	2.17	-42.56
O=C(NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1)OCC1=CC=CC=C1	REAL300025581460	0	51	-1.0	-47.68	421.17	3.59	-44.09
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1CC1CCCOC1	REAL300025581461	0	48	-1.0	-49.95	374.96	3.56	-46.39
CC1=CC(C)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025581462	0	36	-1.0	-44.46	322.25	3.54	-40.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1COCC1=CC=CC=C1	REAL300025581463	0	44	-1.0	-47.04	372.94	5.48	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1OC(F)(F)F	REAL300025581464	0	31	-1.0	-52.20	293.90	2.65	-49.55
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)NC(C2CC2)=C1	REAL300025581465	0	39	-1.0	-47.36	331.08	3.67	-43.69
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581466	0	45	-1.0	-48.15	367.28	-0.05	-48.20
CC(C)(C)OC(=O)NC1CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025581467	0	51	-1.0	-49.21	414.19	3.31	-45.90
CC(C)(C)OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581468	0	39	-1.0	-43.45	326.72	1.93	-41.52
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025581469	0	43	-1.0	-49.15	376.91	-0.32	-49.47
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCSCC1	REAL300025581470	0	46	-1.0	-43.09	367.44	4.22	-38.87
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1	REAL300025581471	0	37	-1.0	-47.65	319.74	3.55	-44.10
N#CC1=CC=C(COCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581472	0	35	-1.0	-52.55	323.26	3.00	-49.55
COC1=CC(COCC(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025581473	0	37	-1.0	-53.53	329.50	-0.68	-54.21
COC1=CC=C(COCC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581474	0	37	-1.0	-53.25	329.45	-0.70	-53.95
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCOC2)=N1	REAL300025581475	0	37	-1.0	-44.38	325.35	0.12	-44.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=C(Br)C=NC=C2C=C1	REAL300025581476	0	31	-1.0	-46.12	302.27	0.91	-45.21
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300025581477	0	40	-1.0	-46.32	355.29	3.03	-43.29
O=C(CC1=CC(Cl)=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581478	0	30	-1.0	-46.51	301.39	3.23	-43.28
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1	REAL300025581479	0	36	-1.0	-45.66	336.23	3.34	-42.32
CSC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025581480	0	32	-1.0	-45.48	310.66	3.01	-42.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=C2Br)S1	REAL300025581481	0	33	-1.0	-47.24	326.13	3.57	-43.67
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1CC1=CC=C(Cl)C=C1	REAL300025581482	0	42	-1.0	-44.40	357.50	2.40	-42.00
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581483	0	43	-1.0	-49.43	361.43	1.47	-47.96
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C2=CC=CC=C2O1	REAL300025581484	0	30	-1.0	-44.61	293.04	2.56	-42.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCCC2)=N1	REAL300025581485	0	37	-1.0	-42.89	314.90	-0.49	-43.38
CN1C=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581486	0	27	-1.0	-47.27	274.06	0.43	-46.84
CC1=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NN2C(C(F)(F)F)=C1	REAL300025581487	0	35	-1.0	-48.86	330.39	1.82	-47.04
O=C(COC1=CC=C(Br)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025581488	0	30	-1.0	-46.71	295.67	0.13	-46.58
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN2C=C(C(F)(F)F)N=C12	REAL300025581489	0	37	-1.0	-50.03	327.47	2.89	-47.14
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581490	0	36	-1.0	-48.29	327.29	4.85	-43.44
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1N1CCOCC1	REAL300025581491	0	43	-1.0	-49.05	351.01	1.74	-47.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1F	REAL300025581492	0	27	-1.0	-46.15	280.76	2.61	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CC(C(F)(F)F)=N2)=C1	REAL300025581493	0	40	-1.0	-50.75	365.11	5.10	-45.65
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=C1	REAL300025581494	0	34	-1.0	-45.51	311.85	2.25	-43.26
COC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=COC2=C1C	REAL300025581495	0	40	-1.0	-51.78	345.23	2.62	-49.16
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581496	0	41	-1.0	-45.06	348.48	5.11	-39.95
CC1(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C2NC1=O	REAL300025581497	0	36	-1.0	-48.33	314.97	-0.59	-48.92
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025581498	0	40	-1.0	-56.21	363.24	2.68	-53.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NC2=C(Cl)C=CC=C12	REAL300025581499	0	35	-1.0	-46.14	313.15	3.09	-43.05
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CN(C)N=C1	REAL300025581500	0	40	-1.0	-49.65	342.19	3.33	-46.32
CC(C)(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=N1	REAL300025581501	0	38	-1.0	-42.74	334.62	2.80	-39.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1F	REAL300025581502	0	26	-1.0	-47.00	264.19	0.33	-46.67
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581503	0	47	-1.0	-47.76	380.53	2.34	-45.42
CC1CN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025581504	0	46	-1.0	-46.78	369.47	1.85	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300025581505	0	29	-1.0	-38.74	297.31	2.40	-36.34
CC1(C)CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)C1	REAL300025581506	0	49	-1.0	-46.25	376.28	6.03	-40.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1	REAL300025581507	0	39	-1.0	-52.70	348.35	2.87	-49.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL300025581507	1	39	-1.0	-52.05	341.54	2.56	-49.49
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581508	0	35	-1.0	-48.87	316.89	3.19	-45.68
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581509	0	53	-1.0	-48.51	432.27	4.26	-44.25
CN1C(=O)COC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025581510	0	36	-1.0	-49.42	310.44	0.52	-48.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)F)=C1F	REAL300025581511	0	30	-1.0	-58.13	280.85	2.51	-55.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCOC2)N=N1	REAL300025581512	0	37	-1.0	-47.94	319.79	-1.18	-49.12
O=C(CCC1=NN=C(C(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025581513	0	31	-1.0	-49.02	294.50	-3.78	-52.80
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300025581514	0	44	-1.0	-46.30	357.77	5.56	-40.74
CC1=CN(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)N=C1C(F)(F)F	REAL300025581515	0	39	-1.0	-57.24	340.98	2.38	-54.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL300025581516	0	37	-1.0	-49.58	310.88	3.95	-45.63
CC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300025581517	0	50	-1.0	-50.57	416.70	7.51	-43.06
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300025581518	0	38	-1.0	-47.91	343.93	2.99	-44.92
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581519	0	48	-1.0	-51.65	379.83	1.25	-50.40
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300025581520	0	43	-1.0	-43.63	360.27	5.82	-37.81
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=C2)CCCC1	REAL300025581521	0	40	-1.0	-44.93	342.78	5.45	-39.48
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Br)=C2)CCCC1	REAL300025581522	0	40	-1.0	-43.43	342.79	5.45	-37.98
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025581523	0	44	-1.0	-45.96	350.97	4.12	-41.84
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2)CCCC1	REAL300025581524	0	40	-1.0	-43.54	338.23	5.35	-38.19
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1(Br)Br	REAL300025581525	0	27	-1.0	-44.44	272.87	1.90	-42.54
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1OC	REAL300025581526	0	48	-1.0	-47.43	380.20	4.03	-43.40
COC1=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=CC=C1C	REAL300025581527	0	47	-1.0	-45.88	371.00	4.90	-40.98
CC(C)C1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025581528	0	49	-1.0	-45.53	381.71	6.75	-38.78
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025581529	0	43	-1.0	-45.54	342.94	5.50	-40.04
COC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025581530	0	44	-1.0	-49.28	352.27	4.10	-45.18
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300025581531	0	40	-1.0	-42.18	329.34	4.77	-37.41
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300025581532	0	40	-1.0	-44.86	335.42	4.94	-39.92
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300025581533	0	40	-1.0	-42.24	342.45	5.53	-36.71
CC(C)C(C)(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581534	0	45	-1.0	-47.05	345.17	4.75	-42.30
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)CC1	REAL300025581535	0	48	-1.0	-50.94	386.22	0.55	-50.39
C[C@@H]1C[C@]1(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581536	0	42	-1.0	-42.77	339.12	3.51	-39.26
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300025581537	0	37	-1.0	-44.67	325.93	2.46	-42.21
CCC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025581538	0	39	-1.0	-51.00	334.56	4.06	-46.94
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1C1=CN=CC=N1	REAL300025581539	0	39	-1.0	-50.93	334.46	2.70	-48.23
O=C([N-]CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025581540	0	33	-2.0	-78.35	326.42	-2.47	-80.82
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCN1C(=O)OC(C)(C)C	REAL300025581541	0	54	-1.0	-43.09	411.57	3.45	-39.64
CC(C)(C)OC(=O)NC1CCCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581542	0	54	-1.0	-61.73	422.00	2.35	-59.38
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581543	0	44	-1.0	-45.64	367.64	0.58	-45.06
CC1=CN(C2CCOCC2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581544	0	41	-1.0	-46.78	339.80	0.85	-45.93
COC1=CC=C(Cl)C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025581545	0	37	-1.0	-44.48	343.91	2.51	-41.97
CCCCCCCC(=O)NC(CCSC)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581546	0	55	-1.0	-43.80	452.34	4.32	-39.48
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300025581547	0	39	-1.0	-45.03	335.67	3.77	-41.26
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025581548	0	33	-1.0	-47.81	297.65	3.05	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300025581549	0	38	-1.0	-47.04	347.71	3.85	-43.19
CCOC1=CC=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581550	0	40	-1.0	-46.80	340.69	3.25	-43.55
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581551	0	46	-1.0	-46.85	366.19	2.29	-44.56
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581552	0	35	-1.0	-48.59	318.71	-2.80	-51.39
CC1=CC=CC2=C1CC(C(=O)NCCC1=NC(=O)O[N-]1)N2C(=O)OC(C)(C)C	REAL300025581553	0	51	-1.0	-55.20	411.30	5.12	-50.08
CC1=CN2C=C(CC(=O)NCCC3=NC(=O)O[N-]3)N=C2S1	REAL300025581554	0	33	-1.0	-58.52	306.38	2.86	-55.66
COC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025581555	0	31	-1.0	-46.46	298.49	1.17	-45.29
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581556	0	40	-1.0	-56.76	336.66	3.60	-53.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C2C=CC=CN21	REAL300025581557	0	33	-1.0	-51.49	308.58	2.63	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025581558	0	33	-1.0	-44.34	321.41	3.00	-41.34
CC1(C(=O)NCCC2=NC(=O)O[N-]2)COC2=CC=CC=C2O1	REAL300025581559	0	36	-1.0	-46.78	308.92	1.44	-45.34
CSC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025581560	0	31	-1.0	-44.94	302.65	3.10	-41.84
CC(C)(C)OC(=O)CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025581561	0	41	-1.0	-50.83	354.15	0.89	-49.94
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581562	0	45	-1.0	-50.16	370.28	4.63	-45.53
O=C(C=CC1=CSC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581563	0	31	-1.0	-46.59	308.47	2.87	-43.72
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581564	0	44	-1.0	-49.08	377.91	2.30	-46.78
O=C(CC1=CSC(CCC(F)(F)F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025581565	0	35	-1.0	-48.26	335.65	1.81	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=CC(Br)=CC=C3C21	REAL300025581566	0	35	-1.0	-48.34	315.76	4.61	-43.73
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300025581567	0	34	-1.0	-47.07	312.62	3.95	-43.12
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC(C(F)(F)F)=N1	REAL300025581568	0	33	-1.0	-50.82	308.02	1.12	-49.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCCC2)N=C1	REAL300025581569	0	40	-1.0	-46.64	334.98	2.83	-43.81
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)C1	REAL300025581570	0	49	-1.0	-45.74	402.60	1.10	-44.64
CCN1C(=O)CO[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025581571	0	45	-1.0	-46.27	369.48	3.44	-42.83
CC1=CC=CC(COC(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581572	0	40	-1.0	-50.63	343.60	3.97	-46.66
CC1(C)[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC=C1	REAL300025581573	0	40	-1.0	-43.98	327.77	4.57	-39.41
O=C(CCC1=CC=C(F)C2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL300025581574	0	43	-1.0	-44.96	350.92	5.30	-39.66
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300025581575	0	47	-1.0	-45.45	393.84	0.87	-44.58
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581576	0	45	-1.0	-46.57	381.56	-0.82	-47.39
O=C(CC1=COC2=CC(Cl)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025581577	0	33	-1.0	-49.42	312.48	3.09	-46.33
CCC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL300025581578	0	37	-1.0	-45.83	319.49	2.87	-42.96
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL300025581579	0	32	-1.0	-46.07	275.99	0.30	-45.77
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025581580	0	39	-1.0	-45.80	337.36	5.17	-40.63
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCOC1	REAL300025581581	0	51	-1.0	-49.69	399.26	0.87	-48.82
CCOC(=O)C1(CC(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025581582	0	43	-1.0	-53.66	344.70	1.78	-51.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(O)=CC(Br)=C1	REAL300025581583	0	28	-1.0	-44.95	275.62	-0.69	-45.64
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025581584	0	36	-1.0	-45.64	324.65	4.08	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL300025581585	0	35	-1.0	-48.40	311.19	4.50	-43.90
O=C(CCCC1=CC=C2OCCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025581586	0	45	-1.0	-50.86	373.67	3.76	-47.10
COC1=CC=C(C2=CN=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C(C)=C1	REAL300025581587	0	43	-1.0	-46.69	363.87	3.06	-43.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL300025581588	0	41	-1.0	-46.40	335.81	2.92	-43.48
CN1CC(=O)NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025581589	0	36	-1.0	-48.11	312.28	-1.96	-50.07
CC1=CC(Br)=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581590	0	30	-1.0	-49.93	289.85	2.88	-47.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O	REAL300025581591	0	37	-1.0	-52.14	336.54	2.82	-49.32
CN(C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1)C1=CC=CC=C1	REAL300025581592	0	38	-1.0	-44.63	347.72	3.87	-40.76
O=C(CCC1=CC=C(C(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581593	0	36	-1.0	-46.02	321.51	3.90	-42.12
O=C(NCCC1=NC(=O)O[N-]1)C1CC(O)(C2=CC=CC(Cl)=C2)C1	REAL300025581594	0	38	-1.0	-45.33	335.75	1.33	-44.00
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581595	0	47	-1.0	-47.63	375.31	2.38	-45.25
CS(C)(=O)=NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581596	0	37	-1.0	-62.83	323.84	-0.13	-62.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(Br)=CC=C2C=C1	REAL300025581597	0	33	-1.0	-47.05	310.63	4.40	-42.65
COC1=CC(I)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581598	0	31	-1.0	-47.73	298.39	3.20	-44.53
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC(F)=CC=C2F)=N1	REAL300025581599	0	37	-1.0	-53.74	337.60	2.98	-50.76
COC1=CC=CC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581600	0	40	-1.0	-49.92	328.45	2.45	-47.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=C1	REAL300025581601	0	37	-1.0	-50.27	337.24	3.37	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1C(F)(F)F	REAL300025581602	0	34	-1.0	-46.81	319.34	2.38	-44.43
COC1=CC=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025581603	0	38	-1.0	-46.72	345.34	3.77	-42.95
CC(C)(C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581604	0	42	-1.0	-45.89	339.78	4.55	-41.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300025581605	0	40	-1.0	-46.04	359.56	4.15	-41.89
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1(F)F	REAL300025581606	0	41	-1.0	-56.89	355.89	-0.29	-57.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1Br	REAL300025581607	0	31	-1.0	-44.02	305.45	1.97	-42.05
CN1C(=O)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=CC(F)=C1	REAL300025581608	0	41	-1.0	-45.76	351.46	2.97	-42.79
CN1C=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=N1	REAL300025581609	0	37	-1.0	-51.59	323.28	2.83	-48.76
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=C1	REAL300025581610	0	33	-1.0	-48.80	300.82	0.85	-47.95
CC(C)C1=CC=C(OC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=N2)C=C1	REAL300025581611	0	46	-1.0	-48.73	390.33	3.85	-44.88
O=C(CC1=CN2C=C(F)C=CC2=N1)NCCC1=NC(=O)O[N-]1	REAL300025581612	0	33	-1.0	-54.90	300.45	2.89	-52.01
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCN1C(=O)C1=CC=CC=N1	REAL300025581613	0	40	-1.0	-58.47	339.76	1.89	-56.58
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025581614	0	36	-1.0	-48.61	314.07	2.73	-45.88
CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1	REAL300025581615	0	37	-1.0	-45.00	347.52	1.48	-43.52
CC(C)(C)N1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581616	0	39	-1.0	-53.65	316.88	2.44	-51.21
CC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025581617	0	33	-1.0	-45.15	313.22	1.70	-43.45
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581618	0	35	-1.0	-44.68	315.30	3.02	-41.66
CC1=CSC2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CN12	REAL300025581619	0	33	-1.0	-58.47	305.79	2.59	-55.88
O=C(CN1C=NC=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025581620	0	37	-1.0	-52.13	319.58	4.28	-47.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN2C=CN=C12	REAL300025581621	0	30	-1.0	-47.96	290.20	3.28	-44.68
O=C(NCCC1=NC(=O)O[N-]1)C1CC2CCCCC(C1)C2=O	REAL300025581622	0	42	-1.0	-47.53	320.67	2.77	-44.76
CCC1=CC2=C(SC=C2CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025581623	0	36	-1.0	-48.27	338.91	4.23	-44.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL300025581624	0	28	-1.0	-41.73	275.53	0.64	-41.09
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC3=CC=C(Br)C=C3C21	REAL300025581625	0	35	-1.0	-47.05	315.75	4.61	-42.44
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025581626	0	33	-1.0	-50.13	327.63	3.55	-46.58
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581627	0	41	-1.0	-60.28	341.67	0.46	-59.82
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581628	0	45	-1.0	-50.32	382.65	0.72	-49.60
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581629	0	50	-1.0	-47.38	390.30	2.12	-45.26
O=C(CCC1=CC=C(N2CCCS2(=O)=O)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581630	0	45	-1.0	-59.12	385.94	1.53	-57.59
CC1=CC2=C(SC=C2CC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025581631	0	33	-1.0	-48.51	317.41	3.46	-45.05
CC(C)(C)OC(=O)NC1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581632	0	44	-1.0	-47.21	360.67	0.27	-46.94
C[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025581633	0	43	-1.0	-53.25	353.78	0.27	-52.98
CC(C)(C)OC(=O)N(CCC(=O)NCCC1=NC(=O)O[N-]1)CC1CC1	REAL300025581634	0	50	-1.0	-47.45	406.26	4.11	-43.34
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025581635	0	51	-1.0	-58.91	401.38	3.33	-55.58
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1	REAL300025581636	0	43	-1.0	-44.57	359.05	5.64	-38.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1O	REAL300025581637	0	28	-1.0	-46.02	279.91	1.18	-44.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025581637	1	27	-2.0	-101.77	276.35	2.19	-99.58
COC(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581638	0	39	-1.0	-48.43	328.92	1.93	-46.50
O=C(CCC1=CC=CC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581639	0	39	-1.0	-46.32	331.82	5.15	-41.17
CC(CCC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581640	0	39	-1.0	-47.97	333.41	4.40	-43.57
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025581641	0	39	-1.0	-44.83	319.72	3.84	-40.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL300025581642	0	29	-1.0	-45.99	293.39	1.59	-44.40
CCN1N=CN=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581643	0	39	-1.0	-48.00	333.16	4.03	-43.97
O=C(CN1C=CC(Br)=CC1=O)NCCC1=NC(=O)O[N-]1	REAL300025581644	0	30	-1.0	-54.99	293.44	1.45	-53.54
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CN=C1)C1CCCC1	REAL300025581645	0	45	-1.0	-51.10	356.30	3.98	-47.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL300025581646	0	29	-1.0	-43.96	293.76	1.58	-42.38
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581647	0	40	-1.0	-55.13	352.74	0.52	-54.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C(Br)C=CC=C12	REAL300025581648	0	33	-1.0	-45.95	303.22	4.32	-41.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300025581649	0	37	-1.0	-52.81	329.94	1.91	-50.90
CC1(C)CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025581650	0	38	-1.0	-50.28	320.58	2.78	-47.50
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581651	0	35	-1.0	-52.52	318.54	1.05	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025581652	0	27	-2.0	-99.59	276.08	1.78	-97.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1O	REAL300025581652	1	28	-1.0	-45.12	279.65	0.77	-44.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1Br	REAL300025581653	0	26	-1.0	-42.54	276.43	0.90	-41.64
CC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025581654	0	33	-1.0	-45.97	307.81	1.29	-44.68
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581655	0	38	-1.0	-43.84	331.27	3.54	-40.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300025581656	0	33	-1.0	-47.88	332.86	3.66	-44.22
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581657	0	42	-1.0	-44.12	355.48	1.86	-42.26
CS(C)(=O)=NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581658	0	37	-1.0	-62.84	324.19	-0.04	-62.88
O=C(CC1=CC=C(Br)C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025581659	0	30	-1.0	-46.17	303.46	3.27	-42.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300025581660	0	38	-1.0	-46.34	325.91	3.54	-42.80
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL300025581661	0	33	-1.0	-41.86	302.76	1.49	-40.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1C1CC1	REAL300025581662	0	34	-1.0	-43.96	308.44	4.21	-39.75
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300025581663	0	30	-1.0	-49.06	299.30	3.45	-45.61
CC1=CC2=C(S1)C(CC(=O)NCCC1=NC(=O)O[N-]1)=CS2	REAL300025581664	0	33	-1.0	-48.36	316.71	3.44	-44.92
CN1N=C2CCSCC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581665	0	35	-1.0	-45.32	312.42	1.26	-44.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2	REAL300025581666	0	38	-1.0	-52.61	330.35	3.17	-49.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL300025581667	0	33	-1.0	-48.38	298.91	0.95	-47.43
CC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025581668	0	37	-1.0	-53.33	314.35	2.16	-51.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL300025581669	0	40	-1.0	-45.04	337.44	-1.13	-46.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300025581670	0	35	-1.0	-59.94	317.94	-4.13	-64.07
O=C(NCCC1=NC(=O)O[N-]1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300025581671	0	37	-1.0	-44.65	318.40	3.89	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300025581672	0	43	-1.0	-48.56	353.82	3.80	-44.76
CC1=CC=NC(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=C1	REAL300025581673	0	40	-1.0	-48.55	351.18	2.59	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=NC=CN2)=N1	REAL300025581674	0	30	-1.0	-51.03	292.33	-0.91	-51.94
CC(SC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025581675	0	37	-1.0	-61.54	345.81	-2.41	-63.95
CC(C)(C)OC(=O)CCC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025581676	0	49	-1.0	-47.15	394.43	2.91	-44.24
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581677	0	45	-1.0	-53.04	361.24	2.54	-50.50
COCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581678	0	47	-1.0	-44.66	379.19	-1.15	-45.81
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025581679	0	50	-1.0	-52.17	395.02	2.46	-49.71
C=CCOC(=O)[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025581680	0	50	-1.0	-53.03	422.45	2.05	-50.98
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1C[C@@H](F)CN1C(=O)OCC1=CC=CC=C1	REAL300025581681	0	45	-1.0	-56.10	390.66	3.92	-52.18
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581682	0	43	-1.0	-53.37	362.67	0.08	-53.29
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581683	0	44	-1.0	-50.41	367.10	-0.80	-51.21
CC(C)C[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025581684	0	52	-1.0	-46.27	405.60	4.07	-42.20
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581685	0	55	-1.0	-49.71	405.29	2.25	-47.46
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581686	0	53	-1.0	-49.24	401.87	3.34	-45.90
CCN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC(C)=C1	REAL300025581687	0	47	-1.0	-57.16	383.87	4.27	-52.89
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581688	0	42	-1.0	-41.75	353.74	4.64	-37.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O	REAL300025581689	0	36	-1.0	-49.60	326.63	2.09	-47.51
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581690	0	47	-1.0	-54.82	389.25	4.07	-50.75
CC(C)(C)OC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025581691	0	43	-1.0	-49.06	361.76	1.50	-47.56
CC(C)C1=CC=C(C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)C=C1	REAL300025581692	0	45	-1.0	-52.81	391.73	5.09	-47.72
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025581693	0	39	-1.0	-57.61	358.12	-1.54	-59.15
C[C@H]1CC[C@H](C2=NC(CC(=O)NCCC3=NC(=O)O[N-]3)=CS2)CC1	REAL300025581694	0	45	-1.0	-48.47	378.19	3.72	-44.75
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025581695	0	39	-1.0	-46.33	337.30	4.14	-42.19
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025581696	0	36	-1.0	-49.08	307.98	3.18	-45.90
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2F)=N1	REAL300025581697	0	39	-1.0	-45.14	352.27	3.74	-41.40
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300025581698	0	39	-1.0	-44.06	353.86	3.77	-40.29
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300025581699	0	39	-1.0	-44.19	366.17	4.15	-40.04
COC(=O)C1=NN(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581700	0	39	-1.0	-58.83	347.78	1.69	-57.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300025581701	0	38	-1.0	-51.20	326.61	1.06	-50.14
CCC(SC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1)C(N)=O	REAL300025581702	0	40	-1.0	-60.40	369.50	-1.51	-61.91
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300025581703	0	37	-1.0	-55.09	300.31	-1.21	-56.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N=CNC2=C1	REAL300025581704	0	32	-1.0	-55.30	289.05	-0.15	-55.45
O=C(CC1=CC=CC=C1N1CCCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025581705	0	41	-1.0	-48.42	348.74	3.76	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(C2=NC3=CC=CC=C3S2)C1	REAL300025581706	0	44	-1.0	-48.15	373.88	3.43	-44.72
C=CCCCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025581707	0	43	-1.0	-45.16	361.44	5.50	-39.66
CC1(C(=O)NCCC2=NC(=O)O[N-]2)OCCC2=CC=CC=C21	REAL300025581708	0	38	-1.0	-45.02	312.94	2.10	-42.92
COC1=CC=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025581709	0	41	-1.0	-51.63	355.32	1.76	-49.87
CC1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025581710	0	40	-1.0	-48.60	351.34	2.56	-46.04
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1C1=CC=CC=N1	REAL300025581711	0	35	-1.0	-50.14	313.22	1.60	-48.54
CC1=CC=C(Cl)C=C1OCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581712	0	34	-1.0	-48.00	313.65	3.34	-44.66
CC1=CC(C(F)(F)F)=NC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581713	0	31	-1.0	-48.93	298.47	0.69	-48.24
CCCCCC=CCC=CCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581714	0	64	-1.0	-45.82	512.56	10.63	-35.19
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300025581715	0	37	-1.0	-48.56	334.90	4.59	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(NC2CCCCC2)=N1	REAL300025581716	0	41	-1.0	-43.81	351.56	2.03	-41.78
O=C(CN1CCCCS1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025581717	0	35	-1.0	-59.71	305.42	-2.08	-61.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300025581718	0	31	-1.0	-46.07	298.47	1.69	-44.38
CC1(C)[C@@H](C=C(Cl)C2=CC=C(Cl)C=C2)[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581719	0	44	-1.0	-47.19	393.34	6.96	-40.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C(Br)=C1	REAL300025581720	0	31	-1.0	-46.00	302.85	1.80	-44.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2=C(F)C=CC=C21	REAL300025581721	0	35	-1.0	-48.11	302.42	2.20	-45.91
CS(=O)(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581722	0	39	-1.0	-62.71	321.77	-1.02	-63.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(C(F)(F)F)=C2)=CC=N1	REAL300025581723	0	39	-1.0	-45.58	353.84	4.27	-41.31
O=C(CN1N=C(C(F)F)C=C1C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025581724	0	37	-1.0	-51.86	335.04	2.42	-49.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300025581725	0	34	-1.0	-46.09	319.84	4.30	-41.79
CCC(CC1=CC=CC(C)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581726	0	42	-1.0	-46.41	341.26	4.89	-41.52
CC(C)(C)OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581727	0	40	-1.0	-49.64	323.68	2.66	-46.98
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC(Br)=C2)CC1	REAL300025581728	0	34	-1.0	-44.30	331.88	4.38	-39.92
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581729	0	35	-1.0	-46.34	308.64	2.96	-43.38
COC1=CC(OC)=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025581730	0	48	-1.0	-48.03	381.58	3.42	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCOCC1	REAL300025581731	0	45	-1.0	-45.80	339.25	1.17	-44.63
CC(C)(C)OC(=O)NC1=NC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025581732	0	46	-1.0	-50.98	398.18	2.04	-48.94
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)C2	REAL300025581733	0	48	-1.0	-48.55	392.84	1.50	-47.05
CC(C)(C)OC(=O)NC1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025581734	0	50	-1.0	-46.51	392.41	1.73	-44.78
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581735	0	50	-1.0	-48.09	390.30	2.11	-45.98
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1(F)F	REAL300025581736	0	44	-1.0	-53.69	372.14	0.51	-53.18
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025581737	0	51	-1.0	-53.15	397.43	3.25	-49.90
CC1=CC=C2OCC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025581738	0	36	-1.0	-46.54	310.58	2.73	-43.81
O=C(NCCC1=NC(=O)O[N-]1)C1CNC(=O)CC1C(F)(F)F	REAL300025581739	0	34	-1.0	-46.72	300.05	-1.28	-48.00
N#CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1	REAL300025581740	0	41	-1.0	-47.93	342.28	5.22	-42.71
COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025581741	0	40	-1.0	-53.33	341.62	2.13	-51.20
COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581742	0	40	-1.0	-50.50	340.32	1.01	-49.49
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581743	0	42	-1.0	-48.22	344.38	3.17	-45.05
O=C(CC1=CSC(C2CCCC2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025581744	0	39	-1.0	-48.79	338.41	2.45	-46.34
CC1(C)CCC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=NO2	REAL300025581745	0	39	-1.0	-44.79	319.57	2.47	-42.32
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300025581746	0	39	-1.0	-44.91	348.59	3.75	-41.16
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300025581747	0	42	-1.0	-50.79	365.90	3.27	-47.52
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025581748	0	30	-1.0	-40.24	290.36	2.45	-37.79
CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025581749	0	30	-1.0	-46.06	287.63	0.60	-45.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CN1CC1=CC=CC=C1	REAL300025581750	0	41	-1.0	-49.12	349.13	5.48	-43.64
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025581751	0	30	-1.0	-47.58	291.09	1.35	-46.23
O=C(CCC1CCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581752	0	40	-1.0	-46.66	329.95	4.69	-41.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL300025581753	0	29	-1.0	-45.17	279.58	0.82	-44.35
CC1=NN(C2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581754	0	41	-1.0	-48.28	339.02	0.73	-47.55
COC1=CC=C(CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025581755	0	47	-1.0	-49.92	391.07	3.79	-46.13
COC1=CC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=C1	REAL300025581756	0	41	-1.0	-46.41	336.96	3.20	-43.21
O=C(NCCC1=NC(=O)O[N-]1)[C@@H](CC1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025581757	0	48	-1.0	-60.37	404.65	7.29	-53.08
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581758	0	34	-1.0	-43.29	321.50	2.24	-41.05
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](OC(F)F)CC1	REAL300025581759	0	37	-1.0	-46.71	310.75	1.07	-45.64
CCOC(=O)N(C)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581760	0	40	-1.0	-53.49	342.55	1.27	-52.22
O=C(NCCC1=NC(=O)O[N-]1)C1C2=CC=CC=C2C(=O)OC12CCC2	REAL300025581761	0	41	-1.0	-54.94	341.58	4.31	-50.63
O=C(CC1CCC2(CCOCC2)CO1)NCCC1=NC(=O)O[N-]1	REAL300025581762	0	45	-1.0	-48.82	345.04	1.51	-47.31
CC1=CC(C)=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1Br	REAL300025581763	0	39	-1.0	-47.37	338.31	4.32	-43.05
COC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025581764	0	44	-1.0	-52.08	369.57	3.00	-49.08
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300025581765	0	34	-1.0	-45.13	305.89	3.62	-41.51
CCOC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1OCC	REAL300025581766	0	50	-1.0	-51.92	413.28	4.85	-47.07
O=C(CCCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581767	0	36	-1.0	-47.80	332.12	4.43	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300025581768	0	34	-1.0	-45.95	317.50	2.83	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCCC2=C1Br	REAL300025581769	0	31	-1.0	-49.59	291.96	0.77	-48.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN(C2CC2)C1=O	REAL300025581770	0	34	-1.0	-49.36	314.80	2.64	-46.72
CC1=C2OC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1Cl	REAL300025581771	0	36	-1.0	-49.71	331.17	3.67	-46.04
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581772	0	37	-1.0	-50.01	327.89	2.95	-47.06
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581773	0	36	-1.0	-45.72	318.21	1.07	-44.65
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581774	0	36	-1.0	-45.89	318.34	1.09	-44.80
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581775	0	37	-1.0	-53.91	331.02	-2.40	-56.31
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581776	0	53	-1.0	-45.81	407.67	3.11	-42.70
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025581777	0	47	-1.0	-47.94	400.60	6.31	-41.63
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300025581778	0	39	-1.0	-46.43	330.55	4.04	-42.39
CC1=CC=C([N+](=O)[O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025581779	0	35	-1.0	-54.59	308.33	3.39	-51.20
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=N1	REAL300025581780	0	27	-1.0	-51.86	267.19	-0.22	-52.08
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC=C(Br)C=C2C(=O)O1	REAL300025581781	0	34	-1.0	-54.56	323.70	3.86	-50.70
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1C(=O)NCCC2	REAL300025581782	0	35	-1.0	-61.65	301.81	-0.59	-62.24
CC1=NC(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2N1	REAL300025581783	0	35	-1.0	-53.94	310.61	-0.21	-54.15
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)SC(CC(F)(F)F)=N1	REAL300025581784	0	35	-1.0	-48.79	334.67	1.85	-46.94
C[C@H](NC(=O)CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025581785	0	43	-1.0	-46.08	366.45	2.24	-43.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=NC=C2S1	REAL300025581786	0	29	-1.0	-44.14	293.43	1.65	-42.49
O=C(CC1=COC2=C(F)C(F)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025581787	0	33	-1.0	-51.66	308.54	2.70	-48.96
CCSC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581788	0	37	-1.0	-47.75	326.87	3.97	-43.78
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581789	0	44	-1.0	-54.69	360.69	0.41	-54.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCCOC2=C1[N+](=O)[O-]	REAL300025581790	0	38	-1.0	-60.16	333.09	3.34	-56.82
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300025581791	0	44	-1.0	-51.69	369.54	0.25	-51.44
CC(C)(C)OC(=O)N1CC(C#N)C2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025581792	0	52	-1.0	-55.04	423.60	3.45	-51.59
CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581793	0	49	-1.0	-52.72	409.12	-2.66	-55.38
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581794	0	47	-1.0	-44.65	382.56	1.67	-42.98
O=C(CC1CCC2=C(C=CS2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025581795	0	36	-1.0	-56.77	318.29	4.12	-52.65
CC(C)(C)OC(=O)NCCCN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581796	0	50	-1.0	-52.02	418.24	0.71	-51.31
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)NCCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025581797	0	48	-1.0	-54.16	369.52	4.24	-49.92
CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581798	0	56	-1.0	-53.77	445.32	-0.30	-54.07
CC(C)(C)OC(=O)NC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581799	0	47	-1.0	-52.54	381.84	1.06	-51.48
COC1(C(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)C1	REAL300025581800	0	34	-1.0	-51.78	294.70	-3.67	-55.45
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581801	0	47	-1.0	-47.50	397.47	6.42	-41.08
CC(C)(C)OC(=O)NC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025581802	0	40	-1.0	-49.67	354.47	0.49	-49.18
CC(C)(C)OC(=O)NOCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581803	0	38	-1.0	-56.14	326.85	-0.29	-56.43
CN(CCCCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025581804	0	49	-1.0	-50.31	397.34	3.16	-47.15
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025581805	0	53	-1.0	-53.33	418.86	3.39	-49.94
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581806	0	47	-1.0	-44.29	390.25	1.02	-43.27
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581807	0	45	-1.0	-52.38	358.50	0.59	-51.79
CCOC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2(Cl)Cl)C=C1	REAL300025581808	0	41	-1.0	-45.94	375.91	4.68	-41.26
CC12CC3CC(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025581809	0	44	-1.0	-45.02	328.29	3.98	-41.04
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300025581810	0	40	-1.0	-51.98	339.23	2.38	-49.60
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025581811	0	46	-1.0	-49.46	361.69	2.83	-46.63
CN1C(=O)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CC=C(F)C=C1	REAL300025581812	0	41	-1.0	-46.44	351.45	2.97	-43.47
CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025581813	0	40	-1.0	-51.99	343.48	3.71	-48.28
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581814	0	47	-1.0	-52.21	384.83	2.34	-49.87
CC(C)(C)OC(=O)N1C(C(=O)NCCC2=NC(=O)O[N-]2)CCC2CCCCC21	REAL300025581815	0	57	-1.0	-49.38	423.39	4.83	-44.55
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025581816	0	38	-1.0	-61.55	325.89	3.22	-58.33
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581817	0	45	-1.0	-58.68	376.85	3.92	-54.76
COC1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025581818	0	34	-1.0	-53.05	300.10	0.04	-53.01
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300025581819	0	38	-1.0	-48.47	351.41	3.07	-45.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN2N=CC(Br)=C12	REAL300025581820	0	30	-1.0	-50.96	293.89	1.68	-49.28
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581821	0	41	-1.0	-49.62	322.24	3.49	-46.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)S1	REAL300025581822	0	34	-1.0	-48.56	341.35	2.96	-45.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)S1	REAL300025581823	0	34	-1.0	-48.66	336.72	2.85	-45.81
CC(C)(C)N1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581824	0	43	-1.0	-47.51	333.60	1.97	-45.54
O=C(COCCC1=CC=C(Br)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581825	0	37	-1.0	-48.55	345.20	4.01	-44.54
O=C(CCCC1=CC=C(C2CC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025581826	0	43	-1.0	-47.93	360.05	5.91	-42.02
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(CC2=CC=CC=C2)=C1	REAL300025581827	0	36	-1.0	-44.57	325.34	3.43	-41.14
COC1=CC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025581828	0	36	-1.0	-47.57	314.04	1.24	-46.33
CC(C)C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025581829	0	47	-1.0	-59.87	385.25	4.97	-54.90
CC1=C(C2=CC=CC=C2)N(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)S1	REAL300025581830	0	40	-1.0	-52.63	352.94	3.54	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CNC3=CC=CC=C23)=NN1	REAL300025581831	0	38	-1.0	-48.55	338.71	1.58	-46.97
CC1=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025581832	0	34	-1.0	-48.95	316.33	3.30	-45.65
CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025581833	0	33	-1.0	-44.45	302.26	3.41	-41.04
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=NC=CC=C1Br	REAL300025581834	0	29	-1.0	-45.70	287.82	1.69	-44.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=NO1	REAL300025581835	0	36	-1.0	-47.23	329.42	3.57	-43.66
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1=CC=CC=C1Br	REAL300025581836	0	36	-1.0	-46.87	336.28	2.48	-44.39
O=C(NCCC1=NC(=O)O[N-]1)[C@@H](C1=CC=CC=C1)N1CC2=CC=CC=C2C1=O	REAL300025581837	0	45	-1.0	-61.60	381.27	5.31	-56.29
COC1=CC=CC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581838	0	34	-1.0	-43.58	307.04	1.62	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN(CC(F)(F)F)C1=O	REAL300025581839	0	33	-1.0	-56.23	304.06	1.90	-54.33
CC1=CC(C#N)=CC(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581840	0	37	-1.0	-48.41	322.78	3.61	-44.80
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)S1	REAL300025581841	0	31	-1.0	-48.50	312.88	2.16	-46.34
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025581842	0	35	-1.0	-47.07	330.13	4.06	-43.01
CC1=CC=CN=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581843	0	40	-1.0	-48.93	349.86	2.62	-46.31
CS(C)(=O)=NS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581844	0	40	-1.0	-66.43	367.14	-1.77	-68.20
CCS(=O)(=O)C1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581845	0	39	-1.0	-59.91	337.76	0.60	-59.31
CC1=CC=CC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025581846	0	40	-1.0	-49.06	338.88	5.62	-43.44
CC(C)N1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581847	0	33	-1.0	-47.01	308.20	1.30	-45.71
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025581848	0	27	-1.0	-50.55	273.06	0.19	-50.36
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581849	0	50	-1.0	-51.39	397.18	1.64	-49.75
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1	REAL300025581850	0	35	-1.0	-48.72	306.64	0.77	-47.95
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581851	0	49	-1.0	-43.65	380.44	0.94	-42.71
O=C(CC1=CC(Br)=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025581852	0	30	-1.0	-45.72	303.46	3.27	-42.45
CNC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581853	0	36	-1.0	-60.40	314.27	-0.92	-61.32
CC(C)[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N1CC2=CC=CC=C2C1=O	REAL300025581854	0	44	-1.0	-61.40	361.83	5.58	-55.82
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCC2)=N1	REAL300025581855	0	40	-1.0	-50.36	330.99	2.46	-47.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300025581856	0	38	-1.0	-44.67	350.69	1.37	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300025581857	0	47	-1.0	-50.82	397.01	5.07	-45.75
CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025581858	0	46	-1.0	-47.17	398.08	-0.13	-47.30
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581859	0	48	-1.0	-47.40	377.17	3.15	-44.25
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581860	0	47	-1.0	-56.82	391.12	-0.66	-57.48
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CN=C21	REAL300025581861	0	47	-1.0	-48.85	385.81	3.80	-45.05
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025581862	0	48	-1.0	-47.13	388.00	4.33	-42.80
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025581863	0	48	-1.0	-45.00	377.43	2.89	-42.11
CC(C)(C)OC(=O)NC1CCCN2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025581864	0	51	-1.0	-55.23	413.33	0.68	-54.55
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581865	0	48	-1.0	-52.06	379.37	3.08	-48.98
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581866	0	44	-1.0	-44.28	370.30	-0.62	-44.90
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581867	0	55	-1.0	-51.37	416.03	3.00	-48.37
CC1CCC(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581868	0	44	-1.0	-43.83	348.51	3.76	-40.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL300025581869	0	45	-1.0	-44.92	353.37	3.76	-41.16
CC(SC1=CC=C(F)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581870	0	34	-1.0	-45.81	316.62	3.46	-42.35
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025581871	0	40	-1.0	-46.23	341.53	5.24	-40.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CN=N2)O1	REAL300025581872	0	33	-1.0	-52.24	305.67	0.16	-52.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=N2)N=C1	REAL300025581873	0	33	-1.0	-50.94	301.39	2.02	-48.92
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(C(F)(F)F)C=C1Cl	REAL300025581874	0	29	-1.0	-42.17	292.20	1.33	-40.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NC=CN=C2C(Br)=C1	REAL300025581875	0	31	-1.0	-48.48	299.73	0.72	-47.76
CC1=C(Br)C=CC(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581876	0	30	-1.0	-45.38	290.87	2.50	-42.88
CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCS(=O)(=O)N1	REAL300025581877	0	35	-1.0	-59.10	299.30	-3.59	-62.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC2=CC(Cl)=CC=C21	REAL300025581878	0	32	-1.0	-46.05	296.19	2.43	-43.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCNC(=O)C2=C1	REAL300025581879	0	36	-1.0	-56.20	311.60	-1.23	-57.43
O=C(CC1C(=O)NC2=C(F)C=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581880	0	35	-1.0	-55.90	311.59	1.96	-53.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Br)C=C2)=NS1	REAL300025581881	0	33	-1.0	-43.23	329.44	3.38	-39.85
COC1=CC=CC(CC(C)CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581882	0	43	-1.0	-49.13	352.98	3.50	-45.63
O=C(CC1CCCC(C(F)(F)F)O1)NCCC1=NC(=O)O[N-]1	REAL300025581883	0	37	-1.0	-50.37	321.23	2.28	-48.09
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=CN=CC=N2)CC1	REAL300025581884	0	43	-1.0	-48.46	351.34	0.84	-47.62
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@H](NC2=NC=CC=N2)CC1	REAL300025581885	0	43	-1.0	-49.15	354.82	3.51	-45.64
O=C(NCCC1=NC(=O)O[N-]1)C1CS(=O)(=O)CC(=O)N1	REAL300025581886	0	31	-1.0	-54.87	286.49	-5.80	-60.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(=O)O1	REAL300025581887	0	32	-1.0	-43.81	314.89	3.47	-40.34
CC1=C(C)C2=NC(C3=CN(C)N=C3)=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025581888	0	48	-1.0	-50.74	399.75	4.69	-46.05
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=N1	REAL300025581889	0	25	-1.0	-45.15	257.50	-0.38	-45.53
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581890	0	49	0.0	-71.84	397.56	4.71	-67.13
COC(=O)C1=CC=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581891	0	36	-1.0	-61.72	325.04	2.34	-59.38
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1=O	REAL300025581892	0	37	-1.0	-47.37	319.52	1.39	-45.98
CN1N=C(C(F)(F)F)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025581893	0	35	-1.0	-46.65	327.30	1.60	-45.05
O=C(NCCC1=NC(=O)O[N-]1)C1(CCC2=CC=CC=C2)CC1	REAL300025581894	0	40	-1.0	-46.34	341.48	5.00	-41.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1S(=O)C(F)(F)F	REAL300025581895	0	32	-1.0	-61.19	306.27	2.06	-59.13
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOC2=CC=CC=C21	REAL300025581896	0	38	-1.0	-45.47	306.85	2.45	-43.02
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCCO1	REAL300025581897	0	38	-1.0	-44.28	317.38	2.41	-41.87
CC1=C(C)C2=C(CCC(C)(C(=O)NCCC3=NC(=O)O[N-]3)O2)C(C)=C1O	REAL300025581898	0	48	-1.0	-44.75	377.60	1.84	-42.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025581899	0	27	-2.0	-95.72	281.32	2.13	-93.59
CCOC(=O)NC1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581900	0	38	-1.0	-52.23	336.93	0.77	-51.46
CN1C=C(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=O)C=N1	REAL300025581901	0	41	-1.0	-51.35	341.41	0.85	-50.50
CCOC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025581902	0	38	-1.0	-53.19	344.76	1.20	-51.99
COC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025581903	0	35	-1.0	-53.59	322.90	0.27	-53.32
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025581904	0	34	-1.0	-48.98	313.32	1.05	-47.93
O=C(CC1CC(=O)NC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581905	0	38	-1.0	-49.37	321.70	1.19	-48.18
COC(=O)NC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025581906	0	35	-1.0	-52.97	316.12	-0.10	-53.07
COC(=O)C1CCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581907	0	40	-1.0	-52.87	340.82	1.80	-51.07
CC1=C(Br)OC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581908	0	27	-1.0	-41.53	270.03	0.92	-40.61
COC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025581909	0	38	-1.0	-47.43	326.25	0.45	-46.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)NC(=O)N2CC1CC1	REAL300025581910	0	41	-1.0	-51.21	354.72	2.91	-48.30
CC1=C(Br)C=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581911	0	30	-1.0	-41.84	283.62	2.80	-39.04
CNC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581912	0	36	-1.0	-55.06	314.42	-0.96	-56.02
CCOC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581913	0	38	-1.0	-49.77	344.89	1.21	-48.56
O=C(CC1C(=O)NC2=C(Br)C=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025581914	0	35	-1.0	-54.76	326.12	2.50	-52.26
CC1=NN(CC(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581915	0	33	-1.0	-49.85	300.94	1.03	-48.82
CC(C)CN1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581916	0	39	-1.0	-54.82	325.47	2.76	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=C2C=CC=CN12	REAL300025581917	0	30	-1.0	-46.85	292.35	2.55	-44.30
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CS3)N=C2C=C1	REAL300025581918	0	42	-1.0	-46.54	370.98	5.30	-41.24
O=C(CN1N=C(C(F)(F)F)C2=C1CCOC2)NCCC1=NC(=O)O[N-]1	REAL300025581919	0	38	-1.0	-54.63	343.52	0.52	-54.11
CCC(C)(C)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581920	0	42	-1.0	-44.38	320.68	4.18	-40.20
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300025581921	0	37	-1.0	-50.05	319.91	1.92	-48.13
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC2(CC1)OCCO2	REAL300025581922	0	42	-1.0	-48.16	327.03	1.04	-47.12
CCC1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025581923	0	43	-1.0	-50.85	347.83	2.44	-48.41
CCS(=O)(=O)C1=CNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581924	0	36	-1.0	-56.43	328.07	-2.86	-59.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)NC1=O	REAL300025581925	0	27	-1.0	-47.27	266.80	-0.76	-48.03
CC1=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C(Br)C=C1	REAL300025581926	0	34	-1.0	-46.70	319.24	2.71	-43.99
CC(C)(C)C1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025581927	0	43	-1.0	-45.36	352.98	3.79	-41.57
CC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1Br	REAL300025581928	0	34	-1.0	-47.33	316.11	2.64	-44.69
O=C(CC1=CNC2=CN=C(Cl)C=C12)NCCC1=NC(=O)O[N-]1	REAL300025581929	0	33	-1.0	-52.90	311.42	0.94	-51.96
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=C(F)C=C1	REAL300025581930	0	33	-1.0	-44.85	301.93	2.63	-42.22
CC(C)(C)OC(=O)NCCCSCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581931	0	50	-1.0	-48.77	422.13	1.93	-46.84
CSCC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025581932	0	50	-1.0	-51.67	412.35	2.03	-49.64
CC(C)(C)OC(=O)N1CCC(CCCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025581933	0	59	-1.0	-50.86	455.83	5.42	-45.44
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581934	0	50	-1.0	-47.25	394.73	1.60	-45.65
C[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CCN1C(=O)OC(C)(C)C	REAL300025581935	0	50	-1.0	-49.58	386.29	2.90	-46.68
CC1=C(C)N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025581936	0	36	-1.0	-51.14	309.80	2.42	-48.72
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025581937	0	48	-1.0	-51.09	387.41	4.39	-46.70
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581938	0	50	-1.0	-53.75	398.18	2.88	-50.87
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581939	0	50	-1.0	-51.52	388.74	2.71	-48.81
CC(C)(C)OC(=O)NCC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025581940	0	59	-1.0	-51.20	438.56	3.41	-47.79
CC(C)(C)C1=CC=C(CSCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581941	0	46	-1.0	-48.71	388.56	5.91	-42.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC=N1	REAL300025581942	0	36	-1.0	-47.34	315.13	3.27	-44.07
CC(NC(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025581943	0	54	-1.0	-46.48	407.29	1.18	-45.30
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025581944	0	56	-1.0	-43.80	416.54	2.72	-41.08
CC(C)(C)OC(=O)N1CCC2CCCCC2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581945	0	57	-1.0	-55.23	427.56	5.20	-50.03
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=COC2=C(Cl)C=C1	REAL300025581946	0	30	-1.0	-48.08	285.16	2.38	-45.70
CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025581947	0	48	-1.0	-55.34	377.08	2.82	-52.52
CC1=CC(I)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581948	0	30	-1.0	-43.46	292.49	3.29	-40.17
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581949	0	33	-1.0	-46.13	307.17	3.21	-42.92
CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)CC1=O	REAL300025581950	0	48	-1.0	-53.35	383.60	1.01	-52.34
COC1=CC=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NN2C)C=C1OC	REAL300025581951	0	45	-1.0	-51.10	380.57	1.74	-49.36
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581952	0	46	0.0	-72.22	368.20	4.92	-67.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581952	1	46	0.0	-71.22	369.26	5.03	-66.19
COC1=CC=CN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C12	REAL300025581953	0	34	-1.0	-53.69	296.90	1.92	-51.77
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C2C1	REAL300025581954	0	50	-1.0	-47.43	406.65	3.00	-44.43
CC(C)(C)OC(=O)NCCN1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025581955	0	54	-1.0	-51.67	431.28	0.88	-50.79
CCCCCCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581956	0	61	-1.0	-53.14	475.34	5.29	-47.85
CC1C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N2CCN1C(=O)OC(C)(C)C	REAL300025581957	0	52	-1.0	-48.24	411.77	4.22	-44.02
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025581958	0	48	-1.0	-58.81	390.05	4.36	-54.45
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025581959	0	51	-1.0	-51.52	411.75	4.99	-46.53
COCCCOC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025581960	0	44	-1.0	-49.32	364.37	2.39	-46.93
C=CCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581961	0	50	-1.0	-44.29	401.33	1.88	-42.41
CC(C)(CNC(=O)OC(C)(C)C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581962	0	49	-1.0	-46.66	382.50	1.22	-45.44
CN1N=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581963	0	44	-1.0	-43.40	365.98	0.23	-43.17
CN1N=CC(NC(=O)OC(C)(C)C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581964	0	50	-1.0	-48.49	411.00	0.80	-47.69
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300025581965	0	37	-1.0	-44.82	326.96	3.27	-41.55
CC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3=CC=CO3)N=C2C=C1	REAL300025581966	0	42	-1.0	-47.50	363.15	4.36	-43.14
CCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581967	0	52	-1.0	-44.06	401.53	2.53	-41.53
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025581968	0	52	-1.0	-52.21	399.73	2.07	-50.14
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025581969	0	53	-1.0	-53.35	418.57	3.39	-49.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1CC1=CC=CC=C1	REAL300025581970	0	38	-1.0	-52.90	324.80	3.82	-49.08
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL300025581971	0	38	-1.0	-45.50	330.03	4.30	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2N=CC(Br)=C2C=C1	REAL300025581972	0	30	-1.0	-46.61	292.12	1.96	-44.65
CCC1=CC=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581973	0	33	-1.0	-42.99	298.56	3.53	-39.46
COC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025581974	0	31	-1.0	-45.06	294.07	1.46	-43.60
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC(Cl)=CC=C2Cl)=N1	REAL300025581975	0	36	-1.0	-45.04	354.32	3.87	-41.17
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(Br)=CC=CN2N=C1	REAL300025581976	0	30	-1.0	-51.37	288.50	1.78	-49.59
CN1C(C(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC(Br)=CN=C21	REAL300025581977	0	33	-1.0	-45.38	311.40	2.85	-42.53
NC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025581978	0	31	-1.0	-46.58	300.60	0.97	-45.61
CN1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL300025581979	0	30	-1.0	-47.97	284.92	0.96	-47.01
CC(C)C1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581980	0	34	-1.0	-41.84	315.40	1.40	-40.44
O=C(CCC1=CC(F)=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025581981	0	35	-1.0	-48.81	315.24	3.45	-45.36
O=C(CCC1=C(Cl)C=CC=C1[N+](=O)[O-])NCCC1=NC(=O)O[N-]1	REAL300025581982	0	35	-1.0	-51.59	325.75	3.95	-47.64
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Br	REAL300025581983	0	32	-1.0	-42.08	304.42	1.89	-40.19
O=C(CN1N=C(C(F)F)C=C1C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025581984	0	33	-1.0	-51.29	317.05	1.15	-50.14
CN(CCCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=NC=C1	REAL300025581985	0	42	-1.0	-55.70	356.78	1.44	-54.26
CC1=CC=CC=C1C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581986	0	40	-1.0	-47.32	332.26	5.43	-41.89
COC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)N=C2C=C1	REAL300025581987	0	39	-1.0	-46.63	330.23	1.89	-44.74
CC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025581988	0	29	-1.0	-46.06	278.42	1.05	-45.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)F)C=C1F	REAL300025581989	0	31	-1.0	-50.08	287.00	1.20	-48.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=NN1C1=CC=CC(Cl)=C1Cl	REAL300025581990	0	33	-1.0	-45.51	325.19	2.30	-43.21
O=C(CN1CC2=C(C=NN2C2=CC=CC=C2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025581991	0	42	-1.0	-58.67	371.62	3.13	-55.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C(C(F)(F)F)C=C1F	REAL300025581992	0	30	-1.0	-44.27	303.23	3.11	-41.16
CC1=CC2=CC=C(C)C(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025581993	0	39	-1.0	-47.96	332.38	4.72	-43.24
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025581994	0	34	-1.0	-49.72	308.52	3.27	-46.45
CCCOC1=NC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581995	0	42	-1.0	-52.24	357.92	3.42	-48.82
CC1=NN(C)C=C1C1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025581996	0	38	-1.0	-60.47	334.43	1.43	-59.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CO2)=C1	REAL300025581997	0	33	-1.0	-50.29	300.25	1.55	-48.74
O=C(CN1N=C(C(F)(F)F)C2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL300025581998	0	40	-1.0	-53.01	349.20	2.77	-50.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=N2)=N1	REAL300025581999	0	34	-1.0	-47.79	310.91	1.02	-46.77
CN1C(=O)CCC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025582000	0	38	-1.0	-51.94	319.98	2.43	-49.51
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Br	REAL300025582001	0	29	-1.0	-43.68	277.96	0.82	-42.86
CC1=CC=C2CC(C)(C(=O)NCCC3=NC(=O)O[N-]3)OC(=O)C2=C1	REAL300025582002	0	40	-1.0	-47.18	339.96	3.80	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1C1CC1	REAL300025582003	0	33	-1.0	-42.82	306.63	2.70	-40.12
O=C(NCCC1=NC(=O)O[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300025582004	0	31	-1.0	-41.08	301.88	1.28	-39.80
CC12CC3CC(Br)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C3)C2	REAL300025582005	0	44	-1.0	-44.62	348.77	4.52	-40.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCCC2	REAL300025582006	0	37	-1.0	-47.28	305.45	0.87	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NC=CS2)=C1	REAL300025582007	0	35	-1.0	-50.41	318.51	1.97	-48.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC(=O)C(C(F)(F)F)=C1	REAL300025582008	0	30	-1.0	-47.89	284.87	-0.49	-48.38
CCSC1=CNC(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582009	0	34	-1.0	-52.53	307.02	0.59	-51.94
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(C(F)F)NC2=CC=C1	REAL300025582010	0	33	-1.0	-55.54	303.61	1.33	-54.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(C(F)F)=NC2=CC=C1	REAL300025582010	1	33	-1.0	-49.87	301.93	1.40	-48.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2OC1C(F)F	REAL300025582011	0	36	-1.0	-46.76	318.87	2.89	-43.87
O=C(CC1=CC=CC(C(F)(F)F)=N1)NCCC1=NC(=O)O[N-]1	REAL300025582012	0	32	-1.0	-55.58	301.10	1.61	-53.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CN=C1Br	REAL300025582013	0	26	-1.0	-44.07	276.06	0.89	-43.18
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1	REAL300025582014	0	44	-1.0	-51.69	353.46	-0.94	-52.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(OC2=CC=CC=C2)C(F)=C1	REAL300025582015	0	38	-1.0	-45.45	346.09	4.60	-40.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC=C1Br	REAL300025582016	0	27	-1.0	-48.00	264.74	-0.91	-48.91
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=NN1	REAL300025582017	0	27	-1.0	-46.44	270.29	-1.05	-47.49
C[C@@H](NC(=O)CN1C=NN=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582018	0	35	-1.0	-57.30	315.25	-1.86	-59.16
CC1=CC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025582019	0	32	-1.0	-41.86	308.17	1.54	-40.32
CC(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025582020	0	46	-1.0	-50.80	364.51	2.91	-47.89
CC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C12	REAL300025582021	0	35	-1.0	-55.83	313.47	1.59	-54.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O	REAL300025582022	0	36	-1.0	-47.37	331.38	1.89	-45.48
CCCOC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1C	REAL300025582023	0	43	-1.0	-46.84	360.85	4.92	-41.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025582024	0	43	0.0	-71.75	348.59	3.54	-68.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCCCC2)O1	REAL300025582024	1	42	-1.0	-44.12	346.23	1.31	-42.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=CC(C(F)(F)F)=N2)C=C1	REAL300025582025	0	40	-1.0	-55.15	368.45	4.18	-50.97
C[C@H](NC(=O)CN1C=NN=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582026	0	35	-1.0	-55.93	315.26	-1.88	-57.81
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582027	0	42	-1.0	-47.26	347.34	3.97	-43.29
O=C(CC1C(=O)NC2=CC=C(Br)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025582028	0	35	-1.0	-52.72	326.48	2.52	-50.20
COC1=CC(OC)=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582029	0	38	-1.0	-50.70	326.93	0.83	-49.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=CC=CC=C2)=N1	REAL300025582030	0	36	-1.0	-46.73	317.36	3.46	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(F)C=C2N1	REAL300025582031	0	31	-1.0	-44.40	304.46	2.14	-42.26
O=C(CCCCCCCCC1CC1)NCCC1=NC(=O)O[N-]1	REAL300025582032	0	48	-1.0	-45.55	390.02	6.25	-39.30
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025582033	0	33	-2.0	-87.61	305.89	1.10	-86.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300025582034	0	27	-2.0	-103.38	270.94	1.65	-101.73
CN1N=CC2=C1C=C(C(=O)NCCC1=NC(=O)O[N-]1)C(=O)N2	REAL300025582035	0	33	-1.0	-47.91	295.37	-1.46	-49.37
COC1=C2C=CSC2=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582036	0	34	-1.0	-49.94	306.93	2.22	-47.72
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025582037	0	42	-1.0	-46.26	337.98	2.52	-43.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCS2(=O)=O	REAL300025582038	0	34	-1.0	-53.54	307.68	-0.57	-54.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2S1	REAL300025582039	0	30	-1.0	-43.12	299.13	3.45	-39.67
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC=C1C1=CC=CC=C1	REAL300025582040	0	33	-1.0	-46.90	299.95	2.53	-44.37
CC(CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1	REAL300025582041	0	39	-1.0	-47.30	346.40	4.78	-42.52
O=C(COCC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025582042	0	37	-1.0	-50.94	341.14	3.61	-47.33
COC1=CC=CC(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025582043	0	38	-1.0	-50.31	334.22	1.99	-48.32
COC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(F)=C1	REAL300025582044	0	34	-1.0	-47.88	312.60	2.52	-45.36
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025582045	0	35	-1.0	-46.12	323.35	1.29	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300025582046	0	36	-1.0	-45.26	314.86	3.24	-42.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCCO2)N=N1	REAL300025582047	0	37	-1.0	-47.72	322.79	-1.04	-48.76
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC(C(F)(F)F)=NC2=N1	REAL300025582048	0	31	-1.0	-50.32	304.81	2.80	-47.52
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCOCC1	REAL300025582049	0	54	-1.0	-54.31	416.94	0.75	-53.56
CCC(=O)NC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582050	0	36	-1.0	-55.68	315.03	-0.53	-56.21
CCC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582051	0	49	-1.0	-52.65	389.12	1.55	-51.10
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025582052	0	56	-1.0	-52.30	425.03	3.54	-48.76
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582053	0	47	-1.0	-46.86	374.74	2.39	-44.47
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025582054	0	59	-1.0	-52.89	451.95	4.01	-48.88
CCC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582055	0	49	-1.0	-52.68	389.12	1.55	-51.13
CC(C)(C)OC(=O)NC1CC2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC21	REAL300025582056	0	51	-1.0	-53.15	399.28	2.69	-50.46
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C(C)NC(=O)OC(C)(C)C)S1	REAL300025582057	0	49	-1.0	-46.49	415.13	0.69	-45.80
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582058	0	50	-1.0	-49.09	383.30	3.45	-45.64
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]2C[C@H]21	REAL300025582059	0	48	-1.0	-47.15	387.47	1.62	-45.53
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025582060	0	54	-1.0	-51.19	404.69	2.71	-48.48
CN(C(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025582061	0	50	-1.0	-51.60	385.11	3.34	-48.26
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025582062	0	47	-1.0	-44.30	390.57	3.07	-41.23
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582063	0	48	-1.0	-52.02	381.77	2.91	-49.11
CCOC(=O)C1CC12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025582064	0	40	-1.0	-49.72	342.02	3.44	-46.28
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(C1)CCCCC2	REAL300025582065	0	57	-1.0	-52.37	431.20	4.03	-48.34
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(NC(=O)OC(C)(C)C)=N1	REAL300025582066	0	44	-1.0	-54.71	369.21	0.91	-53.80
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025582067	0	54	-1.0	-50.90	415.01	2.85	-48.05
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025582068	0	48	-1.0	-50.62	375.38	3.47	-47.15
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025582069	0	45	-1.0	-49.70	359.93	2.79	-46.91
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(Cl)=C1Cl	REAL300025582070	0	28	-1.0	-44.13	298.25	2.00	-42.13
COCC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025582071	0	46	-1.0	-46.06	374.61	1.72	-44.34
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582072	0	46	-1.0	-52.71	380.39	2.62	-50.09
CC(C)(C)OC(=O)N1CCCC2(C(=O)NCCC3=NC(=O)O[N-]3)CC2C1	REAL300025582073	0	51	-1.0	-47.66	397.48	3.92	-43.74
CC(C)(C)OC(=O)NC1CCC2(CC2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582074	0	54	-1.0	-48.31	422.73	2.94	-45.37
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582075	0	55	-1.0	-44.96	437.95	5.02	-39.94
O=C(CC(C(F)F)N1C=CC=N1)NCCC1=NC(=O)O[N-]1	REAL300025582076	0	33	-1.0	-44.81	294.01	0.77	-44.04
C=CCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582077	0	47	-1.0	-44.39	379.83	1.09	-43.30
CC(C)(C)OC(=O)NC(CC1=NC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582078	0	46	-1.0	-46.37	385.02	-0.17	-46.54
CCCC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582079	0	52	-1.0	-52.63	410.61	2.33	-50.30
COC(=O)CC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582080	0	52	-1.0	-52.43	423.08	1.58	-50.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025582081	0	33	-1.0	-46.87	333.27	3.53	-43.34
CC1CN2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C(=O)N1	REAL300025582082	0	35	-1.0	-53.53	307.73	-2.37	-55.90
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025582083	0	44	-1.0	-46.68	383.78	1.14	-45.54
CCCC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582084	0	52	-1.0	-52.59	410.62	2.33	-50.26
CC(C)(C)OC(=O)N1CCC(C(C#N)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582085	0	51	-1.0	-46.26	407.80	3.30	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C=CS2(=O)=O	REAL300025582086	0	32	-1.0	-50.77	299.24	-0.82	-51.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(Br)=C2CCCCN12	REAL300025582087	0	34	-1.0	-43.60	308.90	2.10	-41.50
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300025582088	0	33	-1.0	-43.26	312.66	1.91	-41.35
O=C(CC(C(F)F)N1C=CN=C1)NCCC1=NC(=O)O[N-]1	REAL300025582089	0	33	-1.0	-45.72	294.77	2.22	-43.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCO3)OC2=C1	REAL300025582090	0	40	-1.0	-50.07	343.76	-0.56	-50.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CS2)=NO1	REAL300025582091	0	33	-1.0	-45.66	316.36	2.44	-43.22
O=C(NCCC1=NC(=O)O[N-]1)C(O)CC1=CC(Cl)=CC(Cl)=C1	REAL300025582092	0	34	-1.0	-46.16	332.54	1.95	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=CC2=C1OCC2	REAL300025582093	0	36	-1.0	-45.54	307.42	0.41	-45.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C2=CC=CN=C12	REAL300025582094	0	32	-1.0	-52.49	288.00	2.40	-50.09
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1	REAL300025582095	0	30	-1.0	-50.96	288.21	0.68	-50.28
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1	REAL300025582096	0	38	-1.0	-48.07	335.09	3.15	-44.92
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582097	0	43	-1.0	-58.31	374.70	2.45	-55.86
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=C1	REAL300025582098	0	30	-1.0	-49.14	295.60	1.80	-47.34
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC(Cl)=CC=C2C1	REAL300025582099	0	35	-1.0	-43.85	314.53	2.60	-41.25
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300025582100	0	34	-1.0	-46.74	323.67	2.88	-43.86
O=C(CN1C=C(I)N=N1)NCCC1=NC(=O)O[N-]1	REAL300025582101	0	26	-1.0	-56.74	270.28	-0.74	-57.48
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1F	REAL300025582102	0	34	-1.0	-49.50	322.66	4.22	-45.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300025582103	0	33	-1.0	-44.44	326.82	2.97	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300025582104	0	30	-1.0	-46.78	306.07	3.41	-43.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C(Br)=C1	REAL300025582105	0	34	-1.0	-53.46	327.97	2.77	-50.69
COC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CN=CC=C12	REAL300025582106	0	36	-1.0	-50.68	308.20	1.36	-49.32
COC1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582107	0	33	-1.0	-42.82	304.70	-0.99	-43.81
COC1=CC=CC=C1C1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025582108	0	37	-1.0	-48.66	337.35	2.18	-46.48
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300025582109	0	34	-1.0	-46.13	295.58	2.90	-43.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N(CCNS2(=O)=O)N=C1	REAL300025582110	0	33	-1.0	-60.95	300.94	-5.00	-65.95
CC1=NC2=C(CCCC2CC(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025582111	0	39	-1.0	-52.99	321.97	1.04	-51.95
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025582112	0	38	-1.0	-50.30	331.37	0.04	-50.26
CCCCCC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582113	0	45	-1.0	-46.71	375.31	5.99	-40.72
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=C(F)C=C(F)C=C2C1	REAL300025582114	0	35	-1.0	-44.06	310.44	2.22	-41.84
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582115	0	42	-1.0	-53.05	353.11	3.79	-49.26
CC(C)(C)OCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025582116	0	39	-1.0	-45.27	342.23	0.55	-44.72
CC1=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC=C1[N+](=O)[O-]	REAL300025582117	0	36	-1.0	-45.45	323.15	2.77	-42.68
COC1=CC(F)=CC(N2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025582118	0	38	-1.0	-47.06	340.57	2.06	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025582119	0	49	-1.0	-50.32	397.44	7.47	-42.85
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025582120	0	33	-1.0	-51.19	289.10	3.08	-48.11
CN(C)C1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025582121	0	38	-1.0	-46.60	336.72	2.43	-44.17
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=NC=C1)CC2	REAL300025582122	0	40	-1.0	-47.98	324.06	3.16	-44.82
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(F)C=C1F	REAL300025582123	0	34	-1.0	-49.93	307.77	3.66	-46.27
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025582124	0	50	-1.0	-52.97	392.78	1.02	-51.95
CCC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CNC2=N1	REAL300025582125	0	35	-1.0	-70.75	306.14	1.29	-69.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(CC3CC3)N=C2NC=C1	REAL300025582126	0	39	-1.0	-70.81	337.02	2.89	-67.92
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C2CCCCC2=N1	REAL300025582127	0	39	-1.0	-45.01	317.32	2.83	-42.18
CC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582128	0	46	-1.0	-52.73	367.62	0.80	-51.93
CC1CN2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2CN1C(=O)OC(C)(C)C	REAL300025582129	0	51	-1.0	-47.33	408.30	2.08	-45.25
CC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582130	0	46	-1.0	-52.76	367.62	0.80	-51.96
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300025582131	0	41	-1.0	-48.59	350.30	3.33	-45.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(F)=CC=C2F)C=C1	REAL300025582132	0	34	-1.0	-46.66	314.44	2.74	-43.92
CC(C)(C)OC(=O)N1CC(C2=NNC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025582133	0	48	-1.0	-48.95	399.64	0.85	-48.10
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CS(=O)(=O)CC(=O)N1	REAL300025582134	0	31	-1.0	-54.94	286.44	-5.80	-60.74
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(CCNC(=O)OC(C)(C)C)S1	REAL300025582135	0	49	-1.0	-49.73	417.54	0.59	-49.14
CCN(CC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1)C(=O)OC(C)(C)C	REAL300025582136	0	59	-1.0	-52.78	445.20	5.47	-47.31
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C21	REAL300025582137	0	45	-1.0	-56.90	371.33	2.72	-54.18
CC(C)(C)OC(=O)NC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN2C=C1	REAL300025582138	0	47	-1.0	-51.72	396.05	1.61	-50.11
CCN1C=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582139	0	41	-1.0	-47.68	345.96	1.07	-46.61
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(O)(C2=CC=CC=C2)C1	REAL300025582140	0	41	-1.0	-50.60	335.74	1.39	-49.21
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582141	0	45	-1.0	-47.53	379.66	0.11	-47.42
CN1C=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582142	0	38	-1.0	-47.92	324.85	0.15	-47.77
CC1=C([C@@H]2OCC[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL300025582143	0	41	-1.0	-46.92	340.56	0.54	-46.38
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582144	0	47	-1.0	-49.90	374.79	2.03	-47.87
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582145	0	41	-1.0	-47.68	329.96	1.01	-46.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=C(C3CCCCC3)OC2=C1	REAL300025582146	0	45	-1.0	-47.49	370.76	2.48	-45.01
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=C(F)C=C1	REAL300025582147	0	37	-1.0	-47.69	328.33	2.60	-45.09
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(CC2=CC=CC=C2F)C1	REAL300025582148	0	41	-1.0	-49.58	354.93	3.03	-46.55
O=C(NCCC1=NC(=O)O[N-]1)C1CC12C(=O)NC1=CC=CC=C12	REAL300025582149	0	36	-1.0	-44.74	316.62	0.99	-43.75
COC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025582150	0	37	-1.0	-45.43	330.08	0.54	-44.89
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCO[C@H]1C1=CC=C(Cl)C=C1Cl	REAL300025582151	0	41	-1.0	-45.29	361.48	4.11	-41.18
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(C)C)O1	REAL300025582152	0	42	-1.0	-44.73	350.62	3.97	-40.76
O=C(CN1N=NN=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025582153	0	35	-1.0	-54.45	311.56	1.10	-53.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2=CC=CC=N2)N=C1	REAL300025582154	0	34	-1.0	-50.24	308.53	0.99	-49.25
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)NCCC1=NC(=O)O[N-]1	REAL300025582155	0	38	-1.0	-50.42	341.64	3.36	-47.06
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)N1	REAL300025582156	0	34	-1.0	-44.33	315.62	0.22	-44.11
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025582156	1	33	-2.0	-82.90	312.19	-0.21	-83.11
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC=CC([N+](=O)[O-])=C1	REAL300025582157	0	36	-1.0	-48.13	316.10	4.16	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)F)=C1	REAL300025582158	0	30	-1.0	-48.21	282.46	2.49	-45.72
CS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582159	0	39	-1.0	-52.66	350.01	0.55	-52.11
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582160	0	42	-1.0	-50.85	339.37	3.25	-47.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2CCCC(=O)C2=C1	REAL300025582161	0	35	-1.0	-51.79	303.55	1.33	-50.46
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Br	REAL300025582162	0	37	-1.0	-49.48	344.10	3.95	-45.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)F)C(F)=C1	REAL300025582163	0	30	-1.0	-51.85	282.67	2.50	-49.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2CCCCC2)=C1	REAL300025582164	0	40	-1.0	-46.05	339.44	4.52	-41.53
CC(C)(C)CC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025582165	0	38	-1.0	-45.28	328.10	1.98	-43.30
COC(=O)C1=CC=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582166	0	36	-1.0	-46.12	314.11	2.88	-43.24
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582167	0	44	-1.0	-45.97	363.36	1.51	-44.46
CCOC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025582168	0	34	-1.0	-49.45	324.49	2.21	-47.24
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025582169	0	32	-2.0	-76.93	301.77	1.34	-75.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC(F)=C(F)C=C2C1=O	REAL300025582169	1	33	-1.0	-51.54	304.99	1.78	-49.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Br)=C1F	REAL300025582170	0	27	-1.0	-46.07	274.85	2.27	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Br)=C1	REAL300025582171	0	30	-1.0	-41.34	298.83	2.93	-38.41
CSC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582172	0	37	-1.0	-45.89	329.54	4.05	-41.84
CP(C)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582173	0	36	-1.0	-52.56	323.32	1.11	-51.45
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582174	0	32	-1.0	-52.46	300.04	-2.84	-55.30
CC(C)(C)OC(=O)NCC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025582175	0	48	-1.0	-48.02	389.37	-0.93	-48.95
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(Br)C=C1	REAL300025582176	0	34	-1.0	-44.13	319.15	2.71	-41.42
CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582177	0	52	-1.0	-48.63	403.74	1.35	-47.28
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC[C@H]12	REAL300025582178	0	54	-1.0	-49.81	407.52	3.58	-46.23
CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582179	0	50	-1.0	-42.40	401.25	3.20	-39.20
CC(C)C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582180	0	52	-1.0	-52.73	410.26	2.14	-50.59
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582181	0	47	-1.0	-46.05	392.03	-0.37	-46.42
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCCCC(=O)C2=C1	REAL300025582182	0	36	-1.0	-49.62	311.80	0.76	-48.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC=C1Cl	REAL300025582183	0	35	-1.0	-46.83	316.67	4.85	-41.98
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C(F)=C2)C=C1	REAL300025582184	0	34	-1.0	-49.71	317.38	2.81	-46.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025582185	0	39	-1.0	-49.40	372.95	4.05	-45.35
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N(CC2=CC=CC=C2)N=C1	REAL300025582186	0	37	-1.0	-46.54	345.47	3.54	-43.00
CC(C)(C)OC(=O)NCC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025582187	0	46	-1.0	-53.48	399.86	-0.13	-53.61
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582188	0	48	-1.0	-47.40	384.68	1.59	-45.81
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1	REAL300025582189	0	33	-1.0	-45.83	311.64	3.87	-41.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCCCC2	REAL300025582190	0	40	-1.0	-46.45	315.64	4.36	-42.09
O=C(CC1=NN(CC(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025582191	0	33	-1.0	-55.70	309.36	1.35	-54.35
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC2=C(Br)C=CC=C21	REAL300025582192	0	32	-1.0	-42.82	300.07	2.59	-40.23
CC(C)(C)OC(=O)CN1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025582193	0	49	-1.0	-48.82	394.09	3.52	-45.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC=C1N1CCOCC1	REAL300025582194	0	39	-1.0	-47.12	324.03	-0.21	-47.33
CCOC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2C=C1	REAL300025582195	0	40	-1.0	-52.50	343.18	3.84	-48.66
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)C1=CC=CC=C1	REAL300025582196	0	39	-1.0	-47.40	321.36	3.84	-43.56
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582197	0	44	-1.0	-46.60	365.00	-1.64	-48.24
O=C(CCC1=CC=C2OCCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025582198	0	41	-1.0	-46.77	343.03	3.66	-43.11
CC1=NN(C2=CC=CC=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582199	0	37	-1.0	-44.44	321.76	3.68	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(=O)C2=CC=CC=C2)=CN1	REAL300025582200	0	37	-1.0	-56.30	328.49	2.56	-53.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)C(OCC2=CC=C(F)C=C2)=CO1	REAL300025582201	0	40	-1.0	-52.27	364.14	3.60	-48.67
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582202	0	37	-1.0	-44.92	329.52	2.91	-42.01
CC(C)(CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OCC1=CC=CC=C1	REAL300025582203	0	47	-1.0	-50.28	385.82	2.06	-48.22
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025582204	0	43	-1.0	-46.20	378.91	-0.81	-47.01
CC(C)C[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582205	0	52	-1.0	-51.50	402.55	1.96	-49.54
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(CNC(=O)OC(C)(C)C)S1	REAL300025582206	0	46	-1.0	-46.12	396.03	-0.17	-46.29
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025582207	0	48	-1.0	-52.34	390.86	1.62	-50.72
CC(C)(C)OC(=O)N1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025582208	0	48	-1.0	-50.90	377.70	3.23	-47.67
O=C(CC1=C(Br)SC=C1)NCCC1=NC(=O)O[N-]1	REAL300025582209	0	27	-1.0	-46.43	277.86	1.84	-44.59
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582210	0	44	-1.0	-46.67	361.57	4.74	-41.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CC(=O)C2)C=C1	REAL300025582211	0	36	-1.0	-50.06	311.75	3.24	-46.82
O=C(CCC1=C2C=CC=CC2=NN1)NCCC1=NC(=O)O[N-]1	REAL300025582212	0	36	-1.0	-47.87	316.22	1.62	-46.25
O=C(CCC1=NNC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025582212	1	36	-1.0	-47.57	316.42	1.62	-45.95
CC(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(C)C)N1	REAL300025582213	0	43	-1.0	-46.72	352.17	3.15	-43.57
CCCOC1=CC=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025582214	0	44	-1.0	-53.12	372.74	3.29	-49.83
N#CC1=C2CCCCN2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582215	0	36	-1.0	-48.09	309.81	3.21	-44.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC(NC2=CN=CC=N2)C1	REAL300025582216	0	43	-1.0	-49.19	351.33	0.84	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=NC=CC=N2)C=C1	REAL300025582217	0	37	-1.0	-50.69	325.05	4.09	-46.60
CS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025582218	0	35	-1.0	-57.27	332.89	-1.34	-58.61
COC(=O)C1=C2CCCCN2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582219	0	41	-1.0	-48.41	342.73	3.39	-45.02
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C(F)(F)F)O1	REAL300025582220	0	33	-1.0	-46.19	310.56	2.06	-44.13
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C(C)(C)C	REAL300025582221	0	52	-1.0	-52.21	399.73	2.08	-50.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O	REAL300025582222	0	33	-1.0	-47.07	321.88	1.93	-45.14
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CC1	REAL300025582223	0	40	-1.0	-45.93	333.55	5.04	-40.89
O=C(CN1N=CC=C1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025582224	0	37	-1.0	-51.84	320.68	2.66	-49.18
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC[C@@H](N2C=CC=C2)CC1	REAL300025582225	0	41	-1.0	-50.64	323.18	3.99	-46.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(C2=CC=CN=C2)=N1	REAL300025582226	0	32	-1.0	-47.23	305.58	0.57	-46.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2F)OC=N1	REAL300025582227	0	33	-1.0	-46.68	304.75	-0.01	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1F	REAL300025582228	0	31	-1.0	-46.79	293.74	1.41	-45.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1	REAL300025582229	0	38	-1.0	-44.49	343.19	5.32	-39.17
COC(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)N1	REAL300025582230	0	37	-1.0	-47.99	331.02	1.30	-46.69
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(F)C(F)=C1F	REAL300025582231	0	29	-1.0	-39.13	280.96	1.57	-37.56
CC(C)[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582232	0	49	-1.0	-52.41	384.14	1.29	-51.12
COC(=O)C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582233	0	49	-1.0	-49.73	400.93	1.08	-48.65
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582234	0	47	-1.0	-45.23	378.17	2.41	-42.82
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582235	0	50	-1.0	-49.54	383.64	3.44	-46.10
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)NCCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025582236	0	51	-1.0	-50.26	393.02	3.11	-47.15
CC1CC(C)C(C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025582237	0	53	-1.0	-54.22	407.57	4.08	-50.14
CC(C)[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582238	0	49	-1.0	-52.42	384.10	1.28	-51.14
CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582239	0	47	-1.0	-56.42	394.07	-2.98	-59.40
CN(C)C1=NC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025582240	0	33	-1.0	-43.48	309.04	2.65	-40.83
CC1=CN=C2C(=C1)C=NN2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582241	0	35	-1.0	-54.61	312.94	1.64	-52.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300025582242	0	37	-1.0	-51.18	348.78	3.80	-47.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1	REAL300025582243	0	39	-1.0	-55.38	357.26	3.91	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1	REAL300025582244	0	38	-1.0	-59.59	352.59	6.91	-52.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CCCCO2)N=C1	REAL300025582245	0	41	-1.0	-48.46	343.47	1.42	-47.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC=C2Br)N=C1	REAL300025582246	0	34	-1.0	-48.49	320.02	3.55	-44.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC2=C1CCCCCC2	REAL300025582247	0	40	-1.0	-46.08	319.22	3.97	-42.11
CC1(C)CCC2=C(C1)SC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582248	0	40	-1.0	-46.17	329.93	4.02	-42.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC1=CC=CC(Cl)=C1Cl	REAL300025582249	0	39	-1.0	-48.97	363.48	5.22	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCNC(=O)C2=C1	REAL300025582250	0	35	-1.0	-58.99	302.88	0.00	-58.99
CC(C)(C)OCCOCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582251	0	43	-1.0	-45.96	353.23	0.65	-45.31
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=C1	REAL300025582252	0	30	-1.0	-45.06	295.89	1.80	-43.26
CC(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)C1	REAL300025582253	0	43	-1.0	-44.77	355.02	4.91	-39.86
COC(=O)C1=CC(CCC(=O)NCCC2=NC(=O)O[N-]2)=CN1	REAL300025582254	0	37	-1.0	-50.86	330.99	1.44	-49.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCC(=O)NC2=C1	REAL300025582255	0	35	-1.0	-51.98	303.09	0.71	-51.27
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582256	0	37	-1.0	-48.57	328.78	3.36	-45.21
CC1=CC=CN2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CN=C12	REAL300025582257	0	36	-1.0	-54.96	315.86	3.19	-51.77
CC(C)(C)OC(=O)NCC(CC1CCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582258	0	56	-1.0	-52.05	424.88	3.26	-48.79
CC(C)(C)OC(=O)NCCCCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582259	0	50	-1.0	-53.30	421.96	1.91	-51.39
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300025582260	0	41	-1.0	-43.74	348.60	4.80	-38.94
CS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582261	0	36	-1.0	-57.63	328.63	-0.26	-57.89
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=CO1	REAL300025582262	0	37	-1.0	-47.73	331.68	3.96	-43.77
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300025582263	0	36	-1.0	-41.84	328.28	2.86	-38.98
CC1=C(CC(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2N1	REAL300025582264	0	40	-1.0	-44.52	351.47	3.71	-40.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1OCC1CC1	REAL300025582265	0	38	-1.0	-50.68	345.54	3.68	-47.00
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCCC2)=NO1	REAL300025582266	0	42	-1.0	-43.78	350.34	3.59	-40.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2CCCC2)=NO1	REAL300025582267	0	39	-1.0	-43.82	331.94	2.94	-40.88
CC(C)COC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582268	0	40	-1.0	-48.16	350.81	5.00	-43.16
CN1C=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCO2)C=N1	REAL300025582269	0	38	-1.0	-47.34	321.51	0.08	-47.26
O=C(CC1=CC=C2OC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025582270	0	33	-1.0	-52.17	299.72	-0.28	-52.45
CC(C)(C)CN1C(=O)NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025582271	0	46	-1.0	-55.04	371.38	2.98	-52.06
O=C(NCCC1=NC(=O)O[N-]1)C1=C2COCCN2C(C2=CC=CC=C2)=N1	REAL300025582272	0	42	-1.0	-48.79	353.27	2.56	-46.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1	REAL300025582273	0	44	-1.0	-47.42	365.90	6.73	-40.69
C=CCCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582274	0	40	-1.0	-46.30	342.00	5.10	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300025582275	0	37	-1.0	-44.16	338.02	3.32	-40.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)N2CCCCC2)=C1	REAL300025582276	0	44	-1.0	-56.88	359.42	3.50	-53.38
CCCCCCCSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582277	0	49	-1.0	-45.68	412.31	7.31	-38.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC2(F)F)CC1	REAL300025582278	0	37	-1.0	-50.51	305.83	3.08	-47.43
O=C(CN1CCCC2(CC2)S1(=O)=O)NCCC1=NC(=O)O[N-]1	REAL300025582279	0	39	-1.0	-50.30	334.53	-0.71	-51.01
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025582280	0	27	-1.0	-45.28	279.98	0.20	-45.08
CC(C)(C)OC(=O)NC1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)CC1	REAL300025582281	0	57	-1.0	-48.77	439.96	3.23	-45.54
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582282	0	53	-1.0	-46.54	415.24	3.46	-43.08
CC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=N1	REAL300025582283	0	35	-1.0	-46.21	318.43	2.25	-43.96
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582284	0	47	-1.0	-54.23	377.19	2.47	-51.76
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025582285	0	54	-1.0	-53.58	415.98	4.47	-49.11
COC1(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025582286	0	40	-1.0	-41.78	317.41	2.66	-39.12
CN(C)S(=O)(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582287	0	43	-1.0	-49.69	358.57	-1.39	-51.08
O=C(CCC1=CN=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582288	0	32	-1.0	-45.18	305.50	1.84	-43.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(OC(F)F)=C1	REAL300025582289	0	31	-1.0	-45.52	288.94	1.18	-44.34
CCCCCCCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582290	0	51	-1.0	-45.88	415.18	7.66	-38.22
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CN=C1)CC2	REAL300025582291	0	40	-1.0	-50.81	323.22	3.08	-47.73
CC(C)(C)C1=CN=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582292	0	38	-1.0	-46.90	327.47	2.49	-44.41
CC1(C)OC(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025582293	0	37	-1.0	-56.55	323.56	3.23	-53.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=C(F)C=CC=C2F)=NO1	REAL300025582294	0	33	-1.0	-46.28	309.76	2.63	-43.65
CCCCNC(=O)CSC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582295	0	46	-1.0	-55.16	404.94	1.63	-53.53
NC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582296	0	33	-1.0	-53.24	305.13	-1.87	-55.11
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582297	0	44	-1.0	-53.69	363.99	-2.87	-56.56
CN1N=C(C2CCOCC2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582298	0	41	-1.0	-44.27	338.16	0.63	-43.64
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582299	0	37	-1.0	-51.47	327.61	3.53	-47.94
COC(=O)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025582300	0	35	-1.0	-46.94	303.75	0.96	-45.98
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1F	REAL300025582301	0	37	-1.0	-51.40	331.60	3.29	-48.11
CN(C)C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582302	0	36	-1.0	-47.63	312.01	0.66	-46.97
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C2C1=O	REAL300025582303	0	35	-1.0	-45.42	308.46	2.50	-42.92
CNC(=O)NC1=CC=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582304	0	36	-1.0	-53.19	327.06	-0.42	-53.61
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025582305	0	34	-1.0	-52.11	302.59	1.84	-50.27
CN1C=C(Br)C(CC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025582306	0	30	-1.0	-50.57	291.67	0.48	-50.09
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC=C21	REAL300025582307	0	36	-1.0	-44.75	318.08	4.31	-40.44
CN1N=CC2=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025582308	0	36	-1.0	-51.38	317.29	2.20	-49.18
O=C(CN1C=CC2=CC(Br)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025582309	0	34	-1.0	-50.56	322.46	4.30	-46.26
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC=C(Br)C2=N1	REAL300025582310	0	29	-1.0	-54.62	290.73	1.65	-52.97
CC1=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=CC(Br)=C1	REAL300025582311	0	34	-1.0	-44.45	319.51	2.73	-41.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2C(Cl)=N1	REAL300025582312	0	32	-1.0	-42.75	322.56	3.06	-39.69
CC1=CC=CC=C1C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025582313	0	43	-1.0	-47.51	356.38	5.97	-41.54
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025582314	0	36	-1.0	-46.53	314.09	2.88	-43.65
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025582315	0	33	-1.0	-49.06	310.54	2.71	-46.35
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1(C)C	REAL300025582316	0	53	-1.0	-50.90	400.56	2.67	-48.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC=C1OCC(F)(F)F	REAL300025582317	0	33	-1.0	-49.98	324.28	2.06	-47.92
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582318	0	49	-1.0	-57.02	387.97	2.43	-54.59
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025582319	0	48	-1.0	-43.28	375.76	-0.63	-43.91
CC(C)(C)OC(=O)N1CC2(CC2(F)F)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582320	0	48	-1.0	-51.95	401.84	3.34	-48.61
CC[C@H](C)[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582321	0	52	-1.0	-52.79	405.68	2.38	-50.41
CC(C)(C)OC(=O)N1CC2(C1)COC(CC(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025582322	0	52	-1.0	-55.97	418.40	1.77	-54.20
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582323	0	53	-1.0	-54.76	406.59	3.66	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CC2)=NC2=CC=NN21	REAL300025582324	0	36	-1.0	-44.33	315.88	3.10	-41.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300025582325	0	34	-1.0	-48.17	317.13	2.98	-45.19
CN1CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025582326	0	37	-1.0	-49.49	317.62	0.69	-48.80
CC(C)(C)OC(=O)NCCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582327	0	50	-1.0	-51.86	412.70	2.75	-49.11
CC1=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025582328	0	30	-1.0	-45.97	299.85	2.43	-43.54
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582329	0	49	-1.0	-60.29	401.81	1.41	-58.88
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025582330	0	48	-1.0	-47.91	402.21	3.88	-44.03
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582331	0	46	-1.0	-50.75	381.73	0.91	-49.84
CC(F)(F)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025582332	0	37	-1.0	-41.22	297.12	0.52	-40.70
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1N	REAL300025582333	0	35	-1.0	-44.26	312.05	-0.31	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCCO2)CCCO1	REAL300025582334	0	42	-1.0	-47.14	331.54	1.56	-45.58
CC1=CC=CC(C(C(=O)NCCC2=NC(=O)O[N-]2)C2CCCCC2)=C1	REAL300025582335	0	49	-1.0	-46.23	386.76	6.36	-39.87
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC(F)=C2)=N1	REAL300025582336	0	37	-1.0	-54.54	328.44	2.92	-51.62
CS(=O)(=O)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CS1	REAL300025582337	0	30	-1.0	-52.41	290.11	-0.96	-53.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CSC=C2)=NO1	REAL300025582338	0	33	-1.0	-44.85	314.01	2.23	-42.62
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)NCCC1=NC(=O)O[N-]1	REAL300025582339	0	35	-1.0	-50.13	322.38	3.17	-46.96
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025582340	0	53	-1.0	-51.82	411.49	2.64	-49.18
CC(C)(C)OC(=O)N1CCC2=C(C=CO2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582341	0	48	-1.0	-55.65	387.09	3.29	-52.36
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582342	0	45	-1.0	-44.34	364.23	-1.33	-45.67
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025582343	0	36	-1.0	-44.74	320.16	3.94	-40.80
CC1=CC=C2SC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=C1	REAL300025582344	0	35	-1.0	-47.33	312.89	3.73	-43.60
O=C(CC1=CC=C(C2CCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025582345	0	40	-1.0	-46.95	333.69	4.81	-42.14
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)(F)F)OC2=CC=CC=C21	REAL300025582346	0	33	-1.0	-45.84	314.02	2.92	-42.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CC=C2)=N1	REAL300025582347	0	35	-1.0	-44.37	315.07	2.90	-41.47
CC(C)(C)OC(=O)N1CCOC2C(C(=O)NCCC3=NC(=O)O[N-]3)C21	REAL300025582348	0	46	-1.0	-47.04	369.81	1.66	-45.38
COC[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582349	0	47	-1.0	-51.13	386.24	-0.57	-51.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CNC(=O)NC2=C1	REAL300025582350	0	34	-1.0	-53.22	297.61	-1.39	-54.61
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=CC=N1)CC2	REAL300025582351	0	40	-1.0	-50.92	331.77	3.39	-47.53
CC(C)(C)OC(=O)N1CCCC2C(C(=O)NCCC3=NC(=O)O[N-]3)C21	REAL300025582352	0	48	-1.0	-51.35	372.87	3.91	-47.44
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025582353	0	44	-1.0	-43.79	357.80	0.54	-43.25
COC(=O)C[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582354	0	49	-1.0	-49.72	400.78	1.20	-48.52
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025582355	0	49	-1.0	-51.05	398.10	0.79	-50.26
CC1=NSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1NC(=O)OC(C)(C)C	REAL300025582356	0	43	-1.0	-44.84	369.38	0.33	-44.51
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582357	0	50	-1.0	-50.29	391.38	2.52	-47.77
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=C(Br)C=CC2=N1	REAL300025582358	0	29	-1.0	-48.76	290.68	1.71	-47.05
COC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582359	0	51	-1.0	-46.26	421.56	1.73	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(COC2=CC=CC=C2)=N1	REAL300025582360	0	37	-1.0	-46.82	342.36	1.86	-44.96
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582361	0	46	-1.0	-47.20	391.54	-1.85	-49.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C(F)=C2N1	REAL300025582362	0	31	-1.0	-43.55	304.02	2.12	-41.43
CC1=C(Cl)C=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025582363	0	34	-1.0	-44.01	312.39	2.56	-41.45
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N(C)C2=C1	REAL300025582364	0	38	-1.0	-47.31	324.34	2.38	-44.93
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-]	REAL300025582365	0	31	-1.0	-58.21	301.49	2.42	-55.79
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCCC1	REAL300025582366	0	59	-1.0	-52.15	436.72	3.76	-48.39
CC(C)(C)OC(=O)NC1CCN2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025582367	0	51	-1.0	-48.35	412.99	0.74	-47.61
NC(=O)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=CC=C21	REAL300025582368	0	38	-1.0	-50.87	332.44	-1.05	-51.92
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025582369	0	30	-1.0	-43.98	284.67	0.09	-43.89
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582370	0	53	-1.0	-44.85	397.08	3.25	-41.60
O=C(COCCC1=CC=C(Cl)S1)NCCC1=NC(=O)O[N-]1	REAL300025582371	0	34	-1.0	-48.36	331.17	3.09	-45.27
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582372	0	44	-1.0	-45.36	379.78	5.95	-39.41
CC1=CC=C(C)C(C(C(=O)NCCC2=NC(=O)O[N-]2)C(C)C)=C1	REAL300025582373	0	45	-1.0	-46.60	357.59	5.49	-41.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)ON=C1C1=CC=CC=C1	REAL300025582374	0	46	-1.0	-44.82	388.43	6.15	-38.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOC2)S1	REAL300025582375	0	34	-1.0	-46.23	307.65	-0.42	-46.65
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)NCCC1=NC(=O)O[N-]1	REAL300025582376	0	37	-1.0	-53.43	336.55	2.43	-51.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=CS1	REAL300025582377	0	34	-1.0	-46.45	317.72	4.08	-42.37
CC1=CC(Br)=CC(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582378	0	36	-1.0	-46.87	323.31	3.85	-43.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=CC=C(Br)C2=N1	REAL300025582379	0	30	-1.0	-49.47	295.09	2.57	-46.90
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2	REAL300025582380	0	41	-1.0	-46.97	333.04	4.97	-42.00
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582381	0	46	-1.0	-48.18	386.24	0.19	-47.99
CCN1N=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582382	0	30	-1.0	-43.54	291.98	0.65	-42.89
CCN1C=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025582383	0	30	-1.0	-48.07	289.48	0.81	-47.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCCC(=O)N2)C=C1	REAL300025582384	0	41	-1.0	-50.59	344.30	1.94	-48.65
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)NCCC1=NC(=O)O[N-]1	REAL300025582385	0	40	-1.0	-51.78	352.17	3.87	-47.91
CC1=C(C)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2N=N1	REAL300025582386	0	37	-1.0	-47.85	314.78	1.88	-45.97
CC1OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1C	REAL300025582387	0	38	-1.0	-46.69	316.71	2.64	-44.05
CN1C=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=CC1=O	REAL300025582388	0	33	-1.0	-46.79	302.04	1.07	-45.72
CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025582389	0	50	-1.0	-50.27	415.17	0.08	-50.19
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582390	0	43	-1.0	-45.56	356.44	0.03	-45.53
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CNC(=O)OC(C)(C)C)=N1	REAL300025582391	0	46	-1.0	-45.39	395.92	-0.19	-45.58
COC1=CC=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=C1	REAL300025582392	0	38	-1.0	-51.46	329.27	1.56	-49.90
O=C(CCC1=CC=C(Cl)C=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025582393	0	33	-1.0	-44.71	323.29	4.01	-40.70
CC(C)(C)OC(=O)NCC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCOC1	REAL300025582394	0	51	-1.0	-49.37	396.38	0.73	-48.64
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582395	0	53	-1.0	-54.87	406.70	3.65	-51.22
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC(C)(C)C1	REAL300025582396	0	53	-1.0	-49.75	405.97	2.95	-46.80
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582397	0	50	-1.0	-44.44	380.19	1.85	-42.59
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=NO1	REAL300025582398	0	42	-1.0	-44.74	364.91	4.58	-40.16
CC1=CC=CC=C1C(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025582399	0	46	-1.0	-45.96	360.13	6.30	-39.66
NS(=O)(=O)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582400	0	32	-1.0	-50.17	318.75	-2.89	-53.06
O=C(CCC1=C2CCCCC2=NN1)NCCC1=NC(=O)O[N-]1	REAL300025582401	0	40	-1.0	-46.40	331.96	1.76	-44.64
O=C(CCC1=NNC2=C1CCCC2)NCCC1=NC(=O)O[N-]1	REAL300025582401	1	40	-1.0	-48.05	332.00	1.75	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C2=CC=CN=C2C(Cl)=C1	REAL300025582402	0	32	-1.0	-48.48	304.14	2.58	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300025582403	0	33	-1.0	-47.91	306.45	-0.72	-48.63
CC1=C(OC(F)(F)F)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582404	0	34	-1.0	-44.94	303.86	2.09	-42.85
CC(C)(C)OC(=O)N1C2C(CCC1C(=O)NCCC1=NC(=O)O[N-]1)C2(F)F	REAL300025582405	0	48	-1.0	-47.74	379.96	4.23	-43.51
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)CO2	REAL300025582406	0	49	-1.0	-47.46	400.22	-0.55	-48.01
COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582407	0	48	-1.0	-47.40	389.16	-0.50	-47.90
CC1=CC(Br)=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582408	0	29	-1.0	-41.56	277.90	1.10	-40.46
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025582409	0	36	-1.0	-45.34	322.58	3.76	-41.58
COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025582410	0	33	-1.0	-45.58	308.04	-0.65	-46.23
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582411	0	53	-1.0	-52.54	403.42	2.11	-50.43
CC(C)(C)OC(=O)N1CCCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582412	0	53	-1.0	-46.90	413.14	4.22	-42.68
CC(C)(C)OC(=O)NCC(CC(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL300025582413	0	53	-1.0	-51.37	414.74	2.44	-48.93
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H](C(F)F)C1	REAL300025582414	0	47	-1.0	-48.53	386.34	2.33	-46.20
CC(C)(C)OC(=O)NC1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582415	0	48	-1.0	-49.74	383.71	0.84	-48.90
COCCC1=NC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)=NO1	REAL300025582416	0	42	-1.0	-47.97	370.66	0.70	-47.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC2CC(=O)C2)N=N1	REAL300025582417	0	35	-1.0	-51.48	316.60	-0.14	-51.62
CC(C)(C)OC(=O)N1CCN2C=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025582418	0	48	-1.0	-55.33	391.36	3.11	-52.22
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCCC1	REAL300025582419	0	59	-1.0	-52.71	452.33	4.10	-48.61
CC(C)(C)OC(=O)NC(CC1CCCCO1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582420	0	54	-1.0	-43.86	414.80	1.34	-42.52
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582421	0	48	-1.0	-48.83	399.38	4.44	-44.39
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)F	REAL300025582422	0	32	-1.0	-49.49	302.17	1.09	-48.40
CC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1(F)F	REAL300025582423	0	37	-1.0	-47.96	321.13	4.15	-43.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Cl)S2)S1	REAL300025582424	0	27	-1.0	-42.42	289.60	2.65	-39.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2)N=C1Cl	REAL300025582425	0	36	-1.0	-48.53	314.00	2.67	-45.86
COC(=O)C1CC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025582426	0	40	-1.0	-50.26	338.28	3.02	-47.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300025582427	0	30	-1.0	-45.32	295.11	2.95	-42.37
O=C(CCN1CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025582428	0	38	-1.0	-53.50	332.78	2.40	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1	REAL300025582429	0	39	-1.0	-55.47	352.61	3.56	-51.91
CC(=O)NC1=CN=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582430	0	36	-1.0	-49.54	310.84	-0.67	-50.21
CC1CCCN2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CN=C12	REAL300025582431	0	40	-1.0	-53.59	331.15	2.76	-50.83
CC1=CC(C)=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CN21	REAL300025582432	0	36	-1.0	-60.43	313.84	3.39	-57.04
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(Cl)S1	REAL300025582433	0	32	-1.0	-42.38	305.44	1.20	-41.18
O=C(CCC1=CC=C2OCC(=O)NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025582434	0	39	-1.0	-49.32	340.08	0.24	-49.08
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582435	0	49	-1.0	-53.53	405.67	2.38	-51.15
CC1=CC=CN=C1CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582436	0	52	-1.0	-47.36	409.11	1.24	-46.12
CC(CCNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582437	0	46	-1.0	-47.61	372.10	0.31	-47.30
CC(C)(C)OC(=O)NC(CCC1=CC=NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582438	0	52	-1.0	-57.12	422.63	2.64	-54.48
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(CCC2)C1	REAL300025582439	0	51	-1.0	-51.76	402.46	3.29	-48.47
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582440	0	50	-1.0	-55.24	397.46	3.14	-52.10
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025582441	0	54	-1.0	-51.50	414.35	1.10	-50.40
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)N(C)C(=O)OC(C)(C)C	REAL300025582442	0	43	-1.0	-47.37	347.47	1.60	-45.77
CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582443	0	54	-1.0	-54.11	430.03	2.01	-52.10
CN(C(=O)OC(C)(C)C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582444	0	44	-1.0	-51.52	360.89	1.94	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300025582445	0	40	-1.0	-41.31	352.48	4.24	-37.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C=C2OC1	REAL300025582446	0	33	-1.0	-45.09	305.88	2.58	-42.51
CS(=O)(=O)C1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582447	0	36	-1.0	-54.39	312.06	-1.41	-55.80
CC1=CC=CC=C1C(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025582448	0	49	-1.0	-44.81	380.16	6.36	-38.45
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=CC=C2)CCC2=CC=CC=C21	REAL300025582449	0	47	-1.0	-47.58	382.20	7.47	-40.11
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025582450	0	47	0.0	-70.23	373.02	5.46	-64.77
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025582450	1	47	0.0	-70.80	373.29	5.42	-65.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1Br	REAL300025582451	0	27	-1.0	-48.02	278.52	2.71	-45.31
COC1=CC=CC=C1C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NO1	REAL300025582452	0	37	-1.0	-47.16	326.67	2.05	-45.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(C3=CC=CC=C3)C=C2)=NO1	REAL300025582453	0	46	-1.0	-46.61	397.25	6.63	-39.98
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(CC2=CC=CC=C2)=NO1	REAL300025582454	0	39	-1.0	-43.80	347.63	4.20	-39.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(F)C(Br)=CC=C2N1	REAL300025582455	0	31	-1.0	-47.30	304.12	2.14	-45.16
COC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025582456	0	38	-1.0	-46.16	327.24	1.40	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)C(F)=C2N1	REAL300025582457	0	31	-1.0	-43.81	299.61	2.02	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2(F)COC2)C=C1	REAL300025582458	0	35	-1.0	-48.42	305.64	1.38	-47.04
CC1=C(Cl)C2=NC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025582459	0	35	-1.0	-46.98	314.09	3.10	-43.88
O=C(CN1C=CC2=CC=C(Br)C=C21)NCCC1=NC(=O)O[N-]1	REAL300025582460	0	34	-1.0	-50.78	322.36	4.30	-46.48
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2(CCOCC2)C1	REAL300025582461	0	42	-1.0	-47.01	325.93	0.12	-46.89
CCC1=NN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)C2=CC3=C(C=CS3)N21	REAL300025582462	0	42	-1.0	-57.99	377.33	4.18	-53.81
COC1=NN2C(=NN=C2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582463	0	38	-1.0	-51.14	338.80	-0.22	-51.36
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025582464	0	32	-2.0	-84.46	296.75	1.99	-82.47
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582465	0	49	-1.0	-44.07	388.51	1.32	-42.75
CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582466	0	49	-1.0	-46.22	391.86	0.48	-45.74
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)S1	REAL300025582467	0	27	-1.0	-42.64	273.18	1.97	-40.67
CC(C)(C)OC(=O)NC(CC1CC=CCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582468	0	54	-1.0	-52.76	419.04	3.76	-49.00
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CCOC1	REAL300025582469	0	51	-1.0	-48.10	399.33	0.65	-47.45
COC1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)OC2=C1	REAL300025582470	0	37	-1.0	-44.00	324.88	1.87	-42.13
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582471	0	53	-1.0	-52.91	410.76	4.43	-48.48
CC1=NC=C2C(=N1)CN(C(=O)OC(C)(C)C)C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582472	0	49	-1.0	-52.76	402.28	2.58	-50.18
CCC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL300025582473	0	42	-1.0	-46.17	342.16	4.84	-41.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL300025582474	0	32	-1.0	-49.67	290.73	1.31	-48.36
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1NC(=O)CCC2	REAL300025582475	0	35	-1.0	-53.94	303.35	-0.80	-54.74
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300025582476	0	33	-1.0	-48.59	306.45	3.33	-45.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2N=C1Cl	REAL300025582477	0	32	-1.0	-50.75	297.23	2.37	-48.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2N=C1Cl	REAL300025582478	0	32	-1.0	-50.56	303.62	2.43	-48.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(F)C=C2NC1=O	REAL300025582479	0	33	-1.0	-47.69	298.82	0.96	-46.73
O=C(CCC1=NN=C(C2CC2)N1C1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025582480	0	46	-1.0	-50.03	395.44	6.67	-43.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=CC=C(F)C=C21	REAL300025582481	0	32	-1.0	-51.51	286.42	2.11	-49.40
COC1=C(Br)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582482	0	31	-1.0	-48.62	292.90	2.79	-45.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C(Br)=CS2	REAL300025582483	0	27	-1.0	-43.25	294.02	2.66	-40.59
CC(C)OC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025582484	0	37	-1.0	-50.91	324.36	2.94	-47.97
O=C(CC1=CN=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582485	0	29	-1.0	-48.13	284.10	1.04	-47.09
COC1CC(C(=O)NCCC2=NC(=O)O[N-]2)(N(C)C(=O)OC(C)(C)C)C1	REAL300025582486	0	51	-1.0	-51.86	405.95	1.98	-49.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C=C(C3=CC=CC=C3)NC2=C1	REAL300025582487	0	41	-1.0	-48.62	351.95	5.10	-43.52
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1(C)C	REAL300025582488	0	54	-1.0	-50.13	403.65	1.37	-48.76
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)CC[C@H](O)C1	REAL300025582489	0	48	-1.0	-49.44	381.09	-2.36	-51.80
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582490	0	53	-1.0	-53.89	403.62	4.41	-49.48
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1(C)CC1	REAL300025582491	0	47	-1.0	-43.51	381.78	1.20	-42.31
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025582492	0	46	-1.0	-48.92	366.50	0.96	-47.96
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582493	0	54	-1.0	-50.81	410.19	4.24	-46.57
CN(C(=O)OC(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582494	0	53	-1.0	-47.71	423.71	5.67	-42.04
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582495	0	47	-1.0	-47.51	376.72	1.04	-46.47
O=C(NCCC1=NC(=O)O[N-]1)C1CCCCN1CC1=CC=CC(F)=C1	REAL300025582496	0	45	-1.0	-45.47	366.98	3.10	-42.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025582496	1	46	0.0	-61.20	359.11	5.02	-56.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025582496	1	46	0.0	-60.38	368.59	5.18	-55.20
CC(C)(C)OC(=O)N1CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582497	0	42	-1.0	-46.51	350.82	1.45	-45.06
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582498	0	56	-1.0	-43.26	419.71	2.72	-40.54
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582499	0	53	-1.0	-55.14	427.75	4.40	-50.74
CC(C)(C)OC(=O)NC(CCC1=CC=CC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582500	0	52	-1.0	-59.28	421.94	2.61	-56.67
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582501	0	46	-1.0	-56.51	387.84	2.44	-54.07
CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582502	0	45	-1.0	-47.04	362.90	2.42	-44.62
C=CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582503	0	44	-1.0	-44.29	358.88	0.32	-43.97
CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582504	0	53	-1.0	-55.16	427.75	4.40	-50.76
CC(C)(C)OC(=O)N1CC2=CNN=C2C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582505	0	48	-1.0	-50.08	388.79	1.21	-48.87
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582506	0	51	-1.0	-48.88	389.66	2.79	-46.09
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1CCCC1	REAL300025582507	0	56	-1.0	-51.40	426.99	3.23	-48.17
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582508	0	56	-1.0	-46.25	436.08	1.25	-45.00
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1C(F)(F)F	REAL300025582509	0	30	-1.0	-44.41	302.12	0.65	-43.76
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1Br	REAL300025582510	0	30	-1.0	-51.25	286.59	2.78	-48.47
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582511	0	47	-1.0	-45.88	372.14	2.45	-43.43
CC(C)(C)OC(=O)N[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025582512	0	53	-1.0	-43.24	405.06	2.43	-40.81
CC(C)(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582513	0	59	-1.0	-47.93	448.84	4.31	-43.62
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582514	0	48	-1.0	-54.50	376.83	3.11	-51.39
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025582515	0	54	-1.0	-49.59	415.34	3.90	-45.69
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582516	0	50	-1.0	-55.21	391.70	3.44	-51.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2N=CC(=O)NC2=C1	REAL300025582517	0	32	-1.0	-48.31	289.82	-1.27	-49.58
O=C(NCCC1=NC(=O)O[N-]1)C1(SC2=CC=C(Br)C=C2)CC1	REAL300025582518	0	35	-1.0	-44.01	336.03	4.52	-39.49
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=CN=C1	REAL300025582519	0	37	-1.0	-46.78	316.18	0.63	-46.15
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025582520	0	54	-1.0	-50.08	411.41	4.62	-45.46
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025582521	0	51	-1.0	-47.34	403.29	3.61	-43.73
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582522	0	45	-1.0	-51.95	364.70	-0.81	-52.76
CC(C)(C)OC(=O)N1CCC2(CCOC2)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582523	0	55	-1.0	-51.54	412.94	2.14	-49.40
CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]2CCCC[C@@H]21	REAL300025582524	0	54	-1.0	-52.87	403.78	4.33	-48.54
COC1=CC=C(C(C(=O)NCCC2=NC(=O)O[N-]2)C2CCCCC2)C=C1	REAL300025582525	0	50	-1.0	-46.72	388.76	5.67	-41.05
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025582526	0	36	-1.0	-58.24	317.02	1.23	-57.01
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300025582527	0	37	-1.0	-41.97	313.82	3.32	-38.65
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CN(CC2=CC=CC=C2)N=C1	REAL300025582528	0	48	-1.0	-48.29	406.33	4.00	-44.29
CC1=NN(C2=CC=CC=C2)C(C)=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582529	0	51	-1.0	-49.75	416.40	4.73	-45.02
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=NN1C1=CC=C(F)C=C1	REAL300025582530	0	45	-1.0	-48.39	375.69	3.39	-45.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=CC=N2)C=C1	REAL300025582531	0	37	-1.0	-48.84	329.88	1.92	-46.92
CC1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN2C(C(F)F)=C1	REAL300025582532	0	35	-1.0	-55.21	322.08	1.83	-53.38
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=CC=CC=C1	REAL300025582533	0	51	-1.0	-54.63	384.14	4.58	-50.05
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1CCCC1	REAL300025582534	0	42	-1.0	-54.05	347.04	3.26	-50.79
CCC(C)C(=O)N1CSC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582535	0	41	-1.0	-53.55	339.81	2.69	-50.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CSCN1C(=O)C1=CNC2=CC=CC=C12	REAL300025582536	0	43	-1.0	-60.22	372.30	3.48	-56.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C1Cl)OCO2	REAL300025582537	0	30	-1.0	-45.57	281.83	0.72	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=C(C(F)(F)F)C=CC=C12	REAL300025582538	0	35	-1.0	-43.84	314.05	2.85	-40.99
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=NN1	REAL300025582539	0	24	-1.0	-44.31	244.26	-1.36	-45.67
CCCN1C(=O)CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H]1C1=CN=CN1C	REAL300025582540	0	50	-1.0	-52.65	402.76	3.83	-48.82
CC(C)(C)OC(=O)N1CC2(C1)SCCC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582541	0	49	-1.0	-50.38	402.90	2.86	-47.52
CC(C)(C)OC(=O)N1C[C@H](C2=CC=CC=C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582542	0	51	-1.0	-55.04	415.27	5.02	-50.02
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C2CCCCN21	REAL300025582543	0	43	-1.0	-48.91	340.55	3.18	-45.73
CC1=CC(C2CCC2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582544	0	39	-1.0	-44.18	320.43	2.97	-41.21
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C(=C1)N=CC=C2C(F)(F)F	REAL300025582545	0	32	-1.0	-50.15	308.72	1.21	-48.94
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CSCN1C(=O)C1=CC=CC=C1	REAL300025582546	0	39	-1.0	-55.86	340.22	3.48	-52.38
COC1=CC=CC2=C1CC(C(=O)NCCC1=NC(=O)O[N-]1)CO2	REAL300025582547	0	39	-1.0	-48.05	326.15	1.44	-46.61
CC(C)[C@@H]1C[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025582548	0	46	-1.0	-44.87	362.69	5.58	-39.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(Cl)=C2N1	REAL300025582549	0	31	-1.0	-44.18	314.80	2.57	-41.61
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1F	REAL300025582550	0	34	-1.0	-45.50	303.08	2.14	-43.36
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC=C1Cl	REAL300025582551	0	34	-1.0	-44.97	311.78	2.55	-42.42
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(COC2=CC=CC=C2)=N1	REAL300025582552	0	40	-1.0	-45.70	359.29	2.61	-43.09
CC1=CC=C(Br)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582553	0	30	-1.0	-47.24	293.40	2.58	-44.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC(C2=CC=CC=C2)=C1	REAL300025582554	0	36	-1.0	-44.18	332.21	3.85	-40.33
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2C(CC1)C2(F)F	REAL300025582555	0	37	-1.0	-50.93	296.33	3.00	-47.93
COCCOCCN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025582556	0	41	-1.0	-48.53	359.39	-0.55	-49.08
COCCOCCN1N=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582557	0	41	-1.0	-49.36	354.47	-0.60	-49.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CCC2=CC=CC=C2)C=C1	REAL300025582558	0	43	-1.0	-47.14	367.60	6.78	-40.36
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CCC(F)(F)F)C=C1	REAL300025582559	0	33	-1.0	-48.02	309.87	1.31	-46.71
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)C(F)(F)F)C=C1	REAL300025582560	0	33	-1.0	-46.12	307.46	3.32	-42.80
COC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582561	0	47	-1.0	-54.81	413.76	2.46	-52.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)N=C1	REAL300025582562	0	33	-1.0	-46.08	305.78	2.32	-43.76
O=C(NCCC1=NC(=O)O[N-]1)C(CC1CCCCC1)C1=CC=CC=C1	REAL300025582563	0	49	-1.0	-44.95	385.93	6.57	-38.38
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C1=CC=CC=C1Cl	REAL300025582564	0	39	-1.0	-47.77	330.50	4.30	-43.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2CCC2)C=C1	REAL300025582565	0	40	-1.0	-45.96	334.37	5.06	-40.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(OC(F)(F)F)=C1	REAL300025582566	0	31	-1.0	-47.32	295.49	1.41	-45.91
CN(C)C1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025582567	0	37	-1.0	-50.19	322.99	0.10	-50.09
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025582568	0	30	-1.0	-42.18	288.53	2.37	-39.81
CC(C)(C)OC(=O)NCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025582569	0	44	-1.0	-50.33	379.07	1.04	-49.29
CC1=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C	REAL300025582570	0	30	-1.0	-48.70	286.80	0.41	-48.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1F	REAL300025582571	0	30	-1.0	-51.07	289.10	2.60	-48.47
CC(=O)NCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025582572	0	46	-1.0	-55.73	351.64	1.30	-54.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Br	REAL300025582573	0	24	-1.0	-46.99	272.70	1.76	-45.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(Br)=C1F	REAL300025582574	0	26	-1.0	-49.97	263.90	0.35	-49.62
CC1=C(I)C(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C	REAL300025582575	0	30	-1.0	-47.70	292.29	0.87	-46.83
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=C(Br)C=CC2=NS1	REAL300025582576	0	29	-1.0	-46.29	295.39	2.08	-44.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C(F)F)N=C(C2CC2)O1	REAL300025582577	0	33	-1.0	-46.29	305.14	-0.42	-46.71
CS(C)(=O)=NC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025582578	0	33	-1.0	-62.68	313.79	-2.16	-64.84
O=C(NCCC1=NC(=O)O[N-]1)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300025582579	0	42	-1.0	-49.30	368.78	2.67	-46.63
CC(C)CC(=O)N1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582580	0	46	-1.0	-57.21	358.36	3.84	-53.37
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300025582581	0	36	-1.0	-55.53	307.90	-1.79	-57.32
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCCO2)CCOCC1	REAL300025582582	0	42	-1.0	-45.14	323.07	0.43	-44.71
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1	REAL300025582583	0	44	-1.0	-46.92	341.29	5.33	-41.59
O=C(CC1=CC(O)=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582584	0	31	-1.0	-49.28	300.25	-0.02	-49.30
O=C(CCCCC1=CC=CC(O)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582585	0	40	-1.0	-47.84	343.35	1.74	-46.10
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582586	0	48	-1.0	-53.00	393.17	2.05	-50.95
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1Br	REAL300025582587	0	34	-1.0	-47.11	323.86	3.32	-43.79
O=C(CN1CC(C(F)(F)F)CCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025582588	0	37	-1.0	-50.86	325.94	1.41	-49.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)S1	REAL300025582589	0	27	-1.0	-42.50	294.23	2.77	-39.73
CN1C(=O)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Br)=CC=C21	REAL300025582590	0	36	-1.0	-47.04	328.24	2.96	-44.08
CC(C)N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(I)=N1	REAL300025582591	0	33	-1.0	-49.01	313.22	1.56	-47.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OCCNC(=O)C2=C1	REAL300025582592	0	36	-1.0	-51.57	332.07	-0.57	-52.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(SC(Br)=C2)S1	REAL300025582593	0	27	-1.0	-42.24	294.45	2.75	-39.49
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300025582594	0	34	-1.0	-50.11	317.28	3.96	-46.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2CC2)C=C1	REAL300025582595	0	39	-1.0	-53.68	343.57	-0.49	-54.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300025582596	0	39	-1.0	-50.29	347.58	0.04	-50.25
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582597	0	41	-1.0	-60.36	360.25	-0.28	-60.64
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025582598	0	43	-1.0	-50.04	344.05	2.08	-47.96
CC1=CC(F)=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582599	0	30	-1.0	-41.73	286.34	2.87	-38.86
CC(C)(C)OC(=O)NC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1	REAL300025582600	0	50	-1.0	-53.30	418.91	3.69	-49.61
CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@H](C2CC2)C1	REAL300025582601	0	51	-1.0	-45.91	402.86	3.55	-42.36
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[C@H]1C1CCC1	REAL300025582602	0	57	-1.0	-44.03	423.77	4.48	-39.55
CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCCC1=NC(=O)O[N-]1)CCC2	REAL300025582603	0	51	-1.0	-51.22	388.67	4.30	-46.92
CC1=C(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C	REAL300025582604	0	50	-1.0	-48.99	405.01	0.81	-48.18
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582605	0	51	-1.0	-50.90	403.03	2.52	-48.38
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582606	0	48	-1.0	-44.49	380.95	5.83	-38.66
O=C(NCCC1=NC(=O)O[N-]1)C1CNC(=O)CC12CCOC2	REAL300025582607	0	39	-1.0	-50.41	308.06	-1.80	-52.21
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=C(Cl)C=C1	REAL300025582608	0	37	-1.0	-47.27	338.66	3.05	-44.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCCC2=C1	REAL300025582609	0	35	-1.0	-46.02	305.89	3.73	-42.29
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025582610	0	33	-1.0	-46.55	325.98	1.58	-44.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCCCC2=C1	REAL300025582611	0	38	-1.0	-45.43	322.93	4.33	-41.10
COC(=O)CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582612	0	39	-1.0	-49.41	341.65	3.79	-45.62
CC(C)=CCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025582613	0	40	-1.0	-45.07	342.15	4.95	-40.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Cl)S2)N1	REAL300025582614	0	28	-1.0	-43.93	284.20	1.16	-42.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(C2=CC=CN=C2)=N1	REAL300025582615	0	34	-1.0	-45.78	310.05	1.09	-44.69
CC1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)N2CC(F)(F)F)S1	REAL300025582616	0	37	-1.0	-45.86	346.67	4.25	-41.61
COC1(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CCOCC1	REAL300025582617	0	38	-1.0	-41.70	308.90	0.24	-41.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC1CC1	REAL300025582618	0	38	-1.0	-44.52	337.24	4.60	-39.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=C1	REAL300025582619	0	37	-1.0	-47.76	334.13	5.47	-42.29
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582620	0	51	-1.0	-48.14	407.73	5.89	-42.25
CC(C)(C)OC(=O)NCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CO1	REAL300025582621	0	44	-1.0	-50.78	371.45	0.09	-50.69
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)S2)N1	REAL300025582622	0	28	-1.0	-43.93	288.83	1.27	-42.66
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CC=C(F)C=C1)CC2	REAL300025582623	0	41	-1.0	-46.96	335.04	4.99	-41.97
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025582624	0	33	-1.0	-43.73	303.35	3.44	-40.29
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582625	0	54	-1.0	-47.04	422.22	4.13	-42.91
CCCC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025582626	0	33	-1.0	-43.92	319.57	3.45	-40.47
CSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025582627	0	31	-1.0	-47.48	302.60	3.09	-44.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CS2	REAL300025582628	0	28	-1.0	-43.85	288.62	1.16	-42.69
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=CC(F)=CC(F)=C12	REAL300025582629	0	30	-1.0	-52.04	281.80	2.01	-50.03
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(OCC2CC2)C=C1F	REAL300025582630	0	37	-1.0	-46.82	328.11	1.69	-45.13
CCN1C=C(OC2=CN=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=N1	REAL300025582631	0	39	-1.0	-47.88	345.55	-0.46	-48.34
COC1=CC=CC=C1N1C=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582632	0	38	-1.0	-48.36	335.99	3.33	-45.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)N=C1	REAL300025582633	0	39	-1.0	-45.11	328.95	0.26	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300025582634	0	42	-1.0	-44.35	357.63	3.29	-41.06
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Br)=C1C	REAL300025582635	0	33	-1.0	-44.18	299.72	3.26	-40.92
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025582636	0	31	-1.0	-47.66	299.23	2.81	-44.85
CC(C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1	REAL300025582637	0	46	-1.0	-47.14	380.08	4.92	-42.22
CC1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025582638	0	45	-1.0	-45.92	356.86	3.40	-42.52
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582639	0	38	-1.0	-47.08	321.08	0.59	-46.49
COC1=CC=C(C(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025582640	0	37	-1.0	-47.83	319.56	2.13	-45.70
COC(F)(F)C(F)(F)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582641	0	37	-1.0	-45.64	339.44	2.29	-43.35
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(F)C=C2)=N1	REAL300025582642	0	33	-1.0	-43.52	309.90	0.07	-43.45
O=C(COCC1=NC(C2CC2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025582643	0	36	-1.0	-56.39	325.36	-0.29	-56.68
CN1CCC2=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025582644	0	39	-1.0	-48.34	328.70	2.06	-46.28
O=C(CN1C=NC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582645	0	27	-1.0	-53.14	270.49	1.78	-51.36
CCS(=O)(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582646	0	38	-1.0	-50.41	338.17	-0.86	-51.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2S1	REAL300025582647	0	30	-1.0	-46.33	302.45	3.51	-42.82
CC(C)(C)OC(=O)NC(CC1=CC=CC(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582648	0	50	-1.0	-45.40	403.32	2.45	-42.95
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025582649	0	56	-1.0	-52.31	425.04	3.54	-48.77
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)N=C1	REAL300025582650	0	33	-1.0	-46.07	312.19	2.27	-43.80
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025582651	0	50	-1.0	-45.28	393.03	3.02	-42.26
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582652	0	53	-1.0	-51.20	408.98	2.80	-48.40
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582653	0	51	-1.0	-46.31	406.02	3.70	-42.61
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CCC1C1CCC1	REAL300025582654	0	57	-1.0	-50.99	418.19	4.70	-46.29
CC(C)(C)OC(=O)N1CCCC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582655	0	50	-1.0	-48.32	398.99	3.27	-45.05
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582656	0	45	-1.0	-45.79	372.92	2.51	-43.28
CC(C)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025582657	0	59	-1.0	-47.82	434.49	4.56	-43.26
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC(F)(F)C1	REAL300025582658	0	47	-1.0	-44.51	383.48	1.94	-42.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CN=C2)=NO1	REAL300025582659	0	32	-1.0	-43.53	296.98	0.76	-42.77
C=CCOCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025582660	0	55	-1.0	-47.72	440.24	3.26	-44.46
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582661	0	48	-1.0	-49.12	390.40	-0.70	-49.82
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582662	0	54	-1.0	-52.85	415.20	4.04	-48.81
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCCC1=NC(=O)O[N-]1)CCCCC2	REAL300025582663	0	57	-1.0	-53.54	433.96	4.61	-48.93
CC1=NN(C)C=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582664	0	50	-1.0	-47.06	407.83	0.95	-46.11
O=C(CC(C1=CC=CC=C1)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025582665	0	36	-1.0	-44.69	311.73	3.58	-41.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=NN1C1CCOC1	REAL300025582666	0	37	-1.0	-47.23	316.47	-1.35	-48.58
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1	REAL300025582667	0	43	-1.0	-49.25	362.97	4.91	-44.34
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(C(F)(F)F)C=C1)CC2	REAL300025582668	0	44	-1.0	-47.38	373.12	5.93	-41.45
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582669	0	50	-1.0	-51.16	411.94	0.84	-50.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=C(Cl)C=C2N1	REAL300025582670	0	31	-1.0	-44.35	314.77	2.58	-41.77
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=CC(Cl)=C1	REAL300025582671	0	34	-1.0	-43.98	314.58	2.62	-41.36
N#CCCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582672	0	41	-1.0	-54.07	361.64	3.76	-50.31
CN1C=CC(C(=O)NC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025582673	0	41	-1.0	-61.67	360.71	1.35	-60.32
C[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025582674	0	50	-1.0	-45.61	386.15	2.86	-42.75
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCSC1	REAL300025582675	0	48	-1.0	-44.02	385.98	1.92	-42.10
C[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025582676	0	50	-1.0	-45.25	392.98	3.01	-42.24
CC(C)(C)OC(=O)NCCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582677	0	44	-1.0	-53.01	378.96	0.35	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300025582678	0	37	-1.0	-46.31	331.95	4.37	-41.94
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300025582679	0	37	-1.0	-46.47	321.63	3.92	-42.55
O=C(CC1(N2C=NN=N2)CCSCC1)NCCC1=NC(=O)O[N-]1	REAL300025582680	0	39	-1.0	-48.85	321.94	1.71	-47.14
NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025582681	0	31	-1.0	-53.37	290.28	-1.16	-54.53
CN1N=CC=C1C1=NNC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582682	0	34	-1.0	-55.19	306.54	-0.86	-56.05
COC1=NC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025582683	0	30	-1.0	-48.64	286.29	-1.07	-49.71
CC(C)CC1=NN=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=CC=CN12	REAL300025582684	0	41	-1.0	-53.78	346.89	4.80	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC(F)(F)F)=N1	REAL300025582685	0	29	-1.0	-46.43	292.98	0.40	-46.03
CC(C)(C)OC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C12CCC2	REAL300025582686	0	50	-1.0	-45.19	388.86	4.12	-41.07
O=C(CC1CSC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025582687	0	39	-1.0	-54.11	336.62	3.47	-50.64
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(F)C=C12	REAL300025582688	0	30	-1.0	-48.74	284.82	2.00	-46.74
CCC1=CC=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)N=C21	REAL300025582689	0	38	-1.0	-45.98	328.50	3.54	-42.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2(C(F)(F)F)CC2)C=C1	REAL300025582690	0	37	-1.0	-46.03	330.54	4.44	-41.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=NC(C3CC3)=NS2)C=N1	REAL300025582691	0	36	-1.0	-44.47	340.24	4.05	-40.42
CC1(C)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C(F)(F)F	REAL300025582692	0	36	-1.0	-45.69	306.31	2.37	-43.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCNC2=O	REAL300025582693	0	35	-1.0	-48.84	302.85	0.01	-48.83
CCOC(=O)C1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025582694	0	32	-1.0	-46.52	309.70	0.25	-46.27
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300025582695	0	39	-1.0	-45.13	341.50	4.46	-40.67
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025582696	0	39	-1.0	-48.11	328.80	2.11	-46.00
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025582697	0	47	-1.0	-52.17	375.84	2.30	-49.87
CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL300025582698	0	47	-1.0	-52.25	378.76	1.58	-50.67
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582699	0	47	-1.0	-44.29	378.58	2.28	-42.01
CC(C)(C)OC(=O)N1CCC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025582700	0	57	-1.0	-48.93	432.36	4.33	-44.60
CC1=C(Br)C=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582701	0	30	-1.0	-50.94	289.69	0.67	-50.27
O=C(CSC1=CC=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025582702	0	31	-1.0	-49.54	305.65	3.24	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025582703	0	33	-1.0	-50.55	324.15	2.62	-47.93
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025582703	1	32	-2.0	-78.08	320.92	2.18	-75.90
O=C(CC1COCCN1CC(F)(F)F)NCCC1=NC(=O)O[N-]1	REAL300025582704	0	39	-1.0	-50.73	317.04	-1.92	-52.65
C=C(F)C1(CC(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025582705	0	48	-1.0	-54.65	392.79	2.67	-51.98
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2C1	REAL300025582706	0	51	-1.0	-50.43	409.21	4.73	-45.70
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025582707	0	53	-1.0	-47.25	407.81	3.43	-43.82
C[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025582708	0	50	-1.0	-45.32	388.04	3.04	-42.28
O=C(CN1C=C(C2CCOC2)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025582709	0	38	-1.0	-54.26	325.12	0.33	-53.93
CCC1=CC2=C(OCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582710	0	38	-1.0	-51.65	321.13	3.72	-47.93
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025582711	0	47	-1.0	-47.34	400.59	6.31	-41.03
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025582712	0	47	-1.0	-44.57	407.96	3.08	-41.49
C=CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025582713	0	54	-1.0	-46.51	408.13	3.68	-42.83
CC(C)(C)OC(=O)N1CC2(CCCC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582714	0	54	-1.0	-53.35	419.70	4.12	-49.23
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582715	0	54	-1.0	-55.29	409.23	3.84	-51.45
CC(C)(C)OC(=O)N(CCC(F)(F)F)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582716	0	46	-1.0	-50.37	389.56	3.31	-47.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2C=C(Cl)C=N2)C=C1	REAL300025582717	0	37	-1.0	-51.24	344.15	3.70	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CS1	REAL300025582718	0	27	-1.0	-45.37	275.31	1.57	-43.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC2CC2)=C1	REAL300025582719	0	38	-1.0	-49.24	326.31	3.34	-45.90
CSC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025582720	0	31	-1.0	-47.74	295.86	3.06	-44.68
CC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025582721	0	30	-1.0	-43.02	296.76	3.15	-39.87
CC(C)(C)OC(=O)N1CC2(CCC2)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582722	0	54	-1.0	-54.07	411.34	4.61	-49.46
CC(C)(C)OC(=O)NCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC=C1	REAL300025582723	0	44	-1.0	-50.14	372.45	-0.03	-50.17
CC1CCC(C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025582724	0	50	-1.0	-53.81	388.24	3.59	-50.22
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC(C(F)F)=NC2=CC=C1	REAL300025582725	0	32	-1.0	-52.50	307.70	1.96	-50.54
CC(C)(C)OC(=O)N1C[C@@H](CC2CC2)[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582726	0	54	-1.0	-48.54	429.71	4.32	-44.22
COC1C(F)CCC(C(=O)NCCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025582727	0	51	-1.0	-49.36	402.82	2.48	-46.88
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC2CCC1C2	REAL300025582728	0	54	-1.0	-46.57	410.29	4.20	-42.37
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582729	0	49	-1.0	-42.23	372.56	1.15	-41.08
CC1=NC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025582730	0	38	-1.0	-47.22	319.08	1.86	-45.36
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025582731	0	33	-1.0	-48.35	308.63	1.98	-46.37
CCC1=NC=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025582732	0	41	-1.0	-47.11	340.65	2.46	-44.65
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582733	0	46	-1.0	-53.43	386.81	0.17	-53.26
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582734	0	47	-1.0	-46.85	379.71	2.20	-44.65
C=CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025582735	0	57	-1.0	-47.64	427.40	5.42	-42.22
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582736	0	51	-1.0	-53.73	404.80	3.64	-50.09
CC1=CC(C)=CC(C(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582737	0	53	-1.0	-45.14	434.08	3.88	-41.26
CC1=CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)N=C1	REAL300025582738	0	40	-1.0	-51.55	348.96	3.87	-47.68
O=C(CCC1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025582739	0	30	-1.0	-44.36	301.23	2.84	-41.52
CN1N=CC2=C1CCN(C(=O)OC(C)(C)C)C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582740	0	51	-1.0	-59.09	407.87	2.76	-56.33
C[C@@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025582741	0	50	-1.0	-47.30	388.57	3.15	-44.15
CC(C)(C)OC(=O)NC1CCC2(CC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582742	0	54	-1.0	-46.48	421.04	3.57	-42.91
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C(F)F)C1	REAL300025582743	0	47	-1.0	-51.36	388.78	1.23	-50.13
CN1C=CC(C23CC(CC2)C3C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025582744	0	41	-1.0	-53.04	335.13	3.17	-49.87
COC1=CC=C(Br)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582745	0	31	-1.0	-49.83	303.08	1.39	-48.44
CC1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)N2CC2CC2)S1	REAL300025582746	0	41	-1.0	-44.56	359.10	5.41	-39.15
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582747	0	51	-1.0	-44.49	400.96	0.45	-44.04
COC1=CN=C(C(F)(F)F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582748	0	33	-1.0	-46.65	305.68	1.29	-45.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=CS2)N1CC(F)(F)F	REAL300025582749	0	34	-1.0	-45.79	324.16	3.44	-42.35
CC1(C)CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025582750	0	42	-1.0	-48.15	349.64	3.56	-44.59
O=C(CC(C1=CC=CC=C1F)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025582751	0	36	-1.0	-47.28	316.49	3.56	-43.72
O=C(COC1=CC=CC=C1C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025582752	0	34	-1.0	-52.87	306.82	3.09	-49.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL300025582753	0	34	-1.0	-51.15	303.15	3.74	-47.41
CCOC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=NC=C1	REAL300025582754	0	36	-1.0	-48.07	328.64	1.32	-46.75
CC1=NC(C2CCOCC2)=NC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582755	0	42	-1.0	-44.08	345.43	0.89	-43.19
COC(=O)CC[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582756	0	52	-1.0	-48.32	422.71	1.79	-46.53
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582757	0	48	-1.0	-54.45	385.88	3.20	-51.25
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025582758	0	52	-1.0	-48.29	418.72	4.37	-43.92
O=C(NCCC1=NC(=O)O[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL300025582759	0	37	-1.0	-46.48	315.43	2.30	-44.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC1)COCCO2	REAL300025582760	0	42	-1.0	-48.56	327.86	0.83	-47.73
CC(C)(C)OC(=O)N1CCC2(C(=O)NCCC3=NC(=O)O[N-]3)CCCCCC12	REAL300025582761	0	57	-1.0	-43.82	408.41	5.42	-38.40
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCCC1	REAL300025582762	0	53	-1.0	-49.87	395.14	3.24	-46.63
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582763	0	53	-1.0	-48.95	414.49	2.33	-46.62
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)C1	REAL300025582764	0	51	-1.0	-50.09	411.81	3.75	-46.34
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582765	0	56	-1.0	-46.90	417.53	3.97	-42.93
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300025582766	0	38	-1.0	-43.84	321.78	4.23	-39.61
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300025582767	0	33	-1.0	-55.82	304.60	-5.36	-61.18
CC(C)(C)OC(=O)NCC1(C2=NOC=C2C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582768	0	50	-1.0	-52.01	417.10	1.43	-50.58
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582769	0	51	-1.0	-55.73	387.50	3.99	-51.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL300025582770	0	35	-1.0	-50.61	305.04	-1.13	-51.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL300025582771	0	28	-1.0	-45.04	279.18	0.27	-44.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL300025582772	0	37	-1.0	-53.52	330.20	1.30	-52.22
CC1=C(Cl)C=C(Br)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582773	0	30	-1.0	-41.66	294.50	3.25	-38.41
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL300025582774	0	34	-1.0	-55.12	298.51	-0.36	-55.48
CC(C)C1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025582775	0	36	-1.0	-47.24	332.52	2.71	-44.53
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025582776	0	33	-1.0	-47.53	312.25	2.12	-45.41
CC1(C)CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025582777	0	42	-1.0	-48.15	349.64	3.56	-44.59
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300025582778	0	41	-1.0	-44.83	344.58	3.68	-41.15
CC1=CC(C)=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025582779	0	37	-1.0	-45.58	319.65	2.79	-42.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2CCOCC2)=NN1	REAL300025582780	0	38	-1.0	-45.24	319.70	-0.63	-45.87
CC(C)(C)OC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025582781	0	45	-1.0	-44.54	354.64	3.94	-40.60
COC1=CC=C(N2N=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025582782	0	47	-1.0	-45.89	379.72	3.53	-42.36
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL300025582783	0	33	-1.0	-45.98	295.47	1.64	-44.34
O=C(CCN1C=CC2=CC=CN=C21)NCCC1=NC(=O)O[N-]1	REAL300025582784	0	36	-1.0	-48.91	317.06	3.39	-45.52
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025582785	0	36	-1.0	-47.40	349.94	4.25	-43.15
COC1=CC=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=N1	REAL300025582786	0	34	-1.0	-45.39	303.96	-0.76	-46.15
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C)S1	REAL300025582787	0	33	-1.0	-45.40	307.38	2.00	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300025582788	0	30	-1.0	-54.15	290.39	1.85	-52.30
COC(=O)C1=CC2=C(SC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)S1	REAL300025582789	0	33	-1.0	-45.34	328.47	2.76	-42.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300025582790	0	36	-1.0	-53.45	333.25	2.02	-51.43
O=C(CSC1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582791	0	31	-1.0	-48.13	303.18	3.19	-44.94
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1I	REAL300025582792	0	31	-1.0	-44.97	299.45	1.98	-42.99
COCC1=CN=C(OC)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582793	0	37	-1.0	-50.42	323.43	-0.79	-51.21
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582794	0	40	-1.0	-45.73	343.51	4.89	-40.84
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025582795	0	36	-1.0	-42.20	335.06	4.00	-38.20
COC1=CC=C(C(C)=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582796	0	38	-1.0	-45.09	327.26	2.85	-42.24
CC1(C)OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025582797	0	36	-1.0	-48.59	311.47	1.82	-46.77
COC1=CC=C(C(CC(=O)NCCC2=NC(=O)O[N-]2)C(F)F)C=C1	REAL300025582798	0	40	-1.0	-45.71	341.21	2.88	-42.83
COC1=CC2=C(OCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582799	0	36	-1.0	-51.06	307.73	1.59	-49.47
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300025582800	0	36	-1.0	-45.51	335.68	3.15	-42.36
CC1=CSC2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CN=C12	REAL300025582801	0	31	-1.0	-44.25	291.91	1.55	-42.70
O=C(NCCC1=NC(=O)O[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300025582802	0	41	-1.0	-48.32	346.12	1.81	-46.51
CC(C)(C)OC(=O)NC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1	REAL300025582803	0	44	-1.0	-59.53	369.82	-0.22	-59.75
CC1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1I	REAL300025582804	0	30	-1.0	-43.38	288.99	3.21	-40.17
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582805	0	48	-1.0	-54.94	393.08	2.07	-52.87
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582806	0	47	-1.0	-46.19	376.98	0.95	-45.24
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582807	0	47	-1.0	-45.20	386.61	1.52	-43.68
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582808	0	50	-1.0	-48.93	403.67	1.85	-47.08
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582809	0	61	-1.0	-50.18	484.92	4.46	-45.72
CC(C)(C)OC(=O)NCCOCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582810	0	47	-1.0	-47.80	389.89	-0.87	-48.67
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300025582811	0	36	-2.0	-99.12	329.28	1.58	-97.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300025582811	1	36	-2.0	-95.59	329.37	1.64	-93.95
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(F)C=C21	REAL300025582812	0	34	-1.0	-45.12	301.08	2.23	-42.89
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582813	0	34	-1.0	-46.97	303.19	3.42	-43.55
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300025582814	0	38	-1.0	-44.21	340.69	1.94	-42.27
COC(=O)C1=CC(OC)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025582815	0	37	-1.0	-50.94	335.80	1.89	-49.05
COC(=O)C1=CC=C(F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025582816	0	36	-1.0	-48.49	322.01	2.50	-45.99
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025582817	0	36	-1.0	-48.67	309.89	1.43	-47.24
CS(=O)(=O)N1CCC(OCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582818	0	42	-1.0	-54.72	359.23	-1.35	-56.07
CC1=CN(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)N=C1	REAL300025582819	0	37	-1.0	-56.00	323.57	3.41	-52.59
CC(CC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582820	0	36	-1.0	-45.95	317.45	3.62	-42.33
N#CC1=CC=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582821	0	38	-1.0	-49.62	341.19	5.26	-44.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL300025582822	0	33	-1.0	-47.85	291.20	3.88	-43.97
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Br	REAL300025582823	0	30	-1.0	-50.78	307.45	1.30	-49.48
O=C(CCC1=CSC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025582824	0	30	-1.0	-44.46	300.99	2.69	-41.77
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300025582825	0	44	-1.0	-48.19	373.46	5.04	-43.15
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl	REAL300025582826	0	34	-1.0	-48.00	331.38	4.60	-43.40
CCOC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025582827	0	41	-1.0	-46.68	346.08	2.36	-44.32
CCC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025582828	0	40	-1.0	-45.22	337.53	3.60	-41.62
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(C)=CC(C)=C21	REAL300025582829	0	40	-1.0	-45.39	330.68	3.28	-42.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300025582830	0	43	-1.0	-45.01	354.70	4.07	-40.94
CC1=CC(CC2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CC=C1F	REAL300025582831	0	40	-1.0	-49.85	347.41	4.88	-44.97
CC1=CC(F)=CC=C1CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582832	0	40	-1.0	-49.84	337.80	4.55	-45.29
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300025582833	0	40	-1.0	-50.09	328.00	4.41	-45.68
C#CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025582834	0	52	-1.0	-48.04	403.34	4.27	-43.77
COC(=O)C1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025582835	0	36	-1.0	-53.57	333.25	3.47	-50.10
COC(=O)C1=NC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582836	0	38	-1.0	-51.67	331.05	1.63	-50.04
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582837	0	47	-1.0	-63.11	386.49	-0.93	-64.04
CN1C=C2C(=N1)CCN(C(=O)OC(C)(C)C)C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582838	0	51	-1.0	-56.58	409.16	2.89	-53.69
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCCC1=NC(=O)O[N-]1)CCOCC2	REAL300025582839	0	55	-1.0	-53.72	425.56	2.24	-51.48
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)C(C)(C)O2	REAL300025582840	0	55	-1.0	-47.64	431.70	0.60	-47.04
CC12CC3(C)CC(O)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C2)C3	REAL300025582841	0	48	-1.0	-46.25	359.19	1.11	-45.14
CC(C)(C)OC(=O)NOC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582842	0	51	-1.0	-55.09	422.30	4.83	-50.26
CC(C)(C)OC(=O)NCC1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582843	0	47	-1.0	-48.63	381.57	0.89	-47.74
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025582844	0	49	-1.0	-49.13	395.07	3.04	-46.09
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582845	0	34	-1.0	-46.97	303.19	3.42	-43.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300025582846	0	33	-1.0	-45.53	306.50	2.66	-42.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=CC=CN=C12	REAL300025582847	0	32	-1.0	-52.02	300.83	2.86	-49.16
CSC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025582848	0	34	-1.0	-44.67	323.20	3.97	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300025582849	0	33	-1.0	-56.74	306.83	1.59	-55.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL300025582850	0	33	-1.0	-46.77	297.48	1.35	-45.42
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025582851	0	40	-1.0	-45.71	348.76	3.23	-42.48
CC1(C)C(C(=O)NCCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL300025582852	0	36	-1.0	-54.19	302.61	-1.47	-55.66
O=C(CCCCN1C(=O)CCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025582853	0	39	-1.0	-54.13	337.66	1.26	-52.87
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C1=CC=C(F)C=C1	REAL300025582854	0	39	-1.0	-47.52	324.95	3.95	-43.57
O=C(CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025582855	0	48	-1.0	-52.47	411.03	5.54	-46.93
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=C(Br)C=CC=C2C1	REAL300025582856	0	35	-1.0	-44.71	318.13	2.77	-41.94
CN1C=CC(N2C=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025582857	0	34	-1.0	-53.65	310.46	2.78	-50.87
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1F	REAL300025582858	0	36	-1.0	-50.63	324.95	1.73	-48.90
CCC1=NC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582859	0	38	-1.0	-47.04	319.38	3.27	-43.77
CCCN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025582860	0	47	-1.0	-51.23	383.02	4.39	-46.84
COC1=CC=C(F)C=C1CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582861	0	41	-1.0	-50.09	352.84	3.63	-46.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC2=C1OCO2	REAL300025582862	0	30	-1.0	-49.09	289.22	0.51	-48.58
O=C(NCCC1=NC(=O)O[N-]1)C12CC(F)(F)CC1CCCC2	REAL300025582863	0	40	-1.0	-47.99	312.95	3.42	-44.57
CC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025582864	0	36	-1.0	-42.93	323.44	3.20	-39.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300025582865	0	33	-1.0	-41.63	318.70	3.05	-38.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300025582866	0	33	-1.0	-44.28	314.38	3.21	-41.07
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025582867	0	47	-1.0	-47.27	380.67	0.81	-46.46
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025582868	0	52	-1.0	-47.09	418.11	0.07	-47.02
CC(C)(C)OC(=O)NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(Cl)=C1	REAL300025582869	0	41	-1.0	-43.00	367.85	1.59	-41.41
COC(=O)[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582870	0	46	-1.0	-53.66	387.69	0.55	-53.11
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC12CC2	REAL300025582871	0	54	-1.0	-47.62	417.05	4.15	-43.47
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025582872	0	48	-1.0	-47.31	398.93	1.73	-45.58
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300025582873	0	37	-1.0	-44.75	333.63	3.16	-41.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C(C)C=CC=C12	REAL300025582874	0	37	-1.0	-45.25	315.88	2.81	-42.44
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL300025582875	0	38	-1.0	-46.86	326.13	3.52	-43.34
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL300025582876	0	41	-1.0	-46.81	347.51	4.25	-42.56
CCC1=CN2C(=N1)C=CC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582877	0	36	-1.0	-51.94	309.84	3.26	-48.68
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300025582878	0	41	-1.0	-47.26	354.16	5.61	-41.65
CCOC(=O)C12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)OC2	REAL300025582879	0	38	-1.0	-44.40	330.00	0.69	-43.71
CC1(C)CC(CC(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)O1	REAL300025582880	0	46	-1.0	-45.87	353.74	2.74	-43.13
N#CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025582881	0	34	-1.0	-47.32	327.32	3.87	-43.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL300025582882	0	34	-1.0	-49.44	297.58	-1.38	-50.82
O=C(NCCC1=NC(=O)O[N-]1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300025582883	0	36	-1.0	-45.57	319.78	3.71	-41.86
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(F)=CC=C21	REAL300025582884	0	33	-1.0	-50.67	301.29	1.58	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL300025582885	0	31	-1.0	-56.33	292.01	-2.57	-58.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL300025582886	0	38	-1.0	-46.62	318.03	2.14	-44.48
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=C1Br	REAL300025582887	0	27	-1.0	-42.07	285.37	1.74	-40.33
CN1C=C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025582888	0	33	-1.0	-45.25	306.71	0.38	-44.87
C=CCNC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582889	0	38	-1.0	-50.88	334.01	1.24	-49.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300025582890	0	36	-1.0	-49.47	324.01	3.41	-46.06
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(C)=CC=C21	REAL300025582891	0	37	-1.0	-45.25	316.05	2.82	-42.43
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025582892	0	36	-1.0	-46.96	322.76	2.82	-44.14
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(Cl)=CC=C21	REAL300025582893	0	34	-1.0	-43.75	311.39	2.64	-41.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(F)=CC=C21	REAL300025582894	0	34	-1.0	-44.00	301.08	2.21	-41.79
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCC2	REAL300025582895	0	51	-1.0	-48.08	411.45	2.49	-45.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1F	REAL300025582896	0	27	-1.0	-46.67	275.44	2.30	-44.37
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582897	0	53	-1.0	-42.56	419.56	3.20	-39.36
C[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025582898	0	50	-1.0	-54.55	381.28	3.63	-50.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL300025582899	0	30	-1.0	-52.21	282.60	2.39	-49.82
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582900	0	51	-1.0	-45.20	394.86	2.19	-43.01
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582901	0	51	-1.0	-48.27	392.84	3.97	-44.30
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCO1	REAL300025582902	0	51	-1.0	-42.74	395.78	0.61	-42.13
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025582903	0	51	-1.0	-57.47	399.50	3.28	-54.19
CCC(CCC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025582904	0	49	-1.0	-46.09	389.52	1.41	-44.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC=CC2=C(F)C=C1	REAL300025582905	0	30	-1.0	-47.29	284.10	2.95	-44.34
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025582906	0	40	-1.0	-48.48	339.27	5.61	-42.87
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025582907	0	53	-1.0	-49.98	430.25	3.58	-46.40
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025582908	0	47	-1.0	-51.71	385.47	1.36	-50.35
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582909	0	40	-1.0	-45.68	333.52	5.63	-40.05
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C(Br)C=CC=C12	REAL300025582910	0	30	-1.0	-48.64	293.30	2.49	-46.15
COC1=CC(OC)=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582911	0	35	-1.0	-49.17	314.03	0.70	-48.47
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300025582912	0	37	-1.0	-49.10	343.48	4.93	-44.17
CC1(C)CCC(F)(F)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582913	0	39	-1.0	-42.69	304.84	2.73	-39.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300025582914	0	39	-1.0	-46.46	343.36	4.26	-42.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300025582915	0	37	-1.0	-48.92	331.84	4.36	-44.56
CC1=CC(C)=NC(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=N1	REAL300025582916	0	46	-1.0	-50.34	375.00	3.54	-46.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C(F)(F)F)S1	REAL300025582917	0	26	-1.0	-42.05	271.77	-0.15	-42.20
COC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2C=C1	REAL300025582918	0	34	-1.0	-50.71	299.57	-0.46	-51.17
COC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025582919	0	38	-1.0	-46.88	324.20	1.45	-45.43
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CSC=C1Br	REAL300025582920	0	26	-1.0	-40.74	272.82	0.94	-39.80
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025582921	0	36	-1.0	-45.00	318.55	3.60	-41.40
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300025582922	0	37	-1.0	-48.29	323.09	1.08	-47.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Cl	REAL300025582923	0	24	-1.0	-47.56	269.04	1.67	-45.89
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300025582924	0	40	-1.0	-45.04	310.53	2.56	-42.48
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL300025582925	0	37	-1.0	-42.29	297.07	2.89	-39.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL300025582926	0	33	-1.0	-46.93	294.03	3.22	-43.71
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300025582927	0	41	-1.0	-46.65	355.41	5.61	-41.04
CCN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025582928	0	46	-1.0	-48.19	372.12	2.49	-45.70
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC2CC21	REAL300025582929	0	51	-1.0	-50.01	392.04	2.12	-47.89
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CCN1C=CN=N1	REAL300025582930	0	32	-1.0	-49.01	295.88	-0.10	-49.11
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582931	0	33	-1.0	-40.92	297.85	2.78	-38.14
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CCN1C=CC=N1	REAL300025582932	0	33	-1.0	-45.66	302.08	1.13	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL300025582933	0	40	-1.0	-46.08	335.81	-1.28	-47.36
COC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025582934	0	31	-1.0	-47.05	297.64	1.59	-45.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1F	REAL300025582935	0	27	-1.0	-50.76	274.76	2.67	-48.09
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300025582936	0	33	-1.0	-52.05	293.03	3.85	-48.20
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025582937	0	41	-1.0	-54.26	346.13	5.21	-49.05
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300025582938	0	43	-1.0	-43.70	380.58	6.83	-36.87
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300025582939	0	49	-1.0	-44.74	378.78	6.81	-37.93
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL300025582940	0	43	-1.0	-44.91	331.76	4.80	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300025582941	0	33	-1.0	-47.11	303.01	3.22	-43.89
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025582942	0	40	-1.0	-44.67	348.75	3.24	-41.43
COC(=O)C1=CSC2=C1NC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025582943	0	34	-1.0	-47.65	323.30	1.19	-46.46
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)N2)S1	REAL300025582944	0	34	-1.0	-45.94	323.54	1.33	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CON=C1C1=CC=CC=C1	REAL300025582945	0	33	-1.0	-49.47	295.68	2.52	-46.95
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582946	0	50	-1.0	-50.17	415.83	2.68	-47.49
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025582947	0	50	-1.0	-47.25	394.73	1.60	-45.65
CC(C)(C)OC(=O)NCCC(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582948	0	43	-1.0	-48.57	362.20	-0.20	-48.77
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582949	0	41	-1.0	-47.47	341.66	5.06	-42.41
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582950	0	41	-1.0	-47.65	341.77	5.06	-42.59
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582951	0	41	-1.0	-51.53	364.32	3.18	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300025582952	0	40	-1.0	-47.93	349.30	0.74	-47.19
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025582953	0	36	-1.0	-46.91	318.96	3.60	-43.31
CN1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1C1CC1	REAL300025582954	0	37	-1.0	-57.20	328.81	1.98	-55.22
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300025582955	0	41	-1.0	-46.74	350.85	5.51	-41.23
CC1=CC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025582956	0	30	-1.0	-44.57	295.27	3.24	-41.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=CNC2=O	REAL300025582957	0	32	-1.0	-52.78	290.18	-1.01	-53.79
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL300025582958	0	36	-1.0	-49.11	311.26	3.26	-45.85
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582959	0	40	-1.0	-47.30	340.00	4.22	-43.08
COC1=CC=CC=C1N1N=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582960	0	38	-1.0	-47.34	330.32	2.21	-45.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300025582961	0	36	-1.0	-46.39	325.45	3.22	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1CCOCC12CCCCC2	REAL300025582962	0	44	-1.0	-46.97	326.27	2.18	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL300025582963	0	40	-1.0	-42.04	311.29	3.49	-38.55
CC(F)(F)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025582964	0	36	-1.0	-48.16	310.04	3.65	-44.51
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCOC1	REAL300025582965	0	38	-1.0	-43.97	312.80	2.41	-41.56
CC1=CC=C(C2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025582966	0	46	-1.0	-46.71	363.76	5.79	-40.92
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025582967	0	52	-1.0	-47.08	413.44	5.77	-41.31
O=C(CCCN1CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025582968	0	41	-1.0	-58.04	354.26	3.21	-54.83
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582969	0	39	-1.0	-58.19	351.64	4.70	-53.49
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582970	0	47	-1.0	-45.55	379.98	-1.03	-46.58
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025582971	0	50	-1.0	-47.61	396.63	0.23	-47.38
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025582972	0	54	-1.0	-51.60	422.00	3.35	-48.25
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300025582973	0	50	-1.0	-47.75	394.86	2.85	-44.90
CCC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025582974	0	39	-1.0	-50.65	324.54	1.41	-49.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300025582975	0	37	-1.0	-46.08	344.71	3.73	-42.35
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582976	0	49	-1.0	-49.02	390.52	5.72	-43.30
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582977	0	37	-1.0	-48.27	330.30	3.95	-44.32
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025582978	0	57	-1.0	-51.73	410.12	4.15	-47.58
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025582979	0	57	-1.0	-53.60	432.23	5.22	-48.38
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C2C1	REAL300025582980	0	35	-1.0	-44.29	319.17	2.68	-41.61
CC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025582981	0	40	-1.0	-49.49	335.76	4.07	-45.42
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025582982	0	40	-1.0	-52.48	339.98	-2.17	-54.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300025582983	0	33	-1.0	-47.74	301.50	4.31	-43.43
O=C(CC1CCC2=CC(Br)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025582984	0	37	-1.0	-47.44	326.91	4.60	-42.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300025582985	0	36	-1.0	-46.41	319.08	3.23	-43.18
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582986	0	50	-1.0	-48.68	411.26	7.06	-41.62
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300025582987	0	25	-1.0	-43.29	279.52	-0.13	-43.42
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582988	0	50	-1.0	-53.84	397.69	2.94	-50.90
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025582989	0	50	-1.0	-53.79	397.70	2.94	-50.85
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(C1)CCOCC2	REAL300025582990	0	55	-1.0	-52.29	423.54	0.56	-51.73
COC(=O)C1=COC2=C1NC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025582991	0	34	-1.0	-48.87	314.69	0.33	-48.54
COC(=O)C1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025582992	0	40	-1.0	-46.45	352.48	2.75	-43.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300025582993	0	38	-1.0	-49.52	333.69	3.80	-45.72
COC(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025582994	0	36	-1.0	-50.74	308.23	2.75	-47.99
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCO1	REAL300025582995	0	48	-1.0	-45.66	384.37	-0.16	-45.82
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025582996	0	55	-1.0	-49.24	428.42	4.70	-44.54
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CC1	REAL300025582997	0	45	-1.0	-50.37	363.33	0.90	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300025582998	0	40	-1.0	-54.57	348.51	4.10	-50.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)C=C1	REAL300025582999	0	34	-1.0	-46.83	308.28	3.96	-42.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCOC(=O)C2=C1	REAL300025583000	0	34	-1.0	-57.88	299.09	2.48	-55.40
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=NO2	REAL300025583001	0	47	-1.0	-50.37	387.26	2.20	-48.17
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583002	0	52	-1.0	-47.31	402.81	1.98	-45.33
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CN=C2C1	REAL300025583003	0	33	-1.0	-45.20	306.41	2.08	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300025583004	0	40	-1.0	-50.44	369.15	2.90	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)C=N1	REAL300025583005	0	30	-1.0	-50.47	289.46	2.08	-48.39
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025583006	0	53	-1.0	-47.05	408.58	3.39	-43.66
O=C(CCCCC1CSSC1)NCCC1=NC(=O)O[N-]1	REAL300025583007	0	38	-1.0	-48.99	335.77	4.71	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300025583008	0	32	-1.0	-44.52	294.52	2.44	-42.08
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583009	0	53	-1.0	-44.75	398.04	4.09	-40.66
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583010	0	54	-1.0	-53.49	411.06	4.65	-48.84
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025583011	0	50	-1.0	-45.72	390.75	2.28	-43.44
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300025583012	0	43	-1.0	-44.60	370.28	6.36	-38.24
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583013	0	43	-1.0	-47.69	367.58	5.27	-42.42
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025583014	0	43	-1.0	-44.12	380.60	6.82	-37.30
O=C(CC1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025583015	0	27	-1.0	-46.14	279.63	1.95	-44.19
CN1C=C(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025583016	0	37	-1.0	-52.90	319.09	2.84	-50.06
COC1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)COC1	REAL300025583017	0	39	-1.0	-50.89	323.81	0.84	-50.05
COCCN1C=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025583018	0	41	-1.0	-51.02	350.36	3.23	-47.79
CC(C)N1C=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025583019	0	40	-1.0	-51.58	334.77	4.65	-46.93
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC(C)(C)C1	REAL300025583020	0	53	-1.0	-43.68	410.52	2.87	-40.81
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC2(CCC2)C1	REAL300025583021	0	54	-1.0	-43.30	419.89	2.95	-40.35
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583022	0	54	-1.0	-48.28	415.21	2.31	-45.97
CCCCC(C(=O)NCCC1=NC(=O)O[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025583023	0	52	-1.0	-44.16	410.69	8.42	-35.74
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025583024	0	43	-1.0	-44.10	370.26	6.37	-37.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300025583025	0	33	-1.0	-43.58	314.56	2.82	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300025583026	0	33	-1.0	-43.25	324.88	3.27	-39.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300025583027	0	33	-1.0	-44.20	324.88	3.27	-40.93
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NCCC3=NC(=O)O[N-]3)N2C)C=C1	REAL300025583028	0	46	-1.0	-53.23	388.43	5.38	-47.85
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(F)=CC(F)=C21	REAL300025583029	0	34	-1.0	-44.18	305.47	2.22	-41.96
CN(C)C1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583030	0	35	-1.0	-47.02	310.62	2.56	-44.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300025583031	0	37	-1.0	-53.35	324.50	0.08	-53.27
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2C1C2(F)F	REAL300025583032	0	48	-1.0	-53.75	384.77	2.92	-50.83
CC(C)(C)OC(=O)NC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025583033	0	43	-1.0	-44.90	364.13	0.27	-44.63
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025583034	0	54	-1.0	-47.36	428.87	2.63	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C12CCN(CCC1)S2(=O)=O	REAL300025583035	0	36	-1.0	-55.14	301.66	-2.25	-57.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300025583036	0	36	-1.0	-55.07	322.79	1.31	-53.76
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2(F)F)=C1	REAL300025583037	0	37	-1.0	-47.52	329.60	4.32	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)ON=C1Br	REAL300025583038	0	30	-1.0	-42.97	298.12	1.84	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CO2	REAL300025583039	0	28	-1.0	-45.09	279.20	0.18	-44.91
CC(C)C1=CNC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NC2=C1	REAL300025583040	0	39	-1.0	-59.23	333.21	1.57	-57.66
O=C(CC1=CC2=C(C=C1Br)OCO2)NCCC1=NC(=O)O[N-]1	REAL300025583041	0	33	-1.0	-48.77	311.63	1.36	-47.41
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)SC2=C1SN=N2	REAL300025583042	0	25	-1.0	-42.82	283.94	-0.03	-42.85
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC(=O)CC2)C=C1	REAL300025583043	0	45	-1.0	-47.08	358.94	4.58	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CC1(F)F	REAL300025583044	0	38	-1.0	-46.63	310.16	1.32	-45.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300025583045	0	32	-1.0	-50.86	310.42	2.00	-48.86
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025583046	0	35	-1.0	-50.78	318.97	0.73	-50.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC(F)F	REAL300025583047	0	33	-1.0	-47.88	298.84	0.90	-46.98
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583048	0	50	-1.0	-52.51	389.67	2.92	-49.59
CC(C)(C)OC(=O)NC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025583049	0	54	-1.0	-45.57	406.53	2.11	-43.46
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583050	0	44	-1.0	-46.27	367.68	-0.30	-46.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300025583051	0	30	-1.0	-51.36	290.10	2.77	-48.59
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300025583052	0	34	-1.0	-47.40	317.83	3.98	-43.42
COC1=NN(C)C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583053	0	31	-1.0	-47.40	303.38	-2.37	-49.77
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025583054	0	34	-1.0	-53.21	304.11	0.50	-52.71
O=C(CC1=CC(C(F)(F)F)=CO1)NCCC1=NC(=O)O[N-]1	REAL300025583055	0	30	-1.0	-49.22	289.50	1.42	-47.80
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025583056	0	40	-1.0	-69.83	343.90	0.73	-69.10
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=C(C)S1	REAL300025583057	0	33	-1.0	-45.31	317.15	3.51	-41.80
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583058	0	51	-1.0	-51.09	401.24	4.34	-46.75
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583059	0	50	-1.0	-52.01	395.14	1.50	-50.51
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583060	0	52	-1.0	-46.47	404.12	4.79	-41.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300025583061	0	30	-1.0	-47.54	310.53	3.98	-43.56
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583062	0	39	-1.0	-47.00	316.73	-1.74	-48.74
O=C(CN1C=CC2=CC(F)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025583063	0	34	-1.0	-51.30	307.59	3.76	-47.54
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NCCC1=NC(=O)O[N-]1)C3=O	REAL300025583064	0	43	-1.0	-52.14	356.96	4.63	-47.51
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025583065	0	41	-1.0	-51.93	346.13	3.39	-48.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL300025583066	0	35	-1.0	-53.56	309.09	2.40	-51.16
COC1=CC2=NC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025583067	0	36	-1.0	-47.68	308.82	1.22	-46.46
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025583068	0	55	-1.0	-46.01	433.93	0.99	-45.02
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CO2	REAL300025583069	0	55	-1.0	-47.76	424.31	0.97	-46.79
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583070	0	51	-1.0	-54.16	400.76	5.42	-48.74
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583071	0	50	-1.0	-53.80	397.65	2.94	-50.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Cl)=C1Cl	REAL300025583072	0	24	-1.0	-47.87	264.63	1.57	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300025583073	0	39	-1.0	-53.09	336.63	1.00	-52.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300025583074	0	34	-1.0	-47.93	310.69	2.76	-45.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1Br	REAL300025583075	0	25	-1.0	-53.03	250.03	0.02	-53.01
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025583076	0	37	-1.0	-57.52	341.14	1.17	-56.35
CS(=O)(=O)C1=COC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583077	0	30	-1.0	-53.08	290.58	-2.99	-56.07
O=C(CC1=CC=C2COCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583078	0	38	-1.0	-49.21	321.64	2.30	-46.91
O=C(CC1=CC=C2CCOCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583079	0	38	-1.0	-49.22	321.64	2.30	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300025583080	0	36	-1.0	-45.30	319.09	3.23	-42.07
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025583081	0	29	-1.0	-42.27	280.24	0.95	-41.32
COC1=CC(Br)=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583082	0	30	-1.0	-45.92	289.34	1.00	-44.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300025583083	0	36	-1.0	-56.64	326.52	-0.81	-57.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL300025583084	0	34	-1.0	-52.64	307.74	2.82	-49.82
CCC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025583085	0	39	-1.0	-44.59	343.48	2.68	-41.91
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583086	0	42	-1.0	-49.38	372.12	0.97	-48.41
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583087	0	42	-1.0	-53.39	372.14	0.95	-52.44
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583088	0	53	-1.0	-44.51	421.32	0.56	-43.95
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583089	0	50	-1.0	-44.64	401.04	-0.18	-44.82
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583090	0	54	-1.0	-43.94	411.94	0.36	-43.58
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583091	0	47	-1.0	-51.19	378.73	3.10	-48.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300025583092	0	37	-1.0	-48.16	346.98	3.28	-44.88
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583093	0	48	-1.0	-46.32	382.92	6.34	-39.98
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583094	0	38	-1.0	-46.72	325.77	3.34	-43.38
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583095	0	35	-1.0	-52.78	317.05	1.62	-51.16
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL300025583096	0	47	-1.0	-52.38	392.23	-2.45	-54.83
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025583097	0	48	-1.0	-50.65	390.37	-0.84	-51.49
C=CCN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025583098	0	47	-1.0	-47.90	385.56	3.05	-44.85
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C2CCCCC21	REAL300025583099	0	57	-1.0	-49.19	428.65	4.21	-44.98
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583100	0	50	-1.0	-57.32	390.65	3.14	-54.18
CC1(C)CCC(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025583101	0	42	-1.0	-54.48	341.80	3.96	-50.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CN=CC(Br)=C2S1	REAL300025583102	0	29	-1.0	-42.90	298.11	1.79	-41.11
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025583103	0	43	-1.0	-48.63	351.94	1.05	-47.58
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300025583104	0	40	-1.0	-50.25	340.34	2.72	-47.53
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300025583105	0	34	-1.0	-46.91	316.63	4.05	-42.86
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583106	0	52	-1.0	-43.42	390.10	3.09	-40.33
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583107	0	51	-1.0	-52.39	418.52	2.55	-49.84
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025583108	0	47	-1.0	-45.50	383.90	2.58	-42.92
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583109	0	50	-1.0	-47.22	394.73	1.60	-45.62
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025583110	0	54	-1.0	-47.13	412.27	2.41	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300025583111	0	37	-1.0	-49.64	322.12	1.10	-48.54
CC1=CN=C(N2CCOCC2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583112	0	41	-1.0	-43.47	340.27	0.66	-42.81
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583113	0	33	-1.0	-51.65	325.26	-0.31	-51.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NSC2=CC(Br)=CC=C21	REAL300025583114	0	29	-1.0	-42.01	295.30	2.16	-39.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OC=CC2=C1	REAL300025583115	0	30	-1.0	-45.83	291.84	2.50	-43.33
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583116	0	51	-1.0	-49.94	405.88	0.85	-49.09
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(CCCC2)C1	REAL300025583117	0	54	-1.0	-51.64	416.25	3.93	-47.71
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583118	0	47	-1.0	-45.72	389.74	-0.08	-45.80
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300025583119	0	51	-1.0	-55.97	412.14	2.35	-53.62
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583120	0	57	-1.0	-47.76	405.97	4.10	-43.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL300025583121	0	29	-1.0	-49.93	290.56	1.58	-48.35
N#CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025583122	0	34	-1.0	-48.19	315.62	3.43	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300025583123	0	33	-1.0	-50.44	298.55	-1.15	-51.59
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583124	0	35	-1.0	-44.34	305.48	3.57	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL300025583125	0	37	-1.0	-49.83	325.19	4.39	-45.44
COCCN1C=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025583126	0	41	-1.0	-49.63	352.55	3.25	-46.38
CC(C)N1C=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025583127	0	40	-1.0	-49.70	336.91	4.66	-45.04
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583128	0	51	-1.0	-53.68	424.75	2.56	-51.12
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583129	0	50	-1.0	-48.38	394.68	3.18	-45.20
CC(C)(C)OC(=O)NC1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583130	0	53	-1.0	-48.42	405.39	2.13	-46.29
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025583131	0	34	-1.0	-46.17	348.98	4.50	-41.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300025583132	0	32	-1.0	-50.02	303.00	2.55	-47.47
CC12CCCN1S(=O)(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583133	0	39	-1.0	-54.21	327.00	-2.11	-56.32
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025583134	0	51	-1.0	-58.18	411.81	0.42	-57.76
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C[C@H](C(C)(C)C)C1	REAL300025583135	0	59	-1.0	-44.88	440.99	4.39	-40.49
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025583136	0	51	-1.0	-49.69	402.98	4.86	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1CCC(F)(F)F	REAL300025583137	0	33	-1.0	-44.85	305.22	1.26	-43.59
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583138	0	38	-1.0	-48.05	339.72	3.48	-44.57
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583139	0	50	-1.0	-53.63	400.42	2.96	-50.67
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025583140	0	43	-1.0	-48.48	375.10	0.59	-47.89
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583141	0	33	-1.0	-43.34	317.49	0.55	-42.79
CC(=O)NC(COC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583142	0	40	-1.0	-53.12	335.74	-0.43	-53.55
COC1=CC2=CC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025583143	0	40	-1.0	-50.26	343.39	3.77	-46.49
CC(C)CC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583144	0	45	-1.0	-45.70	358.58	5.53	-40.17
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583145	0	46	-1.0	-48.75	388.51	0.27	-48.48
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025583146	0	51	-1.0	-55.61	403.42	4.68	-50.93
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583147	0	53	-1.0	-50.46	432.91	3.22	-47.24
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583148	0	51	-1.0	-46.67	406.68	3.24	-43.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300025583149	0	27	-1.0	-42.28	275.98	2.24	-40.04
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300025583150	0	33	-1.0	-49.15	305.41	2.21	-46.94
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583151	0	54	-1.0	-52.16	401.55	4.09	-48.07
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL300025583152	0	32	-1.0	-42.79	287.16	2.12	-40.67
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL300025583153	0	36	-1.0	-45.58	315.47	3.57	-42.01
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL300025583154	0	37	-1.0	-48.22	322.51	4.14	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300025583155	0	27	-2.0	-94.94	271.13	1.66	-93.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1O	REAL300025583155	1	28	-1.0	-44.25	274.69	0.65	-43.60
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583156	0	36	-1.0	-47.11	323.43	3.70	-43.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300025583157	0	37	-1.0	-53.73	320.92	2.58	-51.15
CN(CC1=CC=CO1)C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583158	0	39	-1.0	-49.31	341.23	-0.06	-49.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300025583159	0	40	-1.0	-53.77	354.91	4.16	-49.61
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2C1	REAL300025583160	0	48	-1.0	-47.61	389.16	1.16	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300025583161	0	45	-1.0	-52.35	390.44	4.65	-47.70
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583162	0	38	-1.0	-50.98	327.76	1.41	-49.57
CSC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025583163	0	33	-1.0	-46.27	307.05	3.08	-43.19
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583164	0	37	-1.0	-53.38	318.95	3.32	-50.06
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300025583165	0	33	-1.0	-47.25	323.10	3.94	-43.31
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300025583166	0	37	-1.0	-48.46	329.13	2.64	-45.82
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583167	0	41	-1.0	-55.75	347.32	0.42	-55.33
C[C@@H]1CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2[C@H](C)O1	REAL300025583168	0	38	-1.0	-44.58	320.02	-0.45	-45.03
O=C(CCC1=C(Br)C=CS1)NCCC1=NC(=O)O[N-]1	REAL300025583169	0	30	-1.0	-44.85	299.01	2.66	-42.19
O=C(CC1=C(Br)C=C2N=CNC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583170	0	33	-1.0	-53.20	311.26	2.34	-50.86
O=C(CC1=C(Br)C=C2NC=NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583170	1	33	-1.0	-52.05	311.12	2.35	-49.70
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583171	0	48	-1.0	-51.88	378.65	4.46	-47.42
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583172	0	36	-1.0	-48.20	324.68	2.35	-45.85
C=CCOC1=CC=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583173	0	34	-1.0	-48.57	319.65	2.32	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300025583174	0	34	-1.0	-48.17	304.78	3.77	-44.40
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025583175	0	33	-1.0	-54.31	316.48	-0.41	-54.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300025583176	0	33	-1.0	-48.28	312.49	3.59	-44.69
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025583177	0	57	-1.0	-46.20	424.38	3.07	-43.13
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NCCC3=NC(=O)O[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300025583178	0	52	-1.0	-50.91	406.53	2.58	-48.33
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025583179	0	43	-1.0	-44.97	370.45	-0.58	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL300025583180	0	32	-1.0	-42.54	300.65	1.78	-40.76
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583181	0	48	-1.0	-47.03	377.16	3.65	-43.38
CN1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025583182	0	39	-1.0	-47.35	334.96	2.65	-44.70
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL300025583183	0	37	-1.0	-46.25	316.28	2.91	-43.34
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]2CC[C@@H](C2)C1	REAL300025583184	0	54	-1.0	-49.90	393.75	3.57	-46.33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583185	0	47	-1.0	-53.91	378.50	0.78	-53.13
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(CO1)CCC2	REAL300025583186	0	55	-1.0	-48.92	423.84	0.77	-48.15
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025583187	0	53	-1.0	-46.18	414.98	1.76	-44.42
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C2CC2)C1	REAL300025583188	0	51	-1.0	-48.12	396.04	4.13	-43.99
CC=CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025583189	0	42	-1.0	-53.89	358.86	3.84	-50.05
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025583190	0	51	-1.0	-46.88	416.64	3.54	-43.34
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583191	0	51	-1.0	-52.88	407.69	0.95	-51.93
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583192	0	51	-1.0	-48.81	389.97	2.78	-46.03
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025583193	0	57	-1.0	-49.79	438.94	3.19	-46.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300025583194	0	34	-1.0	-49.15	304.94	0.24	-48.91
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300025583195	0	44	-1.0	-51.31	348.85	4.04	-47.27
CC1=NN=C(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025583196	0	38	-1.0	-51.89	338.21	-1.08	-52.97
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)CC1	REAL300025583197	0	54	-1.0	-49.58	417.09	4.10	-45.48
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583198	0	51	-1.0	-49.55	408.71	2.47	-47.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300025583199	0	33	-1.0	-50.21	307.78	4.31	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300025583200	0	39	-1.0	-49.70	339.57	5.32	-44.38
CC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2C(F)=C1	REAL300025583201	0	35	-1.0	-46.82	312.20	2.66	-44.16
CC(C)(C)OC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583202	0	40	-1.0	-45.15	344.96	3.28	-41.87
CN1C=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CO2)C=N1	REAL300025583203	0	33	-1.0	-47.84	307.17	-2.30	-50.14
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(C)C=C1	REAL300025583204	0	38	-1.0	-48.42	327.77	1.42	-47.00
CCCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583205	0	43	-1.0	-48.12	362.28	4.03	-44.09
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583206	0	44	-1.0	-55.83	381.02	-0.07	-55.90
COC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025583207	0	36	-1.0	-46.85	316.53	0.42	-46.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300025583208	0	24	-1.0	-42.07	268.48	1.65	-40.42
COC1CC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025583209	0	44	-1.0	-46.10	346.34	2.41	-43.69
CCCC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583210	0	45	-1.0	-47.46	364.94	5.54	-41.92
CCC(C)(C)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583211	0	48	-1.0	-44.85	352.11	4.28	-40.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL300025583212	0	34	-1.0	-53.87	299.26	1.29	-52.58
CCC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583213	0	42	-1.0	-46.84	344.42	5.05	-41.79
COC1(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025583214	0	37	-1.0	-41.81	302.49	1.18	-40.63
O=C(CCC1=CC=C2CCOCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583215	0	41	-1.0	-46.41	343.04	3.11	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCC(F)(F)CC2	REAL300025583216	0	37	-1.0	-46.85	309.63	3.16	-43.69
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1Br	REAL300025583217	0	29	-1.0	-44.05	280.22	0.89	-43.16
CN(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025583218	0	37	-1.0	-46.41	323.71	2.80	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300025583219	0	31	-1.0	-46.21	291.32	1.39	-44.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300025583220	0	30	-1.0	-47.19	303.11	3.20	-43.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300025583221	0	35	-1.0	-44.46	332.64	3.64	-40.82
N#CC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025583222	0	34	-1.0	-47.18	319.48	0.33	-46.85
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583223	0	51	-1.0	-55.32	403.47	4.36	-50.96
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300025583224	0	37	-1.0	-42.74	334.73	3.49	-39.25
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583225	0	47	-1.0	-43.47	387.07	1.56	-41.91
CC(C)(C)C1=CC=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025583226	0	41	-1.0	-56.12	341.48	2.94	-53.18
O=C(NCCC1=NC(=O)O[N-]1)C12CCCN1C(=O)CCCC2	REAL300025583227	0	41	-1.0	-45.94	314.80	2.05	-43.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300025583228	0	37	-1.0	-45.97	329.53	4.11	-41.86
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583229	0	38	-1.0	-50.78	318.54	3.27	-47.51
O=C(CCC1=CC=CC(Br)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025583230	0	33	-1.0	-47.34	315.38	3.66	-43.68
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583231	0	47	-1.0	-44.74	388.00	1.44	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300025583232	0	49	-1.0	-44.10	404.09	6.69	-37.41
CN(C)C1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025583233	0	41	-1.0	-48.17	341.68	4.19	-43.98
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCC3=NC(=O)O[N-]3)C[C@@H]12	REAL300025583234	0	45	-1.0	-47.26	372.87	1.00	-46.26
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=NN1C	REAL300025583235	0	33	-1.0	-50.60	304.97	0.55	-50.05
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583236	0	38	-1.0	-58.41	318.73	0.28	-58.13
COC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583237	0	31	-1.0	-44.89	295.17	1.55	-43.34
CC1(C)OC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025583238	0	39	-1.0	-49.30	333.63	0.09	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL300025583239	0	35	-1.0	-48.25	297.36	0.69	-47.56
CN1N=CC2=NC(C(F)F)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025583240	0	35	-1.0	-50.60	313.04	0.48	-50.12
COC(=O)C1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025583241	0	39	-1.0	-47.11	334.10	4.26	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=C1CCNC2=O	REAL300025583242	0	34	-1.0	-45.12	292.59	-1.80	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300025583243	0	35	-1.0	-53.22	312.86	-0.19	-53.41
CN(C)C(=O)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583244	0	36	-1.0	-53.29	309.45	-0.50	-53.79
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300025583245	0	31	-1.0	-47.09	297.92	0.73	-46.36
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583246	0	47	-1.0	-46.71	386.88	-0.68	-47.39
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025583247	0	55	-1.0	-50.47	423.96	3.07	-47.40
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300025583248	0	49	-1.0	-44.46	415.96	0.70	-43.76
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025583249	0	54	-1.0	-52.32	417.20	4.07	-48.25
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583250	0	50	-1.0	-47.41	392.26	2.80	-44.61
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583251	0	54	-1.0	-52.17	421.22	4.52	-47.65
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583252	0	47	-1.0	-52.57	378.67	0.80	-51.77
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)O[C@@H]2COC[C@H]21	REAL300025583253	0	53	-1.0	-48.39	411.01	0.86	-47.53
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583254	0	48	-1.0	-49.54	389.69	1.73	-47.81
COC1=CC=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583255	0	38	-1.0	-54.06	323.54	2.44	-51.62
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)(C1CC1)C(F)(F)F	REAL300025583256	0	47	-1.0	-45.49	386.24	1.47	-44.02
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C12CCC2	REAL300025583257	0	51	-1.0	-48.82	392.41	2.68	-46.14
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583258	0	51	-1.0	-47.99	415.00	2.32	-45.67
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025583259	0	49	-1.0	-49.93	387.18	2.30	-47.63
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583260	0	41	-1.0	-55.75	347.32	0.42	-55.33
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025583261	0	41	-1.0	-50.27	354.86	0.49	-49.78
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=C(C)SC2=N1	REAL300025583262	0	36	-1.0	-47.05	319.63	3.30	-43.75
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583263	0	48	-1.0	-55.03	378.95	2.87	-52.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300025583264	0	30	-1.0	-48.48	294.63	2.95	-45.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL300025583265	0	32	-1.0	-42.99	297.21	0.78	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300025583266	0	36	-1.0	-41.20	321.08	3.93	-37.27
CC1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)S1	REAL300025583267	0	30	-1.0	-44.70	294.43	2.84	-41.86
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583268	0	38	-1.0	-51.90	339.48	-2.25	-54.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300025583269	0	33	-1.0	-43.12	321.42	3.94	-39.18
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025583270	0	40	-1.0	-47.68	352.04	5.13	-42.55
CC(C)OCC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583271	0	43	-1.0	-48.22	359.33	3.71	-44.51
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300025583272	0	34	-1.0	-46.31	324.52	4.35	-41.96
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583273	0	33	-1.0	-52.16	327.69	1.55	-50.61
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300025583274	0	43	-1.0	-46.52	342.33	5.12	-41.40
O=C(CN1C=C(I)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025583275	0	27	-1.0	-52.26	276.39	0.73	-51.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300025583276	0	30	-1.0	-45.74	290.07	2.47	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300025583277	0	37	-1.0	-55.28	331.25	-2.11	-57.39
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)C2(C)C	REAL300025583278	0	57	-1.0	-45.20	423.27	3.56	-41.64
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC(C2)C1	REAL300025583279	0	54	-1.0	-49.82	393.69	3.70	-46.12
COC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C21	REAL300025583280	0	36	-1.0	-51.02	331.29	2.40	-48.62
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583281	0	48	-1.0	-46.77	388.81	2.61	-44.16
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583282	0	44	-1.0	-54.84	380.26	2.19	-52.65
C[NH+](C)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583283	0	43	0.0	-75.31	351.45	3.24	-72.07
CP(C)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583284	0	36	-1.0	-55.02	323.35	1.11	-53.91
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300025583285	0	33	-1.0	-40.20	320.87	3.76	-36.44
CC(C)(C)C1CCC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N2)C1	REAL300025583286	0	49	-1.0	-50.73	377.48	3.21	-47.52
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(CN2C=C(Br)C=N2)=C1	REAL300025583287	0	34	-1.0	-53.58	332.67	1.97	-51.61
O=C(CC1=C(F)C=CC(F)=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025583288	0	30	-1.0	-46.54	297.02	2.79	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300025583289	0	41	-1.0	-61.34	348.89	1.37	-59.97
CN=S(C)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583290	0	37	-1.0	-55.62	331.47	-1.06	-56.68
CC(C)(C)OC(=O)NOCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583291	0	44	-1.0	-55.47	369.30	0.41	-55.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300025583292	0	37	-1.0	-45.24	333.82	2.23	-43.01
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C(C)C(C)C	REAL300025583293	0	42	-1.0	-46.39	343.80	2.75	-43.64
CCCSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583294	0	37	-1.0	-48.67	326.45	4.20	-44.47
COC1=CC=C2C(=C1)CCCC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583295	0	41	-1.0	-46.88	334.60	3.30	-43.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300025583296	0	36	-1.0	-45.38	331.59	3.76	-41.62
CCCCSC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583297	0	40	-1.0	-48.63	347.95	4.98	-43.65
CC1=NC=NC2=C1CC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025583298	0	38	-1.0	-46.57	314.15	2.42	-44.15
O=C(CC1=C(Br)C=CC(Cl)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025583299	0	30	-1.0	-46.08	307.50	3.25	-42.83
O=C(CC1=CC=C(Br)C2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025583300	0	36	-1.0	-48.60	329.03	4.85	-43.75
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300025583301	0	30	-1.0	-51.07	293.29	2.50	-48.57
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(OC(F)(F)F)CC1	REAL300025583302	0	37	-1.0	-47.68	310.95	1.14	-46.54
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583303	0	36	-1.0	-44.58	336.66	4.47	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Br)C=C2O1	REAL300025583304	0	30	-1.0	-42.14	295.80	2.53	-39.61
CC1=C(F)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1I	REAL300025583305	0	30	-1.0	-42.95	293.87	3.20	-39.75
CC(CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1)NC(=O)OC(C)(C)C	REAL300025583306	0	50	-1.0	-52.25	416.74	0.79	-51.46
CC(C)OC1=CC=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583307	0	37	-1.0	-48.36	316.82	3.69	-44.67
COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=N1	REAL300025583308	0	32	-1.0	-48.64	291.39	-2.87	-51.51
O=C(CC1CCC2(CCCC2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025583309	0	46	-1.0	-45.63	345.70	4.62	-41.01
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1CNC(=O)OC(C)(C)C	REAL300025583310	0	53	-1.0	-47.89	425.73	3.03	-44.86
COC1=CC=C(N2CCCCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583311	0	46	-1.0	-47.83	367.47	3.46	-44.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=N2)S1	REAL300025583312	0	33	-1.0	-46.91	310.58	2.57	-44.34
COC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025583313	0	51	-1.0	-46.42	404.84	1.42	-45.00
O=C(CC1COCC2=CC=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025583314	0	38	-1.0	-47.62	313.27	2.07	-45.55
CC(C)(C)OC(=O)NCC1CC(CC(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025583315	0	51	-1.0	-52.24	409.22	-0.13	-52.37
CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583316	0	53	-1.0	-53.30	427.40	3.15	-50.15
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)CO2)CC1	REAL300025583317	0	55	-1.0	-48.75	426.94	2.66	-46.09
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025583318	0	48	-1.0	-51.52	378.87	2.01	-49.51
O=C(CC1CCCCCC1(F)F)NCCC1=NC(=O)O[N-]1	REAL300025583319	0	39	-1.0	-43.04	305.83	2.91	-40.13
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300025583320	0	43	-1.0	-47.46	376.78	6.74	-40.72
CC(C)(C)OC(=O)NCC1=NNC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583321	0	44	-1.0	-46.80	373.56	-1.65	-48.45
CC(C)(C)OC(=O)N1CCCCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583322	0	50	-1.0	-49.00	383.27	3.43	-45.57
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)NCCC3=NC(=O)O[N-]3)C[C@@H]2C1	REAL300025583323	0	51	-1.0	-51.04	398.97	3.22	-47.82
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583324	0	48	-1.0	-49.06	382.38	3.24	-45.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025583325	0	39	-1.0	-55.88	339.93	4.78	-51.10
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=NS1	REAL300025583326	0	43	-1.0	-47.02	377.25	0.12	-46.90
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL300025583327	0	36	-1.0	-54.07	307.98	-1.44	-55.51
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@]12CCCC1=CC=CC=C12	REAL300025583328	0	41	-1.0	-45.37	331.30	5.10	-40.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCCNS2(=O)=O)=C1	REAL300025583329	0	41	-1.0	-52.63	356.84	-1.44	-54.07
CC(C1CC1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025583330	0	41	-1.0	-47.39	337.90	2.11	-45.28
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C2CCC2)C1	REAL300025583331	0	54	-1.0	-46.92	411.37	4.96	-41.96
CC(C)(C)OC(=O)NOC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583332	0	44	-1.0	-56.00	360.87	1.43	-54.57
CCC1=CN2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCC2=N1	REAL300025583333	0	40	-1.0	-47.43	331.35	3.01	-44.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300025583334	0	40	-1.0	-47.62	346.10	6.00	-41.62
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025583335	0	44	-1.0	-47.84	380.88	4.18	-43.66
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583336	0	51	-1.0	-53.52	405.04	3.30	-50.22
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025583337	0	53	-1.0	-49.99	401.98	3.62	-46.37
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583338	0	51	-1.0	-48.05	396.53	4.27	-43.78
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583339	0	48	-1.0	-52.04	381.04	0.07	-51.97
CC(C)(C)OC(=O)N1[C@@H](C(F)(F)F)CC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583340	0	47	-1.0	-56.76	385.26	3.37	-53.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL300025583341	0	32	-1.0	-45.78	293.60	1.46	-44.32
CC1(C)CC2=CC=CC(CC(=O)NCCC3=NC(=O)O[N-]3)=C2O1	REAL300025583342	0	41	-1.0	-49.64	345.30	3.44	-46.20
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)NCCC1=NC(=O)O[N-]1	REAL300025583343	0	39	-1.0	-55.64	347.50	3.28	-52.36
CN1C=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025583344	0	35	-1.0	-57.95	309.77	2.21	-55.74
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583345	0	47	-1.0	-53.30	376.51	0.94	-52.36
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583346	0	53	-1.0	-47.72	406.12	3.15	-44.57
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC=CCC1	REAL300025583347	0	51	-1.0	-43.76	396.91	2.66	-41.10
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCSCC1	REAL300025583348	0	48	-1.0	-48.45	382.71	2.18	-46.27
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583349	0	48	-1.0	-50.57	386.70	2.88	-47.69
CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583350	0	51	-1.0	-47.85	407.04	5.39	-42.46
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC[C@@H]12	REAL300025583351	0	57	-1.0	-54.94	413.87	4.66	-50.28
CC(C)(C)OC(=O)NC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)OC2	REAL300025583352	0	46	-1.0	-44.16	376.19	-1.46	-45.62
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583353	0	47	-1.0	-47.45	382.34	0.33	-47.12
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583353	1	47	-1.0	-48.53	378.91	0.07	-48.46
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583354	0	44	-1.0	-50.37	368.33	1.90	-48.47
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(CCNC(=O)OC(C)(C)C)=N1	REAL300025583355	0	49	-1.0	-49.26	417.42	0.57	-48.69
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583356	0	46	-1.0	-50.58	379.17	0.46	-50.12
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025583357	0	51	-1.0	-47.69	405.98	3.37	-44.32
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583358	0	40	-1.0	-46.11	335.45	-0.69	-46.80
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)CCC[C@H]12	REAL300025583359	0	54	-1.0	-57.41	409.56	3.92	-53.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300025583360	0	27	-1.0	-42.23	282.03	2.60	-39.63
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583361	0	41	-1.0	-59.00	351.88	2.68	-56.32
CC(C)(C)OC(=O)N1CCC(COCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583362	0	54	-1.0	-53.28	428.47	3.60	-49.68
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583363	0	46	-1.0	-44.19	367.01	0.53	-43.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300025583364	0	34	-1.0	-46.46	303.22	-1.82	-48.28
CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583365	0	49	-1.0	-52.69	409.16	-2.66	-55.35
CC1CCC(OCCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583366	0	46	-1.0	-48.27	365.60	3.45	-44.82
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583367	0	41	-1.0	-49.72	351.78	2.69	-47.03
O=C(CC1CC2=CC=CC=C2NC1=O)NCCC1=NC(=O)O[N-]1	REAL300025583368	0	38	-1.0	-56.12	321.40	2.52	-53.60
CC1(C)C(=O)NC2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC21	REAL300025583369	0	44	-1.0	-52.67	339.39	-0.07	-52.74
COC1(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)CCOCC1	REAL300025583370	0	44	-1.0	-45.15	357.79	0.24	-44.91
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025583371	0	46	-1.0	-49.30	391.95	0.19	-49.11
CN(CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025583372	0	45	-1.0	-48.75	371.52	5.72	-43.03
CN1C=NC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2C1=O	REAL300025583373	0	35	-1.0	-52.35	309.45	2.24	-50.11
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583374	0	35	-1.0	-43.38	326.38	2.32	-41.06
COC1=CC([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)=C(OC)C=C1C	REAL300025583375	0	45	-1.0	-49.88	373.77	2.96	-46.92
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025583376	0	47	-1.0	-45.27	375.23	1.49	-43.78
CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1	REAL300025583377	0	49	-1.0	-52.65	407.39	1.82	-50.83
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCC3=NC(=O)O[N-]3)[C@@H]2C1	REAL300025583378	0	49	-1.0	-58.57	387.20	0.71	-57.86
CN1N=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583379	0	37	-1.0	-48.79	318.54	2.51	-46.28
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL300025583380	0	37	-1.0	-53.14	303.65	-1.36	-54.50
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)(C)C1	REAL300025583381	0	56	-1.0	-47.02	419.64	4.29	-42.73
CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583382	0	51	-1.0	-48.95	411.91	3.13	-45.82
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583383	0	47	-1.0	-44.51	391.12	1.15	-43.36
O=C(CCC1=C(F)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025583384	0	33	-1.0	-47.08	308.69	3.47	-43.61
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C21	REAL300025583385	0	34	-1.0	-55.26	314.65	3.73	-51.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300025583386	0	38	-1.0	-58.58	335.74	-2.36	-60.94
CC(C)(C)OC(=O)N1C2=CC=CC=C2C[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583387	0	51	-1.0	-46.67	409.11	5.05	-41.62
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1CNC(=O)OC(C)(C)C	REAL300025583388	0	51	-1.0	-49.28	419.58	1.31	-47.97
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025583389	0	51	-1.0	-47.64	402.12	2.80	-44.84
CCC1=CC=CC(CC)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583390	0	42	-1.0	-46.23	336.36	4.49	-41.74
O=C(CC1=CC=CC(OCC2CC2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025583391	0	41	-1.0	-49.02	350.96	4.03	-44.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300025583392	0	48	-1.0	-47.07	398.71	5.35	-41.72
CC(C)N1C=C(C2CC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025583393	0	40	-1.0	-47.34	340.50	2.77	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300025583394	0	34	-1.0	-51.49	307.58	2.10	-49.39
CCN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Br	REAL300025583395	0	30	-1.0	-44.90	305.98	1.14	-43.76
CN1N=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583396	0	26	-1.0	-44.56	263.20	-1.85	-46.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300025583397	0	37	-1.0	-48.58	345.69	4.23	-44.35
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C(F)F)CC1	REAL300025583398	0	50	-1.0	-44.93	392.35	3.20	-41.73
CC(C)(C)OC(=O)N1CC2=NC=CN2CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583399	0	51	-1.0	-51.42	407.95	3.34	-48.08
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=CO2	REAL300025583400	0	45	-1.0	-54.35	378.10	1.95	-52.40
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NCCC3=NC(=O)O[N-]3)C21	REAL300025583401	0	51	-1.0	-50.58	391.49	2.51	-48.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300025583402	0	35	-1.0	-45.78	314.34	4.35	-41.43
O=C(NCCC1=NC(=O)O[N-]1)C1CCOC2(CCCCC2)C1	REAL300025583403	0	44	-1.0	-45.92	334.51	2.55	-43.37
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NCCC1=NC(=O)O[N-]1	REAL300025583404	0	40	-1.0	-46.81	347.18	5.06	-41.75
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC=CC=C21	REAL300025583405	0	39	-1.0	-48.11	325.75	4.87	-43.24
COC1=CC2=CC=CN=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583406	0	36	-1.0	-54.11	311.79	1.65	-52.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300025583407	0	29	-1.0	-43.00	291.69	1.40	-41.60
CCN1N=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583408	0	29	-1.0	-44.05	285.01	-1.01	-45.06
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL300025583409	0	38	-1.0	-49.15	330.18	2.79	-46.36
CC(=O)NC1=C2C=CN(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025583410	0	41	-1.0	-58.63	357.26	2.58	-56.05
CN1C(=O)NC2(CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C1=O	REAL300025583411	0	42	-1.0	-54.67	340.47	-0.78	-55.45
CC1=CC(Br)=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C21	REAL300025583412	0	33	-1.0	-46.20	313.02	1.47	-44.73
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583413	0	49	-1.0	-54.49	391.29	-0.17	-54.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300025583414	0	39	-1.0	-48.61	340.47	4.20	-44.41
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300025583415	0	30	-1.0	-48.15	295.13	2.46	-45.69
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300025583416	0	39	-1.0	-54.81	319.35	-3.11	-57.92
O=C(NCCC1=NC(=O)O[N-]1)C1=C(I)C=CS1	REAL300025583417	0	24	-1.0	-44.64	258.83	1.63	-43.01
COC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025583418	0	36	-1.0	-50.43	328.16	2.99	-47.44
COC(=O)C1=NNC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025583419	0	36	-1.0	-56.02	325.00	0.88	-55.14
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=C(C)C=C2)=NO1	REAL300025583420	0	39	-1.0	-45.45	344.59	3.89	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=C(F)C=C1)C1CC1	REAL300025583421	0	37	-1.0	-45.84	323.58	4.32	-41.52
CC1=CC(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025583422	0	30	-1.0	-41.36	290.35	2.11	-39.25
CC1=NN(CC(F)(F)F)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583423	0	33	-1.0	-45.51	306.55	1.16	-44.35
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(Cl)N=C1Cl	REAL300025583424	0	29	-1.0	-41.49	285.61	1.22	-40.27
CC1=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C(N2C=NN=N2)S1	REAL300025583425	0	35	-1.0	-57.04	325.55	2.03	-55.01
CC12CC3(C)CC(F)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C2)C3	REAL300025583426	0	47	-1.0	-44.57	354.59	4.49	-40.08
COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025583427	0	32	-1.0	-48.54	297.37	-2.56	-51.10
O=C(NCCC1=NC(=O)O[N-]1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300025583428	0	32	-1.0	-51.54	312.07	0.95	-50.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL300025583429	0	43	-1.0	-47.14	352.14	0.63	-46.51
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025583430	0	49	0.0	-64.94	383.21	5.89	-59.05
CC1CN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025583431	0	46	-1.0	-46.83	372.44	1.18	-45.65
CC1C[N@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025583431	1	47	0.0	-77.48	369.01	3.61	-73.87
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025583431	1	47	0.0	-77.66	369.07	3.61	-74.05
CCNC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583432	0	42	-1.0	-51.83	340.08	0.37	-51.46
COC1=CC([C@@H](C)CC(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025583433	0	43	-1.0	-46.25	352.34	3.49	-42.76
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583434	0	43	-1.0	-46.82	361.06	3.65	-43.17
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025583435	0	43	-1.0	-47.18	363.14	3.78	-43.40
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300025583436	0	41	-1.0	-49.09	356.30	4.79	-44.30
CN(C)C(=O)SC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC2=CC=CC=C21	REAL300025583437	0	44	-1.0	-54.75	383.05	4.35	-50.40
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=CC(C2CC2)=N1	REAL300025583438	0	40	-1.0	-56.03	334.32	2.96	-53.07
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025583439	0	50	-1.0	-48.77	389.27	2.66	-46.11
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025583440	0	55	-1.0	-45.99	411.60	2.01	-43.98
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1	REAL300025583441	0	36	-1.0	-43.86	342.45	0.57	-43.29
O=C(CC1CCS(=O)(=O)CC1)NCCC1=NC(=O)O[N-]1	REAL300025583442	0	36	-1.0	-53.20	306.43	-1.50	-54.70
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OCC1(C)C	REAL300025583443	0	51	-1.0	-47.17	398.15	2.37	-44.80
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583444	0	49	-1.0	-51.27	392.44	5.21	-46.06
O=C(CCC(=O)C1=CC=C(Br)S1)NCCC1=NC(=O)O[N-]1	REAL300025583445	0	32	-1.0	-44.14	322.06	2.67	-41.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CN=C1N1CCOCC1	REAL300025583446	0	42	-1.0	-44.78	365.42	1.68	-43.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC2=CC3=NSN=C3C=C2)C=C1	REAL300025583447	0	42	-1.0	-52.00	378.73	3.16	-48.84
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583448	0	33	-1.0	-47.56	303.84	1.60	-45.96
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCOCC1	REAL300025583449	0	38	-1.0	-44.46	316.26	1.94	-42.52
CC1=CC=C(C(C(=O)NCCC2=NC(=O)O[N-]2)C2CC2)C=C1	REAL300025583450	0	40	-1.0	-46.19	338.59	4.93	-41.26
CN1C=C(Br)C(OCC(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583451	0	31	-1.0	-52.66	304.29	-0.83	-53.49
CC(C)(C)OC(=O)NCCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025583452	0	50	-1.0	-54.04	396.64	1.33	-52.71
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CC1	REAL300025583453	0	48	-1.0	-46.27	386.95	1.51	-44.76
C[NH+](C)C1CC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025583454	0	49	0.0	-69.83	371.89	4.62	-65.21
O=C(NCCC1=NC(=O)O[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL300025583455	0	29	-1.0	-53.41	284.06	0.83	-52.58
CC(C)(C)OC(=O)NC(CC1=NC=CC(=O)N1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583456	0	49	-1.0	-56.76	403.93	0.24	-56.52
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583457	0	50	-1.0	-48.23	406.78	0.03	-48.20
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=CC=CC2=N1	REAL300025583458	0	36	-1.0	-48.41	316.62	3.10	-45.31
CC1=CC(F)=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583459	0	37	-1.0	-44.73	320.95	3.95	-40.78
CC1=CC=C(F)C=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583460	0	37	-1.0	-43.19	318.72	3.89	-39.30
CC(C)(C)OC(=O)NC[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]1C(F)(F)F	REAL300025583461	0	47	-1.0	-44.84	394.97	1.63	-43.21
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583462	0	51	-1.0	-46.90	393.39	3.98	-42.92
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C12CC2	REAL300025583463	0	48	-1.0	-52.51	381.65	2.69	-49.82
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025583464	0	50	-1.0	-52.96	399.13	2.89	-50.07
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583465	0	47	-1.0	-49.08	386.81	0.96	-48.12
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583466	0	53	-1.0	-47.58	410.84	3.26	-44.32
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300025583467	0	36	-1.0	-49.18	322.54	3.91	-45.27
COC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL300025583468	0	36	-1.0	-50.10	316.43	1.03	-49.07
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583469	0	47	-1.0	-47.82	387.52	1.03	-46.79
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025583470	0	52	-1.0	-47.10	403.69	2.65	-44.45
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCCC3=NC(=O)O[N-]3)C[C@H]12	REAL300025583471	0	45	-1.0	-48.41	372.13	1.01	-47.40
CC(C)(C)OC(=O)NC(CC1=CC(=O)NC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583472	0	50	-1.0	-54.26	401.63	-0.70	-54.96
CC(C)(C)OC(=O)NCC1=C(F)C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583473	0	47	-1.0	-53.37	390.10	2.36	-51.01
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583474	0	43	-1.0	-48.45	370.25	4.66	-43.79
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2=CC=CC=C2)N=C(C(F)(F)F)S1	REAL300025583475	0	36	-1.0	-43.34	345.49	3.31	-40.03
CCCN(CCC)S(=O)(=O)C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583476	0	50	-1.0	-64.93	413.98	4.46	-60.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C2C=CC=CN2C(Br)=N1	REAL300025583477	0	30	-1.0	-48.98	293.11	2.61	-46.37
CC(C)(C)OC(=O)N1CC2(C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1)OCCO2	REAL300025583478	0	50	-1.0	-55.18	400.88	1.13	-54.05
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025583479	0	51	-1.0	-54.71	395.17	2.84	-51.87
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)C[C@H]1C1=CC=CC=C1	REAL300025583480	0	51	-1.0	-51.88	415.10	3.10	-48.78
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300025583481	0	37	-1.0	-47.74	339.50	4.40	-43.34
CS(=O)(=O)C1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)=C1	REAL300025583482	0	46	-1.0	-55.35	383.47	2.32	-53.03
O=C(CC1=CC=C(Br)C(Cl)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025583483	0	30	-1.0	-49.52	308.92	3.33	-46.19
COCCN1C=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025583484	0	37	-1.0	-58.87	318.76	1.19	-57.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL300025583485	0	35	-1.0	-54.73	298.17	1.14	-53.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300025583486	0	30	-1.0	-51.19	303.34	1.19	-50.00
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583488	0	33	-1.0	-41.67	297.86	2.78	-38.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL300025583489	0	37	-1.0	-54.04	309.51	2.50	-51.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300025583490	0	32	-1.0	-57.66	305.92	2.11	-55.55
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025583491	0	30	-1.0	-42.46	288.53	2.37	-40.09
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025583492	0	30	-1.0	-45.84	288.42	2.38	-43.46
CCC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583493	0	36	-1.0	-42.37	308.73	3.27	-39.10
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NCCC1=NC(=O)O[N-]1	REAL300025583494	0	38	-1.0	-57.71	327.47	2.59	-55.12
CN1C2=C(CCCC1=O)OC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583495	0	38	-1.0	-53.40	317.34	1.09	-52.31
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025583496	0	44	-1.0	-49.00	369.89	4.03	-44.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL300025583497	0	29	-1.0	-44.76	294.05	1.48	-43.28
COC1=C2NC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025583498	0	38	-1.0	-51.91	329.36	1.56	-50.35
O=C(CC1=CNC2=C(OCC3=CC=CC=C3)C=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025583499	0	48	-1.0	-52.55	411.12	5.54	-47.01
O=C(CC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12)NCCC1=NC(=O)O[N-]1	REAL300025583500	0	48	-1.0	-52.94	409.74	5.58	-47.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300025583501	0	31	-1.0	-44.35	300.00	2.03	-42.32
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025583502	0	39	-1.0	-50.59	339.45	3.35	-47.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL300025583503	0	34	-1.0	-48.59	304.96	0.24	-48.35
CC1=C(Br)C(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025583504	0	33	-1.0	-54.28	302.17	1.97	-52.31
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1	REAL300025583505	0	37	-1.0	-52.42	341.41	4.25	-48.17
CS(C)(=O)=NC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583506	0	36	-1.0	-61.64	321.34	-1.85	-63.49
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC(F)=C2N1	REAL300025583507	0	31	-1.0	-44.47	304.48	2.13	-42.34
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300025583508	0	44	-1.0	-46.54	368.80	5.58	-40.96
COC(=O)C1=CSC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583509	0	33	-1.0	-50.97	314.36	2.01	-48.96
COC(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583510	0	36	-1.0	-53.22	327.29	2.91	-50.31
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025583511	0	44	-1.0	-49.51	369.95	4.03	-45.48
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL300025583512	0	41	-1.0	-50.98	325.15	-0.38	-51.36
COC(=O)C1=C2CCCCC2=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583513	0	40	-1.0	-43.44	347.19	3.71	-39.73
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2CCOCC2)=NO1	REAL300025583514	0	39	-1.0	-54.79	327.30	0.82	-53.97
O=C(NCCC1=NC(=O)O[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL300025583515	0	38	-1.0	-55.38	333.88	3.73	-51.65
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025583516	0	44	-1.0	-48.90	369.71	4.05	-44.85
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(=O)COC2=CC(Br)=C1	REAL300025583517	0	33	-1.0	-47.94	310.43	-0.21	-48.15
CC1=C(Br)C(=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=CN1C1CC1	REAL300025583518	0	37	-1.0	-52.62	330.12	3.41	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCCCC2=NNC1=O	REAL300025583519	0	36	-1.0	-45.25	297.99	-0.20	-45.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300025583520	0	41	-1.0	-57.56	349.20	-1.47	-59.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)S1	REAL300025583521	0	37	-1.0	-46.20	326.49	0.26	-45.94
O=C(NCCC1=NC(=O)O[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL300025583522	0	32	-1.0	-42.09	292.72	0.11	-41.98
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583523	0	35	-1.0	-44.13	305.46	3.57	-40.56
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1CC(F)(F)F	REAL300025583524	0	33	-1.0	-48.97	308.28	1.06	-47.91
COCCOC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583525	0	38	-1.0	-47.33	349.55	1.66	-45.67
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC(Cl)=C21	REAL300025583526	0	34	-1.0	-50.91	309.13	3.53	-47.38
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583527	0	36	-1.0	-43.05	320.54	3.23	-39.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL300025583528	0	32	-1.0	-43.29	296.10	0.22	-43.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL300025583529	0	32	-1.0	-46.30	285.53	2.08	-44.22
CN1N=NC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583530	0	36	-1.0	-50.57	312.88	1.31	-49.26
CC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025583531	0	37	-1.0	-54.61	316.19	2.13	-52.48
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)N1SC2=CC=CC=C2C1=O	REAL300025583532	0	42	-1.0	-58.71	366.34	5.25	-53.46
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)N1C=C(I)C=N1	REAL300025583533	0	33	-1.0	-52.20	310.83	1.97	-50.23
CC(C)(C)OC(=O)N1CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583534	0	45	-1.0	-54.90	361.00	2.89	-52.01
CC1=C(F)C=CC=C1C1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583535	0	37	-1.0	-46.67	317.59	3.85	-42.82
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CS2)CCCC1	REAL300025583536	0	37	-1.0	-44.39	311.41	3.74	-40.65
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300025583537	0	37	-1.0	-48.32	346.46	2.38	-45.94
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CS1)C1CCCCC1	REAL300025583538	0	43	-1.0	-45.15	355.33	5.08	-40.07
CCOC(=O)C12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025583539	0	46	-1.0	-47.46	364.24	4.05	-43.41
O=C(CCC1=CC=C2OC=NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025583540	0	35	-1.0	-50.34	311.06	-0.07	-50.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCSC2)N=C1Cl	REAL300025583541	0	34	-1.0	-47.99	314.54	2.41	-45.58
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025583542	0	44	-1.0	-48.84	370.13	0.52	-48.32
O=C(CC1=CC(Cl)=CC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025583543	0	30	-1.0	-46.47	305.96	3.33	-43.14
CN1N=C(C(F)(F)F)C=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025583544	0	33	-1.0	-51.82	310.29	0.73	-51.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC(OC(F)F)=C2O1	REAL300025583545	0	34	-1.0	-45.95	313.81	1.50	-44.45
CCC1=CN2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=N1	REAL300025583546	0	40	-1.0	-47.82	331.47	3.02	-44.80
O=C(CC1CCCC2CCCCC12)NCCC1=NC(=O)O[N-]1	REAL300025583547	0	46	-1.0	-45.14	345.72	4.66	-40.48
COC1=C2C(C(=O)NCCC3=NC(=O)O[N-]3)=CSC2=CC=C1	REAL300025583548	0	34	-1.0	-49.86	303.34	3.58	-46.28
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC(Br)=CN2C=N1	REAL300025583549	0	27	-1.0	-49.06	285.94	2.60	-46.46
CCOC1=CC=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583550	0	33	-1.0	-48.30	306.74	1.74	-46.56
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CNC2=CC=C(F)C=C12	REAL300025583551	0	33	-1.0	-44.50	302.77	1.49	-43.01
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583552	0	48	-1.0	-52.31	378.52	1.25	-51.06
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CO1)C2	REAL300025583553	0	52	-1.0	-48.29	415.72	0.08	-48.21
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583554	0	48	-1.0	-52.97	380.20	3.21	-49.76
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025583555	0	51	-1.0	-46.09	400.13	1.55	-44.54
CCO[C@@H]1C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300025583556	0	51	-1.0	-52.22	411.87	1.82	-50.40
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC2CC2C1	REAL300025583557	0	51	-1.0	-43.63	395.49	2.74	-40.89
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025583558	0	47	-1.0	-52.34	396.38	-0.08	-52.42
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025583559	0	47	-1.0	-46.64	376.07	2.27	-44.37
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583560	0	56	0.0	-78.78	431.83	1.98	-76.80
CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583560	1	55	-1.0	-50.51	429.83	-0.22	-50.73
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(CN2C=CC=N2)=C1	REAL300025583561	0	34	-1.0	-54.73	310.97	1.35	-53.38
COC1=CC=C(Cl)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583562	0	31	-1.0	-50.09	298.67	1.29	-48.80
COC1=CC(Br)=CC=C1C(=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025583563	0	33	-1.0	-41.15	312.45	2.55	-38.60
CN(C)C1=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2O1	REAL300025583564	0	37	-1.0	-57.45	321.92	0.42	-57.03
CS(C)(=O)=NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583565	0	34	-1.0	-62.71	318.68	-1.02	-63.73
O=C(CCC(=O)C1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025583566	0	32	-1.0	-44.56	321.89	2.56	-42.00
CCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583567	0	34	-2.0	-95.23	319.47	0.20	-95.03
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583568	0	39	-2.0	-107.73	345.30	2.08	-105.65
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583569	0	40	-2.0	-109.70	347.02	2.68	-107.02
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583570	0	37	-2.0	-110.42	334.36	1.90	-108.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583571	0	30	-2.0	-89.50	293.04	0.06	-89.44
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025583572	0	30	-2.0	-108.60	303.94	0.38	-108.22
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583573	0	30	-2.0	-94.04	291.44	-0.01	-94.05
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583574	0	33	-2.0	-93.54	307.48	0.53	-93.01
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583575	0	30	-2.0	-95.97	291.43	-0.00	-95.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025583576	0	36	-2.0	-110.22	322.98	1.42	-108.80
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583577	0	30	-2.0	-95.22	306.03	-0.06	-95.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583578	0	33	-2.0	-108.74	306.07	0.89	-107.85
O=C([O-])C1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583579	0	27	-2.0	-92.70	284.62	-0.98	-93.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583580	0	36	-2.0	-107.82	322.79	1.77	-106.05
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583581	0	31	-2.0	-94.64	298.08	-0.67	-95.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583582	0	30	-2.0	-99.20	300.56	-0.32	-99.52
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025583583	0	33	-2.0	-117.82	305.85	0.36	-117.46
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1F	REAL300025583584	0	30	-2.0	-89.47	297.55	0.08	-89.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583585	0	33	-2.0	-94.91	301.38	0.66	-94.25
CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583586	0	36	-2.0	-111.59	325.67	1.18	-110.41
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(=O)[O-]	REAL300025583587	0	33	-2.0	-96.01	307.45	0.53	-95.48
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025583588	0	30	-2.0	-91.93	307.82	0.74	-91.19
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025583589	0	33	-2.0	-93.00	321.56	0.80	-92.20
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583590	0	30	-2.0	-106.34	299.92	-0.05	-106.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583591	0	33	-2.0	-101.53	311.24	0.94	-100.59
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025583592	0	30	-2.0	-107.68	307.68	0.48	-107.20
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583593	0	37	-2.0	-92.65	347.89	-1.42	-94.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583594	0	38	-2.0	-92.00	343.30	1.12	-90.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583595	0	37	-2.0	-92.47	334.12	0.60	-91.87
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1CC(=O)[O-]	REAL300025583596	0	37	-2.0	-98.37	341.91	0.12	-98.25
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583597	0	36	-2.0	-109.07	322.36	1.43	-107.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583598	0	34	-2.0	-109.48	314.85	-1.06	-110.54
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1OC	REAL300025583599	0	38	-2.0	-112.79	349.75	-0.20	-112.99
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025583600	0	41	-2.0	-90.22	368.28	1.05	-89.17
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583601	0	37	-2.0	-99.67	340.57	0.97	-98.70
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025583602	0	27	-2.0	-88.46	289.44	-0.71	-89.17
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025583603	0	27	-2.0	-93.52	283.09	-0.99	-94.51
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583604	0	30	-2.0	-104.28	296.19	-0.91	-105.19
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025583605	0	36	-2.0	-99.53	333.60	-0.24	-99.77
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583606	0	40	-2.0	-93.51	371.19	1.24	-92.27
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583607	0	34	-2.0	-92.84	338.54	0.81	-92.03
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)[O-]	REAL300025583608	0	37	-2.0	-93.68	342.60	0.98	-92.70
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCCCC(=O)[O-]	REAL300025583609	0	43	-2.0	-93.73	385.04	1.91	-91.82
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL300025583610	0	30	-2.0	-102.39	319.12	0.84	-101.55
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583611	0	30	-2.0	-86.74	308.21	0.51	-86.23
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583612	0	27	-2.0	-92.88	299.74	-0.47	-93.35
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1C(=O)[O-]	REAL300025583613	0	36	-2.0	-99.37	325.24	1.39	-97.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583614	0	33	-2.0	-97.63	306.06	0.90	-96.73
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583615	0	30	-2.0	-90.05	312.73	0.60	-89.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583616	0	30	-2.0	-90.00	297.84	0.06	-89.94
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025583617	0	30	-2.0	-93.71	293.03	0.04	-93.67
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583618	0	30	-2.0	-99.02	295.97	0.03	-98.99
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583619	0	33	-2.0	-102.38	319.95	1.31	-101.07
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1F	REAL300025583620	0	30	-2.0	-105.08	312.16	0.52	-104.56
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(F)=C1Cl	REAL300025583621	0	30	-2.0	-101.91	309.81	0.43	-101.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583622	0	33	-2.0	-90.75	309.94	0.38	-90.37
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025583623	0	30	-2.0	-87.14	305.53	0.43	-86.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583624	0	34	-2.0	-92.00	311.82	-0.18	-92.18
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025583625	0	31	-2.0	-95.64	300.25	-1.96	-97.60
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583626	0	34	-2.0	-97.04	322.89	1.28	-95.76
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583627	0	30	-2.0	-100.07	307.84	0.75	-99.32
O=C([O-])CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583628	0	36	-2.0	-92.79	335.00	1.58	-91.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583629	0	30	-2.0	-90.54	289.66	-0.25	-90.79
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583630	0	33	-2.0	-93.84	313.60	0.77	-93.07
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583631	0	34	-2.0	-117.63	318.73	0.06	-117.57
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583632	0	34	-2.0	-94.07	322.51	0.27	-93.80
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583633	0	34	-2.0	-94.36	328.73	0.34	-94.02
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025583634	0	30	-2.0	-95.49	289.65	-0.24	-95.73
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583635	0	30	-2.0	-95.20	303.94	0.39	-94.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583636	0	33	-2.0	-118.00	309.31	0.39	-117.61
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583637	0	38	-2.0	-94.60	355.18	1.40	-93.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583638	0	30	-2.0	-87.74	295.95	-0.19	-87.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025583638	1	29	-3.0	-159.59	300.95	-0.27	-159.86
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1C	REAL300025583639	0	36	-2.0	-114.24	328.24	1.16	-113.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583640	0	32	-2.0	-88.21	319.63	0.66	-87.55
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1C(=O)[O-]	REAL300025583641	0	34	-2.0	-98.92	320.29	0.10	-98.82
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025583642	0	30	-2.0	-94.29	307.68	0.49	-93.80
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1F	REAL300025583643	0	33	-2.0	-95.19	316.27	0.64	-94.55
CC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583644	0	33	-2.0	-90.18	305.73	0.28	-89.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025583645	0	33	-2.0	-89.85	311.74	0.63	-89.22
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300025583646	0	33	-2.0	-92.39	322.66	0.95	-91.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583647	0	33	-2.0	-90.66	317.39	1.26	-89.40
COC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583648	0	34	-2.0	-94.25	320.28	0.11	-94.14
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025583649	0	34	-2.0	-94.37	328.32	0.34	-94.03
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025583650	0	32	-2.0	-88.93	308.88	1.50	-87.43
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583651	0	27	-2.0	-98.29	283.71	-0.88	-99.17
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583652	0	33	-2.0	-93.19	313.61	0.76	-92.43
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025583653	0	32	-2.0	-118.47	318.02	1.08	-117.39
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1CC(=O)[O-]	REAL300025583654	0	42	-2.0	-96.07	352.78	2.65	-93.42
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025583655	0	32	-2.0	-99.07	314.89	1.78	-97.29
CC(C)(C)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583656	0	39	-2.0	-102.62	341.42	1.75	-100.87
CC1=C(Cl)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583657	0	33	-2.0	-105.66	325.18	1.06	-104.60
CC1=C(F)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583658	0	33	-2.0	-104.70	316.38	0.67	-104.03
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025583659	0	36	-2.0	-119.05	332.48	2.12	-116.93
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025583660	0	30	-2.0	-88.22	300.38	-0.17	-88.39
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025583660	1	29	-3.0	-155.79	305.34	-0.25	-156.04
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025583661	0	41	-2.0	-97.57	370.90	0.61	-96.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583662	0	34	-2.0	-92.89	311.88	-0.17	-93.06
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583663	0	30	-2.0	-117.96	287.78	-0.29	-118.25
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1	REAL300025583664	0	32	-3.0	-174.72	319.84	0.55	-174.17
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583665	0	34	-2.0	-112.82	312.61	-1.01	-113.83
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583666	0	30	-3.0	-172.33	289.84	-1.38	-173.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583666	1	31	-2.0	-104.90	300.88	-2.28	-107.18
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583667	0	29	-2.0	-92.28	287.64	-1.89	-94.17
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(=O)[O-])=NN1	REAL300025583668	0	30	-2.0	-98.30	284.36	-2.11	-100.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583669	0	33	-2.0	-109.55	310.61	0.93	-108.62
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)O1	REAL300025583670	0	27	-2.0	-89.84	282.98	-1.41	-91.25
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025583671	0	34	-2.0	-108.86	335.23	0.54	-108.32
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583672	0	30	-2.0	-118.86	292.38	-0.26	-119.12
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL300025583673	0	30	-2.0	-104.83	302.27	0.08	-104.75
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025583674	0	37	-2.0	-98.25	336.88	1.88	-96.37
CCC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583675	0	33	-2.0	-103.71	315.78	-0.10	-103.81
CCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583676	0	31	-2.0	-96.10	297.37	-0.31	-96.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583677	0	36	-2.0	-93.50	323.25	1.57	-91.93
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583678	0	37	-2.0	-93.99	324.97	2.16	-91.83
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583679	0	34	-2.0	-94.70	312.29	1.37	-93.33
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583680	0	27	-2.0	-88.92	270.96	-0.47	-89.39
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025583681	0	27	-2.0	-91.64	281.86	-0.13	-91.77
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583682	0	30	-2.0	-96.27	285.40	0.01	-96.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025583683	0	33	-2.0	-94.52	300.97	0.91	-93.61
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025583684	0	27	-2.0	-87.30	283.94	-0.58	-87.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583685	0	30	-2.0	-93.68	283.99	0.38	-93.30
O=C([O-])C1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583686	0	24	-2.0	-91.25	262.55	-1.50	-92.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583687	0	33	-2.0	-93.44	301.04	1.25	-92.19
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583688	0	28	-2.0	-95.27	276.00	-1.18	-96.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583689	0	27	-2.0	-87.71	278.48	-0.84	-88.55
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025583690	0	30	-2.0	-99.81	283.77	-0.14	-99.95
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1F	REAL300025583691	0	27	-2.0	-88.32	275.53	-0.45	-88.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583692	0	30	-2.0	-93.60	278.52	0.24	-93.36
CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583693	0	33	-2.0	-96.35	303.64	0.66	-95.69
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(=O)[O-]	REAL300025583694	0	30	-2.0	-88.13	285.36	0.02	-88.11
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025583695	0	27	-2.0	-85.61	285.76	0.22	-85.39
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025583696	0	30	-2.0	-86.81	299.48	0.28	-86.53
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583697	0	27	-2.0	-91.97	279.17	-0.64	-92.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583698	0	30	-2.0	-87.23	289.11	0.42	-86.81
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025583699	0	27	-2.0	-90.82	285.60	-0.03	-90.85
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583700	0	34	-2.0	-85.72	325.83	-1.94	-87.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583701	0	35	-2.0	-94.57	321.21	0.59	-93.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583702	0	34	-2.0	-96.21	312.05	0.08	-96.13
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1CC(=O)[O-]	REAL300025583703	0	34	-2.0	-99.48	319.82	-0.39	-99.87
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583704	0	33	-2.0	-93.61	300.26	0.94	-92.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583705	0	31	-2.0	-94.45	293.62	-1.66	-96.11
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1OC	REAL300025583706	0	35	-2.0	-94.86	327.64	-0.71	-95.57
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025583707	0	38	-2.0	-85.21	346.20	0.53	-84.68
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583708	0	34	-2.0	-102.73	318.49	0.45	-102.28
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025583709	0	24	-2.0	-86.14	267.36	-1.24	-87.38
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025583710	0	24	-2.0	-93.81	261.01	-1.50	-95.31
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583711	0	27	-2.0	-90.51	273.28	-1.41	-91.92
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025583712	0	33	-2.0	-99.97	311.53	-0.75	-100.72
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025583713	0	37	-2.0	-91.09	349.11	0.73	-90.36
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583714	0	31	-2.0	-88.74	316.46	0.30	-88.44
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583715	0	37	-2.0	-89.96	358.91	1.21	-88.75
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)[O-]	REAL300025583716	0	34	-2.0	-88.58	320.51	0.47	-88.11
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCCCC(=O)[O-]	REAL300025583717	0	40	-2.0	-89.27	362.96	1.40	-87.87
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL300025583718	0	27	-2.0	-86.69	297.04	0.33	-86.36
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583719	0	27	-2.0	-84.03	286.09	-0.01	-84.04
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025583720	0	24	-2.0	-84.11	277.66	-0.98	-85.09
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C(=O)[O-]	REAL300025583721	0	33	-2.0	-97.91	303.31	0.86	-97.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583722	0	30	-2.0	-88.26	283.99	0.38	-87.88
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583723	0	27	-2.0	-89.90	290.65	0.09	-89.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583724	0	27	-2.0	-89.49	275.77	-0.46	-89.95
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583725	0	30	-2.0	-88.04	300.60	0.75	-87.29
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025583726	0	27	-2.0	-84.97	270.93	-0.48	-85.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025583727	0	27	-2.0	-90.03	273.89	-0.48	-90.51
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583728	0	30	-2.0	-88.01	297.84	0.82	-87.19
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1F	REAL300025583729	0	27	-2.0	-89.10	290.07	0.01	-89.09
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1Cl	REAL300025583730	0	27	-2.0	-86.35	287.72	-0.08	-86.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025583731	0	30	-2.0	-89.51	287.80	-0.15	-89.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025583732	0	30	-2.0	-88.87	303.91	0.79	-88.08
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025583733	0	27	-2.0	-86.01	283.39	-0.10	-86.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583734	0	31	-2.0	-95.66	289.74	-0.70	-96.36
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025583735	0	28	-2.0	-97.75	278.16	-2.48	-100.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583736	0	31	-2.0	-90.38	300.83	0.77	-89.61
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583737	0	27	-2.0	-88.11	285.78	0.23	-87.88
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583738	0	33	-2.0	-88.62	312.93	1.07	-87.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583739	0	27	-2.0	-89.26	267.57	-0.78	-90.04
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583740	0	30	-2.0	-90.63	291.54	0.26	-90.37
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583741	0	31	-2.0	-99.85	296.65	-0.46	-100.31
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583742	0	31	-2.0	-88.50	300.42	-0.24	-88.74
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025583743	0	31	-2.0	-90.43	306.66	-0.18	-90.61
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025583744	0	27	-2.0	-85.46	267.54	-0.77	-86.23
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583745	0	27	-2.0	-86.90	281.86	-0.12	-87.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583746	0	30	-2.0	-97.86	287.16	-0.15	-98.01
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583747	0	35	-2.0	-88.44	333.10	0.89	-87.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583748	0	27	-2.0	-83.31	273.82	-0.71	-84.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025583748	1	26	-3.0	-164.75	279.80	-1.08	-165.83
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1C	REAL300025583749	0	33	-2.0	-98.36	306.85	0.68	-97.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583750	0	29	-2.0	-84.39	297.55	0.15	-84.24
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Br)C=C1F	REAL300025583751	0	27	-2.0	-87.57	290.26	0.27	-87.30
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1C(=O)[O-]	REAL300025583752	0	31	-2.0	-89.55	298.18	-0.42	-89.97
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025583753	0	27	-2.0	-86.08	285.60	-0.02	-86.10
CC1=C(Br)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583754	0	30	-2.0	-89.39	307.24	0.64	-88.75
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583755	0	30	-2.0	-88.20	301.87	0.91	-87.29
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1F	REAL300025583756	0	30	-2.0	-95.10	294.19	0.13	-94.97
CC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583757	0	30	-2.0	-89.16	283.64	-0.24	-89.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025583758	0	30	-2.0	-89.45	289.58	0.09	-89.36
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300025583759	0	30	-2.0	-92.29	300.57	0.44	-91.85
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583760	0	30	-2.0	-87.99	296.03	0.65	-87.34
COC1=CC(Cl)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583761	0	31	-2.0	-94.23	298.20	-0.41	-94.64
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025583762	0	31	-2.0	-85.36	306.28	-0.19	-85.55
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025583763	0	29	-2.0	-86.01	286.72	0.97	-85.04
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025583764	0	24	-2.0	-87.44	261.63	-1.39	-88.83
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583765	0	30	-2.0	-93.56	291.53	0.25	-93.31
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025583766	0	29	-2.0	-99.53	295.93	0.56	-98.97
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1CC(=O)[O-]	REAL300025583767	0	39	-2.0	-95.30	326.76	1.98	-93.32
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025583768	0	29	-2.0	-104.80	292.94	1.33	-103.47
CC(C)(C)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583769	0	36	-2.0	-97.04	319.46	1.21	-95.83
CC1=C(Cl)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583770	0	30	-2.0	-89.26	303.14	0.55	-88.71
CC1=C(F)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583771	0	30	-2.0	-88.50	294.32	0.15	-88.35
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025583772	0	33	-2.0	-99.90	310.40	1.61	-98.29
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025583773	0	38	-2.0	-93.73	348.90	0.04	-93.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583774	0	31	-2.0	-88.20	289.78	-0.70	-88.90
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025583775	0	27	-2.0	-97.99	265.70	-0.82	-98.81
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1	REAL300025583776	0	29	-3.0	-160.88	297.77	0.04	-160.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583777	0	31	-2.0	-97.48	298.07	-1.41	-98.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583778	0	27	-3.0	-161.58	267.76	-1.91	-163.49
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583778	1	28	-2.0	-92.19	278.77	-2.79	-94.98
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583779	0	26	-2.0	-89.73	265.57	-2.40	-92.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583780	0	30	-2.0	-93.45	289.36	0.33	-93.12
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)O1	REAL300025583781	0	24	-2.0	-84.84	260.89	-1.91	-86.75
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025583782	0	31	-2.0	-92.12	313.14	0.03	-92.09
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025583783	0	27	-2.0	-98.35	270.31	-0.78	-99.13
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL300025583784	0	27	-2.0	-88.96	280.18	-0.43	-89.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025583785	0	34	-2.0	-91.74	314.81	1.36	-90.38
CCC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583786	0	30	-2.0	-90.00	293.70	-0.60	-90.60
N#CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583787	0	37	-1.0	-58.21	331.12	-2.72	-60.93
N#CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583788	0	37	-1.0	-55.10	359.98	-3.83	-58.93
N#CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583789	0	37	-1.0	-50.52	359.97	-3.83	-54.35
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)NC2=CC=NC=C2)[N-]O1	REAL300025583790	0	41	-1.0	-51.94	380.50	-3.97	-55.91
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)NC2=CC=CC=N2)[N-]O1	REAL300025583791	0	41	-1.0	-53.00	377.33	-2.56	-55.56
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=CC=CC=N2)[N-]O1	REAL300025583791	1	40	-2.0	-97.92	377.24	-2.68	-100.60
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NC=CS2)[N-]O1	REAL300025583792	0	37	-2.0	-94.71	367.73	-3.88	-98.59
CN1N=CN=C1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583793	0	40	-2.0	-95.51	380.66	-1.47	-96.98
CN1N=CN=C1NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583793	1	41	-1.0	-54.02	381.01	-1.42	-55.44
CN1C=CC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583794	0	41	-2.0	-104.77	386.27	-3.35	-108.12
CN1C=CC(NS(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583794	1	42	-1.0	-55.11	386.95	-3.39	-58.50
CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583795	0	39	-1.0	-53.86	367.35	-3.33	-57.19
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NN=CS2)[N-]O1	REAL300025583796	0	36	-2.0	-95.76	363.28	-4.78	-100.54
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)NC2=CC=CN=C2)[N-]O1	REAL300025583797	0	41	-1.0	-53.38	380.44	-3.98	-57.36
CC1=NON=C1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583798	0	39	-2.0	-95.59	377.24	-4.28	-99.87
C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583799	0	39	-1.0	-54.87	366.38	-4.68	-59.55
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NNC=N2)[N-]O1	REAL300025583800	0	37	-2.0	-102.40	357.89	-2.60	-105.00
CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583801	0	42	-1.0	-52.47	387.69	-3.88	-56.35
CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583802	0	45	-1.0	-52.38	402.83	-3.55	-55.93
CC1=CC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025583803	0	40	-2.0	-101.57	380.27	-2.92	-104.49
C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583804	0	41	-1.0	-54.74	394.77	-1.92	-56.66
CC1=CN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025583805	0	40	-2.0	-99.70	380.48	-6.56	-106.26
N#CCNS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583806	0	36	-1.0	-58.00	347.67	-5.28	-63.28
CC(C)(C)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583807	0	44	-1.0	-50.92	374.80	-3.92	-54.84
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NSN=C2)[N-]O1	REAL300025583808	0	36	-2.0	-91.17	361.76	-5.01	-96.18
CCCC(C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583809	0	45	-1.0	-52.40	409.27	-3.11	-55.51
C[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583810	0	39	-1.0	-56.66	364.09	-4.76	-61.42
N#CC1(NS(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583811	0	40	-1.0	-52.14	371.39	-4.35	-56.49
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)[N-]O1	REAL300025583812	0	37	-2.0	-86.36	365.76	-4.92	-91.28
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NOC=C2)[N-]O1	REAL300025583813	0	37	-2.0	-100.24	358.34	-3.74	-103.98
N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583814	0	40	-1.0	-60.21	388.33	-2.68	-62.89
CC(C)N(CC#N)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583815	0	45	-1.0	-52.57	401.71	-2.22	-54.79
CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583816	0	42	-1.0	-53.50	388.52	-2.42	-55.92
N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583817	0	43	-1.0	-58.54	394.52	-2.00	-60.54
CC1=CON=C1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583818	0	40	-2.0	-101.13	380.29	-3.04	-104.17
CC(C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583819	0	39	-1.0	-56.70	364.09	-4.76	-61.46
COCC(C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583820	0	43	-1.0	-61.84	400.17	-5.55	-67.39
COCC(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583820	1	42	-2.0	-92.06	396.43	-5.94	-98.00
CN1C=NC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583821	0	40	-2.0	-105.67	380.90	-1.36	-107.03
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NC=CC=N2)[N-]O1	REAL300025583822	0	39	-2.0	-99.95	371.87	-2.36	-102.31
CC(C#N)N(C)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583823	0	42	-1.0	-51.58	385.63	-2.95	-54.53
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)NCC(F)F)[N-]O1	REAL300025583824	0	38	-1.0	-55.58	360.94	-4.68	-60.26
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)[N-]O1	REAL300025583824	1	37	-2.0	-91.73	359.20	-5.07	-96.80
CC1=NNC=C1NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583825	0	42	-1.0	-51.33	384.47	-5.08	-56.41
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)NC2=CC=NN=C2)[N-]O1	REAL300025583826	0	40	-1.0	-54.23	371.55	-4.91	-59.14
CC1=NC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025583827	0	39	-2.0	-102.64	374.81	-4.25	-106.89
CN1N=CC=C1NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583828	0	42	-1.0	-53.28	380.59	-3.69	-56.97
CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583829	0	45	-1.0	-58.09	406.88	-3.38	-61.47
CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583830	0	45	-1.0	-57.65	397.61	-2.62	-60.27
CCC(C#N)N(C)S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583831	0	45	-1.0	-54.82	398.19	-2.20	-57.02
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)NC2=CNN=C2)[N-]O1	REAL300025583832	0	39	-1.0	-54.96	363.36	-5.71	-60.67
CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583833	0	42	-1.0	-53.27	388.85	-2.55	-55.82
C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583834	0	42	-1.0	-53.57	387.88	-3.90	-57.47
O=C1N=C(CCNS(=O)(=O)CCCCS(=O)(=O)[N-]C2=NNC=N2)[N-]O1	REAL300025583835	0	40	-2.0	-102.26	379.39	-1.81	-104.07
CC[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583836	0	45	-1.0	-52.33	409.19	-3.10	-55.43
N#CCNS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583837	0	39	-1.0	-57.03	369.17	-4.50	-61.53
CC(C)(C)NS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583838	0	47	-1.0	-51.28	396.30	-3.13	-54.41
C[C@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583839	0	42	-1.0	-56.11	385.59	-3.98	-60.09
N#CC1(NS(=O)(=O)CCCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583840	0	43	-1.0	-55.00	392.89	-3.57	-58.57
O=C1N=C(CCNS(=O)(=O)CCCCS(=O)(=O)[N-]C2=NOC=C2)[N-]O1	REAL300025583841	0	40	-2.0	-100.38	379.83	-2.96	-103.34
CCN(CC#N)S(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583842	0	45	-1.0	-52.94	410.02	-1.64	-54.58
CC(C#N)NS(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583843	0	42	-1.0	-56.13	385.59	-3.98	-60.11
CC(C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583844	0	45	-1.0	-51.68	407.13	-2.17	-53.85
O=C1N=C(CCNS(=O)(=O)CCCCS(=O)(=O)NCC(F)F)[N-]O1	REAL300025583845	0	41	-1.0	-54.82	382.44	-3.90	-58.72
O=C1N=C(CCNS(=O)(=O)CCCCS(=O)(=O)NC2=CNN=C2)[N-]O1	REAL300025583846	0	42	-1.0	-56.00	387.88	-4.99	-60.99