CCC(=O)N1CCCC1CN(C)C(=O)c1nsnc1[O-]	REAL250005077352	0	37	-1.0	-65.96	307.30	2.05	-63.91
CC(=O)N1CCCC1CN(C)C(=O)c1nsnc1[O-]	REAL250005077353	0	34	-1.0	-66.11	286.99	1.25	-64.86
CCC(=O)N(C)CC1CCCN1C(=O)c1nsnc1[O-]	REAL250005077354	0	37	-1.0	-51.53	305.61	2.05	-49.48
CC(=O)N(C)CC1CCCN1C(=O)c1nsnc1[O-]	REAL250005077355	0	34	-1.0	-51.37	284.72	1.22	-50.15
C=CC(=O)N(C)CC1CCCN1C(=O)c1nsnc1[O-]	REAL250005077356	0	35	-1.0	-51.78	296.69	1.75	-50.03
CCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077357	0	34	-1.0	-52.32	302.59	-1.24	-53.56
CC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077358	0	31	-1.0	-52.63	282.33	-2.06	-54.69
O=C(NCC1CC(NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005077359	0	35	-1.0	-52.07	313.06	-0.47	-52.54
CCCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077360	0	37	-1.0	-52.14	324.09	-0.48	-52.62
CC(C)C(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077361	0	37	-1.0	-51.86	322.14	-0.58	-52.44
NC(=O)C(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077362	0	32	-1.0	-50.83	297.94	-5.92	-56.75
C=CCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077363	0	35	-1.0	-52.35	315.50	-0.70	-53.05
O=C(CO)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077364	0	32	-1.0	-57.04	293.06	-4.17	-61.21
CCCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077365	0	37	-1.0	-51.78	324.22	-0.52	-52.30
CC(C)C(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077366	0	37	-1.0	-51.54	322.27	-0.61	-52.15
CCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077367	0	34	-1.0	-51.99	302.72	-1.28	-53.27
CC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077368	0	31	-1.0	-51.78	282.30	-2.05	-53.83
O=C(NC1CC(CNC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005077369	0	35	-1.0	-51.29	313.12	-0.47	-51.76
NC(=O)C(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077370	0	32	-1.0	-51.79	298.07	-5.96	-57.75
O=C(CO)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077371	0	32	-1.0	-56.41	293.19	-4.20	-60.61
CC(=O)C(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077372	0	33	-1.0	-50.63	304.99	-2.15	-52.78
CC=CC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077373	0	35	-1.0	-52.07	316.30	-0.67	-52.74
C=CCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077374	0	35	-1.0	-51.99	315.64	-0.74	-52.73
N#CCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077375	0	32	-1.0	-59.95	302.19	-1.61	-61.56
C=CC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077376	0	32	-1.0	-52.20	294.57	-1.56	-53.76
CC=CC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005077377	0	35	-1.0	-52.31	316.16	-0.63	-52.94
CCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077378	0	33	-1.0	-49.06	293.26	-1.27	-50.33
CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077379	0	30	-1.0	-49.41	272.97	-2.09	-51.50
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1CC1	REAL250005077380	0	34	-1.0	-50.89	296.09	-0.86	-51.75
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1CCC1	REAL250005077381	0	37	-1.0	-48.58	319.98	0.01	-48.57
CC(NC(=O)CC1CC1)C(C)NC(=O)c1nsnc1[O-]	REAL250005077382	0	37	-1.0	-49.04	324.21	0.27	-48.77
COCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077383	0	34	-1.0	-51.60	305.99	-1.90	-53.50
CCCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077384	0	36	-1.0	-48.82	314.76	-0.51	-49.33
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1CC1C	REAL250005077385	0	37	-1.0	-50.77	317.46	-0.20	-50.97
CC(C)=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077386	0	37	-1.0	-50.37	315.25	-0.32	-50.69
CC(C)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077387	0	36	-1.0	-48.53	312.81	-0.60	-49.13
C=CCCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077388	0	37	-1.0	-48.73	327.57	0.06	-48.67
CC=C(C)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077389	0	37	-1.0	-48.78	321.58	0.04	-48.74
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1(C)CC1	REAL250005077390	0	37	-1.0	-48.41	321.54	0.11	-48.30
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005077391	0	37	-1.0	-48.62	325.16	0.17	-48.45
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@H]1C[C@@H]1C	REAL250005077392	0	37	-1.0	-48.63	325.16	0.17	-48.46
CC(NC(=O)C(N)=O)C(C)NC(=O)c1nsnc1[O-]	REAL250005077393	0	31	-1.0	-48.43	288.62	-5.92	-54.35
C=CCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077394	0	34	-1.0	-49.01	306.18	-0.73	-49.74
CCC=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077395	0	37	-1.0	-50.94	320.23	-0.24	-51.18
CC(NC(=O)CN=[N+]=[N-])C(C)NC(=O)c1nsnc1[O-]	REAL250005077396	0	32	-1.0	-51.00	302.38	-5.31	-56.31
CC(NC(=O)CO)C(C)NC(=O)c1nsnc1[O-]	REAL250005077397	0	31	-1.0	-53.21	283.74	-4.19	-57.40
CC(O)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077398	0	34	-1.0	-49.38	304.06	-3.41	-52.79
CC(NC(=O)CCF)C(C)NC(=O)c1nsnc1[O-]	REAL250005077399	0	33	-1.0	-48.36	299.86	-1.13	-49.49
C#CCCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077400	0	35	-1.0	-49.12	320.54	0.01	-49.11
CC1=CC1C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077401	0	35	-1.0	-49.38	318.79	0.22	-49.16
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@@H](C)O	REAL250005077402	0	34	-1.0	-51.93	296.36	-3.77	-55.70
CC(NC(=O)C1=CCC1)C(C)NC(=O)c1nsnc1[O-]	REAL250005077403	0	35	-1.0	-51.64	306.56	-0.30	-51.94
CC(NC(=O)CC1CC1)C(C)NC(=O)c1nsnc1[O-]	REAL250005077404	0	37	-1.0	-49.04	324.21	0.27	-48.77
COCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077405	0	34	-1.0	-51.60	305.99	-1.90	-53.50
CCCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077406	0	36	-1.0	-48.82	314.76	-0.51	-49.33
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1CC1C	REAL250005077407	0	37	-1.0	-50.77	317.46	-0.20	-50.97
CC(C)=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077408	0	37	-1.0	-50.37	315.25	-0.32	-50.69
CC(C)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077409	0	36	-1.0	-48.53	312.81	-0.60	-49.13
C=CCCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077410	0	37	-1.0	-48.73	327.57	0.06	-48.67
CC(C#N)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077411	0	34	-1.0	-54.60	312.24	-0.98	-55.58
CC=C(C)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077412	0	37	-1.0	-48.78	321.58	0.04	-48.74
CCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077413	0	33	-1.0	-49.06	293.26	-1.27	-50.33
CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077414	0	30	-1.0	-49.41	272.97	-2.09	-51.50
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1CC1	REAL250005077415	0	34	-1.0	-50.89	296.09	-0.86	-51.75
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1CCC1	REAL250005077416	0	37	-1.0	-48.58	319.98	0.01	-48.57
CC(NC(=O)C(N)=O)C(C)NC(=O)c1nsnc1[O-]	REAL250005077417	0	31	-1.0	-48.43	288.62	-5.92	-54.35
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)C1(C)CC1	REAL250005077418	0	37	-1.0	-48.41	321.54	0.11	-48.30
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005077419	0	37	-1.0	-48.62	325.16	0.17	-48.45
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@H]1C[C@@H]1C	REAL250005077420	0	37	-1.0	-48.63	325.16	0.17	-48.46
CC(NC(=O)CO)C(C)NC(=O)c1nsnc1[O-]	REAL250005077421	0	31	-1.0	-53.21	283.74	-4.19	-57.40
CCC=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077422	0	37	-1.0	-50.94	320.23	-0.24	-51.18
C#CCCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077423	0	35	-1.0	-49.12	320.54	0.01	-49.11
CC(O)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077424	0	34	-1.0	-49.38	304.06	-3.41	-52.79
CC(=O)C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077425	0	32	-1.0	-47.49	295.53	-2.13	-49.62
CC(NC(=O)C1=CCC1)C(C)NC(=O)c1nsnc1[O-]	REAL250005077426	0	35	-1.0	-51.64	306.56	-0.30	-51.94
CC=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077427	0	34	-1.0	-51.13	299.14	-1.00	-52.13
CC(NC(=O)CN=[N+]=[N-])C(C)NC(=O)c1nsnc1[O-]	REAL250005077428	0	32	-1.0	-51.00	302.38	-5.31	-56.31
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@H](C)O	REAL250005077429	0	34	-1.0	-49.40	304.07	-3.41	-52.81
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005077430	0	37	-1.0	-48.62	325.16	0.17	-48.45
C=C(C)CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077431	0	37	-1.0	-48.81	327.53	-0.08	-48.89
C=CCC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077432	0	34	-1.0	-49.01	306.18	-0.73	-49.74
CC(NC(=O)CC#N)C(C)NC(=O)c1nsnc1[O-]	REAL250005077433	0	31	-1.0	-56.96	292.73	-1.59	-58.55
CC(NC(=O)CCF)C(C)NC(=O)c1nsnc1[O-]	REAL250005077434	0	33	-1.0	-48.36	299.86	-1.13	-49.49
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@@H](C)O	REAL250005077435	0	34	-1.0	-51.93	296.36	-3.77	-55.70
C=C1CC1C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077436	0	35	-1.0	-48.79	317.36	0.07	-48.72
CC1=CC1C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077437	0	35	-1.0	-49.38	318.79	0.22	-49.16
C=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077438	0	31	-1.0	-51.34	277.41	-1.89	-53.23
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@H](C)O	REAL250005077439	0	34	-1.0	-49.40	304.07	-3.41	-52.81
C=C1CC1C(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077440	0	35	-1.0	-48.79	317.36	0.07	-48.72
C=C(C)CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077441	0	37	-1.0	-48.81	327.53	-0.08	-48.89
CC=CC(=O)NC(C)C(C)NC(=O)c1nsnc1[O-]	REAL250005077442	0	34	-1.0	-51.13	299.14	-1.00	-52.13
CC(NC(=O)c1nsnc1[O-])C(C)NC(=O)[C@@H]1C[C@H]1C	REAL250005077443	0	37	-1.0	-48.62	325.16	0.17	-48.45
CC(=O)N(C)C1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005077444	0	37	-1.0	-52.06	309.73	0.36	-51.70
CC(=O)NC1CCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005077445	0	37	-1.0	-54.31	302.93	1.06	-53.25
CC(=O)N(C)CC(C)(C)CNC(=O)c1nsnc1[O-]	REAL250005077446	0	36	-1.0	-52.77	295.71	0.06	-52.71
CC(=O)NCC(C)(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077447	0	36	-1.0	-53.47	293.92	0.31	-53.16
C=CC(=O)NCC(C)(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077448	0	37	-1.0	-53.45	306.36	0.85	-52.60
CCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077449	0	33	-1.0	-46.98	285.77	0.00	-46.98
CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077450	0	30	-1.0	-47.40	265.12	-0.82	-48.22
CC(CNC(=O)C1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077451	0	34	-1.0	-47.24	295.86	0.79	-46.45
CC(CNC(=O)C1CCC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077452	0	37	-1.0	-46.35	312.51	1.28	-45.07
CC(CNC(=O)CC1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077453	0	37	-1.0	-46.87	316.65	1.52	-45.35
COCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077454	0	34	-1.0	-48.83	298.49	-0.64	-49.47
CCCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077455	0	36	-1.0	-46.80	307.27	0.77	-46.03
CC(CNC(=O)C1CC1C)N(C)C(=O)c1nsnc1[O-]	REAL250005077456	0	37	-1.0	-46.83	317.65	1.45	-45.38
CC(C)=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077457	0	37	-1.0	-47.98	315.03	1.29	-46.69
CC(C)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077458	0	36	-1.0	-46.86	305.32	0.65	-46.21
C=CCCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077459	0	37	-1.0	-46.80	320.08	1.33	-45.47
CC=C(C)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077460	0	37	-1.0	-48.03	314.03	1.27	-46.76
CC(CNC(=O)C1(C)CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077461	0	37	-1.0	-47.36	313.61	1.39	-45.97
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1nsnc1[O-]	REAL250005077462	0	37	-1.0	-46.79	317.68	1.44	-45.35
CC(CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)c1nsnc1[O-]	REAL250005077463	0	37	-1.0	-46.95	317.08	1.46	-45.49
CC(CNC(=O)C(N)=O)N(C)C(=O)c1nsnc1[O-]	REAL250005077464	0	31	-1.0	-53.12	281.06	-4.68	-57.80
C=CCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077465	0	34	-1.0	-47.05	298.68	0.54	-46.51
CCC=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077466	0	37	-1.0	-47.90	320.43	1.36	-46.54
CC(CNC(=O)CN=[N+]=[N-])N(C)C(=O)c1nsnc1[O-]	REAL250005077467	0	32	-1.0	-47.21	294.87	-4.05	-51.26
CC(CNC(=O)CO)N(C)C(=O)c1nsnc1[O-]	REAL250005077468	0	31	-1.0	-50.11	276.24	-2.92	-53.03
CC(O)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077469	0	34	-1.0	-49.52	296.85	-2.17	-51.69
CC(CNC(=O)CCF)N(C)C(=O)c1nsnc1[O-]	REAL250005077470	0	33	-1.0	-46.67	292.36	0.14	-46.53
C#CCCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077471	0	35	-1.0	-47.62	313.05	1.28	-46.34
CC1=CC1C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077472	0	35	-1.0	-48.65	311.32	1.46	-47.19
CC(CNC(=O)[C@@H](C)O)N(C)C(=O)c1nsnc1[O-]	REAL250005077473	0	34	-1.0	-47.26	296.54	-2.14	-49.40
CC(CNC(=O)C1=CCC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077474	0	35	-1.0	-48.41	306.75	1.34	-47.07
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CC1CC1	REAL250005077475	0	37	-1.0	-50.56	319.07	1.23	-49.33
COCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077476	0	34	-1.0	-52.88	300.87	-0.96	-53.84
CCCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077477	0	36	-1.0	-50.35	309.63	0.45	-49.90
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1CC1C	REAL250005077478	0	37	-1.0	-50.22	319.96	1.09	-49.13
CC(C)=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077479	0	37	-1.0	-49.70	316.95	0.96	-48.74
CC(C)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077480	0	36	-1.0	-50.31	302.58	0.08	-50.23
C=CCCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077481	0	37	-1.0	-50.51	322.44	1.02	-49.49
CC(C#N)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077482	0	34	-1.0	-55.15	302.15	-0.30	-55.45
CC=C(C)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077483	0	37	-1.0	-50.92	315.96	0.62	-50.30
CCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077484	0	33	-1.0	-50.55	288.13	-0.31	-50.86
CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077485	0	30	-1.0	-50.50	266.94	-1.15	-51.65
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1CC1	REAL250005077486	0	34	-1.0	-50.55	298.56	0.41	-50.14
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1CCC1	REAL250005077487	0	37	-1.0	-49.97	314.43	0.93	-49.04
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C(N)=O	REAL250005077488	0	31	-1.0	-48.75	281.03	-4.92	-53.67
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1(C)CC1	REAL250005077489	0	37	-1.0	-50.98	315.72	0.74	-50.24
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005077490	0	37	-1.0	-50.21	319.26	1.08	-49.13
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@H]1C[C@@H]1C	REAL250005077491	0	37	-1.0	-50.53	319.94	1.09	-49.44
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CO	REAL250005077492	0	31	-1.0	-54.34	278.62	-3.24	-57.58
CCC=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077493	0	37	-1.0	-50.17	321.99	1.03	-49.14
C#CCCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077494	0	35	-1.0	-50.49	315.41	0.97	-49.52
CC(O)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077495	0	34	-1.0	-49.44	295.67	-2.64	-52.08
CC(=O)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077496	0	32	-1.0	-48.18	287.90	-1.15	-49.33
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1=CCC1	REAL250005077497	0	35	-1.0	-51.77	304.55	0.82	-50.95
CC=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077498	0	34	-1.0	-50.45	300.90	0.27	-50.18
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CN=[N+]=[N-]	REAL250005077499	0	32	-1.0	-51.69	297.27	-4.42	-56.11
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@H](C)O	REAL250005077500	0	34	-1.0	-51.30	293.86	-2.68	-53.98
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005077501	0	37	-1.0	-50.21	319.26	1.08	-49.13
C=C(C)CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077502	0	37	-1.0	-50.00	322.71	0.88	-49.12
C=CCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077503	0	34	-1.0	-49.91	301.06	0.22	-49.69
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CC#N	REAL250005077504	0	31	-1.0	-56.86	287.61	-0.64	-57.50
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CCF	REAL250005077505	0	33	-1.0	-49.47	294.72	-0.17	-49.64
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@@H](C)O	REAL250005077506	0	34	-1.0	-54.61	294.16	-2.71	-57.32
C=C1CC1C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077507	0	35	-1.0	-50.18	312.16	0.98	-49.20
CC1=CC1C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077508	0	35	-1.0	-51.21	312.91	1.12	-50.09
C=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005077509	0	31	-1.0	-50.50	279.17	-0.61	-51.11
CC(CNC(=O)[C@H](C)O)N(C)C(=O)c1nsnc1[O-]	REAL250005077510	0	34	-1.0	-48.84	296.89	-2.16	-51.00
C=C1CC1C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077511	0	35	-1.0	-48.08	309.80	1.32	-46.76
C=C(C)CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077512	0	37	-1.0	-47.05	320.33	1.20	-45.85
CC=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005077513	0	34	-1.0	-48.03	299.29	0.59	-47.44
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1nsnc1[O-]	REAL250005077514	0	37	-1.0	-46.79	317.68	1.44	-45.35
CCC(=O)NC1CN(C(=O)c2nsnc2[O-])CCC1C	REAL250005077515	0	37	-1.0	-51.72	304.99	1.06	-50.66
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CCC1C	REAL250005077516	0	34	-1.0	-51.75	284.68	0.25	-51.50
CCC(=O)N1CCC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005077517	0	37	-1.0	-62.10	307.83	0.84	-61.26
CC(=O)N1CCC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005077518	0	34	-1.0	-49.05	285.81	-0.02	-49.07
C=CC(=O)N1CCC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005077519	0	35	-1.0	-62.56	298.57	0.54	-62.02
CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCCC1	REAL250005077520	0	37	-1.0	-54.15	303.49	-0.21	-54.36
CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCCC1	REAL250005077521	0	37	-1.0	-54.92	303.38	-0.30	-55.22
CCCCC(CNC(=O)c1nsnc1[O-])NC(C)=O	REAL250005077522	0	36	-1.0	-54.99	311.20	-0.70	-55.69
CCCCC(CNC(C)=O)NC(=O)c1nsnc1[O-]	REAL250005077523	0	36	-1.0	-45.09	314.72	-0.54	-45.63
C=CC(=O)NCC(CCCC)NC(=O)c1nsnc1[O-]	REAL250005077524	0	37	-1.0	-48.15	323.49	-0.47	-48.62
CC(=O)NCC1CCCCCN1C(=O)c1nsnc1[O-]	REAL250005077525	0	37	-1.0	-54.57	297.73	1.50	-53.07
CC(=O)N1CCCCCC1CNC(=O)c1nsnc1[O-]	REAL250005077526	0	37	-1.0	-56.59	299.54	1.26	-55.33
CCC(=O)NC(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077527	0	34	-1.0	-54.50	300.60	-0.27	-54.77
CC(=O)NC(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077528	0	31	-1.0	-54.81	280.01	-1.08	-55.89
CC(NC(=O)C1CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077529	0	35	-1.0	-53.93	311.04	0.39	-53.54
CCCC(=O)NC(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077530	0	37	-1.0	-54.38	322.10	0.49	-53.89
CC(C)C(=O)NC(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077531	0	37	-1.0	-54.08	320.15	0.40	-53.68
CC(NC(=O)C(N)=O)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077532	0	32	-1.0	-53.62	295.95	-4.93	-58.55
C=CCC(=O)NC(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077533	0	35	-1.0	-54.75	313.51	0.27	-54.48
CC(NC(=O)CO)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077534	0	32	-1.0	-59.08	291.07	-3.19	-62.27
CCCC(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077535	0	37	-1.0	-50.07	324.53	0.42	-49.65
CC(C)C(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077536	0	37	-1.0	-49.94	319.96	0.09	-49.85
CCC(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077537	0	34	-1.0	-50.32	303.02	-0.35	-50.67
CC(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077538	0	31	-1.0	-54.14	283.96	-1.14	-55.28
CC(NC(=O)c1nsnc1[O-])C1CN(C(=O)C2CC2)C1	REAL250005077539	0	35	-1.0	-50.11	313.39	0.33	-49.78
CC(NC(=O)c1nsnc1[O-])C1CN(C(=O)C(N)=O)C1	REAL250005077540	0	32	-1.0	-51.39	296.16	-5.11	-56.50
CC(NC(=O)c1nsnc1[O-])C1CN(C(=O)CO)C1	REAL250005077541	0	32	-1.0	-58.58	294.75	-3.21	-61.79
CC(=O)C(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077542	0	33	-1.0	-50.14	303.57	-1.29	-51.43
CC=CC(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077543	0	35	-1.0	-50.75	316.35	0.25	-50.50
C=CCC(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077544	0	35	-1.0	-50.31	315.93	0.19	-50.12
CC(NC(=O)c1nsnc1[O-])C1CN(C(=O)CC#N)C1	REAL250005077545	0	32	-1.0	-56.91	302.48	-0.67	-57.58
C=CC(=O)N1CC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005077546	0	32	-1.0	-50.78	294.63	-0.63	-51.41
CC=CC(=O)NC(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005077547	0	35	-1.0	-54.49	314.17	0.36	-54.13
CCC(=O)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077548	0	35	-1.0	-50.99	290.17	1.72	-49.27
CC(=O)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077549	0	32	-1.0	-51.29	268.45	0.86	-50.43
O=C(CO)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077550	0	33	-1.0	-54.96	280.64	-1.17	-56.13
CCC(=O)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077551	0	35	-1.0	-50.99	290.17	1.72	-49.27
CC(=O)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077552	0	32	-1.0	-51.29	268.45	0.86	-50.43
O=C(CO)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077553	0	33	-1.0	-54.96	280.64	-1.17	-56.13
C=CC(=O)N1CC2CCC1CN2C(=O)c1nsnc1[O-]	REAL250005077554	0	33	-1.0	-51.33	281.15	1.41	-49.92
CCC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1(C)C	REAL250005077555	0	37	-1.0	-54.66	311.21	0.50	-54.16
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1(C)C	REAL250005077556	0	34	-1.0	-53.98	291.23	-0.18	-54.16
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C(C)(C)C1	REAL250005077557	0	37	-1.0	-46.63	315.30	0.48	-46.15
CC(=O)N1CC(NC(=O)c2nsnc2[O-])C(C)(C)C1	REAL250005077558	0	34	-1.0	-46.91	290.47	-0.32	-47.23
C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C(C)(C)C1	REAL250005077559	0	35	-1.0	-47.45	306.41	0.16	-47.29
CCC(=O)NCC1C2CN(C(=O)c3nsnc3[O-])CC12	REAL250005077560	0	35	-1.0	-58.04	299.32	0.47	-57.57
CC(=O)NCC1C2CN(C(=O)c3nsnc3[O-])CC12	REAL250005077561	0	32	-1.0	-58.27	279.01	-0.34	-58.61
O=C(CO)NCC1C2CN(C(=O)c3nsnc3[O-])CC12	REAL250005077562	0	33	-1.0	-63.19	289.79	-2.45	-65.64
CCC(=O)N1CC2C(CNC(=O)c3nsnc3[O-])C2C1	REAL250005077563	0	35	-1.0	-52.83	302.74	0.19	-52.64
CC(=O)N1CC2C(CNC(=O)c3nsnc3[O-])C2C1	REAL250005077564	0	32	-1.0	-55.42	280.58	-0.24	-55.66
O=C(CO)N1CC2C(CNC(=O)c3nsnc3[O-])C2C1	REAL250005077565	0	33	-1.0	-57.29	293.21	-2.69	-59.98
C=CC(=O)N1CC2C(CNC(=O)c3nsnc3[O-])C2C1	REAL250005077566	0	33	-1.0	-53.32	293.40	-0.13	-53.45
CCC(=O)N1CC(CNC(=O)c2nsnc2[O-])CC1C	REAL250005077567	0	37	-1.0	-49.24	316.54	0.38	-48.86
CC(=O)N1CC(CNC(=O)c2nsnc2[O-])CC1C	REAL250005077568	0	34	-1.0	-49.74	296.74	-0.45	-50.19
CCC(=O)NCC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077569	0	37	-1.0	-53.66	313.42	0.60	-53.06
CC(=O)NCC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077570	0	34	-1.0	-53.98	293.13	-0.22	-54.20
C=CC(=O)NCC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077571	0	35	-1.0	-54.01	305.27	0.31	-53.70
CCC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005077572	0	37	-1.0	-54.34	311.94	-0.23	-54.57
CC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005077573	0	34	-1.0	-54.45	291.35	-1.03	-55.48
CCC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005077574	0	37	-1.0	-54.34	311.94	-0.23	-54.57
CC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005077575	0	34	-1.0	-54.45	291.35	-1.03	-55.48
C=CC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005077576	0	35	-1.0	-54.11	308.23	-0.91	-55.02
CC(=O)N1CC2(C1)CCCN(C(=O)c1nsnc1[O-])C2	REAL250005077577	0	35	-1.0	-58.67	295.44	1.22	-57.45
CC(=O)N1CCCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005077578	0	35	-1.0	-56.77	295.79	1.08	-55.69
CCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077579	0	34	-1.0	-52.29	302.58	-1.24	-53.53
CC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077580	0	31	-1.0	-52.53	282.01	-2.05	-54.58
O=C(NC[C@H]1C[C@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005077581	0	35	-1.0	-52.07	313.06	-0.47	-52.54
CCCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077582	0	37	-1.0	-52.09	324.06	-0.48	-52.57
CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077583	0	37	-1.0	-51.91	322.16	-0.57	-52.48
NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077584	0	32	-1.0	-50.82	297.95	-5.91	-56.73
C=CCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077585	0	35	-1.0	-52.41	315.50	-0.70	-53.11
O=C(CO)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077586	0	32	-1.0	-57.00	293.07	-4.18	-61.18
CCCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077587	0	37	-1.0	-51.24	324.04	-0.48	-51.72
CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077588	0	37	-1.0	-50.95	322.10	-0.57	-51.52
CCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077589	0	34	-1.0	-51.43	302.59	-1.25	-52.68
CC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077590	0	31	-1.0	-51.76	282.23	-2.05	-53.81
O=C(NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1CC1	REAL250005077591	0	35	-1.0	-51.27	313.06	-0.47	-51.74
NC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077592	0	32	-1.0	-51.68	297.90	-5.91	-57.59
O=C(CO)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077593	0	32	-1.0	-55.83	293.01	-4.16	-59.99
CC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077594	0	33	-1.0	-50.48	304.89	-2.11	-52.59
CC=CC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077595	0	35	-1.0	-51.58	316.12	-0.63	-52.21
C=CCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077596	0	35	-1.0	-51.58	315.47	-0.70	-52.28
N#CCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077597	0	32	-1.0	-59.29	302.06	-1.58	-60.87
C=CC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077598	0	32	-1.0	-51.71	294.44	-1.53	-53.24
CC=CC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077599	0	35	-1.0	-52.30	316.12	-0.62	-52.92
CCC(=O)NC(C)CCCNC(=O)c1nsnc1[O-]	REAL250005077600	0	36	-1.0	-51.36	317.75	-0.78	-52.14
CC(=O)NC(C)CCCNC(=O)c1nsnc1[O-]	REAL250005077601	0	33	-1.0	-51.63	297.16	-1.59	-53.22
CC(CCCNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005077602	0	37	-1.0	-51.17	328.27	-0.01	-51.18
C=CCC(=O)NC(C)CCCNC(=O)c1nsnc1[O-]	REAL250005077603	0	37	-1.0	-51.37	330.66	-0.24	-51.61
CC(CCCNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005077604	0	34	-1.0	-55.94	308.22	-3.70	-59.64
CCC(=O)NCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077605	0	36	-1.0	-51.05	317.75	-0.79	-51.84
CC(=O)NCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077606	0	33	-1.0	-51.36	297.16	-1.59	-52.95
CC(CCCNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005077607	0	37	-1.0	-51.03	328.27	-0.02	-51.05
CC(CCCNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005077608	0	34	-1.0	-55.29	308.22	-3.71	-59.00
CC=CC(=O)NCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077609	0	37	-1.0	-51.40	331.32	-0.18	-51.58
C=CCC(=O)NCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077610	0	37	-1.0	-51.14	330.66	-0.25	-51.39
CC(CCCNC(=O)CC#N)NC(=O)c1nsnc1[O-]	REAL250005077611	0	34	-1.0	-58.07	317.21	-1.12	-59.19
C=CC(=O)NCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077612	0	34	-1.0	-51.50	309.60	-1.07	-52.57
CC=CC(=O)NC(C)CCCNC(=O)c1nsnc1[O-]	REAL250005077613	0	37	-1.0	-51.44	331.32	-0.16	-51.60
CC(=O)NCCOCCN(C)C(=O)c1nsnc1[O-]	REAL250005077614	0	34	-1.0	-60.83	302.93	-1.02	-61.85
CC(=O)N(C)CCOCCNC(=O)c1nsnc1[O-]	REAL250005077615	0	34	-1.0	-50.49	305.82	-1.91	-52.40
CC(=O)NCC[C@@H](NC(=O)c1nsnc1[O-])C(C)C	REAL250005077616	0	36	-1.0	-58.75	310.22	-1.08	-59.83
CC(=O)N[C@H](CCNC(=O)c1nsnc1[O-])C(C)C	REAL250005077617	0	36	-1.0	-51.77	306.02	-1.29	-53.06
C=CC(=O)N[C@H](CCNC(=O)c1nsnc1[O-])C(C)C	REAL250005077618	0	37	-1.0	-51.89	318.45	-0.75	-52.64
CC(=O)NCCOCCCNC(=O)c1nsnc1[O-]	REAL250005077619	0	34	-1.0	-51.77	311.36	-3.28	-55.05
CC(=O)NCCCOCCNC(=O)c1nsnc1[O-]	REAL250005077620	0	34	-1.0	-53.04	311.66	-3.28	-56.32
CCC(=O)N(C)C(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005077621	0	37	-1.0	-50.13	315.28	0.99	-49.14
CC(=O)N(C)C(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005077622	0	34	-1.0	-50.03	299.86	0.46	-49.57
CCC(=O)NCC(C1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077623	0	37	-1.0	-46.18	316.07	1.40	-44.78
CC(=O)NCC(C1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077624	0	34	-1.0	-46.64	295.48	0.60	-46.04
C=CC(=O)NCC(C1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005077625	0	35	-1.0	-47.36	307.92	1.12	-46.24
CCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077626	0	33	-1.0	-53.48	287.36	0.05	-53.43
CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077627	0	30	-1.0	-53.87	265.57	-0.73	-54.60
CC(CN(C)C(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005077628	0	34	-1.0	-53.69	298.07	0.78	-52.91
CC(CN(C)C(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005077629	0	37	-1.0	-55.25	314.43	1.15	-54.10
CC(CN(C)C(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005077630	0	37	-1.0	-54.72	318.92	1.50	-53.22
COCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077631	0	34	-1.0	-56.45	300.08	-0.66	-57.11
CCCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077632	0	36	-1.0	-53.43	308.86	0.82	-52.61
CC(CN(C)C(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005077633	0	37	-1.0	-55.13	319.80	1.37	-53.76
CC(C)=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077634	0	37	-1.0	-54.41	316.63	1.26	-53.15
CC(C)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077635	0	36	-1.0	-53.92	302.97	0.50	-53.42
C=CCCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077636	0	37	-1.0	-53.86	321.67	1.38	-52.48
CC=C(C)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077637	0	37	-1.0	-55.23	320.53	1.20	-54.03
CC(CN(C)C(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005077638	0	37	-1.0	-54.56	315.07	1.15	-53.41
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005077639	0	37	-1.0	-55.68	321.12	1.35	-54.33
CC(CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005077640	0	37	-1.0	-55.90	320.36	1.35	-54.55
CC(CN(C)C(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005077641	0	31	-1.0	-52.84	281.52	-4.67	-57.51
C=CCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077642	0	34	-1.0	-53.97	300.27	0.59	-53.38
CCC=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077643	0	37	-1.0	-53.90	321.19	1.40	-52.50
CC(CN(C)C(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005077644	0	32	-1.0	-54.56	296.46	-4.04	-58.60
CC(CN(C)C(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005077645	0	31	-1.0	-57.58	277.83	-2.94	-60.52
CC(O)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077646	0	34	-1.0	-56.69	293.68	-2.40	-59.09
CC(CN(C)C(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005077647	0	33	-1.0	-52.51	293.95	0.19	-52.32
C#CCCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077648	0	35	-1.0	-53.69	314.64	1.34	-52.35
CC1=CC1C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077649	0	35	-1.0	-54.53	312.42	1.48	-53.05
CC(CN(C)C(=O)[C@@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005077650	0	34	-1.0	-60.25	295.30	-2.42	-62.67
CC(CN(C)C(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005077651	0	35	-1.0	-56.44	304.40	1.10	-55.34
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005077652	0	37	-1.0	-45.89	315.81	1.87	-44.02
COCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077653	0	34	-1.0	-47.45	297.64	-0.31	-47.76
CCCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077654	0	36	-1.0	-45.66	306.41	1.09	-44.57
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005077655	0	37	-1.0	-47.13	316.76	1.75	-45.38
CC(C)=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077656	0	37	-1.0	-47.62	314.28	1.64	-45.98
CC(C)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077657	0	36	-1.0	-45.18	304.46	0.97	-44.21
C=CCCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077658	0	37	-1.0	-45.56	319.23	1.65	-43.91
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C(C)C#N	REAL250005077659	0	34	-1.0	-44.23	303.89	0.59	-43.64
CC=C(C)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077660	0	37	-1.0	-47.03	312.19	1.59	-45.44
CCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077661	0	33	-1.0	-45.60	284.92	0.33	-45.27
CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077662	0	30	-1.0	-45.89	264.32	-0.50	-46.39
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005077663	0	34	-1.0	-59.59	297.36	1.03	-58.56
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005077664	0	37	-1.0	-59.35	312.51	1.53	-57.82
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005077665	0	31	-1.0	-54.61	280.26	-4.34	-58.95
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005077666	0	37	-1.0	-59.68	315.11	1.63	-58.05
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005077667	0	37	-1.0	-59.51	317.70	1.69	-57.82
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005077668	0	37	-1.0	-59.34	318.73	1.70	-57.64
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CO	REAL250005077669	0	31	-1.0	-48.24	275.38	-2.60	-50.84
CCC=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077670	0	37	-1.0	-47.36	319.58	1.70	-45.66
C#CCCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077671	0	35	-1.0	-46.66	312.20	1.61	-45.05
CC(O)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077672	0	34	-1.0	-46.62	295.72	-1.81	-48.43
CC(=O)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077673	0	32	-1.0	-52.24	286.66	-0.55	-52.79
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005077674	0	35	-1.0	-60.64	306.78	1.61	-59.03
CC=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077675	0	34	-1.0	-47.50	298.49	0.94	-46.56
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005077676	0	32	-1.0	-44.60	294.03	-3.72	-48.32
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005077677	0	34	-1.0	-60.63	296.60	-1.88	-62.51
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005077678	0	37	-1.0	-59.51	317.70	1.69	-57.82
C=C(C)CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077679	0	37	-1.0	-46.21	319.44	1.52	-44.69
C=CCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077680	0	34	-1.0	-45.72	297.83	0.87	-44.85
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005077681	0	31	-1.0	-46.05	284.38	0.00	-46.05
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005077682	0	33	-1.0	-45.36	291.50	0.46	-44.90
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@@H](C)O	REAL250005077683	0	34	-1.0	-59.06	296.60	-1.90	-60.96
C=C1CC1C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077684	0	35	-1.0	-48.28	309.00	1.67	-46.61
CC1=CC1C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077685	0	35	-1.0	-60.15	311.33	1.75	-58.40
C=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005077686	0	31	-1.0	-47.21	276.77	0.06	-47.15
CC(CN(C)C(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005077687	0	34	-1.0	-52.77	293.99	-2.32	-55.09
C=C1CC1C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077688	0	35	-1.0	-53.77	311.37	1.35	-52.42
C=C(C)CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077689	0	37	-1.0	-53.39	321.88	1.25	-52.14
CC=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077690	0	34	-1.0	-53.84	300.10	0.64	-53.20
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005077691	0	37	-1.0	-55.68	321.12	1.35	-54.33
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077692	0	34	-1.0	-49.10	295.30	-0.25	-49.35
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077693	0	31	-1.0	-49.30	273.27	-1.11	-50.41
CC1C(NC(=O)c2nsnc2[O-])CCN1C(=O)C1CC1	REAL250005077694	0	35	-1.0	-47.97	302.04	0.88	-47.09
CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077695	0	37	-1.0	-48.67	316.92	0.53	-48.14
CC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077696	0	37	-1.0	-48.65	310.48	0.12	-48.53
CC1C(NC(=O)c2nsnc2[O-])CCN1C(=O)C(N)=O	REAL250005077697	0	32	-1.0	-47.02	287.92	-4.91	-51.93
C=CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077698	0	35	-1.0	-49.00	308.21	0.29	-48.71
CC1C(NC(=O)c2nsnc2[O-])CCN1C(=O)CO	REAL250005077699	0	32	-1.0	-53.40	285.77	-3.16	-56.56
CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077700	0	37	-1.0	-49.84	309.77	1.15	-48.69
CC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077701	0	37	-1.0	-49.43	307.82	1.05	-48.38
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077702	0	34	-1.0	-50.05	288.27	0.38	-49.67
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077703	0	31	-1.0	-51.24	271.59	-0.82	-52.06
CC1C(NC(=O)C2CC2)CCN1C(=O)c1nsnc1[O-]	REAL250005077704	0	35	-1.0	-53.69	298.23	1.20	-52.49
CC1C(NC(=O)C(N)=O)CCN1C(=O)c1nsnc1[O-]	REAL250005077705	0	32	-1.0	-50.95	287.47	-4.70	-55.65
CC1C(NC(=O)CO)CCN1C(=O)c1nsnc1[O-]	REAL250005077706	0	32	-1.0	-53.97	278.74	-2.55	-56.52
CC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077707	0	33	-1.0	-49.84	294.84	-0.87	-50.71
CC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077708	0	35	-1.0	-50.74	305.70	0.59	-50.15
C=CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077709	0	35	-1.0	-50.11	301.26	0.92	-49.19
CC1C(NC(=O)CC#N)CCN1C(=O)c1nsnc1[O-]	REAL250005077710	0	32	-1.0	-57.79	287.73	0.05	-57.74
C=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1C	REAL250005077711	0	32	-1.0	-51.02	283.97	-0.30	-51.32
CC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077712	0	35	-1.0	-49.05	307.95	0.33	-48.72
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005077713	0	34	-1.0	-46.20	294.43	-0.24	-46.44
CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005077714	0	31	-1.0	-48.21	275.65	-1.03	-49.24
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)C1CC1	REAL250005077715	0	35	-1.0	-48.25	306.42	0.52	-47.73
CCCC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005077716	0	37	-1.0	-47.58	317.38	0.56	-47.02
CC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005077717	0	37	-1.0	-46.83	315.62	0.26	-46.57
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)C(N)=O	REAL250005077718	0	32	-1.0	-51.31	286.69	-4.98	-56.29
C=CCC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005077719	0	35	-1.0	-47.95	308.79	0.33	-47.62
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)CO	REAL250005077720	0	32	-1.0	-51.40	286.35	-3.12	-54.52
CCCC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077721	0	37	-1.0	-56.89	313.72	0.77	-56.12
CC(C)C(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077722	0	37	-1.0	-56.54	311.77	0.66	-55.88
CCC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077723	0	34	-1.0	-57.09	292.22	-0.00	-57.09
CC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077724	0	31	-1.0	-57.41	271.93	-0.81	-58.22
CC1CC(NC(=O)C2CC2)CN1C(=O)c1nsnc1[O-]	REAL250005077725	0	35	-1.0	-57.20	302.88	0.74	-56.46
CC1CC(NC(=O)C(N)=O)CN1C(=O)c1nsnc1[O-]	REAL250005077726	0	32	-1.0	-53.68	287.58	-4.67	-58.35
CC1CC(NC(=O)CO)CN1C(=O)c1nsnc1[O-]	REAL250005077727	0	32	-1.0	-62.04	282.70	-2.93	-64.97
CC(=O)C(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077728	0	33	-1.0	-53.01	294.49	-0.85	-53.86
CC=CC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077729	0	35	-1.0	-56.89	305.80	0.62	-56.27
C=CCC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077730	0	35	-1.0	-57.08	305.13	0.54	-56.54
CC1CC(NC(=O)CC#N)CN1C(=O)c1nsnc1[O-]	REAL250005077731	0	32	-1.0	-66.67	291.69	-0.33	-67.00
C=CC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077732	0	32	-1.0	-57.12	284.08	-0.27	-57.39
CC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005077733	0	35	-1.0	-48.64	308.57	0.36	-48.28
CC(=O)NC12CCCC1N(C(=O)c1nsnc1[O-])CC2	REAL250005077734	0	35	-1.0	-50.14	290.08	-0.02	-50.16
CC(=O)N1CCC2(NC(=O)c3nsnc3[O-])CCCC12	REAL250005077735	0	35	-1.0	-48.10	291.70	-0.36	-48.46
CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1C	REAL250005077736	0	37	-1.0	-53.50	302.26	0.64	-52.86
CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1C	REAL250005077737	0	34	-1.0	-53.73	281.66	-0.16	-53.89
CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077738	0	37	-1.0	-52.81	302.41	1.31	-51.50
CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077739	0	34	-1.0	-52.32	281.12	0.44	-51.88
C=CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1C	REAL250005077740	0	35	-1.0	-52.32	293.27	0.96	-51.36
CCC(=O)NC1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005077741	0	37	-1.0	-52.39	319.12	-0.52	-52.91
CC(=O)NC1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005077742	0	34	-1.0	-50.52	298.79	-1.32	-51.84
CCC(=O)NCC1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005077743	0	37	-1.0	-52.32	319.63	-0.57	-52.89
CC(=O)NCC1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005077744	0	34	-1.0	-52.61	299.34	-1.39	-54.00
C=CC(=O)NCC1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005077745	0	35	-1.0	-52.53	311.48	-0.86	-53.39
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C(C)(C)C1	REAL250005077746	0	37	-1.0	-46.63	315.30	0.48	-46.15
CC(=O)N1CC(NC(=O)c2nsnc2[O-])C(C)(C)C1	REAL250005077747	0	34	-1.0	-46.91	290.47	-0.32	-47.23
CCC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1(C)C	REAL250005077748	0	37	-1.0	-54.66	311.21	0.50	-54.16
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1(C)C	REAL250005077749	0	34	-1.0	-53.98	291.23	-0.18	-54.16
C=CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1(C)C	REAL250005077750	0	35	-1.0	-53.69	303.79	0.39	-53.30
CCC(=O)N(C)CC(O)CNC(=O)c1nsnc1[O-]	REAL250005077751	0	34	-1.0	-53.68	302.61	-3.58	-57.26
CC(=O)N(C)CC(O)CNC(=O)c1nsnc1[O-]	REAL250005077752	0	31	-1.0	-54.03	281.65	-4.41	-58.44
CN(CC(O)CNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005077753	0	32	-1.0	-58.58	293.08	-6.48	-65.06
CCC(=O)NCC(O)CN(C)C(=O)c1nsnc1[O-]	REAL250005077754	0	34	-1.0	-52.30	299.67	-2.71	-55.01
CC(=O)NCC(O)CN(C)C(=O)c1nsnc1[O-]	REAL250005077755	0	31	-1.0	-52.63	279.08	-3.53	-56.16
CN(CC(O)CNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005077756	0	32	-1.0	-56.52	290.14	-5.63	-62.15
CN(CC(O)CNC(=O)CC#N)C(=O)c1nsnc1[O-]	REAL250005077757	0	32	-1.0	-59.12	299.13	-3.04	-62.16
C=CC(=O)NCC(O)CN(C)C(=O)c1nsnc1[O-]	REAL250005077758	0	32	-1.0	-52.74	291.52	-3.00	-55.74
CC(=O)N(C)CC(O)CN(C)C(=O)c1nsnc1[O-]	REAL250005077759	0	34	-1.0	-52.83	294.93	-1.82	-54.65
CC(=O)N(C)CC(O)CN(C)C(=O)c1nsnc1[O-]	REAL250005077760	0	34	-1.0	-52.83	294.93	-1.82	-54.65
CC(=O)N(CCN(C)C(=O)c1nsnc1[O-])C(C)C	REAL250005077761	0	36	-1.0	-50.34	301.84	1.88	-48.46
CC(=O)N(C)CCN(C(=O)c1nsnc1[O-])C(C)C	REAL250005077762	0	36	-1.0	-51.17	295.20	1.94	-49.23
C=CC(=O)N(C)CCN(C(=O)c1nsnc1[O-])C(C)C	REAL250005077763	0	37	-1.0	-51.45	307.58	2.49	-48.96
CC(=O)NC(CNC(=O)c1nsnc1[O-])C(C)(C)C	REAL250005077764	0	36	-1.0	-47.33	300.47	-1.29	-48.62
CC(=O)NCC(NC(=O)c1nsnc1[O-])C(C)(C)C	REAL250005077765	0	36	-1.0	-47.10	300.43	-1.38	-48.48
C=CC(=O)NCC(NC(=O)c1nsnc1[O-])C(C)(C)C	REAL250005077766	0	37	-1.0	-47.36	312.59	-0.85	-48.21
COCCN(CCNC(C)=O)C(=O)c1nsnc1[O-]	REAL250005077767	0	34	-1.0	-61.37	300.31	-1.38	-62.75
COCCN(CCNC(=O)c1nsnc1[O-])C(C)=O	REAL250005077768	0	34	-1.0	-53.43	299.31	-1.65	-55.08
CC(=O)N[C@H](C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005077769	0	37	-1.0	-56.50	305.47	0.74	-55.76
CC(=O)N1CCC([C@@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005077770	0	37	-1.0	-52.58	303.95	0.23	-52.35
CC(=O)N[C@@H](C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005077771	0	37	-1.0	-53.53	300.24	0.41	-53.12
CC(=O)N1CCC([C@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005077772	0	37	-1.0	-52.78	302.46	0.21	-52.57
CCC(=O)N(C)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077773	0	34	-1.0	-48.67	287.00	1.05	-47.62
CC(=O)N(C)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077774	0	31	-1.0	-52.66	272.92	-1.08	-53.74
CN(C(=O)C1CC1)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077775	0	35	-1.0	-48.76	301.67	0.32	-48.44
CCCC(=O)N(C)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077776	0	37	-1.0	-48.45	308.47	1.80	-46.65
CC(C)C(=O)N(C)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077777	0	37	-1.0	-49.55	311.23	0.15	-49.40
CN(C(=O)C(N)=O)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077778	0	32	-1.0	-50.68	284.80	-4.78	-55.46
C=CCC(=O)N(C)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077779	0	35	-1.0	-48.54	299.88	1.58	-46.96
CN(C(=O)CO)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077780	0	32	-1.0	-52.57	277.44	-1.87	-54.44
CCCC(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077781	0	37	-1.0	-50.81	312.49	0.88	-49.93
CC(C)C(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077782	0	37	-1.0	-50.61	310.54	0.77	-49.84
CCC(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077783	0	34	-1.0	-51.03	290.99	0.11	-50.92
CC(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077784	0	31	-1.0	-55.03	270.54	-0.75	-55.78
CN(C(=O)c1nsnc1[O-])C1CC(NC(=O)C2CC2)C1	REAL250005077785	0	35	-1.0	-54.41	301.66	0.83	-53.58
CN(C(=O)c1nsnc1[O-])C1CC(NC(=O)C(N)=O)C1	REAL250005077786	0	32	-1.0	-52.01	286.48	-4.61	-56.62
CN(C(=O)c1nsnc1[O-])C1CC(NC(=O)CO)C1	REAL250005077787	0	32	-1.0	-55.04	281.46	-2.82	-57.86
CC(=O)C(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077788	0	33	-1.0	-51.25	293.87	-0.79	-52.04
CC=CC(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077789	0	35	-1.0	-54.67	304.71	0.66	-54.01
C=CCC(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077790	0	35	-1.0	-51.03	303.90	0.65	-50.38
CN(C(=O)c1nsnc1[O-])C1CC(NC(=O)CC#N)C1	REAL250005077791	0	32	-1.0	-57.66	290.45	-0.22	-57.88
C=CC(=O)NC1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005077792	0	32	-1.0	-54.79	282.98	-0.22	-55.01
CC=CC(=O)N(C)C1CC(NC(=O)c2nsnc2[O-])C1	REAL250005077793	0	35	-1.0	-52.61	306.95	0.32	-52.29
CC(=O)N(C)CCOCCNC(=O)c1nsnc1[O-]	REAL250005077794	0	34	-1.0	-50.49	305.82	-1.91	-52.40
CC(=O)NCCOCCN(C)C(=O)c1nsnc1[O-]	REAL250005077795	0	34	-1.0	-60.83	302.93	-1.02	-61.85
CCC(=O)NCC1=CCN(C(=O)c2nsnc2[O-])CC1	REAL250005077796	0	35	-1.0	-53.30	302.98	0.64	-52.66
CC(=O)NCC1=CCN(C(=O)c2nsnc2[O-])CC1	REAL250005077797	0	32	-1.0	-53.56	282.38	-0.17	-53.73
O=C(CO)NCC1=CCN(C(=O)c2nsnc2[O-])CC1	REAL250005077798	0	33	-1.0	-57.83	293.45	-2.28	-60.11
CCC(=O)N1CC=C(CNC(=O)c2nsnc2[O-])CC1	REAL250005077799	0	35	-1.0	-51.97	305.85	0.37	-51.60
CC(=O)N1CC=C(CNC(=O)c2nsnc2[O-])CC1	REAL250005077800	0	32	-1.0	-52.35	285.51	-0.41	-52.76
O=C(CO)N1CC=C(CNC(=O)c2nsnc2[O-])CC1	REAL250005077801	0	33	-1.0	-56.69	296.29	-2.53	-59.22
C=CC(=O)N1CC=C(CNC(=O)c2nsnc2[O-])CC1	REAL250005077802	0	33	-1.0	-52.19	296.59	0.07	-52.12
CCC(=O)NC1CCC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077803	0	37	-1.0	-51.96	299.87	0.71	-51.25
CC(=O)NC1CCC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005077804	0	34	-1.0	-52.01	279.58	-0.11	-52.12
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])CCC1C	REAL250005077805	0	37	-1.0	-46.95	306.39	0.41	-46.54
CC(=O)N1CC(NC(=O)c2nsnc2[O-])CCC1C	REAL250005077806	0	34	-1.0	-48.55	282.44	-0.15	-48.70
C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])CCC1C	REAL250005077807	0	35	-1.0	-47.98	297.03	0.09	-47.89
CC(=O)N1CCC(C)C(CNC(=O)c2nsnc2[O-])C1	REAL250005077808	0	37	-1.0	-54.49	302.23	-0.07	-54.56
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CCC1C	REAL250005077809	0	37	-1.0	-49.74	298.88	0.05	-49.69
CCC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077810	0	36	-1.0	-55.48	311.11	0.35	-55.13
CC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077811	0	33	-1.0	-55.66	291.21	-0.48	-56.14
CC(CC(C)NC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005077812	0	37	-1.0	-57.88	326.22	0.22	-57.66
C=CCC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077813	0	37	-1.0	-56.51	328.61	0.00	-56.51
CC(CC(C)NC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005077814	0	34	-1.0	-59.79	301.58	-2.56	-62.35
CCC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077815	0	36	-1.0	-55.48	311.11	0.35	-55.13
CC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077816	0	33	-1.0	-55.66	291.21	-0.48	-56.14
CC(CC(C)NC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005077817	0	37	-1.0	-57.88	326.22	0.22	-57.66
CC(CC(C)NC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005077818	0	34	-1.0	-59.79	301.58	-2.56	-62.35
CC=CC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077819	0	37	-1.0	-57.58	329.27	0.08	-57.50
C=CCC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077820	0	37	-1.0	-56.51	328.61	0.00	-56.51
CC(CC(C)NC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005077821	0	34	-1.0	-60.55	310.58	0.03	-60.52
C=CC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077822	0	34	-1.0	-57.43	307.54	-0.80	-58.23
CC=CC(=O)NC(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005077823	0	37	-1.0	-57.58	329.27	0.08	-57.50
CCC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005077824	0	35	-1.0	-53.15	302.99	1.23	-51.92
CC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005077825	0	32	-1.0	-51.82	283.34	0.33	-51.49
O=C(CO)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005077826	0	33	-1.0	-55.65	294.43	-1.74	-57.39
CCC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005077827	0	35	-1.0	-62.39	304.83	1.08	-61.31
CC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005077828	0	32	-1.0	-61.57	283.20	0.23	-61.34
O=C(CO)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005077829	0	33	-1.0	-57.98	295.49	-1.87	-59.85
C=CC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005077830	0	33	-1.0	-53.82	294.70	0.73	-53.09
CCC(=O)NC[C@@H](C)N(CC)C(=O)c1nsnc1[O-]	REAL250005077831	0	36	-1.0	-46.99	297.02	1.49	-45.50
CCN(C(=O)c1nsnc1[O-])[C@H](C)CNC(C)=O	REAL250005077832	0	33	-1.0	-47.35	276.71	0.68	-46.67
CCN(C(=O)c1nsnc1[O-])[C@H](C)CNC(=O)C1CC1	REAL250005077833	0	37	-1.0	-47.26	308.77	2.22	-45.04
C=CCC(=O)NC[C@@H](C)N(CC)C(=O)c1nsnc1[O-]	REAL250005077834	0	37	-1.0	-47.01	309.93	2.02	-44.99
CCN(C(=O)c1nsnc1[O-])[C@H](C)CNC(=O)CO	REAL250005077835	0	34	-1.0	-49.94	287.49	-1.43	-51.37
CCC(=O)N(CC)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077836	0	36	-1.0	-50.89	300.66	0.89	-50.00
CCN(C(C)=O)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077837	0	33	-1.0	-50.65	279.87	0.08	-50.57
CCN(C(=O)C1CC1)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077838	0	37	-1.0	-50.78	311.41	1.63	-49.15
CCN(C(=O)CO)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077839	0	34	-1.0	-55.04	291.13	-2.03	-57.07
CC=CC(=O)N(CC)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077840	0	37	-1.0	-50.06	317.57	1.06	-49.00
C=CCC(=O)N(CC)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077841	0	37	-1.0	-51.10	313.57	1.43	-49.67
CCN(C(=O)CC#N)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077842	0	34	-1.0	-57.54	300.12	0.57	-56.97
C=CC(=O)N(CC)[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005077843	0	34	-1.0	-50.08	295.86	0.18	-49.90
CC=CC(=O)NC[C@@H](C)N(CC)C(=O)c1nsnc1[O-]	REAL250005077844	0	37	-1.0	-48.07	310.60	2.10	-45.97
CC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005077845	0	37	-1.0	-57.40	296.39	1.96	-55.44
CC(=O)N(C)C[C@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005077846	0	37	-1.0	-57.08	294.32	1.56	-55.52
CC(=O)NCCC1=CCN(C(=O)c2nsnc2[O-])CC1	REAL250005077847	0	35	-1.0	-54.83	304.06	0.62	-54.21
CC(=O)N1CC=C(CCNC(=O)c2nsnc2[O-])CC1	REAL250005077848	0	35	-1.0	-52.56	305.32	0.30	-52.26
CCC(=O)NCCC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005077849	0	37	-1.0	-54.13	325.78	-0.41	-54.54
CC(=O)NCCC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005077850	0	34	-1.0	-54.43	305.48	-1.22	-55.65
CCC(=O)NCC1(CCNC(=O)c2nsnc2[O-])CC1	REAL250005077851	0	37	-1.0	-54.14	325.78	-0.40	-54.54
CC(=O)NCC1(CCNC(=O)c2nsnc2[O-])CC1	REAL250005077852	0	34	-1.0	-54.33	305.49	-1.22	-55.55
C=CC(=O)NCC1(CCNC(=O)c2nsnc2[O-])CC1	REAL250005077853	0	35	-1.0	-54.29	317.64	-0.69	-54.98
CC(=O)NC(C)CCCCNC(=O)c1nsnc1[O-]	REAL250005077854	0	36	-1.0	-53.45	318.96	-0.82	-54.27
CC(=O)NCCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077855	0	36	-1.0	-56.93	318.66	-0.81	-57.74
C=CC(=O)NCCCCC(C)NC(=O)c1nsnc1[O-]	REAL250005077856	0	37	-1.0	-56.99	331.10	-0.29	-57.28
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C(C)C1	REAL250005077857	0	37	-1.0	-51.70	303.09	0.40	-51.30
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005077858	0	37	-1.0	-55.52	300.97	0.63	-54.89
CCC(=O)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005077859	0	35	-1.0	-58.17	292.81	1.36	-56.81
CC(=O)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005077860	0	32	-1.0	-57.04	274.30	0.54	-56.50
O=C(CO)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005077861	0	33	-1.0	-64.51	281.34	-1.74	-66.25
CCC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])[C@@H]2C1	REAL250005077862	0	35	-1.0	-50.50	294.81	1.34	-49.16
CC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])[C@@H]2C1	REAL250005077863	0	32	-1.0	-49.09	275.54	0.74	-48.35
O=C(CO)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])[C@@H]2C1	REAL250005077864	0	33	-1.0	-55.73	280.08	-1.67	-57.40
C=CC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])[C@@H]2C1	REAL250005077865	0	33	-1.0	-51.43	286.11	1.06	-50.37
CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O	REAL250005077866	0	32	-1.0	-55.38	285.43	-4.03	-59.41
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O	REAL250005077867	0	29	-1.0	-55.62	265.13	-4.84	-60.46
O=C(N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O)C1CC1	REAL250005077868	0	33	-1.0	-58.95	296.69	-3.36	-62.31
C=CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O	REAL250005077869	0	33	-1.0	-59.23	299.08	-3.59	-62.82
O=C(CO)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O	REAL250005077870	0	30	-1.0	-60.62	275.98	-6.98	-67.60
CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077871	0	32	-1.0	-58.65	288.67	-4.32	-62.97
CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077872	0	29	-1.0	-58.53	267.64	-5.15	-63.68
O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@H]1O)c1nsnc1[O-]	REAL250005077873	0	33	-1.0	-57.94	299.08	-3.56	-61.50
O=C(CO)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077874	0	30	-1.0	-63.63	279.15	-7.20	-70.83
CC=CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077875	0	33	-1.0	-58.16	301.24	-3.75	-61.91
C=CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077876	0	33	-1.0	-59.34	302.38	-3.76	-63.10
N#CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077877	0	30	-1.0	-67.28	288.14	-4.63	-71.91
C=CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077878	0	30	-1.0	-59.90	280.65	-4.64	-64.54
CC=CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O	REAL250005077879	0	33	-1.0	-58.85	299.61	-3.49	-62.34
CC(=O)NC1CC(NC(=O)c2nsnc2[O-])C12CCC2	REAL250005077880	0	35	-1.0	-50.48	305.02	-0.63	-51.11
CC(=O)NC1CC(NC(=O)c2nsnc2[O-])C12CCC2	REAL250005077881	0	35	-1.0	-50.48	305.02	-0.63	-51.11
CC(=O)N1CC2CCC1C(NC(=O)c1nsnc1[O-])C2	REAL250005077882	0	35	-1.0	-53.67	294.82	0.44	-53.23
CC(=O)NC1CC2CCC1N(C(=O)c1nsnc1[O-])C2	REAL250005077883	0	35	-1.0	-58.10	288.50	0.47	-57.63
CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077884	0	34	-1.0	-54.34	295.59	-0.13	-54.47
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077885	0	31	-1.0	-54.34	274.99	-0.94	-55.28
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)C1CC1	REAL250005077886	0	35	-1.0	-53.90	306.08	0.66	-53.24
CCCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077887	0	37	-1.0	-56.00	316.31	0.67	-55.33
CC(C)C(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077888	0	37	-1.0	-55.96	314.44	0.56	-55.40
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)C(N)=O	REAL250005077889	0	32	-1.0	-52.55	290.28	-4.77	-57.32
C=CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077890	0	35	-1.0	-54.36	308.52	0.41	-53.95
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)CO	REAL250005077891	0	32	-1.0	-61.05	285.37	-3.02	-64.07
CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077892	0	37	-1.0	-46.18	320.44	0.46	-45.72
CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077893	0	37	-1.0	-46.74	313.46	-0.02	-46.76
CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077894	0	34	-1.0	-47.20	298.09	-0.36	-47.56
CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077895	0	31	-1.0	-46.81	276.99	-1.19	-48.00
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077896	0	35	-1.0	-46.68	308.93	0.43	-46.25
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077897	0	32	-1.0	-50.72	291.24	-5.04	-55.76
C[C@@H]1CN(C(=O)CO)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077898	0	32	-1.0	-49.92	289.41	-3.20	-53.12
CC(=O)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077899	0	33	-1.0	-49.13	297.65	-1.24	-50.37
CC=CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077900	0	35	-1.0	-47.83	310.78	0.18	-47.65
C=CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077901	0	35	-1.0	-47.11	311.04	0.16	-46.95
C[C@@H]1CN(C(=O)CC#N)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077902	0	32	-1.0	-51.18	298.41	-0.63	-51.81
C=CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077903	0	32	-1.0	-47.24	290.05	-0.64	-47.88
CC=CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077904	0	35	-1.0	-54.26	309.18	0.47	-53.79
CO[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(C)=O	REAL250005077905	0	32	-1.0	-58.35	287.86	-2.58	-60.93
CO[C@@H]1CN(C(C)=O)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077906	0	32	-1.0	-55.96	288.56	-2.82	-58.78
C=CC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@H](OC)C1	REAL250005077907	0	33	-1.0	-57.26	302.48	-2.24	-59.50
CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077908	0	34	-1.0	-47.20	298.09	-0.36	-47.56
CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077909	0	31	-1.0	-46.81	276.99	-1.19	-48.00
C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077910	0	35	-1.0	-46.68	308.93	0.43	-46.25
CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077911	0	37	-1.0	-46.18	320.44	0.46	-45.72
CC(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077912	0	37	-1.0	-46.74	313.46	-0.02	-46.76
C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077913	0	32	-1.0	-50.72	291.24	-5.04	-55.76
C=CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077914	0	35	-1.0	-47.11	311.04	0.16	-46.95
C[C@@H]1CN(C(=O)CO)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077915	0	32	-1.0	-49.92	289.41	-3.20	-53.12
CCCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077916	0	37	-1.0	-56.00	316.31	0.67	-55.33
CC(C)C(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077917	0	37	-1.0	-55.96	314.44	0.56	-55.40
CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077918	0	34	-1.0	-54.34	295.59	-0.13	-54.47
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077919	0	31	-1.0	-54.34	274.99	-0.94	-55.28
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)C1CC1	REAL250005077920	0	35	-1.0	-53.90	306.08	0.66	-53.24
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)C(N)=O	REAL250005077921	0	32	-1.0	-52.55	290.28	-4.77	-57.32
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)CO	REAL250005077922	0	32	-1.0	-61.05	285.37	-3.02	-64.07
CC(=O)C(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077923	0	33	-1.0	-52.22	296.74	-0.99	-53.21
CC=CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077924	0	35	-1.0	-54.26	309.18	0.47	-53.79
C=CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077925	0	35	-1.0	-54.36	308.52	0.41	-53.95
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)CC#N	REAL250005077926	0	32	-1.0	-65.65	294.37	-0.42	-66.07
C=CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005077927	0	32	-1.0	-56.13	286.78	-0.36	-56.49
CC=CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077928	0	35	-1.0	-47.83	310.78	0.18	-47.65
CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1O	REAL250005077929	0	32	-1.0	-53.76	285.21	-3.82	-57.58
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1O	REAL250005077930	0	29	-1.0	-58.39	264.21	-4.68	-63.07
O=C(N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1O)C1CC1	REAL250005077931	0	33	-1.0	-57.05	294.31	-3.00	-60.05
C=CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1O	REAL250005077932	0	33	-1.0	-53.66	298.10	-3.28	-56.94
O=C(CO)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1O	REAL250005077933	0	30	-1.0	-57.93	275.66	-6.75	-64.68
CCC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077934	0	32	-1.0	-58.39	287.68	-4.02	-62.41
CC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077935	0	29	-1.0	-59.86	265.92	-4.93	-64.79
O=C(N[C@@H]1CN(C(=O)C2CC2)C[C@@H]1O)c1nsnc1[O-]	REAL250005077936	0	33	-1.0	-58.75	297.66	-3.32	-62.07
O=C(CO)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077937	0	30	-1.0	-63.36	278.17	-6.90	-70.26
CC=CC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077938	0	33	-1.0	-59.34	300.58	-3.48	-62.82
C=CCC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077939	0	33	-1.0	-59.08	299.85	-3.51	-62.59
N#CCC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077940	0	30	-1.0	-66.96	287.16	-4.34	-71.30
C=CC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](O)C1	REAL250005077941	0	30	-1.0	-59.42	277.85	-4.35	-63.77
CC=CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1O	REAL250005077942	0	33	-1.0	-57.16	297.35	-3.16	-60.32
CC(=O)N1CC[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]2C1	REAL250005077943	0	35	-1.0	-49.49	285.66	1.30	-48.19
CC(=O)N1CC[C@@H]2CCN(C(=O)c3nsnc3[O-])C[C@@H]21	REAL250005077944	0	35	-1.0	-62.37	281.45	1.48	-60.89
CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077945	0	37	-1.0	-47.05	316.15	-0.56	-47.61
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077946	0	34	-1.0	-47.41	295.84	-1.37	-48.78
CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077947	0	37	-1.0	-47.05	316.15	-0.56	-47.61
CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077948	0	34	-1.0	-47.41	295.84	-1.37	-48.78
C=CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005077949	0	35	-1.0	-47.56	308.00	-0.83	-48.39
CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077950	0	34	-1.0	-51.94	302.72	-1.29	-53.23
CC(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077951	0	31	-1.0	-52.24	282.42	-2.09	-54.33
O=C(NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1CC1	REAL250005077952	0	35	-1.0	-51.82	313.19	-0.51	-52.33
CCCC(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077953	0	37	-1.0	-51.68	324.18	-0.52	-52.20
CC(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077954	0	37	-1.0	-51.49	322.22	-0.61	-52.10
NC(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077955	0	32	-1.0	-51.69	298.03	-5.96	-57.65
C=CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077956	0	35	-1.0	-52.02	315.65	-0.75	-52.77
O=C(CO)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077957	0	32	-1.0	-56.40	293.15	-4.20	-60.60
CCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077958	0	37	-1.0	-51.22	324.20	-0.52	-51.74
CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077959	0	37	-1.0	-50.99	322.29	-0.63	-51.62
CCC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077960	0	34	-1.0	-51.44	302.68	-1.28	-52.72
CC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077961	0	31	-1.0	-51.72	282.09	-2.09	-53.81
O=C(NC[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005077962	0	35	-1.0	-51.33	313.22	-0.52	-51.85
NC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077963	0	32	-1.0	-51.05	298.03	-5.95	-57.00
O=C(CO)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077964	0	32	-1.0	-55.96	293.17	-4.21	-60.17
CC(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077965	0	33	-1.0	-49.91	305.44	-2.13	-52.04
CC=CC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077966	0	35	-1.0	-51.59	316.25	-0.67	-52.26
C=CCC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077967	0	35	-1.0	-51.60	315.59	-0.74	-52.34
N#CCC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077968	0	32	-1.0	-59.53	302.19	-1.62	-61.15
C=CC(=O)N[C@H]1C[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077969	0	32	-1.0	-51.75	294.57	-1.56	-53.31
CC=CC(=O)NC[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077970	0	35	-1.0	-52.03	316.26	-0.67	-52.70
CCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077971	0	34	-1.0	-51.43	302.59	-1.25	-52.68
CC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077972	0	31	-1.0	-51.76	282.23	-2.05	-53.81
O=C(NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1CC1	REAL250005077973	0	35	-1.0	-51.27	313.06	-0.47	-51.74
CCCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077974	0	37	-1.0	-51.24	324.04	-0.48	-51.72
CC(C)C(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077975	0	37	-1.0	-50.95	322.10	-0.57	-51.52
NC(=O)C(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077976	0	32	-1.0	-51.68	297.90	-5.91	-57.59
C=CCC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077977	0	35	-1.0	-51.58	315.47	-0.70	-52.28
O=C(CO)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077978	0	32	-1.0	-55.83	293.01	-4.16	-59.99
CCCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077979	0	37	-1.0	-52.09	324.06	-0.48	-52.57
CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077980	0	37	-1.0	-51.91	322.16	-0.57	-52.48
CCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077981	0	34	-1.0	-52.29	302.58	-1.24	-53.53
CC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077982	0	31	-1.0	-52.53	282.01	-2.05	-54.58
O=C(NC[C@H]1C[C@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005077983	0	35	-1.0	-52.07	313.06	-0.47	-52.54
NC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077984	0	32	-1.0	-50.82	297.95	-5.91	-56.73
O=C(CO)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077985	0	32	-1.0	-57.00	293.07	-4.18	-61.18
CC(=O)C(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077986	0	33	-1.0	-49.88	305.28	-2.09	-51.97
CC=CC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077987	0	35	-1.0	-52.30	316.12	-0.62	-52.92
C=CCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077988	0	35	-1.0	-52.41	315.50	-0.70	-53.11
N#CCC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077989	0	32	-1.0	-61.07	302.02	-1.57	-62.64
C=CC(=O)N[C@H]1C[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077990	0	32	-1.0	-52.45	294.39	-1.51	-53.96
CC=CC(=O)NC[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005077991	0	35	-1.0	-51.58	316.12	-0.63	-52.21
CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077992	0	37	-1.0	-53.37	319.26	-0.55	-53.92
CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005077993	0	34	-1.0	-53.55	298.66	-1.36	-54.91
CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077994	0	37	-1.0	-51.10	319.43	-0.60	-51.70
CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077995	0	34	-1.0	-50.60	298.95	-1.37	-51.97
C=CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005077996	0	35	-1.0	-51.06	311.18	-0.77	-51.83
CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005077997	0	37	-1.0	-58.74	302.57	1.13	-57.61
CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1nsnc1[O-]	REAL250005077998	0	37	-1.0	-51.65	301.24	1.19	-50.46
CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1CC	REAL250005077999	0	37	-1.0	-49.89	310.68	0.65	-49.24
CC[C@@H]1[C@@H](NC(C)=O)CCN1C(=O)c1nsnc1[O-]	REAL250005078000	0	34	-1.0	-50.28	290.41	-0.19	-50.47
CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1CC	REAL250005078001	0	37	-1.0	-48.71	315.36	0.46	-48.25
CC[C@@H]1[C@@H](NC(=O)c2nsnc2[O-])CCN1C(C)=O	REAL250005078002	0	34	-1.0	-49.05	293.27	-0.37	-49.42
C=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1CC	REAL250005078003	0	35	-1.0	-48.82	304.79	0.10	-48.72
CC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])CC[C@@H]2C1	REAL250005078004	0	35	-1.0	-52.26	287.11	1.25	-51.01
CC(=O)N1CC[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005078005	0	35	-1.0	-55.63	286.71	0.91	-54.72
CC(=O)N1CCCCCC(NC(=O)c2nsnc2[O-])C1	REAL250005078006	0	37	-1.0	-63.07	291.24	1.12	-61.95
CC(=O)NC1CCCCCN(C(=O)c2nsnc2[O-])C1	REAL250005078007	0	37	-1.0	-53.69	288.59	1.09	-52.60
CC(=O)N1CCCC[C@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005078008	0	37	-1.0	-57.13	293.62	1.77	-55.36
CC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005078009	0	37	-1.0	-57.15	296.52	1.74	-55.41
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1O	REAL250005078010	0	32	-1.0	-51.19	279.54	-4.08	-55.27
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C(O)C1	REAL250005078011	0	32	-1.0	-51.53	277.14	-3.95	-55.48
C=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C(O)C1	REAL250005078012	0	33	-1.0	-51.89	293.38	-3.77	-55.66
CCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078013	0	34	-1.0	-51.99	302.72	-1.28	-53.27
CC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078014	0	31	-1.0	-51.78	282.30	-2.05	-53.83
O=C(NC1CC(CNC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005078015	0	35	-1.0	-51.29	313.12	-0.47	-51.76
CCCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078016	0	37	-1.0	-51.78	324.22	-0.52	-52.30
CC(C)C(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078017	0	37	-1.0	-51.54	322.27	-0.61	-52.15
NC(=O)C(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078018	0	32	-1.0	-51.79	298.07	-5.96	-57.75
C=CCC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078019	0	35	-1.0	-51.99	315.64	-0.74	-52.73
O=C(CO)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078020	0	32	-1.0	-56.41	293.19	-4.20	-60.61
CCCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078021	0	37	-1.0	-52.14	324.09	-0.48	-52.62
CC(C)C(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078022	0	37	-1.0	-51.86	322.14	-0.58	-52.44
CCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078023	0	34	-1.0	-52.32	302.59	-1.24	-53.56
CC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078024	0	31	-1.0	-52.63	282.33	-2.06	-54.69
O=C(NCC1CC(NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005078025	0	35	-1.0	-52.07	313.06	-0.47	-52.54
NC(=O)C(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078026	0	32	-1.0	-50.83	297.94	-5.92	-56.75
O=C(CO)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078027	0	32	-1.0	-57.04	293.06	-4.17	-61.21
CC(=O)C(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078028	0	33	-1.0	-49.91	304.85	-2.11	-52.02
CC=CC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078029	0	35	-1.0	-52.31	316.16	-0.63	-52.94
C=CCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078030	0	35	-1.0	-52.35	315.50	-0.70	-53.05
N#CCC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078031	0	32	-1.0	-61.09	302.05	-1.57	-62.66
C=CC(=O)NC1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005078032	0	32	-1.0	-52.47	294.44	-1.52	-53.99
CC=CC(=O)NCC1CC(NC(=O)c2nsnc2[O-])C1	REAL250005078033	0	35	-1.0	-52.07	316.30	-0.67	-52.74
CC(=O)N1C[C@H]2CN(C(=O)c3nsnc3[O-])C[C@@]2(C)C1	REAL250005078034	0	35	-1.0	-53.98	291.75	0.86	-53.12
CC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@]2(C)C1	REAL250005078035	0	35	-1.0	-53.75	292.05	0.90	-52.85
CCC(=O)NC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078036	0	37	-1.0	-52.46	315.06	0.52	-51.94
CC(=O)NC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078037	0	34	-1.0	-52.93	296.62	-0.38	-53.31
CCC(=O)N1C[C@@H](CNC(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005078038	0	37	-1.0	-56.19	318.46	0.33	-55.86
CC(=O)N1C[C@@H](CNC(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005078039	0	34	-1.0	-52.95	298.17	-0.55	-53.50
C=CC(=O)N1C[C@@H](CNC(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005078040	0	35	-1.0	-57.80	308.83	0.05	-57.75
CC(=O)NCC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078041	0	37	-1.0	-60.29	316.08	0.37	-59.92
CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2nsnc2[O-])C1	REAL250005078042	0	37	-1.0	-56.67	316.01	0.03	-56.64
CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2nsnc2[O-])C1	REAL250005078043	0	37	-1.0	-56.67	316.01	0.03	-56.64
CC(=O)NCC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078044	0	37	-1.0	-60.29	316.08	0.37	-59.92
CCC(=O)N1C[C@@H](CNC(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005078045	0	37	-1.0	-56.19	318.46	0.33	-55.86
CC(=O)N1C[C@@H](CNC(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005078046	0	34	-1.0	-52.95	298.17	-0.55	-53.50
CCC(=O)NC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078047	0	37	-1.0	-52.46	315.06	0.52	-51.94
CC(=O)NC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078048	0	34	-1.0	-52.93	296.62	-0.38	-53.31
C=CC(=O)NC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005078049	0	35	-1.0	-52.40	307.64	0.22	-52.18
CC(=O)N1CC2CC1CC(NC(=O)c1nsnc1[O-])C2	REAL250005078050	0	35	-1.0	-61.78	293.27	0.25	-61.53
CC(=O)NC1CC2CC(C1)N(C(=O)c1nsnc1[O-])C2	REAL250005078051	0	35	-1.0	-70.15	291.27	0.45	-69.70
CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1[O-]	REAL250005078052	0	35	-1.0	-63.35	295.35	1.32	-62.03
CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1[O-]	REAL250005078053	0	32	-1.0	-63.56	274.96	0.47	-63.09
O=C(CO)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1[O-]	REAL250005078054	0	33	-1.0	-68.71	285.81	-1.61	-70.32
CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsnc1[O-])C2	REAL250005078055	0	35	-1.0	-60.58	299.31	1.13	-59.45
CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsnc1[O-])C2	REAL250005078056	0	32	-1.0	-60.67	276.74	0.21	-60.46
O=C(CO)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsnc1[O-])C2	REAL250005078057	0	33	-1.0	-66.27	290.29	-1.76	-68.03
C=CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nsnc1[O-])C2	REAL250005078058	0	33	-1.0	-60.73	289.69	0.81	-59.92
CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1[O-]	REAL250005078059	0	35	-1.0	-49.66	298.49	0.72	-48.94
CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1[O-]	REAL250005078060	0	32	-1.0	-50.02	278.02	-0.10	-50.12
O=C(CO)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1[O-]	REAL250005078061	0	33	-1.0	-52.85	288.93	-2.23	-55.08
CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nsnc1[O-])C2	REAL250005078062	0	35	-1.0	-51.94	302.13	0.51	-51.43
CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nsnc1[O-])C2	REAL250005078063	0	32	-1.0	-52.10	280.55	-0.38	-52.48
O=C(CO)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nsnc1[O-])C2	REAL250005078064	0	33	-1.0	-56.41	292.62	-2.37	-58.78
C=CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nsnc1[O-])C2	REAL250005078065	0	33	-1.0	-52.45	292.48	0.19	-52.26
CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005078066	0	35	-1.0	-60.41	291.46	-0.05	-60.46
CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005078067	0	35	-1.0	-62.16	290.50	-0.50	-62.66
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078068	0	31	-1.0	-50.14	264.38	0.55	-49.59
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078069	0	28	-1.0	-51.01	242.73	-0.28	-51.29
O=C(c1nsnc1[O-])N1CCN(C(=O)C2CC2)CC1	REAL250005078070	0	32	-1.0	-49.45	273.91	1.27	-48.18
O=C(c1nsnc1[O-])N1CCN(C(=O)C2CCC2)CC1	REAL250005078071	0	35	-1.0	-49.15	289.84	1.75	-47.40
O=C(CC1CC1)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078072	0	35	-1.0	-49.67	294.91	2.08	-47.59
COCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078073	0	32	-1.0	-52.11	276.69	-0.08	-52.19
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078074	0	34	-1.0	-49.50	285.47	1.30	-48.20
CC(C)CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078075	0	37	-1.0	-49.14	302.19	1.90	-47.24
CC1CC1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078076	0	35	-1.0	-49.90	290.05	1.97	-47.93
CC(C)=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078077	0	35	-1.0	-48.95	292.22	1.75	-47.20
CCCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078078	0	37	-1.0	-49.78	307.37	2.10	-47.68
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078079	0	34	-1.0	-49.12	283.58	1.07	-48.05
CCC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078080	0	37	-1.0	-48.85	298.67	1.57	-47.28
C=CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078081	0	35	-1.0	-49.62	298.69	1.87	-47.75
CC=C(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078082	0	35	-1.0	-50.26	293.14	1.53	-48.73
CC1(C(=O)N2CCN(C(=O)c3nsnc3[O-])CC2)CC1	REAL250005078083	0	35	-1.0	-49.07	293.76	1.62	-47.45
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078084	0	35	-1.0	-49.24	295.28	1.94	-47.30
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078085	0	35	-1.0	-49.53	295.55	1.95	-47.58
NC(=O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078086	0	29	-1.0	-48.48	256.38	-4.35	-52.83
CC(C)(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078087	0	37	-1.0	-48.81	293.85	1.19	-47.62
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078088	0	32	-1.0	-49.70	276.88	1.08	-48.62
CN(C)CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078089	0	36	-1.0	-49.76	297.47	-1.18	-50.94
C=CC(O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078090	0	33	-1.0	-49.07	281.18	-1.09	-50.16
O=C(c1nsnc1[O-])N1CCN(C(=O)C2COC2)CC1	REAL250005078091	0	33	-1.0	-49.47	280.74	-1.00	-50.47
CCC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078092	0	35	-1.0	-49.45	297.54	1.87	-47.58
[N-]=[N+]=NCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078093	0	30	-1.0	-51.25	273.08	-3.56	-54.81
O=C(CO)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078094	0	29	-1.0	-53.87	254.45	-2.36	-56.23
CC(O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078095	0	32	-1.0	-53.04	271.46	-1.84	-54.88
O=C(CCF)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078096	0	31	-1.0	-49.04	270.97	0.69	-48.35
C#CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078097	0	33	-1.0	-49.77	291.66	1.83	-47.94
O=C(c1nsnc1[O-])N1CCN(C(=O)C2CCO2)CC1	REAL250005078098	0	33	-1.0	-52.91	279.82	0.04	-52.87
CC1=CC1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078099	0	33	-1.0	-50.22	289.36	1.97	-48.25
C[C@@H](O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078100	0	32	-1.0	-53.27	271.04	-1.86	-55.13
O=C(C=CCO)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078101	0	33	-1.0	-52.50	287.55	-2.25	-54.75
O=C(C1=CCC1)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078102	0	33	-1.0	-50.48	279.76	1.61	-48.87
CON=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078103	0	32	-1.0	-51.05	285.32	-0.94	-51.99
O=C(CC1CC1)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078104	0	35	-1.0	-49.67	294.91	2.08	-47.59
COCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078105	0	32	-1.0	-52.11	276.69	-0.08	-52.19
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078106	0	34	-1.0	-49.50	285.47	1.30	-48.20
CC(C)CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078107	0	37	-1.0	-49.14	302.19	1.90	-47.24
CC1CC1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078108	0	35	-1.0	-49.90	290.05	1.97	-47.93
CC(C)=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078109	0	35	-1.0	-48.95	292.22	1.75	-47.20
CCCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078110	0	37	-1.0	-49.78	307.37	2.10	-47.68
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078111	0	34	-1.0	-49.12	283.58	1.07	-48.05
CCC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078112	0	37	-1.0	-48.85	298.67	1.57	-47.28
C=CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078113	0	35	-1.0	-49.62	298.69	1.87	-47.75
CC(C#N)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078114	0	32	-1.0	-54.51	282.33	0.65	-53.86
CC=C(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078115	0	35	-1.0	-50.26	293.14	1.53	-48.73
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078116	0	31	-1.0	-50.14	264.38	0.55	-49.59
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078117	0	28	-1.0	-51.01	242.73	-0.28	-51.29
O=C(c1nsnc1[O-])N1CCN(C(=O)C2CC2)CC1	REAL250005078118	0	32	-1.0	-49.45	273.91	1.27	-48.18
O=C(c1nsnc1[O-])N1CCN(C(=O)C2CCC2)CC1	REAL250005078119	0	35	-1.0	-49.15	289.84	1.75	-47.40
NC(=O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078120	0	29	-1.0	-48.48	256.38	-4.35	-52.83
CC(C)(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078121	0	37	-1.0	-48.81	293.85	1.19	-47.62
CC1(C(=O)N2CCN(C(=O)c3nsnc3[O-])CC2)CC1	REAL250005078122	0	35	-1.0	-49.07	293.76	1.62	-47.45
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078123	0	35	-1.0	-49.24	295.28	1.94	-47.30
C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078124	0	35	-1.0	-49.53	295.55	1.95	-47.58
O=C(CO)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078125	0	29	-1.0	-53.87	254.45	-2.36	-56.23
O=C(c1nsnc1[O-])N1CCN(C(=O)C2CCO2)CC1	REAL250005078126	0	33	-1.0	-52.91	279.82	0.04	-52.87
O=C(c1nsnc1[O-])N1CCN(C(=O)C2COC2)CC1	REAL250005078127	0	33	-1.0	-49.47	280.74	-1.00	-50.47
O=C(C=CCO)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078128	0	33	-1.0	-52.50	287.55	-2.25	-54.75
CCC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078129	0	35	-1.0	-49.45	297.54	1.87	-47.58
C#CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078130	0	33	-1.0	-49.77	291.66	1.83	-47.94
C=CC(O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078131	0	33	-1.0	-49.07	281.18	-1.09	-50.16
CC(O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078132	0	32	-1.0	-53.04	271.46	-1.84	-54.88
CC(=O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078133	0	30	-1.0	-47.86	264.25	-0.47	-48.33
O=C(c1nsnc1[O-])N1CCN(C(=O)C2(O)CC2)CC1	REAL250005078134	0	33	-1.0	-48.49	285.72	-2.44	-50.93
O=C(C1=CCC1)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078135	0	33	-1.0	-50.48	279.76	1.61	-48.87
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078136	0	32	-1.0	-49.72	276.46	1.11	-48.61
[N-]=[N+]=NCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078137	0	30	-1.0	-51.25	273.08	-3.56	-54.81
C[C@H](O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078138	0	32	-1.0	-50.36	270.73	-1.82	-52.18
CON=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078139	0	32	-1.0	-51.05	285.32	-0.94	-51.99
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078140	0	35	-1.0	-49.24	295.28	1.94	-47.30
C=C(C)CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078141	0	35	-1.0	-49.62	298.98	1.75	-47.87
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078142	0	32	-1.0	-49.70	276.88	1.08	-48.62
CN(C)CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078143	0	36	-1.0	-49.76	297.47	-1.18	-50.94
N#CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078144	0	29	-1.0	-57.40	263.43	0.22	-57.18
O=C(CCF)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078145	0	31	-1.0	-49.04	270.97	0.69	-48.35
C[C@@H](O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078146	0	32	-1.0	-53.27	271.04	-1.86	-55.13
C=C1CC1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078147	0	33	-1.0	-49.31	287.32	1.84	-47.47
CC1=CC1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078148	0	33	-1.0	-50.22	289.36	1.97	-48.25
C=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078149	0	29	-1.0	-50.85	254.71	0.24	-50.61
C[C@H](O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078150	0	32	-1.0	-50.36	270.73	-1.82	-52.18
C=C1CC1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078151	0	33	-1.0	-49.31	287.32	1.84	-47.47
C=C(C)CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078152	0	35	-1.0	-49.62	298.98	1.75	-47.87
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078153	0	32	-1.0	-49.72	276.46	1.11	-48.61
C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005078154	0	35	-1.0	-49.24	295.28	1.94	-47.30
O=C(c1nsnc1[O-])N1CCN(C(=O)C2(O)CC2)CC1	REAL250005078155	0	33	-1.0	-48.49	285.72	-2.44	-50.93
CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCCC1	REAL250005078156	0	37	-1.0	-54.92	303.38	-0.30	-55.22
CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCCC1	REAL250005078157	0	37	-1.0	-54.15	303.49	-0.21	-54.36
CC(=O)NC1CC2(C1)CC(NC(=O)c1nsnc1[O-])C2	REAL250005078158	0	35	-1.0	-50.48	307.60	-0.80	-51.28
CC(=O)NC1CC2(C1)CC(NC(=O)c1nsnc1[O-])C2	REAL250005078159	0	35	-1.0	-50.48	307.60	-0.80	-51.28
COCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078160	0	31	-1.0	-49.15	288.67	-4.26	-53.41
O=C(NCCNC(=O)C1CC1)c1nsnc1[O-]	REAL250005078161	0	28	-1.0	-49.32	265.51	-2.56	-51.88
O=C(NCCNC(=O)C1CCC1)c1nsnc1[O-]	REAL250005078162	0	31	-1.0	-49.08	281.71	-2.06	-51.14
O=C(NCCNC(=O)C1CCCC1)c1nsnc1[O-]	REAL250005078163	0	34	-1.0	-48.90	298.05	-1.45	-50.35
O=C(CC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078164	0	31	-1.0	-49.57	285.93	-1.79	-51.36
CC(C)(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078165	0	30	-1.0	-48.20	280.67	-2.62	-50.82
CC(F)(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078166	0	27	-1.0	-46.97	266.85	-3.14	-50.11
COCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078167	0	28	-1.0	-52.23	267.72	-3.97	-56.20
O=C(NCCNC(=O)c1ccccn1)c1nsnc1[O-]	REAL250005078168	0	30	-1.0	-51.12	287.60	-2.73	-53.85
O=C(NCCNC(=O)c1ccncc1)c1nsnc1[O-]	REAL250005078169	0	30	-1.0	-50.04	285.57	-2.79	-52.83
CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078170	0	30	-1.0	-49.29	276.50	-2.57	-51.86
O=C(NCCNC(=O)c1cccnc1)c1nsnc1[O-]	REAL250005078171	0	30	-1.0	-50.57	285.37	-2.80	-53.37
O=C(NCCNC(=O)c1nsnc1[O-])c1ccco1	REAL250005078172	0	28	-1.0	-50.19	274.62	-3.02	-53.21
CC(=O)NCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078173	0	31	-1.0	-51.62	293.66	-5.65	-57.27
O=C(NCCNC(=O)c1ccccc1)c1nsnc1[O-]	REAL250005078174	0	31	-1.0	-50.23	290.39	-1.03	-51.26
CC(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078175	0	33	-1.0	-48.94	293.22	-1.98	-50.92
O=C(NCCNC(=O)C1CCCCC1)c1nsnc1[O-]	REAL250005078176	0	37	-1.0	-48.66	316.17	-0.77	-49.43
O=C(NCCNC(=O)c1cnccn1)c1nsnc1[O-]	REAL250005078177	0	29	-1.0	-50.83	282.39	-4.61	-55.44
O=C(CC1CCCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078178	0	37	-1.0	-49.19	318.20	-0.72	-49.91
O=C(NCCNC(=O)c1nsnc1[O-])c1cccs1	REAL250005078179	0	28	-1.0	-49.27	282.53	-2.02	-51.29
CC1CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078180	0	31	-1.0	-49.18	286.89	-1.89	-51.07
CCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078181	0	31	-1.0	-52.25	289.57	-3.01	-55.26
CC(C)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078182	0	31	-1.0	-48.93	284.37	-2.03	-50.96
Cc1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])o1	REAL250005078183	0	31	-1.0	-49.85	296.53	-2.20	-52.05
O=C(NCCNC(=O)C1CCCO1)c1nsnc1[O-]	REAL250005078184	0	32	-1.0	-52.35	291.01	-2.76	-55.11
CSCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078185	0	28	-1.0	-51.39	278.06	-2.91	-54.30
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])no1	REAL250005078186	0	30	-1.0	-50.54	291.03	-2.95	-53.49
CSCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078187	0	31	-1.0	-48.82	299.73	-2.10	-50.92
CC(C)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078188	0	36	-1.0	-49.19	315.56	-1.28	-50.47
O=C(NCCNC(=O)c1nsnc1[O-])c1ccsc1	REAL250005078189	0	28	-1.0	-50.04	281.73	-2.12	-52.16
Cc1occc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078190	0	31	-1.0	-49.94	292.06	-2.25	-52.19
O=C(CC1C=CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078191	0	35	-1.0	-49.65	310.36	-0.81	-50.46
O=C(Cn1cnnn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078192	0	29	-1.0	-63.08	283.80	-3.78	-66.86
Cn1cc(C(=O)NCCNC(=O)c2nsnc2[O-])cn1	REAL250005078193	0	31	-1.0	-52.31	295.43	-3.29	-55.60
O=C(NCCNC(=O)C1CC=CCC1)c1nsnc1[O-]	REAL250005078194	0	35	-1.0	-48.55	308.44	-0.88	-49.43
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])on1	REAL250005078195	0	30	-1.0	-49.03	291.06	-3.00	-52.03
O=C(NCCNC(=O)c1nsnc1[O-])c1ccc[nH]1	REAL250005078196	0	29	-1.0	-51.52	277.50	-3.23	-54.75
O=C(NCCNC(=O)c1nsnc1[O-])c1ccoc1	REAL250005078197	0	28	-1.0	-52.31	273.78	-3.06	-55.37
O=C(Cn1cccn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078198	0	31	-1.0	-56.81	295.22	-2.92	-59.73
Cc1ccoc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078199	0	31	-1.0	-50.14	292.50	-2.34	-52.48
CCCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078200	0	36	-1.0	-49.30	319.49	-1.01	-50.31
CC(C)(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078201	0	36	-1.0	-48.20	308.19	-1.46	-49.66
Cn1cccc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078202	0	32	-1.0	-50.25	295.35	-1.60	-51.85
CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078203	0	33	-1.0	-49.31	297.99	-1.79	-51.10
CC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078204	0	30	-1.0	-49.02	274.55	-2.66	-51.68
CCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078205	0	33	-1.0	-48.96	292.66	-2.01	-50.97
CCC(CC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078206	0	36	-1.0	-48.84	309.26	-1.58	-50.42
O=C(NCCNC(=O)c1nsnc1[O-])c1cc[nH]n1	REAL250005078207	0	28	-1.0	-52.77	273.20	-4.58	-57.35
CSC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078208	0	31	-1.0	-51.08	296.61	-2.34	-53.42
CCOC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078209	0	34	-1.0	-51.79	309.36	-2.31	-54.10
O=C(NCCNC(=O)c1nsnc1[O-])c1cn[nH]c1	REAL250005078210	0	28	-1.0	-51.54	272.49	-4.59	-56.13
COCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078211	0	34	-1.0	-51.74	310.17	-3.50	-55.24
O=C(NCCNC(=O)c1nsnc1[O-])c1ccon1	REAL250005078212	0	27	-1.0	-51.49	269.09	-3.78	-55.27
CC(=CC(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078213	0	35	-1.0	-48.50	312.58	-0.58	-49.08
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])[nH]n1	REAL250005078214	0	31	-1.0	-49.98	294.15	-3.98	-53.96
O=C(NCCNC(=O)c1nsnc1[O-])c1cncs1	REAL250005078215	0	27	-1.0	-50.07	277.55	-3.88	-53.95
CCC=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078216	0	34	-1.0	-49.31	303.70	-1.28	-50.59
Cc1ocnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078217	0	30	-1.0	-50.98	288.97	-5.58	-56.56
O=C(CC(F)(F)F)NCCNC(=O)c1nsnc1[O-]	REAL250005078218	0	27	-1.0	-52.00	272.41	-2.92	-54.92
COC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078219	0	31	-1.0	-51.79	287.50	-3.26	-55.05
CC(C)OCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078220	0	34	-1.0	-52.09	309.85	-2.28	-54.37
CCCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078221	0	34	-1.0	-52.02	311.07	-2.21	-54.23
O=C(NCCNC(=O)C1CCOC1)c1nsnc1[O-]	REAL250005078222	0	32	-1.0	-50.66	288.90	-3.97	-54.63
Cn1nccc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078223	0	31	-1.0	-49.87	290.85	-3.31	-53.18
CCC(OC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078224	0	34	-1.0	-50.49	308.71	-2.43	-52.92
COC(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078225	0	34	-1.0	-50.63	307.81	-2.74	-53.37
C=CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078226	0	31	-1.0	-49.15	289.31	-2.01	-51.16
O=C(NCCNC(=O)C1=COCCC1)c1nsnc1[O-]	REAL250005078227	0	33	-1.0	-49.67	296.59	-2.73	-52.40
CCOCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078228	0	34	-1.0	-49.14	310.52	-3.30	-52.44
O=C(NCCNC(=O)c1nsnc1[O-])c1cscn1	REAL250005078229	0	27	-1.0	-51.03	277.63	-4.03	-55.06
COCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078230	0	34	-1.0	-48.65	307.37	-3.55	-52.20
C=CCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078231	0	32	-1.0	-52.51	302.48	-2.44	-54.95
O=C(NCCNC(=O)c1nsnc1[O-])c1cocn1	REAL250005078232	0	27	-1.0	-51.47	269.40	-6.43	-57.90
O=C(NCCNC(=O)[C@H]1CCC(=O)N1)c1nsnc1[O-]	REAL250005078233	0	32	-1.0	-56.41	297.33	-5.45	-61.86
Cc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])c[nH]1	REAL250005078234	0	31	-1.0	-53.31	295.26	-3.65	-56.96
CN1CCCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078235	0	36	-1.0	-50.64	315.94	-3.79	-54.43
CC(C)(C)/C=C/C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078236	0	37	-1.0	-49.00	326.50	-0.93	-49.93
CCCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078237	0	36	-1.0	-48.98	314.16	-1.26	-50.24
O=C(CCC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078238	0	34	-1.0	-49.33	308.11	-1.00	-50.33
O=C(Cc1ccon1)NCCNC(=O)c1nsnc1[O-]	REAL250005078239	0	30	-1.0	-56.24	289.23	-2.99	-59.23
O=C(NCCNC(=O)C1CC=CC1)c1nsnc1[O-]	REAL250005078240	0	32	-1.0	-48.81	290.53	-1.57	-50.38
O=C(Cc1ccn[nH]1)NCCNC(=O)c1nsnc1[O-]	REAL250005078241	0	31	-1.0	-53.90	294.90	-4.02	-57.92
O=C(CC1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078242	0	34	-1.0	-49.44	302.91	-1.28	-50.72
Cc1ncoc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078243	0	30	-1.0	-50.49	287.37	-5.71	-56.20
CC(C(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078244	0	34	-1.0	-49.14	303.85	-1.22	-50.36
O=C(NCCNC(=O)C1C2CCCC21)c1nsnc1[O-]	REAL250005078245	0	35	-1.0	-48.97	303.51	-0.52	-49.49
O=C(CCC1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078246	0	37	-1.0	-49.19	324.73	-0.49	-49.68
CC=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078247	0	31	-1.0	-49.53	283.31	-2.05	-51.58
CC1CC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078248	0	34	-1.0	-49.27	302.15	-1.43	-50.70
O=C(C=C1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078249	0	32	-1.0	-49.74	294.16	-1.34	-51.08
CCC(=CC(=O)NCCNC(=O)c1nsnc1[O-])CC	REAL250005078250	0	37	-1.0	-48.26	324.75	-0.54	-48.80
CC(C)=C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078251	0	31	-1.0	-47.41	289.43	-1.95	-49.36
O=C(NCCNC(=O)c1nsnc1[O-])C1=CCCC1	REAL250005078252	0	32	-1.0	-49.27	291.58	-1.47	-50.74
Cn1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])c1	REAL250005078253	0	32	-1.0	-52.27	300.42	-1.43	-53.70
Cn1cnc(C(=O)NCCNC(=O)c2nsnc2[O-])c1	REAL250005078254	0	31	-1.0	-54.11	295.95	-1.81	-55.92
CC1(C)CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078255	0	34	-1.0	-48.66	302.12	-1.34	-50.00
CC1(C)C[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078256	0	34	-1.0	-48.66	302.12	-1.34	-50.00
O=C(NCCNC(=O)[C@@H]1CCCO1)c1nsnc1[O-]	REAL250005078257	0	32	-1.0	-52.40	291.22	-2.81	-55.21
C#CCCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078258	0	35	-1.0	-50.33	325.28	-0.49	-50.82
O=C(NCCNC(=O)c1cncnc1)c1nsnc1[O-]	REAL250005078259	0	29	-1.0	-49.80	280.32	-2.98	-52.78
O=C(NCCNC(=O)C1=CCOCC1)c1nsnc1[O-]	REAL250005078260	0	33	-1.0	-49.87	297.72	-3.21	-53.08
O=C(Cc1ccoc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078261	0	31	-1.0	-52.16	295.75	-2.39	-54.55
Cc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])co1	REAL250005078262	0	30	-1.0	-50.71	291.39	-5.69	-56.40
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])co1	REAL250005078263	0	31	-1.0	-52.10	295.68	-2.23	-54.33
CCC(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078264	0	36	-1.0	-48.88	311.45	-1.32	-50.20
C#CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078265	0	32	-1.0	-51.94	303.78	-1.27	-53.21
CC(C)(O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078266	0	34	-1.0	-51.96	301.98	-4.24	-56.20
Cn1nncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078267	0	30	-1.0	-50.58	285.60	-4.70	-55.28
CC1(C)CC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078268	0	37	-1.0	-48.84	322.02	-0.96	-49.80
CC(C)[C@@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078269	0	34	-1.0	-48.75	301.02	-3.59	-52.34
Cn1cc(C(=O)NCCNC(=O)c2nsnc2[O-])nn1	REAL250005078270	0	30	-1.0	-53.32	291.45	-4.72	-58.04
Cn1cnc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078271	0	30	-1.0	-56.65	290.89	-2.62	-59.27
O=C(NCCNC(=O)C1CC1(F)F)c1nsnc1[O-]	REAL250005078272	0	28	-1.0	-50.50	278.51	-2.40	-52.90
CCC(C)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078273	0	34	-1.0	-48.53	306.15	-1.27	-49.80
CC(C)C#CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078274	0	32	-1.0	-49.81	304.39	-1.31	-51.12
Cc1c[nH]nc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078275	0	31	-1.0	-52.51	291.65	-3.89	-56.40
CC(C(=O)NCCNC(=O)c1nsnc1[O-])=C1CCC1	REAL250005078276	0	35	-1.0	-49.66	311.87	-0.58	-50.24
O=C(C#CC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078277	0	30	-1.0	-50.10	294.06	-1.14	-51.24
CC(C)(C)C#CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078278	0	35	-1.0	-49.68	324.53	-0.77	-50.45
CC1CCC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078279	0	37	-1.0	-48.89	318.66	-0.84	-49.73
C#CCOCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078280	0	33	-1.0	-50.59	316.31	-2.75	-53.34
C#CCOC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078281	0	33	-1.0	-54.28	315.15	-1.77	-56.05
C=CCC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078282	0	37	-1.0	-48.67	322.59	-1.01	-49.68
O=C(NCCNC(=O)C1CC12CCC2)c1nsnc1[O-]	REAL250005078283	0	35	-1.0	-49.11	312.83	-0.63	-49.74
Cn1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078284	0	31	-1.0	-53.45	296.01	-3.24	-56.69
O=C(Cn1ncnn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078285	0	29	-1.0	-56.53	285.32	-4.18	-60.71
C=CC(C)(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078286	0	37	-1.0	-47.89	316.85	-1.06	-48.95
O=C(Cn1nccn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078287	0	30	-1.0	-55.94	290.61	-4.56	-60.50
O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CC1)c1nsnc1[O-]	REAL250005078288	0	35	-1.0	-49.19	319.08	-0.32	-49.51
C=C(C)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078289	0	34	-1.0	-48.93	310.92	-1.34	-50.27
O=C(NCCNC(=O)c1nsnc1[O-])c1ccns1	REAL250005078290	0	27	-1.0	-49.01	277.61	-3.39	-52.40
O=C(NCCNC(=O)[C@]12C[C@H]1COC2)c1nsnc1[O-]	REAL250005078291	0	33	-1.0	-50.68	301.42	-3.34	-54.02
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078292	0	31	-1.0	-49.01	283.27	-1.96	-50.97
O=C(NCCNC(=O)[C@H]1CCCO1)c1nsnc1[O-]	REAL250005078293	0	32	-1.0	-52.41	291.24	-2.82	-55.23
CC(CC(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078294	0	37	-1.0	-48.65	322.89	-0.52	-49.17
O=C(NCCNC(=O)C1(C2CC2)CC1)c1nsnc1[O-]	REAL250005078295	0	35	-1.0	-48.87	307.19	-0.37	-49.24
O=C(NCCNC(=O)c1nsnc1[O-])c1ccsn1	REAL250005078296	0	27	-1.0	-50.19	276.87	-3.56	-53.75
CC(C(=O)NCCNC(=O)c1nsnc1[O-])C1CCC1	REAL250005078297	0	37	-1.0	-48.76	320.85	-0.67	-49.43
Cn1cncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078298	0	31	-1.0	-51.76	290.56	-1.91	-53.67
O=C(NCCNC(=O)c1nsnc1[O-])c1c[nH]nn1	REAL250005078299	0	27	-1.0	-52.31	268.45	-6.03	-58.34
Cc1[nH]cnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078300	0	31	-1.0	-53.55	291.24	-2.92	-56.47
Cn1ncc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078301	0	30	-1.0	-50.47	290.96	-4.89	-55.36
O=C(CCC(F)F)NCCNC(=O)c1nsnc1[O-]	REAL250005078302	0	30	-1.0	-51.44	289.16	-2.30	-53.74
CC1(CC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078303	0	34	-1.0	-49.10	305.93	-1.31	-50.41
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCCC1	REAL250005078304	0	37	-1.0	-48.86	316.33	-0.92	-49.78
O=C(NCCNC(=O)c1nsnc1[O-])c1cnco1	REAL250005078305	0	27	-1.0	-50.66	269.40	-6.33	-56.99
O=C(NCCNC(=O)[C@@H]1CCC(=O)N1)c1nsnc1[O-]	REAL250005078306	0	32	-1.0	-55.90	297.30	-5.44	-61.34
Cc1[nH]ncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078307	0	31	-1.0	-50.86	290.51	-4.01	-54.87
Cc1n[nH]nc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078308	0	30	-1.0	-48.89	286.50	-5.41	-54.30
C=C(C)C(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078309	0	37	-1.0	-48.75	318.94	-1.19	-49.94
O=C(NCCNC(=O)C1CCNC1=O)c1nsnc1[O-]	REAL250005078310	0	32	-1.0	-54.08	294.18	-5.60	-59.68
C=CC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078311	0	34	-1.0	-48.97	302.19	-1.70	-50.67
CN1CCC[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078312	0	36	-1.0	-50.37	315.86	-3.96	-54.33
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078313	0	31	-1.0	-49.18	286.89	-1.89	-51.07
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078314	0	34	-1.0	-49.00	298.92	-1.53	-50.53
O=C(NCCNC(=O)[C@]12C[C@H]1CCC2)c1nsnc1[O-]	REAL250005078315	0	35	-1.0	-49.20	310.09	-0.74	-49.94
CCC(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078316	0	30	-1.0	-49.61	282.77	-2.53	-52.14
O=C(CCCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078317	0	30	-1.0	-51.76	283.09	-2.43	-54.19
Cc1cocc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078318	0	31	-1.0	-52.01	292.63	-2.37	-54.38
C[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078319	0	31	-1.0	-49.19	286.90	-1.89	-51.08
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])C=CCC1	REAL250005078320	0	35	-1.0	-48.74	309.27	-1.02	-49.76
Cn1nnc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078321	0	29	-1.0	-52.54	285.85	-5.33	-57.87
CC(C)C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078322	0	33	-1.0	-48.99	297.28	-1.94	-50.93
C=CC(C)C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078323	0	37	-1.0	-48.23	323.07	-0.89	-49.12
CCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078324	0	37	-1.0	-49.02	318.96	-1.05	-50.07
CC#CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078325	0	35	-1.0	-52.64	325.60	-0.31	-52.95
O=C(NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nsnc1[O-]	REAL250005078326	0	33	-1.0	-49.03	301.27	-3.18	-52.21
O=C(CCCC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078327	0	37	-1.0	-49.54	329.61	-0.22	-49.76
CC1(C)CCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078328	0	37	-1.0	-48.84	318.56	-1.10	-49.94
Cc1coc(C(=O)NCCNC(=O)c2nsnc2[O-])c1	REAL250005078329	0	31	-1.0	-49.97	296.51	-2.33	-52.30
C=CC(CC)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078330	0	37	-1.0	-49.15	326.54	-0.76	-49.91
CC(C)(C(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078331	0	37	-1.0	-49.20	316.58	-0.86	-50.06
O=C(NCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nsnc1[O-]	REAL250005078332	0	35	-1.0	-48.87	309.43	-0.72	-49.59
O=C(Cc1cnoc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078333	0	30	-1.0	-53.82	289.99	-2.96	-56.78
O=C(NCCNC(=O)c1ccncn1)c1nsnc1[O-]	REAL250005078334	0	29	-1.0	-49.56	282.64	-2.95	-52.51
O=C(Cc1ccco1)NCCNC(=O)c1nsnc1[O-]	REAL250005078335	0	31	-1.0	-52.95	295.76	-2.22	-55.17
O=C(NCCNC(=O)c1ncccn1)c1nsnc1[O-]	REAL250005078336	0	29	-1.0	-54.59	283.21	-3.56	-58.15
O=C(NCCNC(=O)c1cccnn1)c1nsnc1[O-]	REAL250005078337	0	29	-1.0	-52.53	282.66	-3.89	-56.42
C=CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078338	0	34	-1.0	-49.63	310.81	-1.23	-50.86
CCC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078339	0	36	-1.0	-48.87	307.66	-1.60	-50.47
NC(=O)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078340	0	32	-1.0	-50.61	302.56	-6.03	-56.64
NC(=O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078341	0	25	-1.0	-49.13	250.34	-8.01	-57.14
Cc1nocc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078342	0	30	-1.0	-51.48	287.82	-2.99	-54.47
CCC1(C)CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078343	0	37	-1.0	-48.57	319.18	-0.70	-49.27
CC1(CCC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078344	0	37	-1.0	-49.27	324.46	-0.64	-49.91
Cc1cnoc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078345	0	30	-1.0	-48.82	287.61	-2.92	-51.74
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC=CC1	REAL250005078346	0	35	-1.0	-49.16	308.95	-1.02	-50.18
CC1CC1CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078347	0	34	-1.0	-49.53	307.31	-1.12	-50.65
C=CC(C)(CC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078348	0	37	-1.0	-48.64	316.31	-0.54	-49.18
CCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078349	0	34	-1.0	-49.17	307.18	-1.36	-50.53
CC(F)(F)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078350	0	30	-1.0	-54.54	286.90	-2.38	-56.92
CCCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078351	0	37	-1.0	-49.08	328.67	-0.58	-49.66
CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078352	0	37	-1.0	-49.10	329.80	-0.35	-49.45
CC(C)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078353	0	37	-1.0	-48.97	320.85	-1.00	-49.97
C=C1CC(C)(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078354	0	35	-1.0	-48.48	312.99	-1.00	-49.48
O=C(NCCNC(=O)C1(CF)CC1)c1nsnc1[O-]	REAL250005078355	0	31	-1.0	-51.82	293.14	-1.91	-53.73
O=C(NCCNC(=O)C1CC2(CC2)C1)c1nsnc1[O-]	REAL250005078356	0	35	-1.0	-48.82	314.09	-0.67	-49.49
CC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078357	0	33	-1.0	-48.81	293.43	-2.10	-50.91
Cc1conc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078358	0	30	-1.0	-51.30	287.90	-3.11	-54.41
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078359	0	32	-1.0	-57.55	300.88	-5.98	-63.53
O=C(Cn1cncn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078360	0	30	-1.0	-58.77	289.97	-1.49	-60.26
O=C(Cc1nc[nH]n1)NCCNC(=O)c1nsnc1[O-]	REAL250005078361	0	30	-1.0	-56.95	289.62	-3.50	-60.45
CC(C)C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078362	0	36	-1.0	-48.39	308.57	-1.46	-49.85
CC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078363	0	34	-1.0	-49.14	308.29	-1.13	-50.27
O=C(NCCNC(=O)C1CC12CC2)c1nsnc1[O-]	REAL250005078364	0	32	-1.0	-49.54	297.96	-1.10	-50.64
O=C(Cc1cnc[nH]1)NCCNC(=O)c1nsnc1[O-]	REAL250005078365	0	31	-1.0	-55.60	294.38	-2.87	-58.47
O=C(NCCNC(=O)[C@@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005078366	0	29	-1.0	-55.78	279.94	-6.65	-62.43
O=C(NCCNC(=O)C1=CCCCC1)c1nsnc1[O-]	REAL250005078367	0	35	-1.0	-49.00	306.40	-0.81	-49.81
CC(=CC(=O)NCCNC(=O)c1nsnc1[O-])C(C)C	REAL250005078368	0	37	-1.0	-48.43	322.97	-0.77	-49.20
O=C(NCCNC(=O)[C@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005078369	0	29	-1.0	-56.22	279.46	-6.99	-63.21
O=C(Cn1cncn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078370	0	30	-1.0	-58.77	289.97	-1.49	-60.26
COC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078371	0	32	-1.0	-48.09	296.13	-3.50	-51.59
O=C(NCCNC(=O)C1CSC1)c1nsnc1[O-]	REAL250005078372	0	29	-1.0	-49.08	281.60	-2.41	-51.49
C=CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078373	0	28	-1.0	-49.54	267.91	-2.79	-52.33
CN(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078374	0	32	-1.0	-49.78	288.50	-5.00	-54.78
C=CC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078375	0	29	-1.0	-49.55	279.00	-4.92	-54.47
[N-]=[N+]=NCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078376	0	32	-1.0	-51.85	306.63	-5.92	-57.77
CC(C(=O)NCCNC(=O)c1nsnc1[O-])N1CCC1	REAL250005078377	0	36	-1.0	-50.17	314.72	-4.48	-54.65
O=C(NCCNC(=O)[C@H]1CC1(F)F)c1nsnc1[O-]	REAL250005078378	0	28	-1.0	-50.48	278.51	-2.40	-52.88
O=C(Cc1cn[nH]c1)NCCNC(=O)c1nsnc1[O-]	REAL250005078379	0	31	-1.0	-53.86	294.86	-3.87	-57.73
CC1=C(C(=O)NCCNC(=O)c2nsnc2[O-])CCO1	REAL250005078380	0	33	-1.0	-49.14	298.60	-2.68	-51.82
O=C(C=C1CCCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078381	0	35	-1.0	-49.22	309.71	-0.73	-49.95
CN(CC(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078382	0	36	-1.0	-49.79	313.87	-3.61	-53.40
CC(C)=CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078383	0	37	-1.0	-49.06	328.29	-0.59	-49.65
O=C(NCCNC(=O)C1COC1)c1nsnc1[O-]	REAL250005078384	0	29	-1.0	-49.71	272.35	-4.83	-54.54
CN1CC(CC(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078385	0	36	-1.0	-50.43	317.79	-4.98	-55.41
CO[C@H](C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078386	0	31	-1.0	-51.79	287.50	-3.27	-55.06
Cc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])n[nH]1	REAL250005078387	0	30	-1.0	-55.28	289.99	-4.06	-59.34
O=C(NCCNC(=O)c1nsnc1[O-])c1coc(=O)[nH]1	REAL250005078388	0	28	-1.0	-54.11	278.14	-5.96	-60.07
CC=CC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078389	0	32	-1.0	-49.31	300.71	-4.06	-53.37
C[C@@H](C(=O)NCCNC(=O)c1nsnc1[O-])N(C)C	REAL250005078390	0	35	-1.0	-49.53	302.66	-4.63	-54.16
CCC=C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078391	0	31	-1.0	-47.42	293.84	-1.92	-49.34
CCC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078392	0	31	-1.0	-49.35	289.66	-1.96	-51.31
[N-]=[N+]=NCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078393	0	26	-1.0	-51.39	264.11	-7.39	-58.78
O=C(NCCNC(=O)C1CCC(=O)N1)c1nsnc1[O-]	REAL250005078394	0	32	-1.0	-55.91	297.30	-5.44	-61.35
CC(C)(CO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078395	0	34	-1.0	-48.89	302.78	-5.30	-54.19
Cn1ccnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078396	0	31	-1.0	-51.71	291.70	-2.56	-54.27
CC(=CC1CC1)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078397	0	35	-1.0	-49.28	314.24	-0.52	-49.80
O=C(NCCNC(=O)C1CCC=CO1)c1nsnc1[O-]	REAL250005078398	0	33	-1.0	-51.25	300.59	-1.68	-52.93
O=C(NCCNC(=O)C1(F)CCC1)c1nsnc1[O-]	REAL250005078399	0	31	-1.0	-47.75	288.10	-2.02	-49.77
NC(=O)C=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078400	0	29	-1.0	-52.34	284.96	-6.69	-59.03
CC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078401	0	28	-1.0	-49.90	265.79	-5.47	-55.37
O=C(NCCNC(=O)C1(O)CCC1)c1nsnc1[O-]	REAL250005078402	0	32	-1.0	-48.91	288.28	-5.13	-54.04
O=C(NCCNC(=O)C(O)C1CC1)c1nsnc1[O-]	REAL250005078403	0	32	-1.0	-49.09	294.08	-3.67	-52.76
O=C(Cn1cnnc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078404	0	30	-1.0	-59.98	290.49	-0.57	-60.55
C=CCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078405	0	34	-1.0	-48.70	307.17	-1.42	-50.12
O=C(NCCNC(=O)C1CC1F)c1nsnc1[O-]	REAL250005078406	0	28	-1.0	-48.22	272.31	-2.47	-50.69
C[C@@H](C(=O)NCCNC(=O)c1nsnc1[O-])N(C)C	REAL250005078407	0	35	-1.0	-49.53	302.66	-4.63	-54.16
O=C(CCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078408	0	27	-1.0	-48.71	261.59	-3.19	-51.90
O=C(Cn1ccnn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078409	0	30	-1.0	-61.10	289.08	-4.21	-65.31
C=CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078410	0	35	-1.0	-48.68	308.97	-0.53	-49.21
O=C(NCCNC(=O)C1(O)COC1)c1nsnc1[O-]	REAL250005078411	0	30	-1.0	-49.91	280.59	-7.35	-57.26
CC(C(=O)NCCNC(=O)c1nsnc1[O-])=C1CC1	REAL250005078412	0	32	-1.0	-49.98	297.78	-1.10	-51.08
CCC1CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078413	0	34	-1.0	-48.80	302.83	-1.11	-49.91
O=C(CC1(O)CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078414	0	32	-1.0	-53.03	296.94	-5.32	-58.35
O=C(C=CCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078415	0	28	-1.0	-51.15	274.75	-2.61	-53.76
O=C(NCCNC(=O)C1=CCCOC1)c1nsnc1[O-]	REAL250005078416	0	33	-1.0	-50.04	297.72	-3.20	-53.24
C#CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078417	0	29	-1.0	-49.48	282.28	-2.05	-51.53
O=C(CN1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078418	0	33	-1.0	-50.71	296.36	-5.42	-56.13
C#C[C@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078419	0	30	-1.0	-51.99	288.38	-1.40	-53.39
[N-]=[N+]=NC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078420	0	30	-1.0	-48.16	288.73	-5.49	-53.65
O=C(NCCNC(=O)c1nsnc1[O-])c1c[nH]c(=O)o1	REAL250005078421	0	28	-1.0	-53.71	279.30	-5.75	-59.46
CC(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078422	0	37	-1.0	-49.07	327.36	-0.58	-49.65
O=C(NCCNC(=O)C1C2CCC21)c1nsnc1[O-]	REAL250005078423	0	32	-1.0	-49.30	288.21	-1.23	-50.53
C=C1CCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078424	0	32	-1.0	-48.47	294.55	-1.58	-50.05
C[C@H]1C(C(=O)NCCNC(=O)c2nsnc2[O-])[C@H]1C	REAL250005078425	0	34	-1.0	-49.10	303.38	-1.34	-50.44
C[C@H](C(=O)NCCNC(=O)c1nsnc1[O-])N(C)C	REAL250005078426	0	35	-1.0	-49.41	302.34	-4.65	-54.06
CC=CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078427	0	32	-1.0	-49.56	303.74	-1.29	-50.85
Cn1ncnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078428	0	30	-1.0	-49.11	286.45	-2.60	-51.71
O=C(NCCNC(=O)[C@@H]1CC=CCC1)c1nsnc1[O-]	REAL250005078429	0	35	-1.0	-48.57	308.53	-0.88	-49.45
COCC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078430	0	32	-1.0	-51.20	301.93	-3.68	-54.88
CC1CN(CC(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078431	0	36	-1.0	-51.33	318.48	-4.41	-55.74
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])COC1	REAL250005078432	0	32	-1.0	-51.48	290.45	-4.25	-55.73
O=C(NCCNC(=O)C1=CCCCO1)c1nsnc1[O-]	REAL250005078433	0	33	-1.0	-49.14	299.39	-2.63	-51.77
CC1=NOC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078434	0	32	-1.0	-56.55	300.37	-2.68	-59.23
O=C(NCCNC(=O)c1nsnc1[O-])C(=O)NC1CC1	REAL250005078435	0	32	-1.0	-48.71	303.88	-4.80	-53.51
O=C(NCCNC(=O)C1CCO1)c1nsnc1[O-]	REAL250005078436	0	29	-1.0	-51.80	272.52	-3.78	-55.58
[N-]=[N+]=NCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078437	0	29	-1.0	-48.64	285.13	-6.72	-55.36
C#CCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078438	0	30	-1.0	-54.88	295.36	-2.48	-57.36
O=C(Cc1nnco1)NCCNC(=O)c1nsnc1[O-]	REAL250005078439	0	29	-1.0	-57.87	285.13	-8.18	-66.05
CC(C)(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078440	0	31	-1.0	-52.93	284.54	-4.77	-57.70
CC1=CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078441	0	29	-1.0	-50.03	280.56	-1.87	-51.90
CN(C)C(=O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078442	0	31	-1.0	-49.29	287.73	-4.51	-53.80
CSC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078443	0	29	-1.0	-49.20	290.62	-2.42	-51.62
CCC(C)(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078444	0	34	-1.0	-48.10	302.30	-5.21	-53.31
CCN(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078445	0	35	-1.0	-49.62	306.47	-4.21	-53.83
CCC=CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078446	0	35	-1.0	-49.38	324.83	-0.53	-49.91
O=C(NCCNC(=O)C1=NNC(=O)C1)c1nsnc1[O-]	REAL250005078447	0	29	-1.0	-49.72	284.82	-6.31	-56.03
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])c[nH]1	REAL250005078448	0	32	-1.0	-54.13	299.54	-2.60	-56.73
CC1=C(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078449	0	35	-1.0	-49.01	310.07	-0.76	-49.77
C=C1CC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078450	0	32	-1.0	-48.82	295.24	-1.55	-50.37
Cc1ncc(C(=O)NCCNC(=O)c2nsnc2[O-])o1	REAL250005078451	0	30	-1.0	-49.91	291.39	-5.57	-55.48
O=C(NCCNC(=O)C1CCC1F)c1nsnc1[O-]	REAL250005078452	0	31	-1.0	-49.95	288.38	-1.97	-51.92
O=C(NCCNC(=O)c1nsnc1[O-])c1cnc[nH]1	REAL250005078453	0	28	-1.0	-52.54	272.32	-3.50	-56.04
Cc1noc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078454	0	29	-1.0	-49.73	285.93	-5.56	-55.29
O=C(NCCNC(=O)C1CC2CC2C1)c1nsnc1[O-]	REAL250005078455	0	35	-1.0	-48.59	307.42	-0.79	-49.38
O=C(NCCNC(=O)C1(Cl)CC1)c1nsnc1[O-]	REAL250005078456	0	28	-1.0	-47.55	280.77	-2.02	-49.57
O=C(NCCNC(=O)C1=CCCO1)c1nsnc1[O-]	REAL250005078457	0	30	-1.0	-49.23	283.10	-3.45	-52.68
CN(C)CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078458	0	36	-1.0	-49.93	324.06	-3.90	-53.83
CCC[C@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078459	0	34	-1.0	-49.25	307.78	-3.86	-53.11
CC(C)[C@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078460	0	34	-1.0	-48.85	300.61	-3.47	-52.32
CCOC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078461	0	32	-1.0	-49.59	301.64	-3.10	-52.69
CCN1CCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078462	0	36	-1.0	-51.21	318.58	-4.50	-55.71
C[C@@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078463	0	28	-1.0	-49.90	265.80	-5.46	-55.36
CCC(C)=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078464	0	37	-1.0	-48.57	319.29	-0.61	-49.18
O=C(NCCNC(=O)c1nsnc1[O-])c1cnsc1	REAL250005078465	0	27	-1.0	-49.92	276.29	-3.39	-53.31
CC1CC(C)(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078466	0	37	-1.0	-48.85	314.96	-1.07	-49.92
O=C(CCCCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078467	0	33	-1.0	-49.84	304.58	-1.65	-51.49
O=C(C=CCO)NCCNC(=O)c1nsnc1[O-]	REAL250005078468	0	29	-1.0	-52.51	279.67	-6.09	-58.60
O=C(Cc1cnco1)NCCNC(=O)c1nsnc1[O-]	REAL250005078469	0	30	-1.0	-55.05	290.43	-5.50	-60.55
COC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078470	0	34	-1.0	-51.89	299.45	-2.78	-54.67
O=C(NCCNC(=O)C(F)(F)CO)c1nsnc1[O-]	REAL250005078471	0	28	-1.0	-50.01	276.37	-5.10	-55.11
O=C(CCCCO)NCCNC(=O)c1nsnc1[O-]	REAL250005078472	0	34	-1.0	-50.76	309.41	-5.12	-55.88
Cc1oncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078473	0	30	-1.0	-49.37	287.33	-2.79	-52.16
O=C(NCCNC(=O)C1CNC(=O)C1)c1nsnc1[O-]	REAL250005078474	0	32	-1.0	-54.40	295.53	-5.76	-60.16
O=C(NCCNC(=O)c1nsnc1[O-])c1cncs1	REAL250005078475	0	27	-1.0	-50.07	277.55	-3.88	-53.95
Cc1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])[nH]1	REAL250005078476	0	32	-1.0	-50.77	299.42	-2.67	-53.44
O=C(NCCNC(=O)C1(CO)CC1)c1nsnc1[O-]	REAL250005078477	0	32	-1.0	-52.52	297.95	-5.40	-57.92
O=C(NCCNC(=O)[C@]12C[C@H]1[C@H](O)C2)c1nsnc1[O-]	REAL250005078478	0	33	-1.0	-53.06	305.36	-4.76	-57.82
COC(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078479	0	28	-1.0	-51.89	273.62	-4.49	-56.38
O=C(NCCNC(=O)C12CC1CC2)c1nsnc1[O-]	REAL250005078480	0	32	-1.0	-49.35	293.96	-1.36	-50.71
CCCC(C)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078481	0	37	-1.0	-48.40	327.65	-0.49	-48.89
C=C[C@H](C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078482	0	34	-1.0	-48.79	306.01	-1.45	-50.24
O=C(C=CC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078483	0	32	-1.0	-49.32	300.55	-1.15	-50.47
CC=C(CC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078484	0	34	-1.0	-49.16	304.35	-1.34	-50.50
O=C(CC12CC(C1)C2)NCCNC(=O)c1nsnc1[O-]	REAL250005078485	0	35	-1.0	-49.92	308.60	-0.62	-50.54
C=CC(C)(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078486	0	32	-1.0	-48.37	295.66	-5.16	-53.53
CN(C)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078487	0	36	-1.0	-48.21	317.38	-3.72	-51.93
O=C(NCCNC(=O)C12CC(C1)CO2)c1nsnc1[O-]	REAL250005078488	0	33	-1.0	-49.28	298.60	-3.35	-52.63
O=C(NCCNC(=O)C12CC(C1)OC2)c1nsnc1[O-]	REAL250005078489	0	33	-1.0	-49.38	299.37	-3.57	-52.95
C[C@@H]1C[C@@]2(C(=O)NCCNC(=O)c3nsnc3[O-])C[C@@H]12	REAL250005078490	0	35	-1.0	-49.35	314.94	-0.72	-50.07
O=C(Cn1cncn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078491	0	30	-1.0	-58.77	289.97	-1.49	-60.26
CC1(C#CC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078492	0	33	-1.0	-50.06	315.01	-0.63	-50.69
O=C(NCCNC(=O)c1nsnc1[O-])C1=CCC1	REAL250005078493	0	29	-1.0	-50.08	276.00	-1.99	-52.07
CON=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078494	0	28	-1.0	-51.45	277.46	-4.76	-56.21
C#CCC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078495	0	35	-1.0	-48.70	316.89	-1.02	-49.72
O=C(NCCNC(=O)c1nsnc1[O-])c1nc(=O)[nH][nH]1	REAL250005078496	0	28	-1.0	-54.87	278.85	-7.80	-62.67
O=C(NCCNC(=O)C1(F)CC1)c1nsnc1[O-]	REAL250005078497	0	28	-1.0	-47.81	271.58	-2.50	-50.31
O=C(COCCO)NCCNC(=O)c1nsnc1[O-]	REAL250005078498	0	32	-1.0	-55.48	300.95	-6.14	-61.62
CC(C)(CF)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078499	0	33	-1.0	-47.59	298.43	-2.01	-49.60
O=C(NCCNC(=O)C1=NOCC1)c1nsnc1[O-]	REAL250005078500	0	29	-1.0	-49.12	279.03	-4.49	-53.61
CC1CC(C(=O)NCCNC(=O)c2nsnc2[O-])=NO1	REAL250005078501	0	32	-1.0	-48.84	300.12	-3.73	-52.57
COCC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078502	0	32	-1.0	-50.21	299.14	-6.16	-56.37
C#CC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078503	0	32	-1.0	-50.90	299.25	-1.66	-52.56
CC1CCN1CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078504	0	36	-1.0	-50.25	311.92	-4.79	-55.04
O=C(COC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078505	0	32	-1.0	-52.97	299.94	-2.23	-55.20
O=C(NCCNC(=O)c1nsnc1[O-])c1ncc[nH]1	REAL250005078506	0	28	-1.0	-51.52	273.45	-4.30	-55.82
O=C(C=CC1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078507	0	35	-1.0	-49.13	316.98	-0.62	-49.75
CCCC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078508	0	34	-1.0	-49.22	311.16	-1.19	-50.41
CC=C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078509	0	28	-1.0	-47.67	273.54	-2.66	-50.33
O=C(CC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078510	0	31	-1.0	-49.57	285.93	-1.79	-51.36
CC(C)(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078511	0	30	-1.0	-48.20	280.67	-2.62	-50.82
CC(F)(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078512	0	27	-1.0	-46.97	266.85	-3.14	-50.11
COCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078513	0	28	-1.0	-52.23	267.72	-3.97	-56.20
O=C(NCCNC(=O)c1ccccn1)c1nsnc1[O-]	REAL250005078514	0	30	-1.0	-51.12	287.60	-2.73	-53.85
O=C(NCCNC(=O)c1ccncc1)c1nsnc1[O-]	REAL250005078515	0	30	-1.0	-50.04	285.57	-2.79	-52.83
CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078516	0	30	-1.0	-49.29	276.50	-2.57	-51.86
O=C(NCCNC(=O)c1cccnc1)c1nsnc1[O-]	REAL250005078517	0	30	-1.0	-50.57	285.37	-2.80	-53.37
O=C(NCCNC(=O)c1nsnc1[O-])c1ccco1	REAL250005078518	0	28	-1.0	-50.19	274.62	-3.02	-53.21
CC(=O)NCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078519	0	31	-1.0	-51.62	293.66	-5.65	-57.27
O=C(NCCNC(=O)c1ccccc1)c1nsnc1[O-]	REAL250005078520	0	31	-1.0	-50.23	290.39	-1.03	-51.26
CC(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078521	0	33	-1.0	-48.94	293.22	-1.98	-50.92
O=C(NCCNC(=O)C1CCCCC1)c1nsnc1[O-]	REAL250005078522	0	37	-1.0	-48.66	316.17	-0.77	-49.43
O=C(NCCNC(=O)c1cnccn1)c1nsnc1[O-]	REAL250005078523	0	29	-1.0	-50.83	282.39	-4.61	-55.44
O=C(CC1CCCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078524	0	37	-1.0	-49.19	318.20	-0.72	-49.91
O=C(NCCNC(=O)c1nsnc1[O-])c1cccs1	REAL250005078525	0	28	-1.0	-49.27	282.53	-2.02	-51.29
CC1CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078526	0	31	-1.0	-49.18	286.89	-1.89	-51.07
CCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078527	0	31	-1.0	-52.25	289.57	-3.01	-55.26
CC(C)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078528	0	31	-1.0	-48.93	284.37	-2.03	-50.96
Cc1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])o1	REAL250005078529	0	31	-1.0	-49.85	296.53	-2.20	-52.05
O=C(NCCNC(=O)C1CCCO1)c1nsnc1[O-]	REAL250005078530	0	32	-1.0	-52.35	291.01	-2.76	-55.11
CSCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078531	0	28	-1.0	-51.39	278.06	-2.91	-54.30
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])no1	REAL250005078532	0	30	-1.0	-50.54	291.03	-2.95	-53.49
CSCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078533	0	31	-1.0	-48.82	299.73	-2.10	-50.92
CC(C)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078534	0	36	-1.0	-49.19	315.56	-1.28	-50.47
O=C(NCCNC(=O)c1nsnc1[O-])c1ccsc1	REAL250005078535	0	28	-1.0	-50.04	281.73	-2.12	-52.16
Cc1occc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078536	0	31	-1.0	-49.94	292.06	-2.25	-52.19
O=C(CC1C=CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078537	0	35	-1.0	-49.65	310.36	-0.81	-50.46
O=C(Cn1cnnn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078538	0	29	-1.0	-63.08	283.80	-3.78	-66.86
Cn1cc(C(=O)NCCNC(=O)c2nsnc2[O-])cn1	REAL250005078539	0	31	-1.0	-52.31	295.43	-3.29	-55.60
O=C(NCCNC(=O)C1CC=CCC1)c1nsnc1[O-]	REAL250005078540	0	35	-1.0	-48.55	308.44	-0.88	-49.43
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])on1	REAL250005078541	0	30	-1.0	-49.03	291.06	-3.00	-52.03
O=C(NCCNC(=O)c1nsnc1[O-])c1ccc[nH]1	REAL250005078542	0	29	-1.0	-51.52	277.50	-3.23	-54.75
O=C(NCCNC(=O)c1nsnc1[O-])c1ccoc1	REAL250005078543	0	28	-1.0	-52.31	273.78	-3.06	-55.37
O=C(Cn1cccn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078544	0	31	-1.0	-56.81	295.22	-2.92	-59.73
Cc1ccoc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078545	0	31	-1.0	-50.14	292.50	-2.34	-52.48
CCCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078546	0	36	-1.0	-49.30	319.49	-1.01	-50.31
CC(C)(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078547	0	36	-1.0	-48.20	308.19	-1.46	-49.66
Cn1cccc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078548	0	32	-1.0	-50.25	295.35	-1.60	-51.85
CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078549	0	33	-1.0	-49.31	297.99	-1.79	-51.10
CC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078550	0	30	-1.0	-49.02	274.55	-2.66	-51.68
CCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078551	0	33	-1.0	-48.96	292.66	-2.01	-50.97
CCC(CC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078552	0	36	-1.0	-48.84	309.26	-1.58	-50.42
O=C(NCCNC(=O)c1nsnc1[O-])c1cc[nH]n1	REAL250005078553	0	28	-1.0	-52.77	273.20	-4.58	-57.35
CSC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078554	0	31	-1.0	-51.08	296.61	-2.34	-53.42
CCOC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078555	0	34	-1.0	-51.79	309.36	-2.31	-54.10
O=C(NCCNC(=O)c1nsnc1[O-])c1cn[nH]c1	REAL250005078556	0	28	-1.0	-51.54	272.49	-4.59	-56.13
COCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078557	0	34	-1.0	-51.74	310.17	-3.50	-55.24
O=C(NCCNC(=O)c1nsnc1[O-])c1ccon1	REAL250005078558	0	27	-1.0	-51.49	269.09	-3.78	-55.27
CC(=CC(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078559	0	35	-1.0	-48.50	312.58	-0.58	-49.08
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])[nH]n1	REAL250005078560	0	31	-1.0	-49.98	294.15	-3.98	-53.96
O=C(NCCNC(=O)c1nsnc1[O-])c1cncs1	REAL250005078561	0	27	-1.0	-50.07	277.55	-3.88	-53.95
CCC=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078562	0	34	-1.0	-49.31	303.70	-1.28	-50.59
Cc1ocnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078563	0	30	-1.0	-50.98	288.97	-5.58	-56.56
O=C(CC(F)(F)F)NCCNC(=O)c1nsnc1[O-]	REAL250005078564	0	27	-1.0	-52.00	272.41	-2.92	-54.92
COC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078565	0	31	-1.0	-51.79	287.50	-3.26	-55.05
CC(C)OCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078566	0	34	-1.0	-52.09	309.85	-2.28	-54.37
CCCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078567	0	34	-1.0	-52.02	311.07	-2.21	-54.23
O=C(NCCNC(=O)C1CCOC1)c1nsnc1[O-]	REAL250005078568	0	32	-1.0	-50.66	288.90	-3.97	-54.63
Cn1nccc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078569	0	31	-1.0	-49.87	290.85	-3.31	-53.18
CCC(OC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078570	0	34	-1.0	-50.49	308.71	-2.43	-52.92
COC(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078571	0	34	-1.0	-50.63	307.81	-2.74	-53.37
C=CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078572	0	31	-1.0	-49.15	289.31	-2.01	-51.16
O=C(NCCNC(=O)C1=COCCC1)c1nsnc1[O-]	REAL250005078573	0	33	-1.0	-49.67	296.59	-2.73	-52.40
CCOCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078574	0	34	-1.0	-49.14	310.52	-3.30	-52.44
O=C(NCCNC(=O)c1nsnc1[O-])c1cscn1	REAL250005078575	0	27	-1.0	-51.03	277.63	-4.03	-55.06
COCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078576	0	34	-1.0	-48.65	307.37	-3.55	-52.20
C=CCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078577	0	32	-1.0	-52.51	302.48	-2.44	-54.95
O=C(NCCNC(=O)c1nsnc1[O-])c1cocn1	REAL250005078578	0	27	-1.0	-51.47	269.40	-6.43	-57.90
O=C(NCCNC(=O)[C@H]1CCC(=O)N1)c1nsnc1[O-]	REAL250005078579	0	32	-1.0	-56.41	297.33	-5.45	-61.86
Cc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])c[nH]1	REAL250005078580	0	31	-1.0	-53.31	295.26	-3.65	-56.96
CN1CCCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078581	0	36	-1.0	-50.64	315.94	-3.79	-54.43
CC(C)(C)/C=C/C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078582	0	37	-1.0	-49.00	326.50	-0.93	-49.93
CC(C#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078583	0	28	-1.0	-54.96	273.97	-3.04	-58.00
CCCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078584	0	36	-1.0	-48.98	314.16	-1.26	-50.24
O=C(CCC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078585	0	34	-1.0	-49.33	308.11	-1.00	-50.33
O=C(Cc1ccon1)NCCNC(=O)c1nsnc1[O-]	REAL250005078586	0	30	-1.0	-56.24	289.23	-2.99	-59.23
O=C(NCCNC(=O)C1CC=CC1)c1nsnc1[O-]	REAL250005078587	0	32	-1.0	-48.81	290.53	-1.57	-50.38
O=C(Cc1ccn[nH]1)NCCNC(=O)c1nsnc1[O-]	REAL250005078588	0	31	-1.0	-53.90	294.90	-4.02	-57.92
O=C(CC1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078589	0	34	-1.0	-49.44	302.91	-1.28	-50.72
Cc1ncoc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078590	0	30	-1.0	-50.49	287.37	-5.71	-56.20
CC(C(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078591	0	34	-1.0	-49.14	303.85	-1.22	-50.36
O=C(NCCNC(=O)C1C2CCCC21)c1nsnc1[O-]	REAL250005078592	0	35	-1.0	-48.97	303.51	-0.52	-49.49
O=C(CCC1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078593	0	37	-1.0	-49.19	324.73	-0.49	-49.68
Cc1[nH]ccc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078594	0	32	-1.0	-51.75	295.84	-2.59	-54.34
CC=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078595	0	31	-1.0	-49.53	283.31	-2.05	-51.58
CC1CC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078596	0	34	-1.0	-49.27	302.15	-1.43	-50.70
O=C(C=C1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078597	0	32	-1.0	-49.74	294.16	-1.34	-51.08
CCC(=CC(=O)NCCNC(=O)c1nsnc1[O-])CC	REAL250005078598	0	37	-1.0	-48.26	324.75	-0.54	-48.80
CC(C)=C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078599	0	31	-1.0	-47.41	289.43	-1.95	-49.36
O=C(NCCNC(=O)c1nsnc1[O-])C1=CCCC1	REAL250005078600	0	32	-1.0	-49.27	291.58	-1.47	-50.74
Cn1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])c1	REAL250005078601	0	32	-1.0	-52.27	300.42	-1.43	-53.70
Cn1cnc(C(=O)NCCNC(=O)c2nsnc2[O-])c1	REAL250005078602	0	31	-1.0	-54.11	295.95	-1.81	-55.92
CC1(C)CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078603	0	34	-1.0	-48.66	302.12	-1.34	-50.00
CC1(C)C[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078604	0	34	-1.0	-48.66	302.12	-1.34	-50.00
O=C(NCCNC(=O)[C@@H]1CCCO1)c1nsnc1[O-]	REAL250005078605	0	32	-1.0	-52.40	291.22	-2.81	-55.21
C#CCCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078606	0	35	-1.0	-50.33	325.28	-0.49	-50.82
O=C(NCCNC(=O)c1cncnc1)c1nsnc1[O-]	REAL250005078607	0	29	-1.0	-49.80	280.32	-2.98	-52.78
O=C(NCCNC(=O)C1=CCOCC1)c1nsnc1[O-]	REAL250005078608	0	33	-1.0	-49.87	297.72	-3.21	-53.08
O=C(Cc1ccoc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078609	0	31	-1.0	-52.16	295.75	-2.39	-54.55
Cc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])co1	REAL250005078610	0	30	-1.0	-50.71	291.39	-5.69	-56.40
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])co1	REAL250005078611	0	31	-1.0	-52.10	295.68	-2.23	-54.33
CCC(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078612	0	36	-1.0	-48.88	311.45	-1.32	-50.20
C#CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078613	0	32	-1.0	-51.94	303.78	-1.27	-53.21
CC(C)(O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078614	0	34	-1.0	-51.96	301.98	-4.24	-56.20
Cc1cc[nH]c1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078615	0	32	-1.0	-51.20	295.46	-2.55	-53.75
Cn1nncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078616	0	30	-1.0	-50.58	285.60	-4.70	-55.28
CC1(C)CC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078617	0	37	-1.0	-48.84	322.02	-0.96	-49.80
CC(C)[C@@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078618	0	34	-1.0	-48.75	301.02	-3.59	-52.34
Cn1cc(C(=O)NCCNC(=O)c2nsnc2[O-])nn1	REAL250005078619	0	30	-1.0	-53.32	291.45	-4.72	-58.04
Cn1cnc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078620	0	30	-1.0	-56.65	290.89	-2.62	-59.27
O=C(NCCNC(=O)C1CC1(F)F)c1nsnc1[O-]	REAL250005078621	0	28	-1.0	-50.50	278.51	-2.40	-52.90
CCC(C)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078622	0	34	-1.0	-48.53	306.15	-1.27	-49.80
CC(C)C#CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078623	0	32	-1.0	-49.81	304.39	-1.31	-51.12
Cc1c[nH]nc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078624	0	31	-1.0	-52.51	291.65	-3.89	-56.40
CC(C(=O)NCCNC(=O)c1nsnc1[O-])=C1CCC1	REAL250005078625	0	35	-1.0	-49.66	311.87	-0.58	-50.24
O=C(C#CC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078626	0	30	-1.0	-50.10	294.06	-1.14	-51.24
CC(C)(C)C#CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078627	0	35	-1.0	-49.68	324.53	-0.77	-50.45
COCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078628	0	31	-1.0	-49.15	288.67	-4.26	-53.41
O=C(NCCNC(=O)C1CC1)c1nsnc1[O-]	REAL250005078629	0	28	-1.0	-49.32	265.51	-2.56	-51.88
O=C(NCCNC(=O)C1CCC1)c1nsnc1[O-]	REAL250005078630	0	31	-1.0	-49.08	281.71	-2.06	-51.14
O=C(NCCNC(=O)C1CCCC1)c1nsnc1[O-]	REAL250005078631	0	34	-1.0	-48.90	298.05	-1.45	-50.35
Cn1ncc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078632	0	30	-1.0	-50.47	290.96	-4.89	-55.36
O=C(NCCNC(=O)[C@]12C[C@H]1CCC2)c1nsnc1[O-]	REAL250005078633	0	35	-1.0	-49.20	310.09	-0.74	-49.94
O=C(NCCNC(=O)[C@@H]1CCC(=O)N1)c1nsnc1[O-]	REAL250005078634	0	32	-1.0	-55.90	297.30	-5.44	-61.34
O=C(NCCNC(=O)c1ccncn1)c1nsnc1[O-]	REAL250005078635	0	29	-1.0	-49.56	282.64	-2.95	-52.51
O=C(Cc1ccco1)NCCNC(=O)c1nsnc1[O-]	REAL250005078636	0	31	-1.0	-52.95	295.76	-2.22	-55.17
O=C(NCCNC(=O)c1ncccn1)c1nsnc1[O-]	REAL250005078637	0	29	-1.0	-54.59	283.21	-3.56	-58.15
O=C(NCCNC(=O)c1cccnn1)c1nsnc1[O-]	REAL250005078638	0	29	-1.0	-52.53	282.66	-3.89	-56.42
CCC1(C)CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078639	0	37	-1.0	-48.57	319.18	-0.70	-49.27
CC1(CCC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078640	0	37	-1.0	-49.27	324.46	-0.64	-49.91
Cc1cnoc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078641	0	30	-1.0	-48.82	287.61	-2.92	-51.74
Cc1conc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078642	0	30	-1.0	-51.30	287.90	-3.11	-54.41
O=C(Cn1ncnn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078643	0	29	-1.0	-56.53	285.32	-4.18	-60.71
C=CC(C)(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078644	0	37	-1.0	-47.89	316.85	-1.06	-48.95
O=C(Cn1nccn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078645	0	30	-1.0	-55.94	290.61	-4.56	-60.50
C=CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078646	0	34	-1.0	-49.63	310.81	-1.23	-50.86
CCC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078647	0	36	-1.0	-48.87	307.66	-1.60	-50.47
NC(=O)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078648	0	32	-1.0	-50.61	302.56	-6.03	-56.64
NC(=O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078649	0	25	-1.0	-49.13	250.34	-8.01	-57.14
Cc1nocc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078650	0	30	-1.0	-51.48	287.82	-2.99	-54.47
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC=CC1	REAL250005078651	0	35	-1.0	-49.16	308.95	-1.02	-50.18
CC1CC1CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078652	0	34	-1.0	-49.53	307.31	-1.12	-50.65
C=CC(C)(CC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078653	0	37	-1.0	-48.64	316.31	-0.54	-49.18
CCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078654	0	34	-1.0	-49.17	307.18	-1.36	-50.53
CC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078655	0	33	-1.0	-48.81	293.43	-2.10	-50.91
O=C(Cc1nc[nH]n1)NCCNC(=O)c1nsnc1[O-]	REAL250005078656	0	30	-1.0	-56.95	289.62	-3.50	-60.45
C=C(C)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078657	0	34	-1.0	-48.93	310.92	-1.34	-50.27
O=C(NCCNC(=O)c1nsnc1[O-])c1ccns1	REAL250005078658	0	27	-1.0	-49.01	277.61	-3.39	-52.40
CC(F)(F)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078659	0	30	-1.0	-54.54	286.90	-2.38	-56.92
CCCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078660	0	37	-1.0	-49.08	328.67	-0.58	-49.66
CCC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078661	0	37	-1.0	-49.10	329.80	-0.35	-49.45
CC(C)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078662	0	37	-1.0	-48.97	320.85	-1.00	-49.97
C=C1CC(C)(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078663	0	35	-1.0	-48.48	312.99	-1.00	-49.48
O=C(NCCNC(=O)C1(CF)CC1)c1nsnc1[O-]	REAL250005078664	0	31	-1.0	-51.82	293.14	-1.91	-53.73
O=C(NCCNC(=O)C1CC2(CC2)C1)c1nsnc1[O-]	REAL250005078665	0	35	-1.0	-48.82	314.09	-0.67	-49.49
CC(C)C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078666	0	36	-1.0	-48.39	308.57	-1.46	-49.85
CC1CCC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078667	0	37	-1.0	-48.89	318.66	-0.84	-49.73
C#CCOCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078668	0	33	-1.0	-50.59	316.31	-2.75	-53.34
C#CCOC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078669	0	33	-1.0	-54.28	315.15	-1.77	-56.05
O=C(NCCNC(=O)C1(C2CC2)CC1)c1nsnc1[O-]	REAL250005078670	0	35	-1.0	-48.87	307.19	-0.37	-49.24
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078671	0	32	-1.0	-57.55	300.88	-5.98	-63.53
CC[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078672	0	34	-1.0	-49.14	308.29	-1.13	-50.27
O=C(Cn1cncn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078673	0	30	-1.0	-58.77	289.97	-1.49	-60.26
O=C(NCCNC(=O)c1nsnc1[O-])c1ccsn1	REAL250005078674	0	27	-1.0	-50.19	276.87	-3.56	-53.75
CC(C(=O)NCCNC(=O)c1nsnc1[O-])C1CCC1	REAL250005078675	0	37	-1.0	-48.76	320.85	-0.67	-49.43
O=C(NCCNC(=O)C1CC12CC2)c1nsnc1[O-]	REAL250005078676	0	32	-1.0	-49.54	297.96	-1.10	-50.64
O=C(Cc1cnc[nH]1)NCCNC(=O)c1nsnc1[O-]	REAL250005078677	0	31	-1.0	-55.60	294.38	-2.87	-58.47
C=CCC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078678	0	37	-1.0	-48.67	322.59	-1.01	-49.68
O=C(NCCNC(=O)C1CC12CCC2)c1nsnc1[O-]	REAL250005078679	0	35	-1.0	-49.11	312.83	-0.63	-49.74
Cc1c[nH]cc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078680	0	32	-1.0	-53.98	296.36	-2.49	-56.47
Cn1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078681	0	31	-1.0	-53.45	296.01	-3.24	-56.69
Cn1cncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078682	0	31	-1.0	-51.76	290.56	-1.91	-53.67
O=C(NCCNC(=O)[C@@H]1C[C@H]1C1CC1)c1nsnc1[O-]	REAL250005078683	0	35	-1.0	-49.19	319.08	-0.32	-49.51
O=C(NCCNC(=O)[C@H]1CCCO1)c1nsnc1[O-]	REAL250005078684	0	32	-1.0	-52.41	291.24	-2.82	-55.23
O=C(CCC(F)F)NCCNC(=O)c1nsnc1[O-]	REAL250005078685	0	30	-1.0	-51.44	289.16	-2.30	-53.74
O=C(NCCNC(=O)c1nsnc1[O-])c1cc(F)c[nH]1	REAL250005078686	0	29	-1.0	-51.74	283.95	-3.17	-54.91
CC1(CC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078687	0	34	-1.0	-49.10	305.93	-1.31	-50.41
O=C(NCCNC(=O)[C@]12C[C@H]1COC2)c1nsnc1[O-]	REAL250005078688	0	33	-1.0	-50.68	301.42	-3.34	-54.02
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078689	0	31	-1.0	-49.01	283.27	-1.96	-50.97
O=C(NCCNC(=O)c1nsnc1[O-])c1cc[nH]c1	REAL250005078690	0	29	-1.0	-54.41	277.63	-3.16	-57.57
CC(CC(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078691	0	37	-1.0	-48.65	322.89	-0.52	-49.17
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCCC1	REAL250005078692	0	37	-1.0	-48.86	316.33	-0.92	-49.78
O=C(NCCNC(=O)c1nsnc1[O-])c1cnco1	REAL250005078693	0	27	-1.0	-50.66	269.40	-6.33	-56.99
Cc1[nH]ncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078694	0	31	-1.0	-50.86	290.51	-4.01	-54.87
Cc1n[nH]nc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078695	0	30	-1.0	-48.89	286.50	-5.41	-54.30
C=C(C)C(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078696	0	37	-1.0	-48.75	318.94	-1.19	-49.94
O=C(NCCNC(=O)C1CCNC1=O)c1nsnc1[O-]	REAL250005078697	0	32	-1.0	-54.08	294.18	-5.60	-59.68
C=CC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078698	0	34	-1.0	-48.97	302.19	-1.70	-50.67
CN1CCC[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078699	0	36	-1.0	-50.37	315.86	-3.96	-54.33
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078700	0	31	-1.0	-49.18	286.89	-1.89	-51.07
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078701	0	34	-1.0	-49.00	298.92	-1.53	-50.53
CCC(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078702	0	30	-1.0	-49.61	282.77	-2.53	-52.14
O=C(CCCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078703	0	30	-1.0	-51.76	283.09	-2.43	-54.19
Cc1cocc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078704	0	31	-1.0	-52.01	292.63	-2.37	-54.38
C[C@H]1C[C@@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078705	0	31	-1.0	-49.19	286.90	-1.89	-51.08
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])C=CCC1	REAL250005078706	0	35	-1.0	-48.74	309.27	-1.02	-49.76
Cn1nnc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078707	0	29	-1.0	-52.54	285.85	-5.33	-57.87
Cc1[nH]cnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078708	0	31	-1.0	-53.55	291.24	-2.92	-56.47
CC(C)C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078709	0	33	-1.0	-48.99	297.28	-1.94	-50.93
C=CC(C)C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078710	0	37	-1.0	-48.23	323.07	-0.89	-49.12
CCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078711	0	37	-1.0	-49.02	318.96	-1.05	-50.07
CC#CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078712	0	35	-1.0	-52.64	325.60	-0.31	-52.95
O=C(NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nsnc1[O-]	REAL250005078713	0	33	-1.0	-49.03	301.27	-3.18	-52.21
O=C(CCCC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078714	0	37	-1.0	-49.54	329.61	-0.22	-49.76
CC1(C)CCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078715	0	37	-1.0	-48.84	318.56	-1.10	-49.94
Cc1coc(C(=O)NCCNC(=O)c2nsnc2[O-])c1	REAL250005078716	0	31	-1.0	-49.97	296.51	-2.33	-52.30
C=CC(CC)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078717	0	37	-1.0	-49.15	326.54	-0.76	-49.91
CC(C)(C(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078718	0	37	-1.0	-49.20	316.58	-0.86	-50.06
O=C(NCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nsnc1[O-]	REAL250005078719	0	35	-1.0	-48.87	309.43	-0.72	-49.59
O=C(Cc1cnoc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078720	0	30	-1.0	-53.82	289.99	-2.96	-56.78
O=C(NCCNC(=O)c1nsnc1[O-])c1c[nH]nn1	REAL250005078721	0	27	-1.0	-52.31	268.45	-6.03	-58.34
NC(=O)C=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078722	0	29	-1.0	-52.34	284.96	-6.69	-59.03
Nc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])n[nH]1	REAL250005078723	0	29	-1.0	-54.37	284.02	-4.38	-58.75
COC(=O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078724	0	30	-1.0	-56.50	286.94	-2.36	-58.86
CSC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078725	0	29	-1.0	-49.20	290.62	-2.42	-51.62
NC(=O)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078726	0	31	-1.0	-52.11	292.68	-6.50	-58.61
C=CCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078727	0	35	-1.0	-49.26	320.57	-0.77	-50.03
O=C(COC(F)F)NCCNC(=O)c1nsnc1[O-]	REAL250005078728	0	28	-1.0	-51.70	279.32	-3.62	-55.32
CC1=NOC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078729	0	32	-1.0	-56.55	300.37	-2.68	-59.23
O=C(NCCNC(=O)c1nsnc1[O-])C(=O)NC1CC1	REAL250005078730	0	32	-1.0	-48.71	303.88	-4.80	-53.51
Nc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])[nH]n1	REAL250005078731	0	30	-1.0	-50.41	288.33	-5.83	-56.24
O=C(NCCNC(=O)C1CCO1)c1nsnc1[O-]	REAL250005078732	0	29	-1.0	-51.80	272.52	-3.78	-55.58
CC(C)(CC#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078733	0	34	-1.0	-49.60	310.46	-1.92	-51.52
O=C(NCCNC(=O)C1(Cl)CC1)c1nsnc1[O-]	REAL250005078734	0	28	-1.0	-47.55	280.77	-2.02	-49.57
O=C(NCCNC(=O)C1=CCCO1)c1nsnc1[O-]	REAL250005078735	0	30	-1.0	-49.23	283.10	-3.45	-52.68
CC(C)=CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078736	0	37	-1.0	-49.06	328.29	-0.59	-49.65
O=C(NCCNC(=O)C1COC1)c1nsnc1[O-]	REAL250005078737	0	29	-1.0	-49.71	272.35	-4.83	-54.54
Nc1c[nH]nc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078738	0	30	-1.0	-51.76	285.59	-6.53	-58.29
O=C(C=CCO)NCCNC(=O)c1nsnc1[O-]	REAL250005078739	0	29	-1.0	-52.51	279.67	-6.09	-58.60
Cc1nc(C(=O)NCCNC(=O)c2nsnc2[O-])n[nH]1	REAL250005078740	0	30	-1.0	-55.28	289.99	-4.06	-59.34
O=C(NCCNC(=O)c1nsnc1[O-])c1coc(=O)[nH]1	REAL250005078741	0	28	-1.0	-54.11	278.14	-5.96	-60.07
CC=CC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078742	0	32	-1.0	-49.31	300.71	-4.06	-53.37
C[C@@H](C(=O)NCCNC(=O)c1nsnc1[O-])N(C)C	REAL250005078743	0	35	-1.0	-49.53	302.66	-4.63	-54.16
CCC=C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078744	0	31	-1.0	-47.42	293.84	-1.92	-49.34
CCC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078745	0	31	-1.0	-49.35	289.66	-1.96	-51.31
O=C(NCCNC(=O)C1CNC(=O)C1)c1nsnc1[O-]	REAL250005078746	0	32	-1.0	-54.40	295.53	-5.76	-60.16
Nc1nonc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078747	0	28	-1.0	-47.20	277.44	-5.32	-52.52
O=C(NCCNC(=O)c1nsnc1[O-])c1cncs1	REAL250005078748	0	27	-1.0	-50.07	277.55	-3.88	-53.95
[N-]=[N+]=NCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078749	0	29	-1.0	-48.64	285.13	-6.72	-55.36
C#CCOCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078750	0	30	-1.0	-54.88	295.36	-2.48	-57.36
O=C(Cc1nnco1)NCCNC(=O)c1nsnc1[O-]	REAL250005078751	0	29	-1.0	-57.87	285.13	-8.18	-66.05
CC(O)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078752	0	34	-1.0	-49.62	308.30	-5.07	-54.69
O=C(Cn1cccc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078753	0	32	-1.0	-53.06	301.17	-1.00	-54.06
C#CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078754	0	29	-1.0	-49.48	282.28	-2.05	-51.53
CC(=CC(=O)NCCNC(=O)c1nsnc1[O-])C(C)C	REAL250005078755	0	37	-1.0	-48.43	322.97	-0.77	-49.20
CC=CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078756	0	32	-1.0	-49.56	303.74	-1.29	-50.85
Cn1ncnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078757	0	30	-1.0	-49.11	286.45	-2.60	-51.71
O=C(NCCNC(=O)[C@@H]1CC=CCC1)c1nsnc1[O-]	REAL250005078758	0	35	-1.0	-48.57	308.53	-0.88	-49.45
COCC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078759	0	32	-1.0	-51.20	301.93	-3.68	-54.88
O=C(NCCNC(=O)C1CC2CC2C1)c1nsnc1[O-]	REAL250005078760	0	35	-1.0	-48.59	307.42	-0.79	-49.38
CC1CN(CC(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078761	0	36	-1.0	-51.33	318.48	-4.41	-55.74
CCC(C)(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078762	0	34	-1.0	-48.10	302.30	-5.21	-53.31
C#CCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078763	0	32	-1.0	-48.96	300.14	-1.48	-50.44
C=CC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078764	0	29	-1.0	-49.55	279.00	-4.92	-54.47
[N-]=[N+]=NCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078765	0	32	-1.0	-51.85	306.63	-5.92	-57.77
O=C(NCCNC(=O)C12CC1CC2)c1nsnc1[O-]	REAL250005078766	0	32	-1.0	-49.35	293.96	-1.36	-50.71
CCCC(C)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078767	0	37	-1.0	-48.40	327.65	-0.49	-48.89
C=C[C@H](C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078768	0	34	-1.0	-48.79	306.01	-1.45	-50.24
O=C(C=CC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078769	0	32	-1.0	-49.32	300.55	-1.15	-50.47
Cc1oncc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078770	0	30	-1.0	-49.37	287.33	-2.79	-52.16
CC1CC1(C#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078771	0	32	-1.0	-50.05	304.77	-1.73	-51.78
CCC(C#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078772	0	31	-1.0	-51.19	294.61	-2.39	-53.58
O=C(NCCNC(=O)C1C2CCC21)c1nsnc1[O-]	REAL250005078773	0	32	-1.0	-49.30	288.21	-1.23	-50.53
C=C1CCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078774	0	32	-1.0	-48.47	294.55	-1.58	-50.05
C[C@H]1C(C(=O)NCCNC(=O)c2nsnc2[O-])[C@H]1C	REAL250005078775	0	34	-1.0	-49.10	303.38	-1.34	-50.44
CCN(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078776	0	35	-1.0	-49.62	306.47	-4.21	-53.83
O=C(NCCNC(=O)C1CC2(C1)N=N2)c1nsnc1[O-]	REAL250005078777	0	31	-1.0	-49.29	294.60	-7.07	-56.36
CC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078778	0	28	-1.0	-49.90	265.79	-5.47	-55.37
CC(=O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078779	0	26	-1.0	-48.16	257.26	-4.20	-52.36
Nc1n[nH]cc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078780	0	30	-1.0	-53.22	284.41	-5.54	-58.76
O=C(NCCNC(=O)C1=NNC(=O)C1)c1nsnc1[O-]	REAL250005078781	0	29	-1.0	-49.72	284.82	-6.31	-56.03
Cc1cc(C(=O)NCCNC(=O)c2nsnc2[O-])c[nH]1	REAL250005078782	0	32	-1.0	-54.13	299.54	-2.60	-56.73
CC1=C(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078783	0	35	-1.0	-49.01	310.07	-0.76	-49.77
N#CCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078784	0	31	-1.0	-57.21	297.35	-2.05	-59.26
N#CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078785	0	29	-1.0	-50.43	284.78	-2.32	-52.75
C=C1CC(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078786	0	32	-1.0	-48.82	295.24	-1.55	-50.37
O=C(NCCNC(=O)[C@]12C[C@H]1[C@H](O)C2)c1nsnc1[O-]	REAL250005078787	0	33	-1.0	-53.06	305.36	-4.76	-57.82
O=C(NCCNC(=O)C12CC(C1)CO2)c1nsnc1[O-]	REAL250005078788	0	33	-1.0	-49.28	298.60	-3.35	-52.63
CCC=CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078789	0	35	-1.0	-49.38	324.83	-0.53	-49.91
O=C(NCCNC(=O)c1nsnc1[O-])c1nc(=O)[nH][nH]1	REAL250005078790	0	28	-1.0	-54.87	278.85	-7.80	-62.67
O=C(NCCNC(=O)C1(F)CC1)c1nsnc1[O-]	REAL250005078791	0	28	-1.0	-47.81	271.58	-2.50	-50.31
Cc1ncc(C(=O)NCCNC(=O)c2nsnc2[O-])o1	REAL250005078792	0	30	-1.0	-49.91	291.39	-5.57	-55.48
COC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078793	0	34	-1.0	-51.89	299.45	-2.78	-54.67
CC(CC#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078794	0	31	-1.0	-50.50	293.72	-2.29	-52.79
CCC1CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078795	0	34	-1.0	-48.80	302.83	-1.11	-49.91
O=C(NCCNC(=O)C12CC(C1)OC2)c1nsnc1[O-]	REAL250005078796	0	33	-1.0	-49.38	299.37	-3.57	-52.95
C[C@@H]1C[C@@]2(C(=O)NCCNC(=O)c3nsnc3[O-])C[C@@H]12	REAL250005078797	0	35	-1.0	-49.35	314.94	-0.72	-50.07
O=C(Cn1cncn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078798	0	30	-1.0	-58.77	289.97	-1.49	-60.26
C=CC(C)(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078799	0	32	-1.0	-48.37	295.66	-5.16	-53.53
CN(C)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078800	0	36	-1.0	-48.21	317.38	-3.72	-51.93
CCCC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078801	0	34	-1.0	-49.22	311.16	-1.19	-50.41
CC=C(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078802	0	28	-1.0	-47.67	273.54	-2.66	-50.33
C[C@H](C(=O)NCCNC(=O)c1nsnc1[O-])N(C)C	REAL250005078803	0	35	-1.0	-49.41	302.34	-4.65	-54.06
CCOC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078804	0	32	-1.0	-49.59	301.64	-3.10	-52.69
CCN1CCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078805	0	36	-1.0	-51.21	318.58	-4.50	-55.71
CCC(C)=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078806	0	37	-1.0	-48.57	319.29	-0.61	-49.18
C=CCCC(=O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078807	0	33	-1.0	-47.57	312.36	-2.05	-49.62
CC(=O)OCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078808	0	30	-1.0	-52.48	291.07	-2.38	-54.86
O=C(NCCNC(=O)c1nsnc1[O-])c1c[nH]c(=O)[nH]1	REAL250005078809	0	29	-1.0	-56.39	282.02	-6.41	-62.80
O=C(NCCNC(=O)C(F)(F)CO)c1nsnc1[O-]	REAL250005078810	0	28	-1.0	-50.01	276.37	-5.10	-55.11
CC1(C#CC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078811	0	33	-1.0	-50.06	315.01	-0.63	-50.69
CC(=O)C=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078812	0	30	-1.0	-50.72	291.96	-2.83	-53.55
O=C(COC1CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078813	0	32	-1.0	-52.97	299.94	-2.23	-55.20
O=C(NCCNC(=O)c1nsnc1[O-])c1ncc[nH]1	REAL250005078814	0	28	-1.0	-51.52	273.45	-4.30	-55.82
O=C(C=CC1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078815	0	35	-1.0	-49.13	316.98	-0.62	-49.75
CC1=C(C(=O)NCCNC(=O)c2nsnc2[O-])CCO1	REAL250005078816	0	33	-1.0	-49.14	298.60	-2.68	-51.82
Cn1ccnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078817	0	31	-1.0	-51.71	291.70	-2.56	-54.27
CC(CO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078818	0	31	-1.0	-49.14	285.13	-5.95	-55.09
O=C(NCCNC(=O)c1nsnc1[O-])c1cnoc1	REAL250005078819	0	27	-1.0	-50.01	268.72	-3.62	-53.63
O=C(CCCCO)NCCNC(=O)c1nsnc1[O-]	REAL250005078820	0	34	-1.0	-50.76	309.41	-5.12	-55.88
O=C(NCCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005078821	0	30	-1.0	-47.88	288.33	-2.61	-50.49
O=C(CC1(O)CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078822	0	32	-1.0	-53.03	296.94	-5.32	-58.35
O=C(NCCNC(=O)C1CCC1F)c1nsnc1[O-]	REAL250005078823	0	31	-1.0	-49.95	288.38	-1.97	-51.92
O=C(NCCNC(=O)[C@@H]1C[C@H]1CF)c1nsnc1[O-]	REAL250005078824	0	31	-1.0	-51.26	293.54	-1.76	-53.02
CCC(CO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078825	0	34	-1.0	-49.12	302.50	-5.22	-54.34
CC(=CC1CC1)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078826	0	35	-1.0	-49.28	314.24	-0.52	-49.80
N#C[C@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078827	0	29	-1.0	-58.93	282.48	-2.27	-61.20
O=C(Cc1cnco1)NCCNC(=O)c1nsnc1[O-]	REAL250005078828	0	30	-1.0	-55.05	290.43	-5.50	-60.55
O=C(NCCNC(=O)c1nsnc1[O-])C1=COCC1	REAL250005078829	0	30	-1.0	-49.78	281.70	-3.49	-53.27
Cc1ccc(C(=O)NCCNC(=O)c2nsnc2[O-])[nH]1	REAL250005078830	0	32	-1.0	-50.77	299.42	-2.67	-53.44
O=C(NCCNC(=O)C1(O)CC1)c1nsnc1[O-]	REAL250005078831	0	29	-1.0	-48.81	273.83	-5.63	-54.44
O=C(NCCNC(=O)c1nsnc1[O-])C1=CCC1	REAL250005078832	0	29	-1.0	-50.08	276.00	-1.99	-52.07
CC1CC(C(=O)NCCNC(=O)c2nsnc2[O-])=NO1	REAL250005078833	0	32	-1.0	-48.84	300.12	-3.73	-52.57
CC(CF)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078834	0	30	-1.0	-48.02	280.34	-2.54	-50.56
CC(Cl)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078835	0	28	-1.0	-50.61	280.85	-2.20	-52.81
CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078836	0	28	-1.0	-49.58	268.57	-2.72	-52.30
CCC(F)(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078837	0	30	-1.0	-46.73	286.75	-2.43	-49.16
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1F	REAL250005078838	0	31	-1.0	-52.69	287.95	-1.86	-54.55
O=C(C=CCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078839	0	28	-1.0	-51.15	274.75	-2.61	-53.76
N#CCCCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078840	0	34	-1.0	-53.78	318.85	-1.27	-55.05
O=C(NCCNC(=O)C1(CO)CC1)c1nsnc1[O-]	REAL250005078841	0	32	-1.0	-52.52	297.95	-5.40	-57.92
O=C(NCCNC(=O)c1nsnc1[O-])c1ccno1	REAL250005078842	0	27	-1.0	-49.05	269.10	-3.61	-52.66
[N-]=[N+]=NCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078843	0	26	-1.0	-51.39	264.11	-7.39	-58.78
O=C(NCCNC(=O)C1CCC(=O)N1)c1nsnc1[O-]	REAL250005078844	0	32	-1.0	-55.91	297.30	-5.44	-61.35
C[C@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078845	0	28	-1.0	-49.92	265.79	-5.47	-55.39
CON=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078846	0	28	-1.0	-51.45	277.46	-4.76	-56.21
C#CCC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078847	0	35	-1.0	-48.70	316.89	-1.02	-49.72
CC(C)[C@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078848	0	34	-1.0	-48.85	300.61	-3.47	-52.32
C#CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078849	0	30	-1.0	-48.93	291.21	-1.50	-50.43
C=CC=CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078850	0	32	-1.0	-50.01	303.16	-1.37	-51.38
C#CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078851	0	33	-1.0	-48.77	307.04	-1.05	-49.82
CN1CCC[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078852	0	36	-1.0	-48.53	307.99	-4.52	-53.05
O=C(NCCNC(=O)C1CC=CCO1)c1nsnc1[O-]	REAL250005078853	0	33	-1.0	-51.67	301.07	-2.10	-53.77
CC1(C)C=C(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078854	0	35	-1.0	-49.28	317.80	-0.84	-50.12
C#C[C@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078855	0	30	-1.0	-51.99	288.38	-1.40	-53.39
[N-]=[N+]=NC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078856	0	30	-1.0	-48.16	288.73	-5.49	-53.65
O=C(NCCNC(=O)c1nsnc1[O-])c1cscn1	REAL250005078857	0	27	-1.0	-51.03	277.63	-4.03	-55.06
CC=C(CC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078858	0	34	-1.0	-49.16	304.35	-1.34	-50.50
O=C(CC12CC(C1)C2)NCCNC(=O)c1nsnc1[O-]	REAL250005078859	0	35	-1.0	-49.92	308.60	-0.62	-50.54
COC(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078860	0	28	-1.0	-51.89	273.62	-4.49	-56.38
N#CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078861	0	32	-1.0	-49.97	300.40	-1.90	-51.87
O=C(C=C1CCCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078862	0	35	-1.0	-49.22	309.71	-0.73	-49.95
CC(C)(C#N)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078863	0	34	-1.0	-49.33	307.48	-1.84	-51.17
COCC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078864	0	32	-1.0	-50.21	299.14	-6.16	-56.37
O=C(NCCNC(=O)[C@@H]1CC1(F)F)c1nsnc1[O-]	REAL250005078865	0	28	-1.0	-50.50	278.51	-2.40	-52.90
N#C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078866	0	29	-1.0	-51.28	286.51	-2.14	-53.42
C=C(C)CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078867	0	37	-1.0	-49.78	332.42	-0.56	-50.34
O=C(NCCNC(=O)[C@H]1C[C@@H](O)C1)c1nsnc1[O-]	REAL250005078868	0	32	-1.0	-52.58	293.17	-5.48	-58.06
CC1(C)CC1CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078869	0	37	-1.0	-49.39	325.95	-0.65	-50.04
O=C(NCCNC(=O)c1nsnc1[O-])c1c[nH]c(=O)o1	REAL250005078870	0	28	-1.0	-53.71	279.30	-5.75	-59.46
CC(C)[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078871	0	37	-1.0	-49.07	327.36	-0.58	-49.65
O=C(COCCO)NCCNC(=O)c1nsnc1[O-]	REAL250005078872	0	32	-1.0	-55.48	300.95	-6.14	-61.62
CC(C)(CF)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078873	0	33	-1.0	-47.59	298.43	-2.01	-49.60
CC(C)(CO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078874	0	34	-1.0	-48.89	302.78	-5.30	-54.19
C=CCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078875	0	34	-1.0	-48.70	307.17	-1.42	-50.12
CC1CCCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078876	0	37	-1.0	-48.87	318.77	-0.82	-49.69
O=C(NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)c1nsnc1[O-]	REAL250005078877	0	35	-1.0	-49.11	304.06	-0.90	-50.01
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078878	0	31	-1.0	-49.18	286.89	-1.89	-51.07
CC(C)(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078879	0	31	-1.0	-52.93	284.54	-4.77	-57.70
O=C(NCCNC(=O)C1=NOCC1)c1nsnc1[O-]	REAL250005078880	0	29	-1.0	-49.12	279.03	-4.49	-53.61
CC(C#N)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078881	0	31	-1.0	-50.46	292.54	-2.30	-52.76
CN(CC(=O)NCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005078882	0	36	-1.0	-49.79	313.87	-3.61	-53.40
CC(CCO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078883	0	34	-1.0	-52.35	304.09	-5.38	-57.73
O=C(NCCNC(=O)[C@H](O)CF)c1nsnc1[O-]	REAL250005078884	0	28	-1.0	-50.56	272.10	-5.31	-55.87
O=C(NCCNC(=O)C1(O)CCC1)c1nsnc1[O-]	REAL250005078885	0	32	-1.0	-48.91	288.28	-5.13	-54.04
O=C(NCCNC(=O)C(O)C1CC1)c1nsnc1[O-]	REAL250005078886	0	32	-1.0	-49.09	294.08	-3.67	-52.76
O=C(Cn1cnnc1)NCCNC(=O)c1nsnc1[O-]	REAL250005078887	0	30	-1.0	-59.98	290.49	-0.57	-60.55
C=C(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078888	0	31	-1.0	-49.25	289.55	-2.13	-51.38
CC(C)(C#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078889	0	31	-1.0	-53.83	292.82	-2.53	-56.36
CCSCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078890	0	31	-1.0	-51.30	299.53	-2.01	-53.31
CC(C)=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078891	0	34	-1.0	-48.83	298.38	-1.33	-50.16
CC1(CCC(=O)NCCNC(=O)c2nsnc2[O-])N=N1	REAL250005078892	0	33	-1.0	-48.49	308.66	-6.70	-55.19
O=C(NCCNC(=O)c1nsnc1[O-])c1cc(O)no1	REAL250005078893	0	28	-1.0	-49.81	280.21	-7.99	-57.80
C[C@@H]1C[C@]2(C(=O)NCCNC(=O)c3nsnc3[O-])C[C@H]12	REAL250005078894	0	35	-1.0	-49.05	313.63	-0.76	-49.81
CNC(=O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078895	0	31	-1.0	-60.24	291.09	-4.29	-64.53
Cn1cnnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078896	0	30	-1.0	-53.39	286.84	-1.94	-55.33
O=C(NCCNC(=O)C1CC(F)C1)c1nsnc1[O-]	REAL250005078897	0	31	-1.0	-51.35	288.37	-1.96	-53.31
O=C(CC1CC(=O)N1)NCCNC(=O)c1nsnc1[O-]	REAL250005078898	0	32	-1.0	-55.20	300.35	-6.02	-61.22
CN1CC(CC(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078899	0	36	-1.0	-50.43	317.79	-4.98	-55.41
C=CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078900	0	28	-1.0	-49.54	267.91	-2.79	-52.33
CN(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078901	0	32	-1.0	-49.78	288.50	-5.00	-54.78
N#CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078902	0	25	-1.0	-57.28	254.46	-3.66	-60.94
O=C(NCCNC(=O)C1CC1F)c1nsnc1[O-]	REAL250005078903	0	28	-1.0	-48.22	272.31	-2.47	-50.69
C[C@@H](C(=O)NCCNC(=O)c1nsnc1[O-])N(C)C	REAL250005078904	0	35	-1.0	-49.53	302.66	-4.63	-54.16
O=C(CCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078905	0	27	-1.0	-48.71	261.59	-3.19	-51.90
O=C(NCCNC(=O)C1C=CCC1)c1nsnc1[O-]	REAL250005078906	0	32	-1.0	-48.76	290.56	-1.54	-50.30
C#CC(C)(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078907	0	32	-1.0	-50.90	299.25	-1.66	-52.56
CC1CCN1CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078908	0	36	-1.0	-50.25	311.92	-4.79	-55.04
CN(C)CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078909	0	36	-1.0	-49.93	324.06	-3.90	-53.83
CO[C@H](C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078910	0	31	-1.0	-51.79	287.50	-3.27	-55.06
CC(=O)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078911	0	32	-1.0	-50.55	299.70	-2.66	-53.21
C[C@@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078912	0	28	-1.0	-49.90	265.80	-5.46	-55.36
O=C(CN1CCC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078913	0	33	-1.0	-50.71	296.36	-5.42	-56.13
CC(O)C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078914	0	34	-1.0	-51.92	299.32	-4.24	-56.16
CCC(C)(C#N)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078915	0	34	-1.0	-50.23	309.58	-2.05	-52.28
C=C1CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078916	0	29	-1.0	-49.34	279.08	-1.99	-51.33
O=C(CC1CC=CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078917	0	35	-1.0	-49.69	311.04	-0.82	-50.51
COC(OC)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078918	0	32	-1.0	-51.23	293.13	-4.29	-55.52
N#CC1(CC(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078919	0	32	-1.0	-58.68	302.98	-1.72	-60.40
O=C(NCCNC(=O)C1=CCCOC1)c1nsnc1[O-]	REAL250005078920	0	33	-1.0	-50.04	297.72	-3.20	-53.24
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])COC1	REAL250005078921	0	32	-1.0	-51.48	290.45	-4.25	-55.73
O=C(NCCNC(=O)C1=CCCCO1)c1nsnc1[O-]	REAL250005078922	0	33	-1.0	-49.14	299.39	-2.63	-51.77
O=C(NCCNC(=O)C1CC(=O)N1)c1nsnc1[O-]	REAL250005078923	0	29	-1.0	-55.46	279.86	-6.87	-62.33
O=C(NCCNC(=O)[C@@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005078924	0	29	-1.0	-55.78	279.94	-6.65	-62.43
O=C(NCCNC(=O)C1=CCCCC1)c1nsnc1[O-]	REAL250005078925	0	35	-1.0	-49.00	306.40	-0.81	-49.81
CCC[C@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078926	0	34	-1.0	-49.25	307.78	-3.86	-53.11
CC1CC(C)(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078927	0	37	-1.0	-48.85	314.96	-1.07	-49.92
CC(C(=O)NCCNC(=O)c1nsnc1[O-])N1CCC1	REAL250005078928	0	36	-1.0	-50.17	314.72	-4.48	-54.65
O=C(NCCNC(=O)[C@H]1CC1(F)F)c1nsnc1[O-]	REAL250005078929	0	28	-1.0	-50.48	278.51	-2.40	-52.88
O=C(Cc1cn[nH]c1)NCCNC(=O)c1nsnc1[O-]	REAL250005078930	0	31	-1.0	-53.86	294.86	-3.87	-57.73
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC(=O)C1	REAL250005078931	0	33	-1.0	-50.20	302.35	-2.41	-52.61
O=C(Cc1cc[nH]c1)NCCNC(=O)c1nsnc1[O-]	REAL250005078932	0	32	-1.0	-52.32	299.72	-2.45	-54.77
O=C(CC1CC(=O)C1)NCCNC(=O)c1nsnc1[O-]	REAL250005078933	0	33	-1.0	-54.12	305.64	-2.19	-56.31
O=C(NCCNC(=O)C1(F)CCC1)c1nsnc1[O-]	REAL250005078934	0	31	-1.0	-47.75	288.10	-2.02	-49.77
O=C(NCCNC(=O)c1nsnc1[O-])c1cnc[nH]1	REAL250005078935	0	28	-1.0	-52.54	272.32	-3.50	-56.04
Cc1noc(C(=O)NCCNC(=O)c2nsnc2[O-])n1	REAL250005078936	0	29	-1.0	-49.73	285.93	-5.56	-55.29
O=C(NCCNC(=O)C1CC(=O)C1)c1nsnc1[O-]	REAL250005078937	0	30	-1.0	-51.10	284.46	-2.98	-54.08
O=C(Cn1ccnn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078938	0	30	-1.0	-61.10	289.08	-4.21	-65.31
C=CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078939	0	35	-1.0	-48.68	308.97	-0.53	-49.21
O=C(NCCNC(=O)C1(O)COC1)c1nsnc1[O-]	REAL250005078940	0	30	-1.0	-49.91	280.59	-7.35	-57.26
CC(C(=O)NCCNC(=O)c1nsnc1[O-])=C1CC1	REAL250005078941	0	32	-1.0	-49.98	297.78	-1.10	-51.08
CC1=CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078942	0	29	-1.0	-50.03	280.56	-1.87	-51.90
CN(C)C(=O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078943	0	31	-1.0	-49.29	287.73	-4.51	-53.80
CC(=O)C1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078944	0	33	-1.0	-49.43	311.28	-2.20	-51.63
CCCC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078945	0	34	-1.0	-49.24	307.78	-3.86	-53.10
CCC(O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078946	0	34	-1.0	-52.49	307.17	-4.18	-56.67
O=C(CCCCF)NCCNC(=O)c1nsnc1[O-]	REAL250005078947	0	33	-1.0	-49.84	304.58	-1.65	-51.49
O=C(NCCNC(=O)c1nsnc1[O-])c1cnsc1	REAL250005078948	0	27	-1.0	-49.92	276.29	-3.39	-53.31
O=C(NCCNC(=O)C1CCC(=O)C1)c1nsnc1[O-]	REAL250005078949	0	33	-1.0	-51.30	302.01	-2.36	-53.66
O=C(NCCNC(=O)[C@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005078950	0	29	-1.0	-56.22	279.46	-6.99	-63.21
O=C(Cn1cncn1)NCCNC(=O)c1nsnc1[O-]	REAL250005078951	0	30	-1.0	-58.77	289.97	-1.49	-60.26
COC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078952	0	32	-1.0	-48.09	296.13	-3.50	-51.59
O=C(NCCNC(=O)C1CSC1)c1nsnc1[O-]	REAL250005078953	0	29	-1.0	-49.08	281.60	-2.41	-51.49
Nc1ncc(C(=O)NCCNC(=O)c2nsnc2[O-])o1	REAL250005078954	0	29	-1.0	-50.61	284.55	-8.25	-58.86
O=C(NCCNC(=O)C1CCC=CO1)c1nsnc1[O-]	REAL250005078955	0	33	-1.0	-51.25	300.59	-1.68	-52.93
CCC(CO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078956	0	34	-1.0	-49.12	302.50	-5.22	-54.34
CC(CO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078957	0	31	-1.0	-49.14	285.13	-5.95	-55.09
O=C(NCCNC(=O)c1nsnc1[O-])c1cnoc1	REAL250005078958	0	27	-1.0	-50.01	268.72	-3.62	-53.63
O=C(NCCNC(=O)[C@@H]1C[C@H]1CF)c1nsnc1[O-]	REAL250005078959	0	31	-1.0	-51.26	293.54	-1.76	-53.02
C#CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078960	0	30	-1.0	-48.93	291.21	-1.50	-50.43
O=C(NCCNC(=O)c1nsnc1[O-])C1=COCC1	REAL250005078961	0	30	-1.0	-49.78	281.70	-3.49	-53.27
C[C@H](O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078962	0	28	-1.0	-49.92	265.79	-5.47	-55.39
O=C(NCCNC(=O)C1C=CCC1)c1nsnc1[O-]	REAL250005078963	0	32	-1.0	-48.76	290.56	-1.54	-50.30
CC(O)C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078964	0	34	-1.0	-51.92	299.32	-4.24	-56.16
C=C1CC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078965	0	29	-1.0	-49.34	279.08	-1.99	-51.33
O=C(CC1CC=CC1)NCCNC(=O)c1nsnc1[O-]	REAL250005078966	0	35	-1.0	-49.69	311.04	-0.82	-50.51
CC(CF)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078967	0	30	-1.0	-48.02	280.34	-2.54	-50.56
CC1(C)C=C(C(=O)NCCNC(=O)c2nsnc2[O-])C1	REAL250005078968	0	35	-1.0	-49.28	317.80	-0.84	-50.12
O=C(NCCNC(=O)[C@@H]1CC1(F)F)c1nsnc1[O-]	REAL250005078969	0	28	-1.0	-50.50	278.51	-2.40	-52.90
O=C(NCCNC(=O)c1nsnc1[O-])c1c[nH]c(=O)[nH]1	REAL250005078970	0	29	-1.0	-56.39	282.02	-6.41	-62.80
CC1CCCC1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078971	0	37	-1.0	-48.87	318.77	-0.82	-49.69
C=C(C)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078972	0	31	-1.0	-49.25	289.55	-2.13	-51.38
CCSCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078973	0	31	-1.0	-51.30	299.53	-2.01	-53.31
CC(C)=C(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078974	0	34	-1.0	-48.83	298.38	-1.33	-50.16
CCCC(O)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078975	0	34	-1.0	-49.24	307.78	-3.86	-53.10
CCC(O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078976	0	34	-1.0	-52.49	307.17	-4.18	-56.67
CC(Cl)=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078977	0	28	-1.0	-50.61	280.85	-2.20	-52.81
CC=CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078978	0	28	-1.0	-49.58	268.57	-2.72	-52.30
CCC(F)(F)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078979	0	30	-1.0	-46.73	286.75	-2.43	-49.16
CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1F	REAL250005078980	0	31	-1.0	-52.69	287.95	-1.86	-54.55
O=C(NCCNC(=O)[C@H]1C[C@@H](O)C1)c1nsnc1[O-]	REAL250005078981	0	32	-1.0	-52.58	293.17	-5.48	-58.06
CC1(C)CC1CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078982	0	37	-1.0	-49.39	325.95	-0.65	-50.04
C=C(C)CCCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078983	0	37	-1.0	-49.78	332.42	-0.56	-50.34
C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078984	0	31	-1.0	-49.18	286.89	-1.89	-51.07
O=C(NCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)c1nsnc1[O-]	REAL250005078985	0	35	-1.0	-49.11	304.06	-0.90	-50.01
C[C@@H]1C[C@]2(C(=O)NCCNC(=O)c3nsnc3[O-])C[C@H]12	REAL250005078986	0	35	-1.0	-49.05	313.63	-0.76	-49.81
CNC(=O)CC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078987	0	31	-1.0	-60.24	291.09	-4.29	-64.53
C=CC=CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078988	0	32	-1.0	-50.01	303.16	-1.37	-51.38
C#CC1(C(=O)NCCNC(=O)c2nsnc2[O-])CCC1	REAL250005078989	0	33	-1.0	-48.77	307.04	-1.05	-49.82
CN1CCC[C@H]1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078990	0	36	-1.0	-48.53	307.99	-4.52	-53.05
O=C(NCCNC(=O)C1CC=CCO1)c1nsnc1[O-]	REAL250005078991	0	33	-1.0	-51.67	301.07	-2.10	-53.77
O=C(NCCNC(=O)c1nsnc1[O-])c1cscn1	REAL250005078992	0	27	-1.0	-51.03	277.63	-4.03	-55.06
NC(=O)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078993	0	31	-1.0	-52.11	292.68	-6.50	-58.61
C=CCC1(C(=O)NCCNC(=O)c2nsnc2[O-])CC1	REAL250005078994	0	35	-1.0	-49.26	320.57	-0.77	-50.03
O=C(COC(F)F)NCCNC(=O)c1nsnc1[O-]	REAL250005078995	0	28	-1.0	-51.70	279.32	-3.62	-55.32
CC(O)CCC(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078996	0	34	-1.0	-49.62	308.30	-5.07	-54.69
C#CCC(C)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078997	0	32	-1.0	-48.96	300.14	-1.48	-50.44
CC(CCO)C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005078998	0	34	-1.0	-52.35	304.09	-5.38	-57.73
O=C(NCCNC(=O)[C@H](O)CF)c1nsnc1[O-]	REAL250005078999	0	28	-1.0	-50.56	272.10	-5.31	-55.87
Cn1cnnc1C(=O)NCCNC(=O)c1nsnc1[O-]	REAL250005079000	0	30	-1.0	-53.39	286.84	-1.94	-55.33
O=C(NCCNC(=O)C1(O)CC1)c1nsnc1[O-]	REAL250005079001	0	29	-1.0	-48.81	273.83	-5.63	-54.44
O=C(NCCNC(=O)c1nsnc1[O-])c1cc(O)no1	REAL250005079002	0	28	-1.0	-49.81	280.21	-7.99	-57.80
O=C(NCCNC(=O)C1CC(=O)N1)c1nsnc1[O-]	REAL250005079003	0	29	-1.0	-55.46	279.86	-6.87	-62.33
O=C(NCCNC(=O)C1CC(F)C1)c1nsnc1[O-]	REAL250005079004	0	31	-1.0	-51.35	288.37	-1.96	-53.31
O=C(CC1CC(=O)N1)NCCNC(=O)c1nsnc1[O-]	REAL250005079005	0	32	-1.0	-55.20	300.35	-6.02	-61.22
O=C(NCCNC(=O)c1nsnc1[O-])c1ccno1	REAL250005079006	0	27	-1.0	-49.05	269.10	-3.61	-52.66
CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079007	0	30	-1.0	-53.34	276.50	-2.56	-55.90
COCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079008	0	34	-1.0	-52.75	310.17	-3.49	-56.24
O=C(NCCCNC(=O)C1CC1)c1nsnc1[O-]	REAL250005079009	0	31	-1.0	-53.11	287.01	-1.79	-54.90
O=C(NCCCNC(=O)C1CCC1)c1nsnc1[O-]	REAL250005079010	0	34	-1.0	-53.00	303.21	-1.29	-54.29
O=C(NCCCNC(=O)C1CCCC1)c1nsnc1[O-]	REAL250005079011	0	37	-1.0	-52.90	319.53	-0.67	-53.57
O=C(CC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079012	0	34	-1.0	-53.46	307.43	-1.02	-54.48
CC(C)(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079013	0	33	-1.0	-51.47	302.17	-1.84	-53.31
CC(F)(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079014	0	30	-1.0	-49.56	288.35	-2.37	-51.93
COCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079015	0	31	-1.0	-56.50	289.22	-3.19	-59.69
CCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079016	0	33	-1.0	-53.14	297.99	-1.79	-54.93
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccco1	REAL250005079017	0	31	-1.0	-53.37	296.11	-2.24	-55.61
CC(C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079018	0	36	-1.0	-52.67	314.72	-1.21	-53.88
CC1CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079019	0	34	-1.0	-53.06	308.39	-1.12	-54.18
CCOCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079020	0	34	-1.0	-56.55	311.07	-2.24	-58.79
CC(C)=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079021	0	34	-1.0	-52.48	305.81	-1.25	-53.73
CSCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079022	0	31	-1.0	-55.62	299.56	-2.13	-57.75
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccc[nH]1	REAL250005079023	0	32	-1.0	-55.85	299.00	-2.46	-58.31
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccoc1	REAL250005079024	0	31	-1.0	-56.82	295.28	-2.28	-59.10
CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079025	0	36	-1.0	-53.17	319.49	-1.01	-54.18
CC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079026	0	33	-1.0	-52.92	296.04	-1.89	-54.81
CCC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079027	0	36	-1.0	-52.85	314.17	-1.24	-54.09
O=C(NCCCNC(=O)c1nsnc1[O-])c1cc[nH]n1	REAL250005079028	0	31	-1.0	-55.47	294.70	-3.81	-59.28
O=C(NCCCNC(=O)c1nsnc1[O-])c1cn[nH]c1	REAL250005079029	0	31	-1.0	-54.91	293.99	-3.82	-58.73
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccon1	REAL250005079030	0	30	-1.0	-53.75	290.59	-3.01	-56.76
CCC=C(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079031	0	37	-1.0	-53.20	325.20	-0.49	-53.69
COC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079032	0	34	-1.0	-56.22	308.20	-2.43	-58.65
C=CCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079033	0	34	-1.0	-53.07	310.81	-1.23	-54.30
O=C(NCCCNC(=O)c1nsnc1[O-])c1cocn1	REAL250005079034	0	30	-1.0	-53.85	290.90	-5.65	-59.50
O=C(CCC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079035	0	37	-1.0	-53.19	329.61	-0.23	-53.42
O=C(NCCCNC(=O)C1CC=CC1)c1nsnc1[O-]	REAL250005079036	0	35	-1.0	-52.82	312.03	-0.80	-53.62
O=C(CC1CCC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079037	0	37	-1.0	-53.36	324.41	-0.50	-53.86
CC(C(=O)NCCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005079038	0	37	-1.0	-52.63	325.99	-0.40	-53.03
CC=C(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079039	0	34	-1.0	-53.44	304.81	-1.28	-54.72
CC1CC(C(=O)NCCCNC(=O)c2nsnc2[O-])C1	REAL250005079040	0	37	-1.0	-53.18	323.65	-0.66	-53.84
O=C(C=C1CCC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079041	0	35	-1.0	-53.44	315.66	-0.56	-54.00
O=C(NCCCNC(=O)c1nsnc1[O-])C1=CCCC1	REAL250005079042	0	35	-1.0	-53.11	313.10	-0.69	-53.80
CC1(C)CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079043	0	37	-1.0	-52.30	323.62	-0.57	-52.87
CC1(C)C[C@@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079044	0	37	-1.0	-52.34	323.61	-0.57	-52.91
C#CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079045	0	35	-1.0	-55.99	325.28	-0.49	-56.48
CCC(C)=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079046	0	37	-1.0	-52.03	327.65	-0.49	-52.52
CC(C)C#CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079047	0	35	-1.0	-53.45	325.89	-0.53	-53.98
O=C(C#CC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079048	0	33	-1.0	-53.51	315.56	-0.36	-53.87
C=C(C)CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079049	0	37	-1.0	-52.66	332.42	-0.57	-53.23
CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079050	0	34	-1.0	-52.94	304.77	-1.19	-54.13
O=C(NCCCNC(=O)c1nsnc1[O-])c1c[nH]nn1	REAL250005079051	0	30	-1.0	-53.91	289.95	-5.25	-59.16
CC1(CC(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079052	0	37	-1.0	-52.86	327.43	-0.54	-53.40
O=C(NCCCNC(=O)c1nsnc1[O-])c1cnco1	REAL250005079053	0	30	-1.0	-53.91	290.90	-5.56	-59.47
C=CC(C)(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079054	0	37	-1.0	-53.17	323.69	-0.93	-54.10
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079055	0	34	-1.0	-53.04	308.39	-1.12	-54.16
CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CCC1	REAL250005079056	0	37	-1.0	-52.98	320.89	-0.73	-53.71
CCC(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079057	0	33	-1.0	-53.58	304.27	-1.76	-55.34
O=C(CCCF)NCCCNC(=O)c1nsnc1[O-]	REAL250005079058	0	33	-1.0	-55.90	304.59	-1.65	-57.55
C[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079059	0	34	-1.0	-53.04	308.39	-1.12	-54.16
C=CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079060	0	37	-1.0	-53.51	332.30	-0.45	-53.96
NC(=O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079061	0	28	-1.0	-51.00	271.84	-7.23	-58.23
CC1CC1CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079062	0	37	-1.0	-53.45	328.81	-0.34	-53.79
CCC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079063	0	37	-1.0	-53.06	329.21	-0.58	-53.64
CC(C)(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079064	0	36	-1.0	-52.85	314.93	-1.32	-54.17
CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079065	0	37	-1.0	-53.01	329.80	-0.35	-53.36
O=C(NCCCNC(=O)C1CC12CC2)c1nsnc1[O-]	REAL250005079066	0	35	-1.0	-53.45	319.46	-0.32	-53.77
O=C(NCCCNC(=O)[C@@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005079067	0	32	-1.0	-60.52	301.44	-5.87	-66.39
O=C(NCCCNC(=O)[C@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005079068	0	32	-1.0	-61.06	300.96	-6.21	-67.27
C=CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079069	0	31	-1.0	-53.44	289.41	-2.02	-55.46
CN(C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079070	0	35	-1.0	-53.64	310.00	-4.23	-57.87
C=CC(O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079071	0	32	-1.0	-53.46	300.50	-4.15	-57.61
O=C(NCCCNC(=O)C1COC1)c1nsnc1[O-]	REAL250005079072	0	32	-1.0	-53.55	293.85	-4.05	-57.60
CO[C@H](C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079073	0	34	-1.0	-56.22	309.00	-2.49	-58.71
CCC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079074	0	34	-1.0	-53.14	311.16	-1.19	-54.33
[N-]=[N+]=NCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079075	0	29	-1.0	-55.59	285.61	-6.61	-62.20
O=C(CO)NCCCNC(=O)c1nsnc1[O-]	REAL250005079076	0	28	-1.0	-58.12	266.97	-5.48	-63.60
NC(=O)C=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079077	0	32	-1.0	-55.09	306.46	-5.91	-61.00
CC(O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079078	0	31	-1.0	-57.65	287.63	-4.71	-62.36
C=CCC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079079	0	37	-1.0	-52.61	328.67	-0.65	-53.26
O=C(NCCCNC(=O)C1CC1F)c1nsnc1[O-]	REAL250005079080	0	31	-1.0	-57.00	293.22	-1.72	-58.72
O=C(CCF)NCCCNC(=O)c1nsnc1[O-]	REAL250005079081	0	30	-1.0	-52.27	283.09	-2.42	-54.69
CC(C(=O)NCCCNC(=O)c1nsnc1[O-])=C1CC1	REAL250005079082	0	35	-1.0	-53.89	319.27	-0.32	-54.21
CCC1CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079083	0	37	-1.0	-53.02	329.80	-0.35	-53.37
O=C(C=CCF)NCCCNC(=O)c1nsnc1[O-]	REAL250005079084	0	31	-1.0	-55.22	296.25	-1.83	-57.05
C#CCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079085	0	32	-1.0	-53.14	303.78	-1.28	-54.42
O=C(CN1CCC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079086	0	36	-1.0	-54.72	317.86	-4.64	-59.36
C#C[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079087	0	33	-1.0	-56.10	309.88	-0.63	-56.73
O=C(NCCCNC(=O)C1C2CCC21)c1nsnc1[O-]	REAL250005079088	0	35	-1.0	-53.09	309.71	-0.46	-53.55
C=C1CCC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079089	0	35	-1.0	-52.30	316.05	-0.81	-53.11
C[C@H]1C(C(=O)NCCCNC(=O)c2nsnc2[O-])[C@H]1C	REAL250005079090	0	37	-1.0	-52.92	324.88	-0.57	-53.49
CC=CC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079091	0	35	-1.0	-53.23	325.24	-0.51	-53.74
O=C(NCCCNC(=O)C1CCO1)c1nsnc1[O-]	REAL250005079092	0	32	-1.0	-57.44	295.39	-3.02	-60.46
[N-]=[N+]=NCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079093	0	32	-1.0	-52.18	306.63	-5.94	-58.12
C#CCOCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079094	0	33	-1.0	-59.35	316.86	-1.70	-61.05
CC(C)(O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079095	0	34	-1.0	-51.44	306.98	-5.13	-56.57
CC1=CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079096	0	32	-1.0	-53.68	302.06	-1.09	-54.77
C=C1CC(C(=O)NCCCNC(=O)c2nsnc2[O-])C1	REAL250005079097	0	35	-1.0	-52.63	316.74	-0.77	-53.40
O=C(NCCCNC(=O)c1nsnc1[O-])c1cnc[nH]1	REAL250005079098	0	31	-1.0	-57.01	293.82	-2.72	-59.73
O=C(NCCCNC(=O)C1=CCCO1)c1nsnc1[O-]	REAL250005079099	0	33	-1.0	-51.99	304.60	-2.67	-54.66
C[C@@H](O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079100	0	31	-1.0	-53.96	287.30	-4.69	-58.65
O=C(C=CCO)NCCCNC(=O)c1nsnc1[O-]	REAL250005079101	0	32	-1.0	-56.65	301.17	-5.31	-61.96
COC(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079102	0	31	-1.0	-56.28	295.12	-3.72	-60.00
O=C(NCCCNC(=O)C12CC1CC2)c1nsnc1[O-]	REAL250005079103	0	35	-1.0	-53.24	315.47	-0.58	-53.82
C=C[C@H](C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079104	0	37	-1.0	-52.50	327.51	-0.68	-53.18
O=C(C=CC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079105	0	35	-1.0	-53.07	322.05	-0.37	-53.44
CC=C(CC)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079106	0	37	-1.0	-53.00	325.84	-0.57	-53.57
O=C(NCCCNC(=O)c1nsnc1[O-])C1=CCC1	REAL250005079107	0	32	-1.0	-53.85	297.50	-1.21	-55.06
CON=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079108	0	31	-1.0	-55.58	298.96	-3.98	-59.56
O=C(NCCCNC(=O)C1(F)CC1)c1nsnc1[O-]	REAL250005079109	0	31	-1.0	-50.41	293.08	-1.72	-52.13
O=C(NCCCNC(=O)C1=NOCC1)c1nsnc1[O-]	REAL250005079110	0	32	-1.0	-51.07	300.54	-3.71	-54.78
C#CC(C)(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079111	0	35	-1.0	-55.48	320.75	-0.88	-56.36
O=C(NCCCNC(=O)c1nsnc1[O-])c1ncc[nH]1	REAL250005079112	0	31	-1.0	-53.59	294.95	-3.52	-57.11
CCCC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079113	0	37	-1.0	-52.96	332.66	-0.41	-53.37
CC=C(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079114	0	31	-1.0	-50.28	295.04	-1.88	-52.16
O=C(CC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079115	0	34	-1.0	-53.46	307.43	-1.02	-54.48
CC(C)(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079116	0	33	-1.0	-51.47	302.17	-1.84	-53.31
CC(F)(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079117	0	30	-1.0	-49.56	288.35	-2.37	-51.93
COCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079118	0	31	-1.0	-56.50	289.22	-3.19	-59.69
CCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079119	0	33	-1.0	-53.14	297.99	-1.79	-54.93
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccco1	REAL250005079120	0	31	-1.0	-53.37	296.11	-2.24	-55.61
CC(C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079121	0	36	-1.0	-52.67	314.72	-1.21	-53.88
CC1CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079122	0	34	-1.0	-53.06	308.39	-1.12	-54.18
CCOCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079123	0	34	-1.0	-56.55	311.07	-2.24	-58.79
CC(C)=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079124	0	34	-1.0	-52.48	305.81	-1.25	-53.73
CSCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079125	0	31	-1.0	-55.62	299.56	-2.13	-57.75
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccc[nH]1	REAL250005079126	0	32	-1.0	-55.85	299.00	-2.46	-58.31
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccoc1	REAL250005079127	0	31	-1.0	-56.82	295.28	-2.28	-59.10
CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079128	0	36	-1.0	-53.17	319.49	-1.01	-54.18
CC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079129	0	33	-1.0	-52.92	296.04	-1.89	-54.81
CCC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079130	0	36	-1.0	-52.85	314.17	-1.24	-54.09
O=C(NCCCNC(=O)c1nsnc1[O-])c1cc[nH]n1	REAL250005079131	0	31	-1.0	-55.47	294.70	-3.81	-59.28
O=C(NCCCNC(=O)c1nsnc1[O-])c1cn[nH]c1	REAL250005079132	0	31	-1.0	-54.91	293.99	-3.82	-58.73
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccon1	REAL250005079133	0	30	-1.0	-53.75	290.59	-3.01	-56.76
CCC=C(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079134	0	37	-1.0	-53.20	325.20	-0.49	-53.69
COC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079135	0	34	-1.0	-56.22	308.20	-2.43	-58.65
C=CCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079136	0	34	-1.0	-53.07	310.81	-1.23	-54.30
O=C(NCCCNC(=O)c1nsnc1[O-])c1cocn1	REAL250005079137	0	30	-1.0	-53.85	290.90	-5.65	-59.50
CC(C#N)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079138	0	31	-1.0	-60.14	295.47	-2.26	-62.40
O=C(CCC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079139	0	37	-1.0	-53.19	329.61	-0.23	-53.42
O=C(NCCCNC(=O)C1CC=CC1)c1nsnc1[O-]	REAL250005079140	0	35	-1.0	-52.82	312.03	-0.80	-53.62
O=C(CC1CCC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079141	0	37	-1.0	-53.36	324.41	-0.50	-53.86
CC(C(=O)NCCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005079142	0	37	-1.0	-52.63	325.99	-0.40	-53.03
CC=C(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079143	0	34	-1.0	-53.44	304.81	-1.28	-54.72
CC1CC(C(=O)NCCCNC(=O)c2nsnc2[O-])C1	REAL250005079144	0	37	-1.0	-53.18	323.65	-0.66	-53.84
O=C(C=C1CCC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079145	0	35	-1.0	-53.44	315.66	-0.56	-54.00
O=C(NCCCNC(=O)c1nsnc1[O-])C1=CCCC1	REAL250005079146	0	35	-1.0	-53.11	313.10	-0.69	-53.80
CC1(C)CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079147	0	37	-1.0	-52.30	323.62	-0.57	-52.87
CC1(C)C[C@@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079148	0	37	-1.0	-52.34	323.61	-0.57	-52.91
C#CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079149	0	35	-1.0	-55.99	325.28	-0.49	-56.48
CCC(C)=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079150	0	37	-1.0	-52.03	327.65	-0.49	-52.52
CC(C)C#CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079151	0	35	-1.0	-53.45	325.89	-0.53	-53.98
O=C(C#CC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079152	0	33	-1.0	-53.51	315.56	-0.36	-53.87
CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079153	0	30	-1.0	-53.34	276.50	-2.56	-55.90
COCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079154	0	34	-1.0	-52.75	310.17	-3.49	-56.24
O=C(NCCCNC(=O)C1CC1)c1nsnc1[O-]	REAL250005079155	0	31	-1.0	-53.11	287.01	-1.79	-54.90
O=C(NCCCNC(=O)C1CCC1)c1nsnc1[O-]	REAL250005079156	0	34	-1.0	-53.00	303.21	-1.29	-54.29
O=C(NCCCNC(=O)C1CCCC1)c1nsnc1[O-]	REAL250005079157	0	37	-1.0	-52.90	319.53	-0.67	-53.57
C=CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079158	0	37	-1.0	-53.51	332.30	-0.45	-53.96
NC(=O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079159	0	28	-1.0	-51.00	271.84	-7.23	-58.23
CC1CC1CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079160	0	37	-1.0	-53.45	328.81	-0.34	-53.79
CCC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079161	0	37	-1.0	-53.06	329.21	-0.58	-53.64
CC(C)(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079162	0	36	-1.0	-52.85	314.93	-1.32	-54.17
C=C(C)CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079163	0	37	-1.0	-52.66	332.42	-0.57	-53.23
CC[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079164	0	37	-1.0	-53.01	329.80	-0.35	-53.36
O=C(NCCCNC(=O)C1CC12CC2)c1nsnc1[O-]	REAL250005079165	0	35	-1.0	-53.45	319.46	-0.32	-53.77
CC1(CC(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079166	0	37	-1.0	-52.86	327.43	-0.54	-53.40
CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079167	0	34	-1.0	-52.94	304.77	-1.19	-54.13
O=C(NCCCNC(=O)c1nsnc1[O-])c1cc[nH]c1	REAL250005079168	0	32	-1.0	-59.14	299.13	-2.39	-61.53
O=C(NCCCNC(=O)c1nsnc1[O-])c1cnco1	REAL250005079169	0	30	-1.0	-53.91	290.90	-5.56	-59.47
C=CC(C)(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079170	0	37	-1.0	-53.17	323.69	-0.93	-54.10
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079171	0	34	-1.0	-53.04	308.39	-1.12	-54.16
CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CCC1	REAL250005079172	0	37	-1.0	-52.98	320.89	-0.73	-53.71
CCC(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079173	0	33	-1.0	-53.58	304.27	-1.76	-55.34
O=C(CCCF)NCCCNC(=O)c1nsnc1[O-]	REAL250005079174	0	33	-1.0	-55.90	304.59	-1.65	-57.55
C[C@H]1C[C@@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079175	0	34	-1.0	-53.04	308.39	-1.12	-54.16
O=C(NCCCNC(=O)c1nsnc1[O-])c1c[nH]nn1	REAL250005079176	0	30	-1.0	-53.91	289.95	-5.25	-59.16
O=C(CO)NCCCNC(=O)c1nsnc1[O-]	REAL250005079177	0	28	-1.0	-58.12	266.97	-5.48	-63.60
NC(=O)C=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079178	0	32	-1.0	-55.09	306.46	-5.91	-61.00
O=C(NCCCNC(=O)C1CCO1)c1nsnc1[O-]	REAL250005079179	0	32	-1.0	-57.44	295.39	-3.02	-60.46
O=C(NCCCNC(=O)C1=CCCO1)c1nsnc1[O-]	REAL250005079180	0	33	-1.0	-51.99	304.60	-2.67	-54.66
O=C(NCCCNC(=O)C1COC1)c1nsnc1[O-]	REAL250005079181	0	32	-1.0	-53.55	293.85	-4.05	-57.60
O=C(C=CCO)NCCCNC(=O)c1nsnc1[O-]	REAL250005079182	0	32	-1.0	-56.65	301.17	-5.31	-61.96
CCC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079183	0	34	-1.0	-53.14	311.16	-1.19	-54.33
[N-]=[N+]=NCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079184	0	32	-1.0	-52.18	306.63	-5.94	-58.12
C#CCOCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079185	0	33	-1.0	-59.35	316.86	-1.70	-61.05
C#CCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079186	0	32	-1.0	-53.14	303.78	-1.28	-54.42
CC=CC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079187	0	35	-1.0	-53.23	325.24	-0.51	-53.74
C#CCC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079188	0	35	-1.0	-52.65	321.65	-0.70	-53.35
C=CC(O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079189	0	32	-1.0	-53.46	300.50	-4.15	-57.61
O=C(NCCCNC(=O)C12CC1CC2)c1nsnc1[O-]	REAL250005079190	0	35	-1.0	-53.24	315.47	-0.58	-53.82
C=C[C@H](C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079191	0	37	-1.0	-52.50	327.51	-0.68	-53.18
O=C(C=CC1CC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079192	0	35	-1.0	-53.07	322.05	-0.37	-53.44
CCC(C#N)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079193	0	34	-1.0	-53.76	316.10	-1.62	-55.38
O=C(NCCCNC(=O)C1C2CCC21)c1nsnc1[O-]	REAL250005079194	0	35	-1.0	-53.09	309.71	-0.46	-53.55
C=C1CCC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079195	0	35	-1.0	-52.30	316.05	-0.81	-53.11
C[C@H]1C(C(=O)NCCCNC(=O)c2nsnc2[O-])[C@H]1C	REAL250005079196	0	37	-1.0	-52.92	324.88	-0.57	-53.49
CC(O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079197	0	31	-1.0	-57.65	287.63	-4.71	-62.36
CC(=O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079198	0	29	-1.0	-50.16	279.24	-3.41	-53.57
N#CCCCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079199	0	34	-1.0	-61.66	318.85	-1.27	-62.93
N#CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079200	0	32	-1.0	-52.00	306.28	-1.54	-53.54
C=C1CC(C(=O)NCCCNC(=O)c2nsnc2[O-])C1	REAL250005079201	0	35	-1.0	-52.63	316.74	-0.77	-53.40
O=C(NCCCNC(=O)C1(F)CC1)c1nsnc1[O-]	REAL250005079202	0	31	-1.0	-50.41	293.08	-1.72	-52.13
CC(CC#N)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079203	0	34	-1.0	-53.69	315.22	-1.52	-55.21
CCC1CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079204	0	37	-1.0	-53.02	329.80	-0.35	-53.37
CCCC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079205	0	37	-1.0	-52.96	332.66	-0.41	-53.37
CC=C(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079206	0	31	-1.0	-50.28	295.04	-1.88	-52.16
CC(=O)C=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079207	0	33	-1.0	-53.45	313.32	-2.07	-55.52
O=C(NCCCNC(=O)c1nsnc1[O-])c1ncc[nH]1	REAL250005079208	0	31	-1.0	-53.59	294.95	-3.52	-57.11
CC(CO)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079209	0	34	-1.0	-52.70	306.63	-5.17	-57.87
O=C(NCCCNC(=O)c1nsnc1[O-])c1cnoc1	REAL250005079210	0	30	-1.0	-53.45	290.22	-2.83	-56.28
O=C(NCCCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005079211	0	33	-1.0	-50.13	309.83	-1.84	-51.97
N#C[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079212	0	32	-1.0	-64.13	303.99	-1.49	-65.62
O=C(NCCCNC(=O)c1nsnc1[O-])C1=COCC1	REAL250005079213	0	33	-1.0	-53.53	303.19	-2.72	-56.25
O=C(NCCCNC(=O)C1(O)CC1)c1nsnc1[O-]	REAL250005079214	0	32	-1.0	-52.47	295.33	-4.86	-57.33
O=C(NCCCNC(=O)c1nsnc1[O-])C1=CCC1	REAL250005079215	0	32	-1.0	-53.85	297.50	-1.21	-55.06
CC(CF)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079216	0	33	-1.0	-51.68	301.84	-1.76	-53.44
CC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079217	0	31	-1.0	-53.28	290.07	-1.95	-55.23
O=C(C=CCF)NCCCNC(=O)c1nsnc1[O-]	REAL250005079218	0	31	-1.0	-55.22	296.25	-1.83	-57.05
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccno1	REAL250005079219	0	30	-1.0	-51.55	290.60	-2.83	-54.38
[N-]=[N+]=NCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079220	0	29	-1.0	-55.59	285.61	-6.61	-62.20
C[C@H](O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079221	0	31	-1.0	-53.98	287.29	-4.69	-58.67
CON=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079222	0	31	-1.0	-55.58	298.96	-3.98	-59.56
C#CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079223	0	33	-1.0	-52.08	312.70	-0.72	-52.80
C=CC=CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079224	0	35	-1.0	-53.95	324.66	-0.59	-54.54
C#C[C@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079225	0	33	-1.0	-56.10	309.88	-0.63	-56.73
CC=C(CC)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079226	0	37	-1.0	-53.00	325.84	-0.57	-53.57
COC(F)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079227	0	31	-1.0	-56.28	295.12	-3.72	-60.00
N#C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079228	0	32	-1.0	-54.71	308.01	-1.37	-56.08
C=CCC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079229	0	37	-1.0	-52.61	328.67	-0.65	-53.26
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079230	0	34	-1.0	-53.04	308.39	-1.12	-54.16
CC(C)(O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079231	0	34	-1.0	-51.44	306.98	-5.13	-56.57
O=C(NCCCNC(=O)C1=NOCC1)c1nsnc1[O-]	REAL250005079232	0	32	-1.0	-51.07	300.54	-3.71	-54.78
CC(C#N)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079233	0	34	-1.0	-53.59	314.04	-1.53	-55.12
O=C(NCCCNC(=O)[C@H](O)CF)c1nsnc1[O-]	REAL250005079234	0	31	-1.0	-54.56	293.60	-4.53	-59.09
C=C(C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079235	0	34	-1.0	-53.10	311.05	-1.35	-54.45
CC(C)(C#N)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079236	0	34	-1.0	-59.38	314.32	-1.76	-61.14
CC(C)=C(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079237	0	37	-1.0	-52.45	319.88	-0.56	-53.01
C=CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079238	0	31	-1.0	-53.44	289.41	-2.02	-55.46
CN(C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079239	0	35	-1.0	-53.64	310.00	-4.23	-57.87
N#CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079240	0	28	-1.0	-62.06	275.96	-2.89	-64.95
O=C(NCCCNC(=O)C1CC1F)c1nsnc1[O-]	REAL250005079241	0	31	-1.0	-57.00	293.22	-1.72	-58.72
O=C(CCF)NCCCNC(=O)c1nsnc1[O-]	REAL250005079242	0	30	-1.0	-52.27	283.09	-2.42	-54.69
O=C(NCCCNC(=O)C1C=CCC1)c1nsnc1[O-]	REAL250005079243	0	35	-1.0	-52.62	312.06	-0.76	-53.38
C#CC(C)(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079244	0	35	-1.0	-55.48	320.75	-0.88	-56.36
CO[C@H](C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079245	0	34	-1.0	-56.22	309.00	-2.49	-58.71
C[C@@H](O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079246	0	31	-1.0	-53.96	287.30	-4.69	-58.65
O=C(CN1CCC1)NCCCNC(=O)c1nsnc1[O-]	REAL250005079247	0	36	-1.0	-54.72	317.86	-4.64	-59.36
C=C1CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079248	0	32	-1.0	-53.09	300.59	-1.22	-54.31
O=C(NCCCNC(=O)C1CC(=O)N1)c1nsnc1[O-]	REAL250005079249	0	32	-1.0	-60.15	301.36	-6.10	-66.25
O=C(NCCCNC(=O)[C@@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005079250	0	32	-1.0	-60.52	301.44	-5.87	-66.39
O=C(NCCCNC(=O)c1nsnc1[O-])c1cnc[nH]1	REAL250005079251	0	31	-1.0	-57.01	293.82	-2.72	-59.73
O=C(NCCCNC(=O)C1CC(=O)C1)c1nsnc1[O-]	REAL250005079252	0	33	-1.0	-54.94	305.96	-2.21	-57.15
CC(C(=O)NCCCNC(=O)c1nsnc1[O-])=C1CC1	REAL250005079253	0	35	-1.0	-53.89	319.27	-0.32	-54.21
CC1=CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079254	0	32	-1.0	-53.68	302.06	-1.09	-54.77
O=C(NCCCNC(=O)[C@H]1CC(=O)N1)c1nsnc1[O-]	REAL250005079255	0	32	-1.0	-61.06	300.96	-6.21	-67.27
C=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079256	0	28	-1.0	-53.45	268.35	-2.84	-56.29
CC(CO)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079257	0	34	-1.0	-52.70	306.63	-5.17	-57.87
O=C(NCCCNC(=O)c1nsnc1[O-])c1cnoc1	REAL250005079258	0	30	-1.0	-53.45	290.22	-2.83	-56.28
C#CC1(C(=O)NCCCNC(=O)c2nsnc2[O-])CC1	REAL250005079259	0	33	-1.0	-52.08	312.70	-0.72	-52.80
O=C(NCCCNC(=O)c1nsnc1[O-])C1=COCC1	REAL250005079260	0	33	-1.0	-53.53	303.19	-2.72	-56.25
C[C@H](O)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079261	0	31	-1.0	-53.98	287.29	-4.69	-58.67
O=C(NCCCNC(=O)C1C=CCC1)c1nsnc1[O-]	REAL250005079262	0	35	-1.0	-52.62	312.06	-0.76	-53.38
C=C1CC1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079263	0	32	-1.0	-53.09	300.59	-1.22	-54.31
CC(CF)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079264	0	33	-1.0	-51.68	301.84	-1.76	-53.44
C=C(C)CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079265	0	34	-1.0	-53.10	311.05	-1.35	-54.45
CC(C)=C(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079266	0	37	-1.0	-52.45	319.88	-0.56	-53.01
CC=CC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079267	0	31	-1.0	-53.28	290.07	-1.95	-55.23
C[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079268	0	34	-1.0	-53.04	308.39	-1.12	-54.16
C=CC=CCC(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079269	0	35	-1.0	-53.95	324.66	-0.59	-54.54
C#CCC(C)C(=O)NCCCNC(=O)c1nsnc1[O-]	REAL250005079270	0	35	-1.0	-52.65	321.65	-0.70	-53.35
O=C(NCCCNC(=O)[C@H](O)CF)c1nsnc1[O-]	REAL250005079271	0	31	-1.0	-54.56	293.60	-4.53	-59.09
O=C(NCCCNC(=O)C1(O)CC1)c1nsnc1[O-]	REAL250005079272	0	32	-1.0	-52.47	295.33	-4.86	-57.33
O=C(NCCCNC(=O)C1CC(=O)N1)c1nsnc1[O-]	REAL250005079273	0	32	-1.0	-60.15	301.36	-6.10	-66.25
O=C(NCCCNC(=O)c1nsnc1[O-])c1ccno1	REAL250005079274	0	30	-1.0	-51.55	290.60	-2.83	-54.38
CC(=O)NCCCCCCNC(=O)c1nsnc1[O-]	REAL250005079275	0	36	-1.0	-53.14	320.68	-1.03	-54.17
CC(=O)NCCCCCCNC(=O)c1nsnc1[O-]	REAL250005079276	0	36	-1.0	-53.14	320.68	-1.03	-54.17
C=CC(=O)NCCCCCCNC(=O)c1nsnc1[O-]	REAL250005079277	0	37	-1.0	-53.00	332.84	-0.50	-53.50
CCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079278	0	31	-1.0	-50.45	278.28	-0.90	-51.35
CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079279	0	28	-1.0	-56.02	255.31	-1.79	-57.81
O=C(N[C@@H]1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079280	0	32	-1.0	-49.51	287.57	-0.20	-49.71
O=C(N[C@@H]1CCN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079281	0	35	-1.0	-49.57	305.02	0.34	-49.23
O=C(CC1CC1)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079282	0	35	-1.0	-49.89	309.34	0.61	-49.28
COCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079283	0	32	-1.0	-60.59	291.11	-1.53	-62.12
CCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079284	0	34	-1.0	-49.64	299.90	-0.15	-49.79
CC(C)CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079285	0	37	-1.0	-49.30	316.63	0.44	-48.86
CC1CC1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079286	0	35	-1.0	-49.59	309.75	0.48	-49.11
CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079287	0	35	-1.0	-56.50	307.35	0.33	-56.17
CCCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079288	0	37	-1.0	-49.74	321.40	0.63	-49.11
CC(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079289	0	34	-1.0	-49.13	292.35	-0.58	-49.71
CCC(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079290	0	37	-1.0	-50.05	316.50	0.24	-49.81
C=CCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079291	0	35	-1.0	-49.63	312.72	0.41	-49.22
CC=C(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079292	0	35	-1.0	-55.99	311.30	0.22	-55.77
CC1(C(=O)N2CC[C@@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079293	0	35	-1.0	-49.34	305.83	0.12	-49.22
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079294	0	35	-1.0	-49.23	309.00	0.48	-48.75
C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079295	0	35	-1.0	-49.56	309.80	0.46	-49.10
NC(=O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079296	0	29	-1.0	-50.16	269.82	-5.59	-55.75
CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079297	0	37	-1.0	-48.26	305.92	-0.28	-48.54
C=CCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079298	0	32	-1.0	-49.40	290.07	-0.39	-49.79
CN(C)CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079299	0	36	-1.0	-50.10	311.89	-2.62	-52.72
C=CC(O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079300	0	33	-1.0	-49.89	294.24	-2.52	-52.41
O=C(N[C@@H]1CCN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079301	0	33	-1.0	-49.66	294.05	-2.47	-52.13
CCC=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079302	0	35	-1.0	-55.79	311.06	0.41	-55.38
[N-]=[N+]=NCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079303	0	30	-1.0	-58.07	286.61	-5.01	-63.08
O=C(CO)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079304	0	29	-1.0	-61.81	268.71	-3.80	-65.61
CC(O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079305	0	32	-1.0	-51.10	284.36	-3.23	-54.33
O=C(CCF)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079306	0	31	-1.0	-48.28	283.74	-0.79	-49.07
C#CCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079307	0	33	-1.0	-49.64	305.72	0.34	-49.30
O=C(N[C@@H]1CCN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005079308	0	33	-1.0	-53.88	294.37	-1.42	-55.30
CC1=CC1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079309	0	33	-1.0	-49.85	302.44	0.51	-49.34
C[C@@H](O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079310	0	32	-1.0	-50.50	284.58	-3.27	-53.77
O=C(C=CCO)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079311	0	33	-1.0	-60.36	302.20	-3.71	-64.07
O=C(N[C@@H]1CCN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005079312	0	33	-1.0	-51.10	293.53	0.12	-50.98
CON=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079313	0	32	-1.0	-57.46	299.99	-2.40	-59.86
O=C(CC1CC1)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079314	0	35	-1.0	-56.55	305.18	0.90	-55.65
COCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079315	0	32	-1.0	-61.42	287.62	-1.35	-62.77
CCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079316	0	34	-1.0	-57.93	296.39	0.05	-57.88
CC(C)CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079317	0	37	-1.0	-57.57	313.12	0.64	-56.93
CC1CC1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079318	0	35	-1.0	-57.76	306.82	0.71	-57.05
CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079319	0	35	-1.0	-57.01	304.36	0.59	-56.42
CCCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079320	0	37	-1.0	-56.35	317.25	0.90	-55.45
CC(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079321	0	34	-1.0	-56.15	293.82	0.01	-56.14
CCC(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079322	0	37	-1.0	-57.62	312.56	0.58	-57.04
C=CCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079323	0	35	-1.0	-57.96	309.20	0.62	-57.34
CC(C#N)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079324	0	32	-1.0	-62.57	293.13	-0.36	-62.93
CC=C(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079325	0	35	-1.0	-56.42	302.57	0.65	-55.77
CCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079326	0	31	-1.0	-58.16	274.89	-0.71	-58.87
CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079327	0	28	-1.0	-56.08	253.56	-1.46	-57.54
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005079328	0	32	-1.0	-56.15	284.80	0.13	-56.02
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005079329	0	35	-1.0	-56.03	300.95	0.63	-55.40
NC(=O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079330	0	29	-1.0	-54.13	269.63	-5.31	-59.44
CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079331	0	37	-1.0	-55.98	312.69	0.59	-55.39
CC1(C(=O)N[C@@H]2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005079332	0	35	-1.0	-57.56	303.17	0.65	-56.91
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079333	0	35	-1.0	-56.16	306.18	0.80	-55.36
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079334	0	35	-1.0	-55.58	306.05	0.79	-54.79
O=C(CO)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079335	0	29	-1.0	-63.25	265.36	-3.65	-66.90
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079336	0	33	-1.0	-62.95	293.36	-1.10	-64.05
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005079337	0	33	-1.0	-56.14	291.59	-2.15	-58.29
O=C(C=CCO)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079338	0	33	-1.0	-60.06	298.94	-3.40	-63.46
CCC=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079339	0	35	-1.0	-56.22	308.93	0.72	-55.50
C#CCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079340	0	33	-1.0	-56.26	301.52	0.64	-55.62
C=CC(O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079341	0	33	-1.0	-57.88	296.29	-2.13	-60.01
CC(O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079342	0	32	-1.0	-55.86	284.95	-2.80	-58.66
CC(=O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079343	0	30	-1.0	-54.15	276.75	-1.62	-55.77
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079344	0	33	-1.0	-57.21	293.73	-3.02	-60.23
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079345	0	33	-1.0	-56.91	294.73	0.64	-56.27
CC=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079346	0	32	-1.0	-56.42	287.84	-0.04	-56.46
[N-]=[N+]=NCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079347	0	30	-1.0	-60.79	284.05	-4.77	-65.56
C[C@H](O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079348	0	32	-1.0	-60.59	284.61	-2.77	-63.36
CON=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079349	0	32	-1.0	-58.69	296.73	-2.07	-60.76
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079350	0	35	-1.0	-56.16	306.18	0.80	-55.36
C=C(C)CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079351	0	35	-1.0	-55.67	308.68	0.55	-55.12
C=CCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079352	0	32	-1.0	-58.61	287.85	-0.18	-58.79
CN(C)CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079353	0	36	-1.0	-56.17	307.66	-2.32	-58.49
N#CCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079354	0	29	-1.0	-67.73	274.35	-1.05	-68.78
O=C(CCF)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079355	0	31	-1.0	-56.75	281.48	-0.57	-57.32
C[C@@H](O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079356	0	32	-1.0	-56.39	285.10	-2.79	-59.18
C=C1CC1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079357	0	33	-1.0	-56.00	298.34	0.70	-55.30
CC1=CC1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079358	0	33	-1.0	-56.60	299.85	0.82	-55.78
C=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079359	0	29	-1.0	-56.59	266.13	-0.92	-57.51
C[C@H](O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079360	0	32	-1.0	-50.29	284.21	-3.28	-53.57
C=C1CC1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079361	0	33	-1.0	-49.72	301.90	0.39	-49.33
C=C(C)CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079362	0	35	-1.0	-49.41	311.36	0.25	-49.16
CC=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079363	0	32	-1.0	-56.80	291.10	-0.34	-57.14
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079364	0	35	-1.0	-49.23	309.00	0.48	-48.75
O=C(N[C@@H]1CCN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005079365	0	33	-1.0	-47.72	297.76	-3.51	-51.23
CCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005079366	0	34	-1.0	-54.16	287.68	1.09	-53.07
CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005079367	0	31	-1.0	-55.72	266.68	0.24	-55.48
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)C2CC2)C1	REAL250005079368	0	35	-1.0	-54.77	298.14	1.86	-52.91
CCCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005079369	0	37	-1.0	-53.83	309.18	1.86	-51.97
CC(C)C(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005079370	0	37	-1.0	-50.05	307.58	1.60	-48.45
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)C(N)=O)C1	REAL250005079371	0	32	-1.0	-51.37	280.63	-3.61	-54.98
C=CCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005079372	0	35	-1.0	-54.01	300.59	1.63	-52.38
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)CO)C1	REAL250005079373	0	32	-1.0	-58.70	278.13	-1.78	-60.48
CCCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079374	0	37	-1.0	-52.56	308.41	1.79	-50.77
CC(C)C(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079375	0	37	-1.0	-52.26	304.57	1.43	-50.83
CCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079376	0	34	-1.0	-52.85	286.91	1.02	-51.83
CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079377	0	31	-1.0	-55.85	267.18	0.18	-55.67
CN(C(=O)C1CC1)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079378	0	35	-1.0	-53.14	297.00	1.76	-51.38
CN(C(=O)C(N)=O)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079379	0	32	-1.0	-56.50	278.54	-3.52	-60.02
CN(C(=O)CO)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079380	0	32	-1.0	-57.23	277.38	-1.89	-59.12
CC(=O)C(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079381	0	33	-1.0	-50.29	287.23	0.22	-50.07
CC=CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079382	0	35	-1.0	-52.79	299.66	1.62	-51.17
C=CCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079383	0	35	-1.0	-52.77	299.82	1.56	-51.21
CN(C(=O)CC#N)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079384	0	32	-1.0	-60.70	286.37	0.70	-60.00
C=CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079385	0	32	-1.0	-61.70	276.39	0.81	-60.89
CC=CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005079386	0	35	-1.0	-55.41	301.13	1.68	-53.73
CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079387	0	34	-1.0	-56.02	278.11	1.89	-54.13
CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079388	0	31	-1.0	-60.27	254.84	1.01	-59.26
O=C(c1nsnc1[O-])N1CCCN(C(=O)C2CC2)CC1	REAL250005079389	0	35	-1.0	-50.30	289.46	2.97	-47.33
CCCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079390	0	37	-1.0	-56.13	299.61	2.65	-53.48
CC(C)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079391	0	37	-1.0	-56.44	292.91	2.21	-54.23
NC(=O)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079392	0	32	-1.0	-48.30	270.63	-2.38	-50.68
C=CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079393	0	35	-1.0	-56.01	291.02	2.43	-53.58
O=C(CO)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079394	0	32	-1.0	-60.34	268.57	-1.01	-61.35
CCCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079395	0	37	-1.0	-56.13	299.61	2.65	-53.48
CC(C)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079396	0	37	-1.0	-56.44	292.91	2.21	-54.23
CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079397	0	34	-1.0	-56.02	278.11	1.89	-54.13
CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079398	0	31	-1.0	-60.27	254.84	1.01	-59.26
O=C(c1nsnc1[O-])N1CCCN(C(=O)C2CC2)CC1	REAL250005079399	0	35	-1.0	-50.30	289.46	2.97	-47.33
NC(=O)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079400	0	32	-1.0	-48.30	270.63	-2.38	-50.68
O=C(CO)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079401	0	32	-1.0	-60.34	268.57	-1.01	-61.35
CC(=O)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079402	0	33	-1.0	-56.19	275.58	1.09	-55.10
CC=CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079403	0	35	-1.0	-50.33	293.04	2.77	-47.56
C=CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079404	0	35	-1.0	-56.01	291.02	2.43	-53.58
N#CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079405	0	32	-1.0	-61.10	277.57	1.57	-59.53
C=CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079406	0	32	-1.0	-60.75	268.00	1.55	-59.20
CC=CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005079407	0	35	-1.0	-50.33	293.04	2.77	-47.56
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079408	0	34	-1.0	-48.79	291.83	-0.19	-48.98
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079409	0	31	-1.0	-53.26	270.55	-1.02	-54.28
O=C(NC1CCN(C(=O)C2CC2)CC1)c1nsnc1[O-]	REAL250005079410	0	35	-1.0	-48.68	301.78	0.54	-48.14
CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079411	0	37	-1.0	-48.47	313.33	0.58	-47.89
CC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079412	0	37	-1.0	-48.32	309.65	0.25	-48.07
NC(=O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079413	0	32	-1.0	-49.27	284.63	-4.99	-54.26
C=CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079414	0	35	-1.0	-48.80	304.68	0.34	-48.46
O=C(CO)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079415	0	32	-1.0	-52.87	282.30	-3.09	-55.96
CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079416	0	37	-1.0	-50.85	310.03	0.77	-50.08
CC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079417	0	37	-1.0	-50.58	308.08	0.68	-49.90
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079418	0	34	-1.0	-51.62	288.60	0.00	-51.62
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079419	0	31	-1.0	-52.05	268.29	-0.81	-52.86
O=C(NC1CCN(C(=O)c2nsnc2[O-])CC1)C1CC1	REAL250005079420	0	35	-1.0	-51.52	299.23	0.73	-50.79
NC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079421	0	32	-1.0	-50.35	283.88	-4.64	-54.99
O=C(CO)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079422	0	32	-1.0	-55.37	279.00	-2.91	-58.28
CC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079423	0	33	-1.0	-49.43	290.79	-0.85	-50.28
CC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079424	0	35	-1.0	-51.03	302.11	0.63	-50.40
C=CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079425	0	35	-1.0	-51.15	301.45	0.55	-50.60
N#CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079426	0	32	-1.0	-59.24	288.00	-0.31	-59.55
C=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079427	0	32	-1.0	-51.19	280.38	-0.26	-51.45
CC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079428	0	35	-1.0	-52.70	304.28	0.38	-52.32
CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])CC1	REAL250005079429	0	37	-1.0	-52.96	311.56	0.53	-52.43
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])CC1	REAL250005079430	0	34	-1.0	-53.35	291.25	-0.24	-53.59
CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079431	0	37	-1.0	-54.78	308.31	0.73	-54.05
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079432	0	34	-1.0	-55.18	287.65	-0.07	-55.25
C=CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079433	0	35	-1.0	-54.96	300.16	0.44	-54.52
CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079434	0	34	-1.0	-61.77	291.79	-0.20	-61.97
CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079435	0	31	-1.0	-61.89	271.48	-0.98	-62.87
O=C(NC1CCCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079436	0	35	-1.0	-54.91	301.58	0.55	-54.36
CCCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079437	0	37	-1.0	-54.76	313.28	0.57	-54.19
CC(C)C(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079438	0	37	-1.0	-54.95	311.64	0.35	-54.60
NC(=O)C(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079439	0	32	-1.0	-54.26	284.62	-5.00	-59.26
C=CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079440	0	35	-1.0	-61.82	304.73	0.36	-61.46
O=C(CO)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079441	0	32	-1.0	-67.29	282.26	-3.10	-70.39
CCCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079442	0	37	-1.0	-62.39	310.47	0.79	-61.60
CC(C)C(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079443	0	37	-1.0	-59.39	308.53	0.69	-58.70
CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079444	0	34	-1.0	-59.70	288.98	0.02	-59.68
CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079445	0	31	-1.0	-59.78	268.39	-0.79	-60.57
O=C(NC1CCCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005079446	0	35	-1.0	-62.03	299.13	0.78	-61.25
NC(=O)C(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079447	0	32	-1.0	-54.55	284.33	-4.63	-59.18
O=C(CO)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079448	0	32	-1.0	-67.80	279.08	-2.91	-70.71
CC(=O)C(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079449	0	33	-1.0	-54.35	290.73	-0.85	-55.20
CC=CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079450	0	35	-1.0	-59.73	302.55	0.64	-59.09
C=CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079451	0	35	-1.0	-62.43	301.52	0.55	-61.88
N#CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079452	0	32	-1.0	-71.89	288.07	-0.31	-72.20
C=CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079453	0	32	-1.0	-59.74	280.83	-0.25	-59.99
CC=CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079454	0	35	-1.0	-61.95	304.25	0.38	-61.57
CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079455	0	37	-1.0	-54.78	308.31	0.73	-54.05
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079456	0	34	-1.0	-55.18	287.65	-0.07	-55.25
CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])CC1	REAL250005079457	0	37	-1.0	-52.96	311.56	0.53	-52.43
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])CC1	REAL250005079458	0	34	-1.0	-53.35	291.25	-0.24	-53.59
C=CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])CC1	REAL250005079459	0	35	-1.0	-52.31	302.32	0.25	-52.06
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079460	0	34	-1.0	-51.62	288.60	0.00	-51.62
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079461	0	31	-1.0	-52.05	268.29	-0.81	-52.86
O=C(NC1CCN(C(=O)c2nsnc2[O-])CC1)C1CC1	REAL250005079462	0	35	-1.0	-51.52	299.23	0.73	-50.79
CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079463	0	37	-1.0	-50.85	310.03	0.77	-50.08
CC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079464	0	37	-1.0	-50.58	308.08	0.68	-49.90
NC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079465	0	32	-1.0	-50.35	283.88	-4.64	-54.99
C=CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079466	0	35	-1.0	-51.15	301.45	0.55	-50.60
O=C(CO)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079467	0	32	-1.0	-55.37	279.00	-2.91	-58.28
CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079468	0	37	-1.0	-48.47	313.33	0.58	-47.89
CC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079469	0	37	-1.0	-48.32	309.65	0.25	-48.07
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079470	0	34	-1.0	-48.79	291.83	-0.19	-48.98
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079471	0	31	-1.0	-53.26	270.55	-1.02	-54.28
O=C(NC1CCN(C(=O)C2CC2)CC1)c1nsnc1[O-]	REAL250005079472	0	35	-1.0	-48.68	301.78	0.54	-48.14
NC(=O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079473	0	32	-1.0	-49.27	284.63	-4.99	-54.26
O=C(CO)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079474	0	32	-1.0	-52.87	282.30	-3.09	-55.96
CC(=O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079475	0	33	-1.0	-49.30	292.72	-1.04	-50.34
CC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079476	0	35	-1.0	-52.70	304.28	0.38	-52.32
C=CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079477	0	35	-1.0	-48.80	304.68	0.34	-48.46
N#CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079478	0	32	-1.0	-55.82	291.29	-0.50	-56.32
C=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005079479	0	32	-1.0	-49.18	282.59	-0.48	-49.66
CC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079480	0	35	-1.0	-51.03	302.11	0.63	-50.40
CCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079481	0	33	-1.0	-53.50	292.21	-0.15	-53.65
CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079482	0	30	-1.0	-53.80	271.62	-0.96	-54.76
CN(CCCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005079483	0	34	-1.0	-53.35	302.73	0.62	-52.73
CN(CCCNC(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005079484	0	37	-1.0	-53.09	318.94	1.12	-51.97
CN(CCCNC(=O)CC1CC1)C(=O)c1nsnc1[O-]	REAL250005079485	0	37	-1.0	-53.42	323.17	1.40	-52.02
COCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079486	0	34	-1.0	-56.15	304.93	-0.79	-56.94
CCCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079487	0	36	-1.0	-53.20	313.71	0.61	-52.59
CC1CC1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079488	0	37	-1.0	-53.34	324.11	1.29	-52.05
CC(C)=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079489	0	37	-1.0	-53.02	321.80	1.16	-51.86
CC(C)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079490	0	36	-1.0	-53.06	311.76	0.52	-52.54
C=CCCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079491	0	37	-1.0	-53.22	326.52	1.17	-52.05
CC=C(C)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079492	0	37	-1.0	-53.74	320.53	1.13	-52.61
CN(CCCNC(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005079493	0	37	-1.0	-53.22	320.50	1.23	-51.99
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079494	0	37	-1.0	-53.31	324.12	1.30	-52.01
C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079495	0	37	-1.0	-53.33	323.37	1.31	-52.02
CN(CCCNC(=O)C(N)=O)C(=O)c1nsnc1[O-]	REAL250005079496	0	31	-1.0	-53.16	287.56	-4.83	-57.99
C=CCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079497	0	34	-1.0	-53.51	305.13	0.39	-53.12
CCC=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079498	0	37	-1.0	-53.48	326.88	1.22	-52.26
CN(CCCNC(=O)CN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005079499	0	32	-1.0	-54.82	301.31	-4.20	-59.02
CN(CCCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005079500	0	31	-1.0	-57.89	282.68	-3.07	-60.96
CC(O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079501	0	34	-1.0	-53.49	303.01	-2.28	-55.77
CN(CCCNC(=O)CCF)C(=O)c1nsnc1[O-]	REAL250005079502	0	33	-1.0	-52.41	298.80	-0.01	-52.42
C#CCCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079503	0	35	-1.0	-53.43	319.50	1.13	-52.30
CC1=CC1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079504	0	35	-1.0	-54.36	317.76	1.33	-53.03
C[C@@H](O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079505	0	34	-1.0	-53.48	303.01	-2.28	-55.76
CN(CCCNC(=O)C1=CCC1)C(=O)c1nsnc1[O-]	REAL250005079506	0	35	-1.0	-54.28	313.23	1.20	-53.08
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005079507	0	37	-1.0	-53.79	325.26	1.08	-52.71
COCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079508	0	34	-1.0	-56.90	307.31	-1.06	-57.96
CCCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079509	0	36	-1.0	-53.46	316.09	0.32	-53.14
CC1CC1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079510	0	37	-1.0	-53.54	325.67	0.95	-52.59
CC(C)=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079511	0	37	-1.0	-52.79	323.20	0.84	-51.95
CC(C)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079512	0	36	-1.0	-53.46	309.23	-0.07	-53.53
C=CCCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079513	0	37	-1.0	-53.28	328.90	0.88	-52.40
CC(C#N)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079514	0	34	-1.0	-60.63	308.65	-0.46	-61.09
CC=C(C)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079515	0	37	-1.0	-53.88	323.57	0.51	-53.37
CCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079516	0	33	-1.0	-53.62	294.59	-0.44	-54.06
CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079517	0	30	-1.0	-53.89	274.28	-1.23	-55.12
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005079518	0	34	-1.0	-53.54	304.75	0.26	-53.28
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1CCC1	REAL250005079519	0	37	-1.0	-53.58	320.87	0.81	-52.77
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005079520	0	31	-1.0	-50.52	287.17	-5.07	-55.59
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1(C)CC1	REAL250005079521	0	37	-1.0	-53.70	321.93	0.58	-53.12
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079522	0	37	-1.0	-53.54	326.40	0.96	-52.58
C[C@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079523	0	37	-1.0	-53.57	325.68	0.96	-52.61
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005079524	0	31	-1.0	-58.58	285.06	-3.34	-61.92
CCC=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079525	0	37	-1.0	-53.60	328.43	0.91	-52.69
C#CCCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079526	0	35	-1.0	-53.23	321.87	0.84	-52.39
CC(O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079527	0	34	-1.0	-53.98	301.28	-2.77	-56.75
CC(=O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079528	0	32	-1.0	-50.04	294.79	-1.27	-51.31
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005079529	0	35	-1.0	-54.90	310.74	0.67	-54.23
CC=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079530	0	34	-1.0	-53.81	307.34	0.15	-53.66
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005079531	0	32	-1.0	-55.72	303.69	-4.53	-60.25
C[C@H](O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079532	0	34	-1.0	-58.41	300.62	-2.83	-61.24
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079533	0	37	-1.0	-53.54	326.40	0.96	-52.58
C=C(C)CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079534	0	37	-1.0	-53.36	329.11	0.75	-52.61
C=CCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079535	0	34	-1.0	-53.59	307.50	0.10	-53.49
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005079536	0	31	-1.0	-62.23	294.05	-0.77	-63.00
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CCF	REAL250005079537	0	33	-1.0	-52.30	301.18	-0.30	-52.60
C[C@@H](O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079538	0	34	-1.0	-54.39	300.28	-2.80	-57.19
C=C1CC1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079539	0	35	-1.0	-53.56	317.88	0.86	-52.70
CC1=CC1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079540	0	35	-1.0	-54.14	319.35	1.00	-53.14
C=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005079541	0	31	-1.0	-53.84	285.62	-0.73	-54.57
C[C@H](O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079542	0	34	-1.0	-57.23	302.55	-2.26	-59.49
C=C1CC1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079543	0	35	-1.0	-53.57	316.30	1.19	-52.38
C=C(C)CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079544	0	37	-1.0	-53.17	326.74	1.04	-52.13
CC=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079545	0	34	-1.0	-53.69	305.79	0.46	-53.23
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005079546	0	37	-1.0	-53.31	324.12	1.30	-52.01
CC(=O)N1CCCCC1C(C)NC(=O)c1nsnc1[O-]	REAL250005079547	0	37	-1.0	-59.85	295.09	1.51	-58.34
CC(=O)NC(C)C1CCCCN1C(=O)c1nsnc1[O-]	REAL250005079548	0	37	-1.0	-54.88	292.58	1.56	-53.32
CCC(=O)NCCCN(CC)C(=O)c1nsnc1[O-]	REAL250005079549	0	36	-1.0	-54.01	310.24	1.02	-52.99
CCN(CCCNC(C)=O)C(=O)c1nsnc1[O-]	REAL250005079550	0	33	-1.0	-54.32	289.95	0.21	-54.11
CCN(CCCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005079551	0	37	-1.0	-54.02	318.47	1.64	-52.38
C=CCC(=O)NCCCN(CC)C(=O)c1nsnc1[O-]	REAL250005079552	0	37	-1.0	-54.03	323.15	1.57	-52.46
CCN(CCCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005079553	0	34	-1.0	-58.41	300.71	-1.90	-60.31
CCC(=O)N(CC)CCCNC(=O)c1nsnc1[O-]	REAL250005079554	0	36	-1.0	-53.19	310.52	0.35	-52.84
CCN(CCCNC(=O)c1nsnc1[O-])C(C)=O	REAL250005079555	0	33	-1.0	-53.42	290.58	-0.46	-53.88
CCN(CCCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005079556	0	37	-1.0	-53.14	325.31	1.21	-51.93
CCN(CCCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005079557	0	34	-1.0	-58.07	301.00	-2.55	-60.62
CC=CC(=O)N(CC)CCCNC(=O)c1nsnc1[O-]	REAL250005079558	0	37	-1.0	-53.48	325.11	1.01	-52.47
C=CCC(=O)N(CC)CCCNC(=O)c1nsnc1[O-]	REAL250005079559	0	37	-1.0	-53.38	323.43	0.89	-52.49
CCN(CCCNC(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005079560	0	34	-1.0	-61.40	309.99	0.02	-61.38
C=CC(=O)N(CC)CCCNC(=O)c1nsnc1[O-]	REAL250005079561	0	34	-1.0	-53.50	303.39	0.13	-53.37
CC=CC(=O)NCCCN(CC)C(=O)c1nsnc1[O-]	REAL250005079562	0	37	-1.0	-54.18	323.81	1.63	-52.55
CCC(=O)NCCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005079563	0	37	-1.0	-53.12	314.21	1.39	-51.73
CC(=O)NCCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005079564	0	34	-1.0	-53.50	293.93	0.57	-52.93
CCC(=O)N(CCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005079565	0	37	-1.0	-49.30	317.34	1.00	-48.30
CC(=O)N(CCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005079566	0	34	-1.0	-49.87	296.07	0.23	-49.64
C=CC(=O)N(CCCNC(=O)c1nsnc1[O-])C1CC1	REAL250005079567	0	35	-1.0	-49.80	310.69	0.82	-48.98
CCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079568	0	37	-1.0	-50.90	302.37	1.80	-49.10
CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079569	0	34	-1.0	-51.26	280.87	0.98	-50.28
CCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005079570	0	37	-1.0	-52.14	303.28	1.90	-50.24
CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005079571	0	34	-1.0	-52.64	282.92	1.13	-51.51
C=CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005079572	0	35	-1.0	-52.19	293.59	1.64	-50.55
CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079573	0	34	-1.0	-59.70	288.98	0.02	-59.68
CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079574	0	31	-1.0	-59.78	268.39	-0.79	-60.57
O=C(NC1CCCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005079575	0	35	-1.0	-62.03	299.13	0.78	-61.25
CCCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079576	0	37	-1.0	-62.39	310.47	0.79	-61.60
CC(C)C(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079577	0	37	-1.0	-59.39	308.53	0.69	-58.70
NC(=O)C(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079578	0	32	-1.0	-54.55	284.33	-4.63	-59.18
C=CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079579	0	35	-1.0	-62.43	301.52	0.55	-61.88
O=C(CO)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079580	0	32	-1.0	-67.80	279.08	-2.91	-70.71
CCCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079581	0	37	-1.0	-54.76	313.28	0.57	-54.19
CC(C)C(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079582	0	37	-1.0	-54.95	311.64	0.35	-54.60
CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079583	0	34	-1.0	-61.77	291.79	-0.20	-61.97
CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079584	0	31	-1.0	-61.89	271.48	-0.98	-62.87
O=C(NC1CCCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079585	0	35	-1.0	-54.91	301.58	0.55	-54.36
NC(=O)C(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079586	0	32	-1.0	-54.26	284.62	-5.00	-59.26
O=C(CO)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079587	0	32	-1.0	-67.29	282.26	-3.10	-70.39
CC(=O)C(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079588	0	33	-1.0	-54.70	293.20	-1.05	-55.75
CC=CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079589	0	35	-1.0	-61.95	304.25	0.38	-61.57
C=CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079590	0	35	-1.0	-61.82	304.73	0.36	-61.46
N#CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079591	0	32	-1.0	-70.26	291.25	-0.52	-70.78
C=CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005079592	0	32	-1.0	-61.81	282.53	-0.50	-62.31
CC=CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079593	0	35	-1.0	-59.73	302.55	0.64	-59.09
CC(=O)NCCN1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005079594	0	36	-1.0	-54.52	303.36	-2.50	-57.02
CC(=O)N1CCN(CCNC(=O)c2nsnc2[O-])CC1	REAL250005079595	0	36	-1.0	-50.69	306.56	-2.67	-53.36
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079596	0	31	-1.0	-55.99	274.17	-0.64	-56.63
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079597	0	28	-1.0	-58.27	254.59	-1.53	-59.80
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005079598	0	32	-1.0	-55.78	284.70	0.12	-55.66
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005079599	0	35	-1.0	-58.51	301.77	0.53	-57.98
O=C(CC1CC1)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079600	0	35	-1.0	-58.65	305.88	0.82	-57.83
COCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079601	0	32	-1.0	-58.99	286.89	-1.28	-60.27
CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079602	0	34	-1.0	-55.73	295.67	0.13	-55.60
CC(C)CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079603	0	37	-1.0	-55.40	312.39	0.71	-54.69
CC1CC1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079604	0	35	-1.0	-57.75	306.77	0.73	-57.02
CC(C)=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079605	0	35	-1.0	-57.06	304.56	0.59	-56.47
CCCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079606	0	37	-1.0	-55.85	317.16	0.91	-54.94
CC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079607	0	34	-1.0	-55.44	293.72	0.03	-55.41
CCC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079608	0	37	-1.0	-57.75	312.55	0.59	-57.16
C=CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079609	0	35	-1.0	-55.51	308.48	0.69	-54.82
CC=C(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079610	0	35	-1.0	-58.07	303.19	0.57	-57.50
CC1(C(=O)NC2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005079611	0	35	-1.0	-57.56	303.16	0.65	-56.91
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079612	0	35	-1.0	-58.26	306.91	0.70	-57.56
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079613	0	35	-1.0	-56.13	306.19	0.79	-55.34
NC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079614	0	29	-1.0	-54.35	270.23	-5.40	-59.75
CC(C)(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079615	0	37	-1.0	-57.62	313.32	0.51	-57.11
C=CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079616	0	32	-1.0	-55.94	287.08	-0.10	-56.04
CN(C)CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079617	0	36	-1.0	-56.16	307.67	-2.31	-58.47
C=CC(O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079618	0	33	-1.0	-56.47	295.52	-2.06	-58.53
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005079619	0	33	-1.0	-58.06	292.24	-2.21	-60.27
CCC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079620	0	35	-1.0	-57.94	309.54	0.66	-57.28
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079621	0	30	-1.0	-58.54	283.28	-4.69	-63.23
O=C(CO)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079622	0	29	-1.0	-60.63	264.64	-3.56	-64.19
CC(O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079623	0	32	-1.0	-55.89	284.96	-2.79	-58.68
O=C(CCF)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079624	0	31	-1.0	-54.95	280.76	-0.50	-55.45
C#CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079625	0	33	-1.0	-55.79	301.45	0.64	-55.15
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079626	0	33	-1.0	-60.52	293.17	-1.11	-61.63
CC1=CC1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079627	0	33	-1.0	-58.92	300.61	0.72	-58.20
C[C@@H](O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079628	0	32	-1.0	-59.43	285.78	-2.87	-62.30
O=C(C=CCO)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079629	0	33	-1.0	-61.87	299.56	-3.46	-65.33
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079630	0	33	-1.0	-58.48	295.88	0.62	-57.86
CON=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079631	0	32	-1.0	-60.34	297.34	-2.14	-62.48
O=C(CC1CC1)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079632	0	35	-1.0	-49.45	308.13	0.60	-48.85
COCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079633	0	32	-1.0	-60.61	291.15	-1.53	-62.14
CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079634	0	34	-1.0	-50.14	299.77	-0.14	-50.28
CC(C)CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079635	0	37	-1.0	-49.77	316.50	0.45	-49.32
CC1CC1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079636	0	35	-1.0	-49.62	304.12	0.54	-49.08
CC(C)=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079637	0	35	-1.0	-56.50	307.11	0.35	-56.15
CCCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079638	0	37	-1.0	-50.19	321.27	0.64	-49.55
CC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079639	0	34	-1.0	-48.97	296.88	-0.42	-49.39
CCC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079640	0	37	-1.0	-50.08	316.09	0.23	-49.85
C=CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079641	0	35	-1.0	-50.15	312.58	0.42	-49.73
CC(C#N)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079642	0	32	-1.0	-56.24	296.56	-0.80	-57.04
CC=C(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079643	0	35	-1.0	-56.84	311.41	0.21	-56.63
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079644	0	31	-1.0	-50.44	278.27	-0.90	-51.34
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079645	0	28	-1.0	-57.56	256.87	-1.78	-59.34
O=C(NC1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079646	0	32	-1.0	-49.71	288.38	-0.20	-49.91
O=C(NC1CCN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079647	0	35	-1.0	-49.97	304.88	0.36	-49.61
NC(=O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079648	0	29	-1.0	-51.39	270.68	-5.65	-57.04
CC(C)(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079649	0	37	-1.0	-50.22	306.24	-0.27	-50.49
CC1(C(=O)N2CCC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079650	0	35	-1.0	-49.52	306.42	0.16	-49.36
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079651	0	35	-1.0	-50.12	309.51	0.49	-49.63
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079652	0	35	-1.0	-49.36	308.07	0.46	-48.90
O=C(CO)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079653	0	29	-1.0	-62.58	268.90	-3.81	-66.39
O=C(NC1CCN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005079654	0	33	-1.0	-53.92	294.22	-1.41	-55.33
O=C(NC1CCN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079655	0	33	-1.0	-50.28	295.46	-2.43	-52.71
O=C(C=CCO)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079656	0	33	-1.0	-60.77	302.32	-3.72	-64.49
CCC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079657	0	35	-1.0	-57.24	312.30	0.39	-56.85
C#CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079658	0	33	-1.0	-50.09	305.55	0.37	-49.72
C=CC(O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079659	0	33	-1.0	-50.23	297.06	-2.71	-52.94
CC(O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079660	0	32	-1.0	-51.10	284.34	-3.23	-54.33
CC(=O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079661	0	30	-1.0	-51.70	277.12	-1.85	-53.55
O=C(NC1CCN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005079662	0	33	-1.0	-48.35	299.84	-3.62	-51.97
O=C(NC1CCN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005079663	0	33	-1.0	-51.16	294.54	0.20	-50.96
CC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079664	0	32	-1.0	-57.50	291.21	-0.36	-57.86
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079665	0	30	-1.0	-59.11	287.49	-5.01	-64.12
C[C@H](O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079666	0	32	-1.0	-49.78	283.44	-3.29	-53.07
CON=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079667	0	32	-1.0	-58.00	300.11	-2.42	-60.42
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079668	0	35	-1.0	-50.12	309.51	0.49	-49.63
C=C(C)CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079669	0	35	-1.0	-50.05	312.80	0.29	-49.76
C=CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079670	0	32	-1.0	-50.39	291.19	-0.36	-50.75
CN(C)CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079671	0	36	-1.0	-50.63	311.77	-2.60	-53.23
N#CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079672	0	29	-1.0	-65.66	277.89	-1.24	-66.90
O=C(CCF)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079673	0	31	-1.0	-49.19	284.86	-0.77	-49.96
C[C@@H](O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079674	0	32	-1.0	-50.01	283.37	-3.28	-53.29
C=C1CC1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079675	0	33	-1.0	-49.98	301.70	0.39	-49.59
CC1=CC1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079676	0	33	-1.0	-50.34	303.66	0.53	-49.81
C=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005079677	0	29	-1.0	-57.71	269.49	-1.25	-58.96
C[C@H](O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079678	0	32	-1.0	-57.55	285.09	-2.79	-60.34
C=C1CC1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079679	0	33	-1.0	-55.70	298.26	0.70	-55.00
C=C(C)CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079680	0	35	-1.0	-55.81	308.73	0.57	-55.24
CC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079681	0	32	-1.0	-58.00	288.45	-0.10	-58.10
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079682	0	35	-1.0	-58.26	306.91	0.70	-57.56
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079683	0	33	-1.0	-57.70	293.85	-3.05	-60.75
CC(=O)NC1CC12CCN(C(=O)c1nsnc1[O-])CC2	REAL250005079684	0	35	-1.0	-54.54	297.07	0.68	-53.86
CC(=O)N1CCC2(CC2NC(=O)c2nsnc2[O-])CC1	REAL250005079685	0	35	-1.0	-53.59	300.23	0.54	-53.05
CCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079686	0	34	-1.0	-46.87	299.80	-0.90	-47.77
CC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079687	0	31	-1.0	-47.25	279.51	-1.72	-48.97
O=C(NC(CNC(=O)C1CC1)C1CC1)c1nsnc1[O-]	REAL250005079688	0	35	-1.0	-47.07	307.37	0.41	-46.66
CCCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079689	0	37	-1.0	-46.56	321.30	-0.14	-46.70
CC(C)C(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079690	0	37	-1.0	-46.46	319.35	-0.24	-46.70
NC(=O)C(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079691	0	32	-1.0	-50.06	295.15	-5.57	-55.63
C=CCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079692	0	35	-1.0	-46.90	312.71	-0.36	-47.26
O=C(CO)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079693	0	32	-1.0	-50.51	290.27	-3.82	-54.33
CCCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079694	0	37	-1.0	-47.01	321.28	-0.04	-47.05
CC(C)C(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079695	0	37	-1.0	-46.86	316.03	0.40	-46.46
CCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079696	0	34	-1.0	-47.32	296.86	-0.28	-47.60
CC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079697	0	31	-1.0	-47.68	276.55	-1.09	-48.77
O=C(NCC(NC(=O)C1CC1)C1CC1)c1nsnc1[O-]	REAL250005079698	0	35	-1.0	-47.07	310.31	-0.03	-47.10
NC(=O)C(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079699	0	32	-1.0	-48.18	292.21	-4.93	-53.11
O=C(CO)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079700	0	32	-1.0	-51.06	290.25	-3.83	-54.89
CC(=O)C(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079701	0	33	-1.0	-47.04	298.60	-1.15	-48.19
CC=CC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079702	0	35	-1.0	-47.41	310.43	0.34	-47.07
C=CCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079703	0	35	-1.0	-47.31	312.69	-0.26	-47.57
N#CCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079704	0	32	-1.0	-53.98	299.24	-1.12	-55.10
C=CC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005079705	0	32	-1.0	-47.54	288.70	-0.54	-48.08
CC=CC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005079706	0	35	-1.0	-47.24	313.37	-0.29	-47.53
CC(=O)N1CCCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005079707	0	37	-1.0	-64.85	301.59	1.84	-63.01
CC(=O)N(C)CC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079708	0	37	-1.0	-55.41	302.34	1.77	-53.64
CCC(=O)N1C2CCC1CN(C(=O)c1nsnc1[O-])C2	REAL250005079709	0	35	-1.0	-50.30	290.25	2.15	-48.15
CC(=O)N1C2CCC1CN(C(=O)c1nsnc1[O-])C2	REAL250005079710	0	32	-1.0	-51.50	268.49	1.32	-50.18
O=C(CO)N1C2CCC1CN(C(=O)c1nsnc1[O-])C2	REAL250005079711	0	33	-1.0	-54.45	280.72	-0.73	-55.18
CCC(=O)N1CC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005079712	0	35	-1.0	-53.01	289.74	2.20	-50.81
CC(=O)N1CC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005079713	0	32	-1.0	-51.98	268.51	1.36	-50.62
O=C(CO)N1CC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005079714	0	33	-1.0	-57.14	280.29	-0.71	-57.85
C=CC(=O)N1CC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005079715	0	33	-1.0	-52.37	280.70	1.84	-50.53
CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079716	0	31	-1.0	-49.79	277.06	-0.93	-50.72
CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079717	0	28	-1.0	-56.79	256.64	-1.77	-58.56
O=C(N[C@H]1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079718	0	32	-1.0	-49.48	286.72	-0.22	-49.70
O=C(N[C@H]1CCN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079719	0	35	-1.0	-50.18	305.00	0.35	-49.83
O=C(CC1CC1)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079720	0	35	-1.0	-49.43	308.15	0.60	-48.83
COCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079721	0	32	-1.0	-59.85	290.97	-1.52	-61.37
CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079722	0	34	-1.0	-49.23	298.69	-0.16	-49.39
CC(C)CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079723	0	37	-1.0	-49.28	316.61	0.43	-48.85
CC1CC1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079724	0	35	-1.0	-49.39	308.93	0.48	-48.91
CC(C)=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079725	0	35	-1.0	-55.80	306.97	0.36	-55.44
CCCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079726	0	37	-1.0	-49.97	321.31	0.64	-49.33
CC(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079727	0	34	-1.0	-49.37	297.38	-0.43	-49.80
CCC(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079728	0	37	-1.0	-48.17	314.46	0.21	-47.96
C=CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079729	0	35	-1.0	-49.93	312.58	0.42	-49.51
CC=C(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079730	0	35	-1.0	-56.20	311.24	0.22	-55.98
CC1(C(=O)N2CC[C@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079731	0	35	-1.0	-48.40	302.07	0.09	-48.31
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079732	0	35	-1.0	-49.41	308.05	0.46	-48.95
C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079733	0	35	-1.0	-49.08	309.06	0.47	-48.61
NC(=O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079734	0	29	-1.0	-51.08	270.55	-5.63	-56.71
CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079735	0	37	-1.0	-48.86	306.03	-0.28	-49.14
C=CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079736	0	32	-1.0	-49.84	291.29	-0.38	-50.22
CN(C)CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079737	0	36	-1.0	-50.52	311.76	-2.61	-53.13
C=CC(O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079738	0	33	-1.0	-48.53	294.35	-2.51	-51.04
O=C(N[C@H]1CCN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079739	0	33	-1.0	-50.28	295.48	-2.43	-52.71
CCC=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079740	0	35	-1.0	-56.48	312.16	0.41	-56.07
[N-]=[N+]=NCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079741	0	30	-1.0	-59.07	287.50	-5.01	-64.08
O=C(CO)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079742	0	29	-1.0	-61.78	268.71	-3.80	-65.58
CC(O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079743	0	32	-1.0	-49.52	284.08	-3.25	-52.77
O=C(CCF)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079744	0	31	-1.0	-49.15	284.86	-0.77	-49.92
C#CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079745	0	33	-1.0	-50.10	305.55	0.37	-49.73
O=C(N[C@H]1CCN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005079746	0	33	-1.0	-53.55	294.75	-1.50	-55.05
CC1=CC1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079747	0	33	-1.0	-49.85	302.87	0.53	-49.32
C[C@@H](O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079748	0	32	-1.0	-53.07	284.57	-3.27	-56.34
O=C(C=CCO)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079749	0	33	-1.0	-59.99	302.18	-3.71	-63.70
O=C(N[C@H]1CCN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005079750	0	33	-1.0	-50.09	293.85	0.21	-49.88
CON=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079751	0	32	-1.0	-57.47	299.97	-2.40	-59.87
O=C(CC1CC1)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079752	0	35	-1.0	-56.54	305.19	0.88	-55.66
COCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079753	0	32	-1.0	-59.30	286.97	-1.29	-60.59
CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079754	0	34	-1.0	-58.53	296.57	0.01	-58.52
CC(C)CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079755	0	37	-1.0	-57.63	313.10	0.63	-57.00
CC1CC1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079756	0	35	-1.0	-58.31	306.97	0.69	-57.62
CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079757	0	35	-1.0	-55.38	303.71	0.66	-54.72
CCCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079758	0	37	-1.0	-58.57	318.02	0.81	-57.76
CC(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079759	0	34	-1.0	-56.11	293.80	0.01	-56.10
CCC(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079760	0	37	-1.0	-58.25	312.74	0.56	-57.69
C=CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079761	0	35	-1.0	-57.69	309.19	0.61	-57.08
CC(C#N)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079762	0	32	-1.0	-62.60	293.14	-0.35	-62.95
CC=C(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079763	0	35	-1.0	-56.46	302.57	0.63	-55.83
CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079764	0	31	-1.0	-58.43	274.95	-0.72	-59.15
CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079765	0	28	-1.0	-58.71	254.42	-1.55	-60.26
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005079766	0	32	-1.0	-55.78	284.69	0.12	-55.66
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005079767	0	35	-1.0	-58.46	301.72	0.53	-57.93
NC(=O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079768	0	29	-1.0	-53.87	269.55	-5.31	-59.18
CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079769	0	37	-1.0	-57.59	313.31	0.51	-57.08
CC1(C(=O)N[C@H]2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005079770	0	35	-1.0	-55.53	302.45	0.72	-54.81
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079771	0	35	-1.0	-58.05	306.85	0.72	-57.33
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079772	0	35	-1.0	-57.70	306.76	0.72	-56.98
O=C(CO)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079773	0	29	-1.0	-60.96	264.70	-3.58	-64.54
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079774	0	33	-1.0	-63.60	293.51	-1.12	-64.72
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005079775	0	33	-1.0	-56.54	291.59	-2.15	-58.69
O=C(C=CCO)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079776	0	33	-1.0	-61.28	299.60	-3.46	-64.74
CCC=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079777	0	35	-1.0	-58.33	309.67	0.63	-57.70
C#CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079778	0	33	-1.0	-57.80	302.16	0.56	-57.24
C=CC(O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079779	0	33	-1.0	-56.70	295.59	-2.05	-58.75
CC(O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079780	0	32	-1.0	-55.91	284.96	-2.79	-58.70
CC(=O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079781	0	30	-1.0	-52.98	276.45	-1.50	-54.48
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079782	0	33	-1.0	-57.46	293.77	-3.03	-60.49
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079783	0	33	-1.0	-56.36	294.63	0.63	-55.73
CC=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079784	0	32	-1.0	-57.98	288.45	-0.10	-58.08
[N-]=[N+]=NCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079785	0	30	-1.0	-61.44	284.13	-4.79	-66.23
C[C@H](O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079786	0	32	-1.0	-55.89	284.96	-2.79	-58.68
CON=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079787	0	32	-1.0	-58.68	296.73	-2.08	-60.76
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079788	0	35	-1.0	-58.05	306.85	0.72	-57.33
C=C(C)CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079789	0	35	-1.0	-58.17	309.50	0.48	-57.69
C=CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079790	0	32	-1.0	-58.40	287.86	-0.18	-58.58
CN(C)CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079791	0	36	-1.0	-58.94	308.57	-2.42	-61.36
N#CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079792	0	29	-1.0	-65.06	273.69	-0.98	-66.04
O=C(CCF)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079793	0	31	-1.0	-56.77	281.47	-0.58	-57.35
C[C@@H](O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079794	0	32	-1.0	-59.08	285.73	-2.86	-61.94
C=C1CC1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079795	0	33	-1.0	-57.73	298.96	0.62	-57.11
CC1=CC1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079796	0	33	-1.0	-58.64	300.47	0.76	-57.88
C=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005079797	0	29	-1.0	-56.05	266.05	-0.92	-56.97
C[C@H](O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079798	0	32	-1.0	-53.56	283.69	-3.31	-56.87
C=C1CC1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079799	0	33	-1.0	-50.00	301.66	0.39	-49.61
C=C(C)CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079800	0	35	-1.0	-49.12	311.77	0.26	-48.86
CC=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079801	0	32	-1.0	-56.76	291.08	-0.34	-57.10
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079802	0	35	-1.0	-49.41	308.05	0.46	-48.95
O=C(N[C@H]1CCN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005079803	0	33	-1.0	-48.90	299.32	-3.58	-52.48
CCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079804	0	31	-1.0	-53.86	281.21	-1.87	-55.73
CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079805	0	28	-1.0	-54.14	260.90	-2.68	-56.82
O=C(N[C@H]1C[C@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079806	0	32	-1.0	-50.64	291.76	-1.10	-51.74
O=C(N[C@H]1C[C@H](NC(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079807	0	35	-1.0	-53.64	308.01	-0.60	-54.24
O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079808	0	35	-1.0	-54.05	312.18	-0.33	-54.38
COCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079809	0	32	-1.0	-57.22	294.00	-2.52	-59.74
CCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079810	0	34	-1.0	-50.61	302.73	-1.10	-51.71
CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079811	0	37	-1.0	-50.17	319.45	-0.53	-50.70
CC1CC1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079812	0	35	-1.0	-53.55	313.13	-0.43	-53.98
CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079813	0	35	-1.0	-53.02	310.69	-0.56	-53.58
CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079814	0	37	-1.0	-53.77	324.23	-0.33	-54.10
CC(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079815	0	34	-1.0	-53.50	300.76	-1.21	-54.71
CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079816	0	37	-1.0	-50.21	318.88	-0.55	-50.76
C=CCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079817	0	35	-1.0	-50.70	315.57	-0.54	-51.24
CC=C(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079818	0	35	-1.0	-53.95	309.52	-0.57	-54.52
CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079819	0	35	-1.0	-50.50	309.54	-0.49	-50.99
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079820	0	35	-1.0	-50.57	313.10	-0.43	-51.00
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079821	0	35	-1.0	-53.63	313.14	-0.43	-54.06
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079822	0	29	-1.0	-51.78	276.56	-6.53	-58.31
CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079823	0	37	-1.0	-50.25	319.71	-0.64	-50.89
C=CCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079824	0	32	-1.0	-53.98	294.15	-1.33	-55.31
CN(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079825	0	36	-1.0	-54.24	314.72	-3.54	-57.78
C=CC(O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079826	0	33	-1.0	-54.12	302.60	-3.30	-57.42
O=C(N[C@H]1C[C@H](NC(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079827	0	33	-1.0	-56.56	298.45	-3.37	-59.93
CCC=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079828	0	35	-1.0	-53.77	315.93	-0.49	-54.26
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079829	0	30	-1.0	-56.37	290.32	-5.92	-62.29
O=C(CO)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079830	0	29	-1.0	-54.94	271.68	-4.80	-59.74
CC(O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079831	0	32	-1.0	-51.75	292.07	-4.02	-55.77
O=C(CCF)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079832	0	31	-1.0	-52.72	287.79	-1.73	-54.45
C#CCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079833	0	33	-1.0	-53.77	308.55	-0.58	-54.35
O=C(N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079834	0	33	-1.0	-52.60	299.80	-2.38	-54.98
CC1=CC1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079835	0	33	-1.0	-54.09	306.75	-0.39	-54.48
C[C@@H](O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079836	0	32	-1.0	-54.24	292.00	-4.02	-58.26
O=C(C=CCO)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079837	0	33	-1.0	-54.00	305.88	-4.61	-58.61
O=C(N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079838	0	33	-1.0	-54.45	302.27	-0.52	-54.97
CON=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079839	0	32	-1.0	-52.92	303.67	-3.29	-56.21
O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079840	0	35	-1.0	-54.05	312.18	-0.33	-54.38
COCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079841	0	32	-1.0	-57.22	294.00	-2.52	-59.74
CCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079842	0	34	-1.0	-50.61	302.73	-1.10	-51.71
CC(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079843	0	37	-1.0	-50.17	319.45	-0.53	-50.70
CC1CC1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079844	0	35	-1.0	-53.55	313.13	-0.43	-53.98
CC(C)=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079845	0	35	-1.0	-53.02	310.69	-0.56	-53.58
CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079846	0	37	-1.0	-53.77	324.23	-0.33	-54.10
CC(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079847	0	34	-1.0	-53.50	300.76	-1.21	-54.71
CCC(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079848	0	37	-1.0	-50.21	318.88	-0.55	-50.76
C=CCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079849	0	35	-1.0	-50.70	315.57	-0.54	-51.24
CC(C#N)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079850	0	32	-1.0	-55.51	300.19	-1.58	-57.09
CC=C(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079851	0	35	-1.0	-53.95	309.52	-0.57	-54.52
CCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079852	0	31	-1.0	-53.86	281.21	-1.87	-55.73
CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079853	0	28	-1.0	-54.14	260.90	-2.68	-56.82
O=C(N[C@H]1C[C@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079854	0	32	-1.0	-50.64	291.76	-1.10	-51.74
O=C(N[C@H]1C[C@H](NC(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079855	0	35	-1.0	-53.64	308.01	-0.60	-54.24
NC(=O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079856	0	29	-1.0	-51.78	276.56	-6.53	-58.31
CC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079857	0	37	-1.0	-50.25	319.71	-0.64	-50.89
CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079858	0	35	-1.0	-50.50	309.54	-0.49	-50.99
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079859	0	35	-1.0	-50.57	313.10	-0.43	-51.00
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079860	0	35	-1.0	-53.63	313.14	-0.43	-54.06
O=C(CO)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079861	0	29	-1.0	-54.94	271.68	-4.80	-59.74
O=C(N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079862	0	33	-1.0	-52.60	299.80	-2.38	-54.98
O=C(N[C@H]1C[C@H](NC(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079863	0	33	-1.0	-56.56	298.45	-3.37	-59.93
O=C(C=CCO)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079864	0	33	-1.0	-54.00	305.88	-4.61	-58.61
CCC=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079865	0	35	-1.0	-53.77	315.93	-0.49	-54.26
C#CCCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079866	0	33	-1.0	-53.77	308.55	-0.58	-54.35
C=CC(O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079867	0	33	-1.0	-54.12	302.60	-3.30	-57.42
CC(O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079868	0	32	-1.0	-51.75	292.07	-4.02	-55.77
CC(=O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079869	0	30	-1.0	-50.34	283.49	-2.73	-53.07
O=C(N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079870	0	33	-1.0	-53.03	300.04	-4.17	-57.20
O=C(N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079871	0	33	-1.0	-54.45	302.27	-0.52	-54.97
CC=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079872	0	32	-1.0	-51.02	294.78	-1.25	-52.27
[N-]=[N+]=NCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079873	0	30	-1.0	-56.37	290.32	-5.92	-62.29
C[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079874	0	32	-1.0	-50.83	292.02	-4.03	-54.86
CON=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079875	0	32	-1.0	-52.92	303.67	-3.29	-56.21
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079876	0	35	-1.0	-50.57	313.10	-0.43	-51.00
C=C(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079877	0	35	-1.0	-50.68	315.54	-0.69	-51.37
C=CCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079878	0	32	-1.0	-53.98	294.15	-1.33	-55.31
CN(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079879	0	36	-1.0	-54.24	314.72	-3.54	-57.78
N#CCC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079880	0	29	-1.0	-57.68	280.69	-2.20	-59.88
O=C(CCF)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079881	0	31	-1.0	-52.72	287.79	-1.73	-54.45
C[C@@H](O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079882	0	32	-1.0	-54.24	292.00	-4.02	-58.26
C=C1CC1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079883	0	33	-1.0	-51.01	305.35	-0.53	-51.54
CC1=CC1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079884	0	33	-1.0	-54.09	306.75	-0.39	-54.48
C=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079885	0	29	-1.0	-51.12	273.05	-2.14	-53.26
C[C@H](O)C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079886	0	32	-1.0	-50.83	292.02	-4.03	-54.86
C=C1CC1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079887	0	33	-1.0	-51.01	305.35	-0.53	-51.54
C=C(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079888	0	35	-1.0	-50.68	315.54	-0.69	-51.37
CC=CC(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079889	0	32	-1.0	-51.02	294.78	-1.25	-52.27
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005079890	0	35	-1.0	-50.57	313.10	-0.43	-51.00
O=C(N[C@H]1C[C@H](NC(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079891	0	33	-1.0	-53.03	300.04	-4.17	-57.20
CC(=O)NC1CC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005079892	0	35	-1.0	-52.52	290.00	0.30	-52.22
CC(=O)N1C2CCC1CC(NC(=O)c1nsnc1[O-])C2	REAL250005079893	0	35	-1.0	-48.58	291.42	-0.04	-48.62
CCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079894	0	31	-1.0	-50.18	276.03	-1.35	-51.53
CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079895	0	28	-1.0	-53.80	261.04	-2.72	-56.52
O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079896	0	32	-1.0	-53.25	291.89	-1.14	-54.39
O=C(N[C@H]1C[C@@H](NC(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079897	0	35	-1.0	-53.12	308.08	-0.63	-53.75
O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079898	0	35	-1.0	-53.64	312.29	-0.38	-54.02
COCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079899	0	32	-1.0	-56.60	294.09	-2.56	-59.16
CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079900	0	34	-1.0	-53.35	302.85	-1.15	-54.50
CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079901	0	37	-1.0	-52.91	319.58	-0.56	-53.47
CC1CC1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079902	0	35	-1.0	-48.16	310.26	0.25	-47.91
CC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079903	0	35	-1.0	-52.56	310.60	-0.61	-53.17
CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079904	0	37	-1.0	-47.37	321.31	0.37	-47.00
CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079905	0	34	-1.0	-53.01	300.90	-1.25	-54.26
CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079906	0	37	-1.0	-53.06	319.03	-0.60	-53.66
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079907	0	35	-1.0	-47.36	312.62	0.15	-47.21
CC=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079908	0	35	-1.0	-53.47	309.66	-0.62	-54.09
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079909	0	35	-1.0	-52.96	309.62	-0.53	-53.49
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079910	0	35	-1.0	-48.16	310.18	0.26	-47.90
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079911	0	35	-1.0	-53.14	313.26	-0.47	-53.61
NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079912	0	29	-1.0	-50.91	276.70	-6.58	-57.49
CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079913	0	37	-1.0	-52.96	319.78	-0.68	-53.64
C=CCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079914	0	32	-1.0	-48.25	291.22	-0.65	-48.90
CN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079915	0	36	-1.0	-50.47	309.52	-3.02	-53.49
C=CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079916	0	33	-1.0	-47.84	299.65	-2.60	-50.44
O=C(N[C@H]1C[C@@H](NC(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079917	0	33	-1.0	-53.62	298.70	-3.41	-57.03
CCC=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079918	0	35	-1.0	-50.34	310.69	0.02	-50.32
[N-]=[N+]=NCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079919	0	30	-1.0	-48.40	287.40	-5.23	-53.63
O=C(CO)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079920	0	29	-1.0	-52.15	268.76	-4.12	-56.27
CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079921	0	32	-1.0	-57.75	292.50	-4.08	-61.83
O=C(CCF)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079922	0	31	-1.0	-52.44	287.94	-1.78	-54.22
C#CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079923	0	33	-1.0	-47.96	305.57	0.10	-47.86
O=C(N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079924	0	33	-1.0	-48.98	295.85	-1.63	-50.61
CC1=CC1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079925	0	33	-1.0	-53.76	306.90	-0.44	-54.20
C[C@@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079926	0	32	-1.0	-57.79	292.50	-4.08	-61.87
O=C(C=CCO)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079927	0	33	-1.0	-56.74	306.06	-4.67	-61.41
O=C(N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079928	0	33	-1.0	-48.81	299.36	0.17	-48.64
CON=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079929	0	32	-1.0	-50.29	300.76	-2.61	-52.90
O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079930	0	35	-1.0	-53.64	312.29	-0.38	-54.02
COCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079931	0	32	-1.0	-56.60	294.09	-2.56	-59.16
CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079932	0	34	-1.0	-53.35	302.85	-1.15	-54.50
CC(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079933	0	37	-1.0	-52.91	319.58	-0.56	-53.47
CC1CC1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079934	0	35	-1.0	-48.16	310.26	0.25	-47.91
CC(C)=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079935	0	35	-1.0	-52.56	310.60	-0.61	-53.17
CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079936	0	37	-1.0	-47.37	321.31	0.37	-47.00
CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079937	0	34	-1.0	-53.01	300.90	-1.25	-54.26
CCC(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079938	0	37	-1.0	-53.06	319.03	-0.60	-53.66
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079939	0	35	-1.0	-47.36	312.62	0.15	-47.21
CC(C#N)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079940	0	32	-1.0	-60.48	300.36	-1.63	-62.11
CC=C(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079941	0	35	-1.0	-53.47	309.66	-0.62	-54.09
CCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079942	0	31	-1.0	-50.18	276.03	-1.35	-51.53
CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079943	0	28	-1.0	-53.80	261.04	-2.72	-56.52
O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005079944	0	32	-1.0	-53.25	291.89	-1.14	-54.39
O=C(N[C@H]1C[C@@H](NC(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005079945	0	35	-1.0	-53.12	308.08	-0.63	-53.75
NC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079946	0	29	-1.0	-50.91	276.70	-6.58	-57.49
CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079947	0	37	-1.0	-52.96	319.78	-0.68	-53.64
CC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005079948	0	35	-1.0	-52.96	309.62	-0.53	-53.49
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079949	0	35	-1.0	-48.16	310.18	0.26	-47.90
C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079950	0	35	-1.0	-53.14	313.26	-0.47	-53.61
O=C(CO)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079951	0	29	-1.0	-52.15	268.76	-4.12	-56.27
O=C(N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005079952	0	33	-1.0	-48.98	295.85	-1.63	-50.61
O=C(N[C@H]1C[C@@H](NC(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005079953	0	33	-1.0	-53.62	298.70	-3.41	-57.03
O=C(C=CCO)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079954	0	33	-1.0	-56.74	306.06	-4.67	-61.41
CCC=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079955	0	35	-1.0	-50.34	310.69	0.02	-50.32
C#CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079956	0	33	-1.0	-47.96	305.57	0.10	-47.86
C=CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079957	0	33	-1.0	-47.84	299.65	-2.60	-50.44
CC(O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079958	0	32	-1.0	-57.75	292.50	-4.08	-61.83
CC(=O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079959	0	30	-1.0	-50.13	284.12	-2.76	-52.89
O=C(N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079960	0	33	-1.0	-52.39	300.22	-4.23	-56.62
O=C(N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005079961	0	33	-1.0	-48.81	299.36	0.17	-48.64
CC=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079962	0	32	-1.0	-53.56	294.94	-1.31	-54.87
[N-]=[N+]=NCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079963	0	30	-1.0	-48.40	287.40	-5.23	-53.63
C[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079964	0	32	-1.0	-53.85	292.14	-4.06	-57.91
CON=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079965	0	32	-1.0	-50.29	300.76	-2.61	-52.90
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079966	0	35	-1.0	-48.16	310.18	0.26	-47.90
C=C(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079967	0	35	-1.0	-53.36	315.90	-0.72	-54.08
C=CCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079968	0	32	-1.0	-48.25	291.22	-0.65	-48.90
CN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079969	0	36	-1.0	-50.47	309.52	-3.02	-53.49
N#CCC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079970	0	29	-1.0	-56.62	275.49	-1.69	-58.31
O=C(CCF)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079971	0	31	-1.0	-52.44	287.94	-1.78	-54.22
C[C@@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079972	0	32	-1.0	-57.79	292.50	-4.08	-61.87
C=C1CC1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079973	0	33	-1.0	-50.31	300.10	-0.01	-50.32
CC1=CC1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079974	0	33	-1.0	-53.76	306.90	-0.44	-54.20
C=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079975	0	29	-1.0	-50.66	267.87	-1.63	-52.29
C[C@H](O)C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079976	0	32	-1.0	-53.85	292.14	-4.06	-57.91
C=C1CC1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079977	0	33	-1.0	-50.31	300.10	-0.01	-50.32
C=C(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079978	0	35	-1.0	-53.36	315.90	-0.72	-54.08
CC=CC(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079979	0	32	-1.0	-53.56	294.94	-1.31	-54.87
C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005079980	0	35	-1.0	-48.16	310.18	0.26	-47.90
O=C(N[C@H]1C[C@@H](NC(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005079981	0	33	-1.0	-52.39	300.22	-4.23	-56.62
CCC(=O)NCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079982	0	37	-1.0	-49.72	308.89	0.72	-49.00
CC(=O)NCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079983	0	34	-1.0	-49.92	287.98	-0.12	-50.04
CCC(=O)N1CCCC(CNC(=O)c2nsnc2[O-])C1	REAL250005079984	0	37	-1.0	-54.20	311.75	0.51	-53.69
CC(=O)N1CCCC(CNC(=O)c2nsnc2[O-])C1	REAL250005079985	0	34	-1.0	-54.38	289.70	-0.35	-54.73
C=CC(=O)N1CCCC(CNC(=O)c2nsnc2[O-])C1	REAL250005079986	0	35	-1.0	-54.49	302.50	0.20	-54.29
CCC(=O)N1CCCC(CNC(=O)c2nsnc2[O-])C1	REAL250005079987	0	37	-1.0	-54.20	311.75	0.51	-53.69
CC(=O)N1CCCC(CNC(=O)c2nsnc2[O-])C1	REAL250005079988	0	34	-1.0	-54.38	289.70	-0.35	-54.73
CCC(=O)NCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079989	0	37	-1.0	-49.72	308.89	0.72	-49.00
CC(=O)NCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079990	0	34	-1.0	-49.92	287.98	-0.12	-50.04
C=CC(=O)NCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005079991	0	35	-1.0	-50.46	300.74	0.43	-50.03
CCC(=O)NCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005079992	0	37	-1.0	-51.89	300.67	1.37	-50.52
CC(=O)NCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005079993	0	34	-1.0	-51.82	280.38	0.55	-51.27
CCC(=O)N1CCCCC1CNC(=O)c1nsnc1[O-]	REAL250005079994	0	37	-1.0	-59.25	305.05	0.49	-58.76
CC(=O)N1CCCCC1CNC(=O)c1nsnc1[O-]	REAL250005079995	0	34	-1.0	-59.35	284.74	-0.30	-59.65
C=CC(=O)N1CCCCC1CNC(=O)c1nsnc1[O-]	REAL250005079996	0	35	-1.0	-58.73	294.48	1.10	-57.63
CCC(=O)N1CCCCC1CNC(=O)c1nsnc1[O-]	REAL250005079997	0	37	-1.0	-59.25	305.05	0.49	-58.76
CC(=O)N1CCCCC1CNC(=O)c1nsnc1[O-]	REAL250005079998	0	34	-1.0	-59.35	284.74	-0.30	-59.65
CCC(=O)NCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005079999	0	37	-1.0	-51.89	300.67	1.37	-50.52
CC(=O)NCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005080000	0	34	-1.0	-51.82	280.38	0.55	-51.27
C=CC(=O)NCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005080001	0	35	-1.0	-52.64	292.52	1.12	-51.52
CC(=O)NC(C)C1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005080002	0	37	-1.0	-50.51	305.78	0.65	-49.86
CC(=O)N1CCCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005080003	0	37	-1.0	-56.32	308.90	0.48	-55.84
CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080004	0	32	-1.0	-53.40	284.88	0.10	-53.30
CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080005	0	29	-1.0	-53.69	264.32	-0.75	-54.44
O=C(N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21)C1CC1	REAL250005080006	0	33	-1.0	-53.54	295.47	0.79	-52.75
COCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080007	0	33	-1.0	-56.55	297.31	-0.59	-57.14
CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080008	0	35	-1.0	-53.24	306.08	0.82	-52.42
CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080009	0	35	-1.0	-52.82	304.16	0.74	-52.08
NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080010	0	30	-1.0	-51.69	280.21	-4.58	-56.27
C=CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080011	0	33	-1.0	-53.57	297.72	0.63	-52.94
O=C(CO)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080012	0	30	-1.0	-58.24	275.06	-2.87	-61.11
CC(O)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080013	0	33	-1.0	-54.17	295.39	-2.10	-56.27
C[C@@H](O)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080014	0	33	-1.0	-54.02	295.66	-2.07	-56.09
COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080015	0	33	-1.0	-52.68	300.77	-0.81	-53.49
CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080016	0	35	-1.0	-50.78	309.52	0.54	-50.24
CC(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080017	0	35	-1.0	-49.81	307.76	0.35	-49.46
CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080018	0	32	-1.0	-50.12	288.32	-0.20	-50.32
CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080019	0	29	-1.0	-50.33	266.76	-1.07	-51.40
O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC3)C[C@H]21)c1nsnc1[O-]	REAL250005080020	0	33	-1.0	-49.91	298.48	0.54	-49.37
NC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080021	0	30	-1.0	-48.80	280.52	-4.85	-53.65
O=C(CO)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080022	0	30	-1.0	-55.84	278.88	-3.11	-58.95
CC(O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080023	0	33	-1.0	-51.05	295.78	-2.53	-53.58
CC(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080024	0	31	-1.0	-48.03	287.92	-1.05	-49.08
CC=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080025	0	33	-1.0	-50.24	300.67	0.39	-49.85
C[C@H](O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080026	0	33	-1.0	-54.84	296.19	-2.55	-57.39
C=CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080027	0	33	-1.0	-51.06	300.93	0.32	-50.74
N#CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080028	0	30	-1.0	-59.32	287.87	-0.55	-59.87
C[C@@H](O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080029	0	33	-1.0	-54.81	296.38	-2.53	-57.34
C=CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005080030	0	30	-1.0	-50.39	278.66	-0.53	-50.92
C[C@H](O)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080031	0	33	-1.0	-54.44	295.75	-2.13	-56.57
CC=CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005080032	0	33	-1.0	-53.22	298.08	0.68	-52.54
CCC(=O)NC1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005080033	0	37	-1.0	-53.29	311.95	-0.24	-53.53
CC(=O)NC1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005080034	0	34	-1.0	-53.50	291.35	-1.04	-54.54
CCC(=O)NC1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005080035	0	37	-1.0	-53.29	311.95	-0.24	-53.53
CC(=O)NC1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005080036	0	34	-1.0	-53.50	291.35	-1.04	-54.54
C=CC(=O)NC1CCC(NC(=O)c2nsnc2[O-])CC1	REAL250005080037	0	35	-1.0	-53.44	303.80	-0.50	-53.94
CCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080038	0	30	-1.0	-47.06	274.80	-2.23	-49.29
COCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080039	0	34	-1.0	-47.32	308.48	-3.16	-50.48
CC(CNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005080040	0	31	-1.0	-47.11	285.32	-1.46	-48.57
CC(CNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005080041	0	34	-1.0	-46.69	301.52	-0.96	-47.65
CC(CNC(=O)C1CCCC1)NC(=O)c1nsnc1[O-]	REAL250005080042	0	37	-1.0	-46.47	317.86	-0.37	-46.84
CC(CNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005080043	0	34	-1.0	-46.95	305.74	-0.70	-47.65
CC(CNC(=O)C(C)(C)F)NC(=O)c1nsnc1[O-]	REAL250005080044	0	33	-1.0	-47.05	301.62	-1.59	-48.64
CC(CNC(=O)C(C)(F)F)NC(=O)c1nsnc1[O-]	REAL250005080045	0	30	-1.0	-46.73	286.65	-2.05	-48.78
COCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080046	0	31	-1.0	-49.35	287.53	-2.87	-52.22
CCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080047	0	33	-1.0	-46.85	296.30	-1.47	-48.32
CC(CNC(=O)c1ccco1)NC(=O)c1nsnc1[O-]	REAL250005080048	0	31	-1.0	-49.04	294.42	-1.93	-50.97
CC(C)CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080049	0	36	-1.0	-46.56	313.03	-0.88	-47.44
CC(CNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005080050	0	34	-1.0	-46.99	306.70	-0.79	-47.78
CCOCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080051	0	34	-1.0	-49.31	309.38	-1.91	-51.22
CC(C)=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080052	0	34	-1.0	-47.04	304.22	-0.94	-47.98
CSCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080053	0	31	-1.0	-48.45	297.87	-1.81	-50.26
CC(CNC(=O)c1ccc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005080054	0	32	-1.0	-48.19	297.31	-2.15	-50.34
CC(CNC(=O)c1ccoc1)NC(=O)c1nsnc1[O-]	REAL250005080055	0	31	-1.0	-49.13	293.58	-1.97	-51.10
CCCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080056	0	36	-1.0	-46.81	317.80	-0.69	-47.50
CC(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080057	0	33	-1.0	-46.70	294.35	-1.58	-48.28
CCC(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080058	0	36	-1.0	-46.54	312.47	-0.94	-47.48
CC(CNC(=O)c1cc[nH]n1)NC(=O)c1nsnc1[O-]	REAL250005080059	0	31	-1.0	-52.12	293.01	-3.49	-55.61
CC(CNC(=O)c1cn[nH]c1)NC(=O)c1nsnc1[O-]	REAL250005080060	0	31	-1.0	-50.02	292.30	-3.51	-53.53
CC(CNC(=O)c1ccon1)NC(=O)c1nsnc1[O-]	REAL250005080061	0	30	-1.0	-51.74	288.90	-2.69	-54.43
CCC=C(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080062	0	37	-1.0	-47.19	323.50	-0.19	-47.38
COC(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080063	0	34	-1.0	-48.80	307.31	-2.18	-50.98
C=CCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080064	0	34	-1.0	-46.82	309.11	-0.91	-47.73
CC(CNC(=O)c1cocn1)NC(=O)c1nsnc1[O-]	REAL250005080065	0	30	-1.0	-51.17	289.21	-5.34	-56.51
CC(CNC(=O)CCC1CC1)NC(=O)c1nsnc1[O-]	REAL250005080066	0	37	-1.0	-46.79	327.92	0.10	-46.69
CC(CNC(=O)C1CC=CC1)NC(=O)c1nsnc1[O-]	REAL250005080067	0	35	-1.0	-46.61	310.35	-0.47	-47.08
CC(CNC(=O)CC1CCC1)NC(=O)c1nsnc1[O-]	REAL250005080068	0	37	-1.0	-46.80	322.72	-0.18	-46.98
CC(CNC(=O)C(C)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005080069	0	37	-1.0	-46.65	323.65	-0.14	-46.79
CC=C(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080070	0	34	-1.0	-47.41	303.12	-0.97	-48.38
CC(CNC(=O)C1CC(C)C1)NC(=O)c1nsnc1[O-]	REAL250005080071	0	37	-1.0	-46.83	321.96	-0.33	-47.16
CC(CNC(=O)C=C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005080072	0	35	-1.0	-47.81	313.97	-0.25	-48.06
CC(CNC(=O)C1=CCCC1)NC(=O)c1nsnc1[O-]	REAL250005080073	0	35	-1.0	-47.45	311.41	-0.38	-47.83
CC(CNC(=O)C1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005080074	0	37	-1.0	-46.58	321.93	-0.25	-46.83
CC(CNC(=O)[C@H]1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005080075	0	37	-1.0	-46.61	321.93	-0.25	-46.86
C#CCCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080076	0	35	-1.0	-48.97	323.58	-0.17	-49.14
CCC(C)=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080077	0	37	-1.0	-46.80	325.96	-0.18	-46.98
CC(C)C#CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080078	0	35	-1.0	-48.68	324.20	-0.22	-48.90
CC(CNC(=O)C#CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005080079	0	33	-1.0	-48.95	313.87	-0.05	-49.00
C=C(C)CCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080080	0	37	-1.0	-46.71	330.46	-0.25	-46.96
CC(CNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005080081	0	34	-1.0	-46.90	303.07	-0.88	-47.78
CC(CNC(=O)c1c[nH]nn1)NC(=O)c1nsnc1[O-]	REAL250005080082	0	30	-1.0	-53.37	288.26	-4.94	-58.31
CC(CNC(=O)CC1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005080083	0	37	-1.0	-46.62	325.74	-0.21	-46.83
CC(CNC(=O)c1cnco1)NC(=O)c1nsnc1[O-]	REAL250005080084	0	30	-1.0	-49.08	289.21	-5.24	-54.32
C=CC(C)(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080085	0	37	-1.0	-46.58	322.00	-0.62	-47.20
CC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080086	0	34	-1.0	-47.00	306.71	-0.79	-47.79
CC(CNC(=O)C1(C)CCC1)NC(=O)c1nsnc1[O-]	REAL250005080087	0	37	-1.0	-46.72	319.20	-0.42	-47.14
CCC(F)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080088	0	33	-1.0	-47.12	302.58	-1.44	-48.56
CC(CNC(=O)CCCF)NC(=O)c1nsnc1[O-]	REAL250005080089	0	33	-1.0	-48.64	302.89	-1.34	-49.98
CC(CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080090	0	34	-1.0	-47.01	306.69	-0.79	-47.80
C=CCCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080091	0	37	-1.0	-47.05	330.61	-0.13	-47.18
CC(CNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005080092	0	28	-1.0	-50.02	270.15	-6.92	-56.94
CC(CNC(=O)CC1CC1C)NC(=O)c1nsnc1[O-]	REAL250005080093	0	37	-1.0	-46.95	327.12	-0.02	-46.97
CCC1(C(=O)NCC(C)NC(=O)c2nsnc2[O-])CC1	REAL250005080094	0	37	-1.0	-46.88	327.53	-0.27	-47.15
CC(CNC(=O)C(C)(C)C)NC(=O)c1nsnc1[O-]	REAL250005080095	0	36	-1.0	-46.50	313.24	-1.02	-47.52
CC[C@@H]1C[C@H]1C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080096	0	37	-1.0	-46.89	328.10	-0.03	-46.92
CC(CNC(=O)C1CC12CC2)NC(=O)c1nsnc1[O-]	REAL250005080097	0	35	-1.0	-47.38	317.77	0.00	-47.38
CC(CNC(=O)[C@@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005080098	0	32	-1.0	-52.24	299.25	-5.90	-58.14
CC(CNC(=O)[C@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005080099	0	32	-1.0	-51.83	299.75	-5.55	-57.38
C=CCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080100	0	31	-1.0	-47.10	287.72	-1.69	-48.79
CC(CNC(=O)CN(C)C)NC(=O)c1nsnc1[O-]	REAL250005080101	0	35	-1.0	-47.29	308.31	-3.91	-51.20
C=CC(O)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080102	0	32	-1.0	-47.19	296.16	-3.64	-50.83
CC(CNC(=O)C1COC1)NC(=O)c1nsnc1[O-]	REAL250005080103	0	32	-1.0	-47.29	292.13	-3.74	-51.03
CO[C@H](C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080104	0	34	-1.0	-48.76	307.32	-2.18	-50.94
CCC=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080105	0	34	-1.0	-47.34	309.47	-0.88	-48.22
CC(CNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005080106	0	29	-1.0	-48.25	283.91	-6.30	-54.55
CC(CNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005080107	0	28	-1.0	-50.73	265.27	-5.16	-55.89
CC(CNC(=O)C=CC(N)=O)NC(=O)c1nsnc1[O-]	REAL250005080108	0	32	-1.0	-51.99	304.77	-5.60	-57.59
CC(O)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080109	0	31	-1.0	-50.04	285.94	-4.40	-54.44
C=CCC(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080110	0	37	-1.0	-46.38	326.97	-0.34	-46.72
CC(CNC(=O)C1CC1F)NC(=O)c1nsnc1[O-]	REAL250005080111	0	31	-1.0	-49.86	291.53	-1.40	-51.26
CC(CNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005080112	0	30	-1.0	-46.65	281.39	-2.11	-48.76
CC(C(=O)NCC(C)NC(=O)c1nsnc1[O-])=C1CC1	REAL250005080113	0	35	-1.0	-47.90	317.59	-0.01	-47.91
CCC1CC1C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080114	0	37	-1.0	-46.62	322.64	-0.02	-46.64
CC(CNC(=O)C=CCF)NC(=O)c1nsnc1[O-]	REAL250005080115	0	31	-1.0	-48.44	294.56	-1.52	-49.96
C#CCCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080116	0	32	-1.0	-47.47	302.09	-0.95	-48.42
CC(CNC(=O)CN1CCC1)NC(=O)c1nsnc1[O-]	REAL250005080117	0	36	-1.0	-48.11	316.17	-4.32	-52.43
C#C[C@H]1C[C@H]1C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080118	0	33	-1.0	-49.16	308.19	-0.30	-49.46
CC(CNC(=O)C1C2CCC21)NC(=O)c1nsnc1[O-]	REAL250005080119	0	35	-1.0	-47.06	308.05	-0.13	-47.19
C=C1CCC1C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080120	0	35	-1.0	-46.25	314.36	-0.50	-46.75
CC(CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080121	0	37	-1.0	-46.21	315.49	-0.30	-46.51
CC=CC=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080122	0	35	-1.0	-47.67	323.55	-0.20	-47.87
CC(CNC(=O)C1CCO1)NC(=O)c1nsnc1[O-]	REAL250005080123	0	32	-1.0	-48.68	292.33	-2.68	-51.36
CC(CNC(=O)CCN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005080124	0	32	-1.0	-46.53	304.96	-5.63	-52.16
C#CCOCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080125	0	33	-1.0	-51.68	315.17	-1.38	-53.06
CC(CNC(=O)C(C)(C)O)NC(=O)c1nsnc1[O-]	REAL250005080126	0	34	-1.0	-47.37	305.28	-4.82	-52.19
CC1=CC1C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080127	0	32	-1.0	-48.31	300.37	-0.77	-49.08
C=C1CC(C(=O)NCC(C)NC(=O)c2nsnc2[O-])C1	REAL250005080128	0	35	-1.0	-46.58	315.05	-0.44	-47.02
CC(CNC(=O)c1cnc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005080129	0	31	-1.0	-48.92	292.13	-2.40	-51.32
CC(CNC(=O)C1=CCCO1)NC(=O)c1nsnc1[O-]	REAL250005080130	0	33	-1.0	-48.85	302.91	-2.36	-51.21
CC(CNC(=O)[C@@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005080131	0	31	-1.0	-47.41	285.60	-4.38	-51.79
CC(CNC(=O)C=CCO)NC(=O)c1nsnc1[O-]	REAL250005080132	0	32	-1.0	-49.85	299.48	-5.00	-54.85
COC(F)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080133	0	31	-1.0	-48.77	293.42	-3.41	-52.18
CC(CNC(=O)C12CC1CC2)NC(=O)c1nsnc1[O-]	REAL250005080134	0	35	-1.0	-46.91	313.74	-0.27	-47.18
C=C[C@H](C)CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080135	0	37	-1.0	-46.46	325.81	-0.35	-46.81
CC(CNC(=O)C=CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005080136	0	35	-1.0	-47.27	320.36	-0.06	-47.33
CC=C(CC)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080137	0	37	-1.0	-47.31	324.15	-0.26	-47.57
CC(CNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005080138	0	32	-1.0	-48.06	295.81	-0.90	-48.96
CON=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080139	0	31	-1.0	-49.07	297.27	-3.67	-52.74
CC(CNC(=O)C1(F)CC1)NC(=O)c1nsnc1[O-]	REAL250005080140	0	31	-1.0	-47.59	291.39	-1.42	-49.01
CC(CNC(=O)C1=NOCC1)NC(=O)c1nsnc1[O-]	REAL250005080141	0	32	-1.0	-49.99	298.85	-3.39	-53.38
C#CC(C)(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080142	0	35	-1.0	-48.19	319.06	-0.58	-48.77
CC(CNC(=O)c1ncc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005080143	0	31	-1.0	-52.04	293.25	-3.20	-55.24
CCCC=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080144	0	37	-1.0	-47.18	330.97	-0.10	-47.28
CC=C(F)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080145	0	31	-1.0	-47.44	293.35	-1.57	-49.01
CC(CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005080146	0	34	-1.0	-48.00	305.75	-0.71	-48.71
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)F	REAL250005080147	0	33	-1.0	-46.65	300.48	-1.52	-48.17
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)(F)F	REAL250005080148	0	30	-1.0	-46.17	286.66	-2.06	-48.23
COCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080149	0	31	-1.0	-50.58	287.53	-2.88	-53.46
CCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080150	0	33	-1.0	-47.88	296.30	-1.48	-49.36
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1ccco1	REAL250005080151	0	31	-1.0	-49.16	294.42	-1.93	-51.09
CC(C)CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080152	0	36	-1.0	-47.48	313.03	-0.89	-48.37
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005080153	0	34	-1.0	-47.85	306.70	-0.81	-48.66
CCOCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080154	0	34	-1.0	-50.58	309.38	-1.92	-52.50
CC(C)=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080155	0	34	-1.0	-47.58	304.49	-0.93	-48.51
CSCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080156	0	31	-1.0	-49.70	297.87	-1.82	-51.52
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1ccc[nH]1	REAL250005080157	0	32	-1.0	-49.71	297.31	-2.15	-51.86
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1ccoc1	REAL250005080158	0	31	-1.0	-50.47	293.59	-1.96	-52.43
CCCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080159	0	36	-1.0	-47.88	317.80	-0.70	-48.58
CC(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080160	0	33	-1.0	-47.65	294.36	-1.57	-49.22
CCC(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080161	0	36	-1.0	-47.56	312.48	-0.93	-48.49
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cc[nH]n1	REAL250005080162	0	31	-1.0	-51.80	293.01	-3.48	-55.28
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cn[nH]c1	REAL250005080163	0	31	-1.0	-50.31	292.30	-3.50	-53.81
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1ccon1	REAL250005080164	0	30	-1.0	-50.88	288.90	-2.69	-53.57
CCC=C(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080165	0	37	-1.0	-47.92	323.51	-0.16	-48.08
COC(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080166	0	34	-1.0	-50.07	307.31	-2.17	-52.24
C=CCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080167	0	34	-1.0	-47.74	309.12	-0.92	-48.66
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cocn1	REAL250005080168	0	30	-1.0	-50.59	289.21	-5.34	-55.93
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)C#N	REAL250005080169	0	31	-1.0	-52.76	293.78	-1.95	-54.71
CC(CNC(=O)c1nsnc1[O-])NC(=O)CCC1CC1	REAL250005080170	0	37	-1.0	-47.89	327.92	0.08	-47.81
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC=CC1	REAL250005080171	0	35	-1.0	-47.50	310.34	-0.48	-47.98
CC(CNC(=O)c1nsnc1[O-])NC(=O)CC1CCC1	REAL250005080172	0	37	-1.0	-47.88	322.72	-0.19	-48.07
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)C1CC1	REAL250005080173	0	37	-1.0	-47.29	324.31	-0.09	-47.38
CC=C(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080174	0	34	-1.0	-48.18	303.12	-0.94	-49.12
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC(C)C1	REAL250005080175	0	37	-1.0	-47.59	322.54	-0.32	-47.91
CC(CNC(=O)c1nsnc1[O-])NC(=O)C=C1CCC1	REAL250005080176	0	35	-1.0	-48.34	313.97	-0.24	-48.58
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCC1	REAL250005080177	0	35	-1.0	-48.09	311.39	-0.37	-48.46
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1(C)C	REAL250005080178	0	37	-1.0	-47.33	321.92	-0.26	-47.59
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC1(C)C	REAL250005080179	0	37	-1.0	-47.31	321.93	-0.26	-47.57
C#CCCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080180	0	35	-1.0	-50.26	323.58	-0.18	-50.44
CCC(C)=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080181	0	37	-1.0	-47.29	325.96	-0.17	-47.46
CC(C)C#CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080182	0	35	-1.0	-48.97	324.20	-0.20	-49.17
CC(CNC(=O)c1nsnc1[O-])NC(=O)C#CC1CC1	REAL250005080183	0	33	-1.0	-49.34	313.87	-0.03	-49.37
CCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080184	0	30	-1.0	-48.05	274.81	-2.25	-50.30
COCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080185	0	34	-1.0	-48.03	308.48	-3.18	-51.21
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005080186	0	31	-1.0	-47.95	285.33	-1.48	-49.43
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005080187	0	34	-1.0	-47.66	301.54	-0.97	-48.63
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CCCC1	REAL250005080188	0	37	-1.0	-47.52	318.58	-0.36	-47.88
C=CCCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080189	0	37	-1.0	-48.15	330.61	-0.14	-48.29
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005080190	0	28	-1.0	-48.90	270.15	-6.90	-55.80
CC(CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1C	REAL250005080191	0	37	-1.0	-48.02	327.12	-0.03	-48.05
CCC1(C(=O)NC(C)CNC(=O)c2nsnc2[O-])CC1	REAL250005080192	0	37	-1.0	-47.54	327.90	-0.28	-47.82
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)C	REAL250005080193	0	36	-1.0	-47.49	313.24	-1.00	-48.49
C=C(C)CCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080194	0	37	-1.0	-47.51	330.76	-0.25	-47.76
CC[C@@H]1C[C@H]1C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080195	0	37	-1.0	-47.79	328.11	-0.04	-47.83
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC12CC2	REAL250005080196	0	35	-1.0	-48.12	317.78	-0.01	-48.13
CC(CNC(=O)c1nsnc1[O-])NC(=O)CC1(C)CC1	REAL250005080197	0	37	-1.0	-47.69	325.74	-0.20	-47.89
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005080198	0	34	-1.0	-47.70	303.08	-0.87	-48.57
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cc[nH]c1	REAL250005080199	0	32	-1.0	-52.31	297.44	-2.07	-54.38
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cnco1	REAL250005080200	0	30	-1.0	-49.42	289.21	-5.22	-54.64
C=CC(C)(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080201	0	37	-1.0	-47.50	322.00	-0.61	-48.11
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005080202	0	34	-1.0	-47.87	306.70	-0.81	-48.68
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CCC1	REAL250005080203	0	37	-1.0	-47.64	319.21	-0.41	-48.05
CCC(F)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080204	0	33	-1.0	-48.70	302.58	-1.44	-50.14
CC(CNC(=O)c1nsnc1[O-])NC(=O)CCCF	REAL250005080205	0	33	-1.0	-49.97	302.89	-1.34	-51.31
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005080206	0	34	-1.0	-47.87	306.71	-0.81	-48.68
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1c[nH]nn1	REAL250005080207	0	30	-1.0	-51.97	288.26	-4.93	-56.90
CC(CNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005080208	0	28	-1.0	-52.14	265.28	-5.16	-57.30
CC(CNC(=O)c1nsnc1[O-])NC(=O)C=CC(N)=O	REAL250005080209	0	32	-1.0	-51.65	304.77	-5.60	-57.25
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CCO1	REAL250005080210	0	32	-1.0	-51.21	293.70	-2.72	-53.93
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCO1	REAL250005080211	0	33	-1.0	-48.37	302.91	-2.35	-50.72
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1COC1	REAL250005080212	0	32	-1.0	-50.53	292.08	-3.74	-54.27
CC(CNC(=O)c1nsnc1[O-])NC(=O)C=CCO	REAL250005080213	0	32	-1.0	-50.85	299.48	-4.98	-55.83
CCC=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080214	0	34	-1.0	-47.98	309.47	-0.86	-48.84
CC(CNC(=O)c1nsnc1[O-])NC(=O)CCN=[N+]=[N-]	REAL250005080215	0	32	-1.0	-47.30	304.95	-5.63	-52.93
C#CCOCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080216	0	33	-1.0	-53.07	315.17	-1.39	-54.46
C#CCCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080217	0	32	-1.0	-48.30	302.09	-0.96	-49.26
CC=CC=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080218	0	35	-1.0	-48.36	323.54	-0.20	-48.56
C#CCC(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080219	0	35	-1.0	-47.78	319.96	-0.39	-48.17
C=CC(O)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080220	0	32	-1.0	-47.92	298.81	-3.84	-51.76
CC(CNC(=O)c1nsnc1[O-])NC(=O)C12CC1CC2	REAL250005080221	0	35	-1.0	-47.87	313.75	-0.27	-48.14
C=C[C@H](C)CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080222	0	37	-1.0	-47.45	325.82	-0.36	-47.81
CC(CNC(=O)c1nsnc1[O-])NC(=O)C=CC1CC1	REAL250005080223	0	35	-1.0	-48.02	320.36	-0.04	-48.06
CCC(C#N)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080224	0	34	-1.0	-51.38	314.41	-1.30	-52.68
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1C2CCC21	REAL250005080225	0	35	-1.0	-47.92	308.05	-0.14	-48.06
C=C1CCC1C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080226	0	35	-1.0	-48.02	315.08	-0.47	-48.49
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1[C@H](C)[C@@H]1C	REAL250005080227	0	37	-1.0	-46.96	315.49	-0.30	-47.26
CC(O)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080228	0	31	-1.0	-51.51	285.95	-4.40	-55.91
CC(=O)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080229	0	29	-1.0	-47.73	276.55	-3.12	-50.85
CC(CNC(=O)c1nsnc1[O-])NC(=O)CCCC#N	REAL250005080230	0	34	-1.0	-55.08	317.16	-0.96	-56.04
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1(C#N)CC1	REAL250005080231	0	32	-1.0	-50.95	304.59	-1.22	-52.17
C=C1CC(C(=O)NC(C)CNC(=O)c2nsnc2[O-])C1	REAL250005080232	0	35	-1.0	-47.45	315.05	-0.45	-47.90
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1(F)CC1	REAL250005080233	0	31	-1.0	-47.49	291.39	-1.40	-48.89
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)CC#N	REAL250005080234	0	34	-1.0	-49.41	313.53	-1.21	-50.62
CCC1CC1C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080235	0	37	-1.0	-47.41	322.64	-0.03	-47.44
CCCC=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080236	0	37	-1.0	-47.86	330.97	-0.08	-47.94
CC=C(F)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080237	0	31	-1.0	-47.05	293.35	-1.55	-48.60
CC(=O)C=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080238	0	33	-1.0	-50.02	311.77	-1.75	-51.77
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1ncc[nH]1	REAL250005080239	0	31	-1.0	-51.05	293.26	-3.20	-54.25
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)CO	REAL250005080240	0	34	-1.0	-48.16	304.94	-4.86	-53.02
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cnoc1	REAL250005080241	0	30	-1.0	-48.71	288.53	-2.52	-51.23
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(=O)C1CC1	REAL250005080242	0	33	-1.0	-47.55	308.14	-1.52	-49.07
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005080243	0	32	-1.0	-56.62	302.29	-1.17	-57.79
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1=COCC1	REAL250005080244	0	33	-1.0	-48.42	301.50	-2.39	-50.81
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1(O)CC1	REAL250005080245	0	32	-1.0	-47.90	293.64	-4.54	-52.44
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005080246	0	32	-1.0	-48.69	295.80	-0.89	-49.58
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)CF	REAL250005080247	0	33	-1.0	-46.83	300.15	-1.45	-48.28
CC=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080248	0	31	-1.0	-48.26	288.38	-1.62	-49.88
CC(CNC(=O)c1nsnc1[O-])NC(=O)C=CCF	REAL250005080249	0	31	-1.0	-49.40	294.56	-1.50	-50.90
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1ccno1	REAL250005080250	0	30	-1.0	-48.47	288.91	-2.51	-50.98
CC(CNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005080251	0	29	-1.0	-49.70	283.92	-6.29	-55.99
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005080252	0	31	-1.0	-48.75	285.61	-4.38	-53.13
CON=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080253	0	31	-1.0	-49.95	297.27	-3.65	-53.60
C#CC1(C(=O)NC(C)CNC(=O)c2nsnc2[O-])CC1	REAL250005080254	0	33	-1.0	-47.58	311.01	-0.40	-47.98
C=CC=CCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080255	0	35	-1.0	-48.47	322.97	-0.28	-48.75
C#C[C@H]1C[C@H]1C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080256	0	33	-1.0	-50.30	308.19	-0.31	-50.61
CC=C(CC)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080257	0	37	-1.0	-48.07	324.16	-0.23	-48.30
COC(F)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080258	0	31	-1.0	-50.24	293.43	-3.40	-53.64
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C#N	REAL250005080259	0	32	-1.0	-49.52	306.32	-1.06	-50.58
C=CCC(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080260	0	37	-1.0	-47.31	326.98	-0.34	-47.65
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005080261	0	34	-1.0	-47.87	306.70	-0.81	-48.68
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)O	REAL250005080262	0	34	-1.0	-47.63	305.29	-4.83	-52.46
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1=NOCC1	REAL250005080263	0	32	-1.0	-48.70	298.86	-3.38	-52.08
CC(C#N)CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080264	0	34	-1.0	-49.22	312.35	-1.21	-50.43
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H](O)CF	REAL250005080265	0	31	-1.0	-48.64	291.89	-4.21	-52.85
C=C(C)CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080266	0	34	-1.0	-48.00	309.33	-1.05	-49.05
CC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)C#N	REAL250005080267	0	34	-1.0	-51.81	312.63	-1.44	-53.25
CC(C)=C(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080268	0	37	-1.0	-47.53	318.20	-0.25	-47.78
C=CCC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080269	0	31	-1.0	-48.01	287.72	-1.71	-49.72
CC(CNC(=O)c1nsnc1[O-])NC(=O)CN(C)C	REAL250005080270	0	35	-1.0	-48.29	308.31	-3.91	-52.20
CC(CNC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005080271	0	28	-1.0	-55.01	274.27	-2.57	-57.58
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1F	REAL250005080272	0	31	-1.0	-50.73	291.53	-1.41	-52.14
CC(CNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005080273	0	30	-1.0	-47.43	281.40	-2.11	-49.54
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1C=CCC1	REAL250005080274	0	35	-1.0	-47.57	310.37	-0.44	-48.01
C#CC(C)(C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080275	0	35	-1.0	-49.43	319.06	-0.57	-50.00
CO[C@H](C)C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080276	0	34	-1.0	-50.20	307.35	-2.18	-52.38
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H](C)O	REAL250005080277	0	31	-1.0	-51.35	285.95	-4.40	-55.75
CC(CNC(=O)c1nsnc1[O-])NC(=O)CN1CCC1	REAL250005080278	0	36	-1.0	-48.87	316.17	-4.32	-53.19
C=C1CC1C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080279	0	32	-1.0	-48.17	298.90	-0.91	-49.08
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC(=O)N1	REAL250005080280	0	32	-1.0	-53.63	299.76	-5.56	-59.19
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1CC(=O)N1	REAL250005080281	0	32	-1.0	-53.99	299.21	-5.67	-59.66
CC(CNC(=O)c1nsnc1[O-])NC(=O)c1cnc[nH]1	REAL250005080282	0	31	-1.0	-50.59	292.13	-2.40	-52.99
CC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC(=O)C1	REAL250005080283	0	33	-1.0	-49.60	304.27	-1.88	-51.48
CC(C(=O)NC(C)CNC(=O)c1nsnc1[O-])=C1CC1	REAL250005080284	0	35	-1.0	-48.68	317.59	0.01	-48.67
CC1=CC1C(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080285	0	32	-1.0	-49.05	300.37	-0.77	-49.82
CC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC(=O)N1	REAL250005080286	0	32	-1.0	-54.24	299.27	-5.89	-60.13
C=CC(=O)NC(C)CNC(=O)c1nsnc1[O-]	REAL250005080287	0	28	-1.0	-48.49	266.66	-2.51	-51.00
CC(CNC(=O)C(C)CO)NC(=O)c1nsnc1[O-]	REAL250005080288	0	34	-1.0	-47.40	304.94	-4.87	-52.27
CC(CNC(=O)c1cnoc1)NC(=O)c1nsnc1[O-]	REAL250005080289	0	30	-1.0	-48.40	288.53	-2.52	-50.92
C#CC1(C(=O)NCC(C)NC(=O)c2nsnc2[O-])CC1	REAL250005080290	0	33	-1.0	-47.60	311.02	-0.41	-48.01
CC(CNC(=O)C1=COCC1)NC(=O)c1nsnc1[O-]	REAL250005080291	0	33	-1.0	-47.60	301.50	-2.40	-50.00
CC(CNC(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005080292	0	31	-1.0	-47.41	285.61	-4.38	-51.79
CC(CNC(=O)C1C=CCC1)NC(=O)c1nsnc1[O-]	REAL250005080293	0	35	-1.0	-46.87	310.37	-0.45	-47.32
C=C1CC1C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080294	0	32	-1.0	-47.43	298.90	-0.89	-48.32
CC(CNC(=O)C(C)CF)NC(=O)c1nsnc1[O-]	REAL250005080295	0	33	-1.0	-46.08	300.15	-1.46	-47.54
C=C(C)CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080296	0	34	-1.0	-46.95	309.33	-1.04	-47.99
CC(C)=C(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080297	0	37	-1.0	-47.63	325.61	-0.51	-48.14
CC=CC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080298	0	31	-1.0	-47.49	288.38	-1.64	-49.13
CC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080299	0	34	-1.0	-47.00	306.71	-0.79	-47.79
C=CC=CCC(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080300	0	35	-1.0	-47.57	322.97	-0.27	-47.84
C#CCC(C)C(=O)NCC(C)NC(=O)c1nsnc1[O-]	REAL250005080301	0	35	-1.0	-46.92	319.95	-0.40	-47.32
CC(CNC(=O)[C@H](O)CF)NC(=O)c1nsnc1[O-]	REAL250005080302	0	31	-1.0	-48.32	291.91	-4.22	-52.54
CC(CNC(=O)C1(O)CC1)NC(=O)c1nsnc1[O-]	REAL250005080303	0	32	-1.0	-46.82	293.64	-4.55	-51.37
CC(CNC(=O)C1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005080304	0	32	-1.0	-51.58	299.67	-5.77	-57.35
CC(CNC(=O)c1ccno1)NC(=O)c1nsnc1[O-]	REAL250005080305	0	30	-1.0	-49.14	288.90	-2.52	-51.66
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080306	0	31	-1.0	-50.44	278.27	-0.90	-51.34
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080307	0	28	-1.0	-57.56	256.87	-1.78	-59.34
O=C(NC1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005080308	0	32	-1.0	-49.71	288.38	-0.20	-49.91
O=C(NC1CCN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005080309	0	35	-1.0	-49.97	304.88	0.36	-49.61
O=C(CC1CC1)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080310	0	35	-1.0	-49.45	308.13	0.60	-48.85
COCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080311	0	32	-1.0	-60.61	291.15	-1.53	-62.14
CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080312	0	34	-1.0	-50.14	299.77	-0.14	-50.28
CC(C)CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080313	0	37	-1.0	-49.77	316.50	0.45	-49.32
CC1CC1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080314	0	35	-1.0	-49.62	304.12	0.54	-49.08
CC(C)=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080315	0	35	-1.0	-56.50	307.11	0.35	-56.15
CCCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080316	0	37	-1.0	-50.19	321.27	0.64	-49.55
CC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080317	0	34	-1.0	-48.97	296.88	-0.42	-49.39
CCC(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080318	0	37	-1.0	-50.08	316.09	0.23	-49.85
C=CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080319	0	35	-1.0	-50.15	312.58	0.42	-49.73
CC=C(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080320	0	35	-1.0	-56.84	311.41	0.21	-56.63
CC1(C(=O)N2CCC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005080321	0	35	-1.0	-49.52	306.42	0.16	-49.36
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080322	0	35	-1.0	-50.12	309.51	0.49	-49.63
C[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080323	0	35	-1.0	-49.36	308.07	0.46	-48.90
NC(=O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080324	0	29	-1.0	-51.39	270.68	-5.65	-57.04
CC(C)(C)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080325	0	37	-1.0	-50.22	306.24	-0.27	-50.49
C=CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080326	0	32	-1.0	-50.39	291.19	-0.36	-50.75
CN(C)CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080327	0	36	-1.0	-50.63	311.77	-2.60	-53.23
C=CC(O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080328	0	33	-1.0	-50.23	297.06	-2.71	-52.94
O=C(NC1CCN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005080329	0	33	-1.0	-50.28	295.46	-2.43	-52.71
CCC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080330	0	35	-1.0	-57.24	312.30	0.39	-56.85
[N-]=[N+]=NCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080331	0	30	-1.0	-59.11	287.49	-5.01	-64.12
O=C(CO)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080332	0	29	-1.0	-62.58	268.90	-3.81	-66.39
CC(O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080333	0	32	-1.0	-51.10	284.34	-3.23	-54.33
O=C(CCF)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080334	0	31	-1.0	-49.19	284.86	-0.77	-49.96
C#CCCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080335	0	33	-1.0	-50.09	305.55	0.37	-49.72
O=C(NC1CCN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005080336	0	33	-1.0	-53.92	294.22	-1.41	-55.33
CC1=CC1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080337	0	33	-1.0	-50.34	303.66	0.53	-49.81
C[C@@H](O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080338	0	32	-1.0	-50.01	283.37	-3.28	-53.29
O=C(C=CCO)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080339	0	33	-1.0	-60.77	302.32	-3.72	-64.49
O=C(NC1CCN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005080340	0	33	-1.0	-51.16	294.54	0.20	-50.96
CON=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080341	0	32	-1.0	-58.00	300.11	-2.42	-60.42
O=C(CC1CC1)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080342	0	35	-1.0	-58.65	305.88	0.82	-57.83
COCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080343	0	32	-1.0	-58.99	286.89	-1.28	-60.27
CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080344	0	34	-1.0	-55.73	295.67	0.13	-55.60
CC(C)CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080345	0	37	-1.0	-55.40	312.39	0.71	-54.69
CC1CC1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080346	0	35	-1.0	-57.75	306.77	0.73	-57.02
CC(C)=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080347	0	35	-1.0	-57.06	304.56	0.59	-56.47
CCCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080348	0	37	-1.0	-55.85	317.16	0.91	-54.94
CC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080349	0	34	-1.0	-55.44	293.72	0.03	-55.41
CCC(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080350	0	37	-1.0	-57.75	312.55	0.59	-57.16
C=CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080351	0	35	-1.0	-55.51	308.48	0.69	-54.82
CC(C#N)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080352	0	32	-1.0	-62.48	293.14	-0.35	-62.83
CC=C(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080353	0	35	-1.0	-58.07	303.19	0.57	-57.50
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080354	0	31	-1.0	-55.99	274.17	-0.64	-56.63
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080355	0	28	-1.0	-58.27	254.59	-1.53	-59.80
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005080356	0	32	-1.0	-55.78	284.70	0.12	-55.66
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005080357	0	35	-1.0	-58.51	301.77	0.53	-57.98
NC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080358	0	29	-1.0	-54.35	270.23	-5.40	-59.75
CC(C)(C)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080359	0	37	-1.0	-57.62	313.32	0.51	-57.11
CC1(C(=O)NC2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005080360	0	35	-1.0	-57.56	303.16	0.65	-56.91
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080361	0	35	-1.0	-58.26	306.91	0.70	-57.56
C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080362	0	35	-1.0	-56.13	306.19	0.79	-55.34
O=C(CO)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080363	0	29	-1.0	-60.63	264.64	-3.56	-64.19
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005080364	0	33	-1.0	-60.52	293.17	-1.11	-61.63
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005080365	0	33	-1.0	-58.06	292.24	-2.21	-60.27
O=C(C=CCO)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080366	0	33	-1.0	-61.87	299.56	-3.46	-65.33
CCC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080367	0	35	-1.0	-57.94	309.54	0.66	-57.28
C#CCCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080368	0	33	-1.0	-55.79	301.45	0.64	-55.15
C=CC(O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080369	0	33	-1.0	-56.47	295.52	-2.06	-58.53
CC(O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080370	0	32	-1.0	-55.89	284.96	-2.79	-58.68
CC(=O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080371	0	30	-1.0	-53.69	277.62	-1.57	-55.26
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005080372	0	33	-1.0	-57.70	293.85	-3.05	-60.75
O=C(NC1CCN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005080373	0	33	-1.0	-58.48	295.88	0.62	-57.86
CC=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080374	0	32	-1.0	-58.00	288.45	-0.10	-58.10
[N-]=[N+]=NCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080375	0	30	-1.0	-58.54	283.28	-4.69	-63.23
C[C@H](O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080376	0	32	-1.0	-57.55	285.09	-2.79	-60.34
CON=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080377	0	32	-1.0	-60.34	297.34	-2.14	-62.48
C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080378	0	35	-1.0	-58.26	306.91	0.70	-57.56
C=C(C)CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080379	0	35	-1.0	-55.81	308.73	0.57	-55.24
C=CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080380	0	32	-1.0	-55.94	287.08	-0.10	-56.04
CN(C)CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080381	0	36	-1.0	-56.16	307.67	-2.31	-58.47
N#CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080382	0	29	-1.0	-64.74	273.63	-0.97	-65.71
O=C(CCF)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080383	0	31	-1.0	-54.95	280.76	-0.50	-55.45
C[C@@H](O)C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080384	0	32	-1.0	-59.43	285.78	-2.87	-62.30
C=C1CC1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080385	0	33	-1.0	-55.70	298.26	0.70	-55.00
CC1=CC1C(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080386	0	33	-1.0	-58.92	300.61	0.72	-58.20
C=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080387	0	29	-1.0	-58.22	266.73	-0.99	-59.21
C[C@H](O)C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080388	0	32	-1.0	-49.78	283.44	-3.29	-53.07
C=C1CC1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080389	0	33	-1.0	-49.98	301.70	0.39	-49.59
C=C(C)CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080390	0	35	-1.0	-50.05	312.80	0.29	-49.76
CC=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080391	0	32	-1.0	-57.50	291.21	-0.36	-57.86
C[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2nsnc2[O-])C1	REAL250005080392	0	35	-1.0	-50.12	309.51	0.49	-49.63
O=C(NC1CCN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005080393	0	33	-1.0	-48.35	299.84	-3.62	-51.97
CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080394	0	34	-1.0	-52.19	299.59	-0.31	-52.50
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080395	0	31	-1.0	-54.13	277.92	-1.18	-55.31
O=C(NCC1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005080396	0	35	-1.0	-52.13	309.46	0.42	-51.71
CCCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080397	0	37	-1.0	-52.00	321.09	0.46	-51.54
CC(C)C(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080398	0	37	-1.0	-51.91	319.04	0.17	-51.74
NC(=O)C(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080399	0	32	-1.0	-50.40	291.91	-5.06	-55.46
C=CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080400	0	35	-1.0	-52.26	312.55	0.20	-52.06
O=C(CO)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080401	0	32	-1.0	-58.79	290.05	-3.21	-62.00
CCCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080402	0	37	-1.0	-52.96	317.77	0.60	-52.36
CC(C)C(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080403	0	37	-1.0	-52.70	315.82	0.51	-52.19
CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080404	0	34	-1.0	-53.19	296.27	-0.17	-53.36
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080405	0	31	-1.0	-53.49	275.68	-0.97	-54.46
O=C(NCC1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005080406	0	35	-1.0	-53.10	306.76	0.59	-52.51
NC(=O)C(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080407	0	32	-1.0	-54.88	291.62	-4.83	-59.71
O=C(CO)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080408	0	32	-1.0	-57.40	286.74	-3.09	-60.49
CC(=O)C(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080409	0	33	-1.0	-53.42	298.02	-1.04	-54.46
CC=CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080410	0	35	-1.0	-53.43	309.84	0.44	-52.99
C=CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080411	0	35	-1.0	-53.22	309.18	0.37	-52.85
N#CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080412	0	32	-1.0	-60.47	295.73	-0.50	-60.97
C=CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080413	0	32	-1.0	-53.57	288.12	-0.45	-54.02
CC=CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080414	0	35	-1.0	-54.07	312.45	0.22	-53.85
CCC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005080415	0	37	-1.0	-54.34	311.94	-0.23	-54.57
CC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005080416	0	34	-1.0	-54.45	291.35	-1.03	-55.48
CCC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005080417	0	37	-1.0	-54.34	311.94	-0.23	-54.57
CC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005080418	0	34	-1.0	-54.45	291.35	-1.03	-55.48
C=CC(=O)NC1CCCC(NC(=O)c2nsnc2[O-])C1	REAL250005080419	0	35	-1.0	-54.11	308.23	-0.91	-55.02
CCC(=O)N1CCCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005080420	0	37	-1.0	-60.81	302.92	1.90	-58.91
CC(=O)N1CCCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005080421	0	34	-1.0	-60.99	281.25	1.10	-59.89
CCC(=O)N(C)C1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005080422	0	37	-1.0	-59.70	302.15	1.80	-57.90
CC(=O)N(C)C1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005080423	0	34	-1.0	-59.30	280.65	0.98	-58.32
C=CC(=O)N(C)C1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005080424	0	35	-1.0	-52.73	290.77	1.57	-51.16
CCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080425	0	33	-1.0	-57.53	296.25	-1.58	-59.11
CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080426	0	30	-1.0	-57.63	275.66	-2.38	-60.01
CC(CCNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005080427	0	34	-1.0	-57.36	306.77	-0.81	-58.17
CC(CCNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005080428	0	37	-1.0	-57.28	322.96	-0.31	-57.59
CC(CCNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005080429	0	37	-1.0	-57.77	327.19	-0.04	-57.81
COCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080430	0	34	-1.0	-60.91	308.97	-2.21	-63.12
CCCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080431	0	36	-1.0	-57.41	317.75	-0.81	-58.22
CC(CCNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005080432	0	37	-1.0	-57.35	328.15	-0.14	-57.49
CC(C)=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080433	0	37	-1.0	-56.59	325.73	-0.27	-56.86
CC(C)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080434	0	36	-1.0	-57.14	315.80	-0.91	-58.05
C=CCCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080435	0	37	-1.0	-57.12	330.56	-0.25	-57.37
CC=C(C)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080436	0	37	-1.0	-57.84	324.56	-0.30	-58.14
CC(CCNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005080437	0	37	-1.0	-57.25	324.52	-0.21	-57.46
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080438	0	37	-1.0	-57.36	328.14	-0.14	-57.50
CC(CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080439	0	37	-1.0	-57.38	328.15	-0.14	-57.52
CC(CCNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005080440	0	31	-1.0	-53.08	291.60	-6.25	-59.33
C=CCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080441	0	34	-1.0	-57.53	309.16	-1.04	-58.57
CCC=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080442	0	37	-1.0	-57.38	330.91	-0.21	-57.59
CC(CCNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005080443	0	32	-1.0	-59.81	305.35	-5.63	-65.44
CC(CCNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005080444	0	31	-1.0	-62.66	286.72	-4.50	-67.16
CC(O)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080445	0	34	-1.0	-58.03	307.05	-3.71	-61.74
CC(CCNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005080446	0	33	-1.0	-55.87	302.84	-1.44	-57.31
C#CCCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080447	0	35	-1.0	-56.98	323.53	-0.30	-57.28
CC1=CC1C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080448	0	35	-1.0	-57.74	321.78	-0.10	-57.84
CC(CCNC(=O)[C@@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005080449	0	34	-1.0	-57.93	307.05	-3.71	-61.64
CC(CCNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005080450	0	35	-1.0	-58.20	317.25	-0.23	-58.43
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005080451	0	37	-1.0	-52.31	327.19	-0.03	-52.34
COCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080452	0	34	-1.0	-55.36	308.98	-2.20	-57.56
CCCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080453	0	36	-1.0	-52.09	317.75	-0.81	-52.90
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005080454	0	37	-1.0	-52.34	328.15	-0.13	-52.47
CC(C)=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080455	0	37	-1.0	-51.91	325.72	-0.26	-52.17
CC(C)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080456	0	36	-1.0	-52.05	315.81	-0.91	-52.96
C=CCCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080457	0	37	-1.0	-51.83	330.56	-0.24	-52.07
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C(C)C#N	REAL250005080458	0	34	-1.0	-57.77	315.23	-1.28	-59.05
CC=C(C)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080459	0	37	-1.0	-52.83	324.56	-0.27	-53.10
CCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080460	0	33	-1.0	-52.32	296.25	-1.57	-53.89
CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080461	0	30	-1.0	-52.64	275.96	-2.39	-55.03
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005080462	0	34	-1.0	-52.39	306.77	-0.80	-53.19
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005080463	0	37	-1.0	-52.10	322.97	-0.29	-52.39
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005080464	0	31	-1.0	-52.63	291.60	-6.23	-58.86
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005080465	0	37	-1.0	-52.41	324.52	-0.20	-52.61
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005080466	0	37	-1.0	-52.40	328.14	-0.13	-52.53
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005080467	0	37	-1.0	-52.35	328.15	-0.13	-52.48
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005080468	0	31	-1.0	-56.83	286.72	-4.49	-61.32
CCC=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080469	0	37	-1.0	-52.42	330.91	-0.19	-52.61
C#CCCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080470	0	35	-1.0	-52.36	323.53	-0.29	-52.65
CC(O)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080471	0	34	-1.0	-56.37	307.39	-3.73	-60.10
CC(=O)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080472	0	32	-1.0	-51.36	298.00	-2.45	-53.81
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005080473	0	35	-1.0	-53.46	317.25	-0.23	-53.69
CC=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080474	0	34	-1.0	-52.73	309.82	-0.95	-53.68
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005080475	0	32	-1.0	-54.44	305.37	-5.61	-60.05
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005080476	0	34	-1.0	-53.70	307.05	-3.71	-57.41
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005080477	0	37	-1.0	-52.40	328.14	-0.13	-52.53
C=C(C)CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080478	0	37	-1.0	-52.29	330.78	-0.37	-52.66
C=CCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080479	0	34	-1.0	-52.26	309.17	-1.03	-53.29
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005080480	0	31	-1.0	-59.55	295.72	-1.89	-61.44
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005080481	0	33	-1.0	-51.50	302.84	-1.43	-52.93
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H](C)O	REAL250005080482	0	34	-1.0	-56.52	307.39	-3.73	-60.25
C=C1CC1C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080483	0	35	-1.0	-52.59	320.34	-0.23	-52.82
CC1=CC1C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080484	0	35	-1.0	-53.00	321.82	-0.10	-53.10
C=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005080485	0	31	-1.0	-52.76	288.10	-1.84	-54.60
CC(CCNC(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005080486	0	34	-1.0	-62.29	306.59	-3.68	-65.97
C=C1CC1C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080487	0	35	-1.0	-57.14	320.35	-0.24	-57.38
C=C(C)CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080488	0	37	-1.0	-57.26	330.77	-0.38	-57.64
CC=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005080489	0	34	-1.0	-57.55	309.82	-0.97	-58.52
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005080490	0	37	-1.0	-57.36	328.14	-0.14	-57.50
CC(=O)NCCCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080491	0	37	-1.0	-60.45	314.07	0.64	-59.81
CC(=O)N1CCCC1CCCNC(=O)c1nsnc1[O-]	REAL250005080492	0	37	-1.0	-55.61	316.53	0.36	-55.25
CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080493	0	30	-1.0	-56.57	270.72	-0.91	-57.48
COCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080494	0	34	-1.0	-55.47	304.39	-1.84	-57.31
CN(CCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005080495	0	31	-1.0	-56.16	280.50	-0.12	-56.28
CN(CCNC(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005080496	0	34	-1.0	-56.36	296.92	0.35	-56.01
CN(CCNC(=O)C1CCCC1)C(=O)c1nsnc1[O-]	REAL250005080497	0	37	-1.0	-56.50	313.78	0.98	-55.52
CN(CCNC(=O)CC1CC1)C(=O)c1nsnc1[O-]	REAL250005080498	0	34	-1.0	-56.64	301.65	0.63	-56.01
CN(CCNC(=O)C(C)(C)F)C(=O)c1nsnc1[O-]	REAL250005080499	0	33	-1.0	-53.04	296.39	-0.20	-53.24
CN(CCNC(=O)C(C)(F)F)C(=O)c1nsnc1[O-]	REAL250005080500	0	30	-1.0	-52.49	282.57	-0.72	-53.21
COCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080501	0	31	-1.0	-59.49	283.44	-1.55	-61.04
CCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080502	0	33	-1.0	-56.28	292.21	-0.15	-56.43
CN(CCNC(=O)c1ccco1)C(=O)c1nsnc1[O-]	REAL250005080503	0	31	-1.0	-56.46	290.35	-0.59	-57.05
CC(C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080504	0	36	-1.0	-55.88	308.94	0.44	-55.44
CC1CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080505	0	34	-1.0	-56.26	302.62	0.54	-55.72
CCOCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080506	0	34	-1.0	-59.56	305.29	-0.59	-60.15
CC(C)=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080507	0	34	-1.0	-55.75	300.06	0.42	-55.33
CSCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080508	0	31	-1.0	-58.48	293.78	-0.49	-58.97
CN(CCNC(=O)c1ccc[nH]1)C(=O)c1nsnc1[O-]	REAL250005080509	0	32	-1.0	-58.90	293.23	-0.81	-59.71
CN(CCNC(=O)c1ccoc1)C(=O)c1nsnc1[O-]	REAL250005080510	0	31	-1.0	-59.85	289.51	-0.62	-60.47
CCCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080511	0	36	-1.0	-56.32	313.71	0.63	-55.69
CC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080512	0	33	-1.0	-56.23	290.26	-0.24	-56.47
CCC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080513	0	36	-1.0	-56.06	308.39	0.41	-55.65
CN(CCNC(=O)c1cc[nH]n1)C(=O)c1nsnc1[O-]	REAL250005080514	0	31	-1.0	-58.96	288.94	-2.15	-61.11
CN(CCNC(=O)c1cn[nH]c1)C(=O)c1nsnc1[O-]	REAL250005080515	0	31	-1.0	-57.63	288.22	-2.17	-59.80
CN(CCNC(=O)c1ccon1)C(=O)c1nsnc1[O-]	REAL250005080516	0	30	-1.0	-56.93	284.82	-1.36	-58.29
CCC=C(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080517	0	37	-1.0	-56.27	319.30	1.19	-55.08
COC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080518	0	34	-1.0	-59.20	303.22	-0.85	-60.05
C=CCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080519	0	34	-1.0	-55.88	305.03	0.41	-55.47
CN(CCNC(=O)c1cocn1)C(=O)c1nsnc1[O-]	REAL250005080520	0	30	-1.0	-57.03	285.13	-4.00	-61.03
CN(CCNC(=O)CCC1CC1)C(=O)c1nsnc1[O-]	REAL250005080521	0	37	-1.0	-56.40	323.84	1.43	-54.97
CN(CCNC(=O)C1CC=CC1)C(=O)c1nsnc1[O-]	REAL250005080522	0	35	-1.0	-55.94	306.27	0.86	-55.08
CN(CCNC(=O)CC1CCC1)C(=O)c1nsnc1[O-]	REAL250005080523	0	37	-1.0	-56.58	318.63	1.15	-55.43
CC(C(=O)NCCN(C)C(=O)c1nsnc1[O-])C1CC1	REAL250005080524	0	37	-1.0	-56.59	319.58	1.21	-55.38
CC=C(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080525	0	34	-1.0	-56.69	299.03	0.37	-56.32
CC1CC(C(=O)NCCN(C)C(=O)c2nsnc2[O-])C1	REAL250005080526	0	37	-1.0	-56.99	317.88	1.01	-55.98
CN(CCNC(=O)C=C1CCC1)C(=O)c1nsnc1[O-]	REAL250005080527	0	35	-1.0	-56.77	309.89	1.09	-55.68
CN(CCNC(=O)C1=CCCC1)C(=O)c1nsnc1[O-]	REAL250005080528	0	35	-1.0	-56.45	307.30	0.95	-55.50
CN(CCNC(=O)C1CC1(C)C)C(=O)c1nsnc1[O-]	REAL250005080529	0	37	-1.0	-55.66	317.83	1.08	-54.58
CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)c1nsnc1[O-]	REAL250005080530	0	37	-1.0	-55.77	317.86	1.09	-54.68
C#CCCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080531	0	35	-1.0	-59.06	319.49	1.15	-57.91
CCC(C)=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080532	0	37	-1.0	-55.23	321.79	1.18	-54.05
CC(C)C#CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080533	0	35	-1.0	-56.40	320.11	1.11	-55.29
CN(CCNC(=O)C#CC1CC1)C(=O)c1nsnc1[O-]	REAL250005080534	0	33	-1.0	-56.64	309.78	1.28	-55.36
C=C(C)CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080535	0	37	-1.0	-55.57	326.64	1.08	-54.49
CN(CCNC(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005080536	0	34	-1.0	-55.95	298.25	0.48	-55.47
CN(CCNC(=O)c1c[nH]nn1)C(=O)c1nsnc1[O-]	REAL250005080537	0	30	-1.0	-56.63	284.18	-3.60	-60.23
CN(CCNC(=O)CC1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005080538	0	37	-1.0	-56.02	321.62	1.15	-54.87
CN(CCNC(=O)c1cnco1)C(=O)c1nsnc1[O-]	REAL250005080539	0	30	-1.0	-56.46	285.14	-3.89	-60.35
C=CC(C)(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080540	0	37	-1.0	-56.05	317.91	0.72	-55.33
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080541	0	34	-1.0	-56.11	302.10	0.56	-55.55
CN(CCNC(=O)C1(C)CCC1)C(=O)c1nsnc1[O-]	REAL250005080542	0	37	-1.0	-56.01	313.91	0.91	-55.10
CCC(F)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080543	0	33	-1.0	-57.38	298.49	-0.11	-57.49
CN(CCNC(=O)CCCF)C(=O)c1nsnc1[O-]	REAL250005080544	0	33	-1.0	-58.92	298.80	-0.01	-58.93
C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080545	0	34	-1.0	-56.12	301.88	0.55	-55.57
C=CCCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080546	0	37	-1.0	-56.63	326.52	1.19	-55.44
CN(CCNC(=O)C(N)=O)C(=O)c1nsnc1[O-]	REAL250005080547	0	28	-1.0	-53.08	266.06	-5.59	-58.67
CC1CC1CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080548	0	37	-1.0	-56.61	323.05	1.30	-55.31
CCC1(C(=O)NCCN(C)C(=O)c2nsnc2[O-])CC1	REAL250005080549	0	37	-1.0	-56.53	322.69	1.07	-55.46
CN(CCNC(=O)C(C)(C)C)C(=O)c1nsnc1[O-]	REAL250005080550	0	36	-1.0	-56.11	309.15	0.32	-55.79
CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080551	0	37	-1.0	-56.11	323.29	1.32	-54.79
CN(CCNC(=O)C1CC12CC2)C(=O)c1nsnc1[O-]	REAL250005080552	0	35	-1.0	-56.58	313.69	1.33	-55.25
CN(CCNC(=O)[C@@H]1CC(=O)N1)C(=O)c1nsnc1[O-]	REAL250005080553	0	32	-1.0	-62.10	294.93	-4.20	-66.30
CN(CCNC(=O)[C@H]1CC(=O)N1)C(=O)c1nsnc1[O-]	REAL250005080554	0	32	-1.0	-63.35	294.67	-4.55	-67.90
C=CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080555	0	31	-1.0	-56.39	283.63	-0.37	-56.76
CN(C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080556	0	35	-1.0	-56.65	304.22	-2.58	-59.23
C=CC(O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080557	0	32	-1.0	-56.13	294.72	-2.50	-58.63
CN(CCNC(=O)C1COC1)C(=O)c1nsnc1[O-]	REAL250005080558	0	32	-1.0	-56.44	288.07	-2.41	-58.85
CO[C@H](C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080559	0	34	-1.0	-59.24	303.24	-0.85	-60.09
CCC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080560	0	34	-1.0	-56.28	305.38	0.46	-55.82
CN(CCNC(=O)CN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005080561	0	29	-1.0	-58.42	279.83	-4.97	-63.39
CN(CCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005080562	0	28	-1.0	-61.26	261.18	-3.83	-65.09
CN(CCNC(=O)C=CC(N)=O)C(=O)c1nsnc1[O-]	REAL250005080563	0	32	-1.0	-57.49	300.68	-4.27	-61.76
CC(O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080564	0	31	-1.0	-57.32	281.51	-3.05	-60.37
C=CCC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080565	0	37	-1.0	-55.53	322.89	1.00	-54.53
CN(CCNC(=O)C1CC1F)C(=O)c1nsnc1[O-]	REAL250005080566	0	31	-1.0	-54.23	288.04	-0.04	-54.27
CN(CCNC(=O)CCF)C(=O)c1nsnc1[O-]	REAL250005080567	0	30	-1.0	-54.86	277.31	-0.77	-55.63
CC(C(=O)NCCN(C)C(=O)c1nsnc1[O-])=C1CC1	REAL250005080568	0	35	-1.0	-57.16	313.51	1.33	-55.83
CCC1CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080569	0	37	-1.0	-56.09	318.56	1.31	-54.78
CN(CCNC(=O)C=CCF)C(=O)c1nsnc1[O-]	REAL250005080570	0	31	-1.0	-57.92	290.47	-0.19	-58.11
C#CCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080571	0	32	-1.0	-55.95	298.00	0.37	-55.58
CN(CCNC(=O)CN1CCC1)C(=O)c1nsnc1[O-]	REAL250005080572	0	36	-1.0	-57.63	312.10	-2.99	-60.62
C#C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080573	0	33	-1.0	-59.58	304.14	1.03	-58.55
CN(CCNC(=O)C1C2CCC21)C(=O)c1nsnc1[O-]	REAL250005080574	0	35	-1.0	-57.01	303.94	1.19	-55.82
C=C1CCC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080575	0	35	-1.0	-55.12	309.54	0.85	-54.27
C[C@H]1C(C(=O)NCCN(C)C(=O)c2nsnc2[O-])[C@H]1C	REAL250005080576	0	37	-1.0	-55.28	310.92	1.04	-54.24
CC=CC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080577	0	35	-1.0	-56.63	319.45	1.13	-55.50
CN(CCNC(=O)C1CCO1)C(=O)c1nsnc1[O-]	REAL250005080578	0	32	-1.0	-58.44	287.50	-1.34	-59.78
CN(CCNC(=O)CCN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005080579	0	32	-1.0	-54.30	300.84	-4.30	-58.60
C#CCOCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080580	0	33	-1.0	-62.34	311.08	-0.06	-62.40
CN(CCNC(=O)C(C)(C)O)C(=O)c1nsnc1[O-]	REAL250005080581	0	34	-1.0	-54.64	301.20	-3.48	-58.12
CC1=CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080582	0	32	-1.0	-56.82	296.29	0.56	-56.26
C=C1CC(C(=O)NCCN(C)C(=O)c2nsnc2[O-])C1	REAL250005080583	0	35	-1.0	-55.66	310.96	0.87	-54.79
CN(CCNC(=O)c1cnc[nH]1)C(=O)c1nsnc1[O-]	REAL250005080584	0	31	-1.0	-59.57	288.05	-1.07	-60.64
CN(CCNC(=O)C1=CCCO1)C(=O)c1nsnc1[O-]	REAL250005080585	0	33	-1.0	-55.27	298.83	-1.02	-56.29
C[C@@H](O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080586	0	31	-1.0	-57.35	281.53	-3.04	-60.39
CN(CCNC(=O)C=CCO)C(=O)c1nsnc1[O-]	REAL250005080587	0	32	-1.0	-59.57	295.39	-3.67	-63.24
COC(F)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080588	0	31	-1.0	-59.01	289.33	-2.07	-61.08
CN(CCNC(=O)C12CC1CC2)C(=O)c1nsnc1[O-]	REAL250005080589	0	35	-1.0	-56.75	309.69	1.07	-55.68
C=C[C@H](C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080590	0	37	-1.0	-55.47	321.72	0.97	-54.50
CN(CCNC(=O)C=CC1CC1)C(=O)c1nsnc1[O-]	REAL250005080591	0	35	-1.0	-56.30	316.27	1.27	-55.03
CC=C(CC)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080592	0	37	-1.0	-56.58	320.06	1.08	-55.50
CN(CCNC(=O)C1=CCC1)C(=O)c1nsnc1[O-]	REAL250005080593	0	32	-1.0	-57.30	291.72	0.43	-56.87
CON=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080594	0	31	-1.0	-57.84	293.18	-2.34	-60.18
CN(CCNC(=O)C1(F)CC1)C(=O)c1nsnc1[O-]	REAL250005080595	0	31	-1.0	-52.54	286.56	-0.05	-52.59
CN(CCNC(=O)C1=NOCC1)C(=O)c1nsnc1[O-]	REAL250005080596	0	32	-1.0	-53.26	294.78	-2.06	-55.32
C#CC(C)(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080597	0	35	-1.0	-58.39	314.97	0.76	-57.63
CN(CCNC(=O)c1ncc[nH]1)C(=O)c1nsnc1[O-]	REAL250005080598	0	31	-1.0	-56.65	289.18	-1.87	-58.52
CCCC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080599	0	37	-1.0	-56.16	326.88	1.23	-54.93
CC=C(F)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080600	0	31	-1.0	-53.07	289.26	-0.24	-53.31
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005080601	0	34	-1.0	-54.51	304.03	0.34	-54.17
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)F	REAL250005080602	0	33	-1.0	-51.61	292.14	-0.82	-52.43
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(F)F	REAL250005080603	0	30	-1.0	-50.93	282.35	-1.16	-52.09
COCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080604	0	31	-1.0	-57.85	285.54	-1.83	-59.68
CCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080605	0	33	-1.0	-54.42	294.32	-0.46	-54.88
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccco1	REAL250005080606	0	31	-1.0	-54.78	289.97	-0.83	-55.61
CC(C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080607	0	36	-1.0	-54.05	311.05	0.14	-53.91
CC1CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080608	0	34	-1.0	-54.34	304.91	0.20	-54.14
CCOCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080609	0	34	-1.0	-57.93	307.40	-0.87	-58.80
CC(C)=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080610	0	34	-1.0	-53.66	301.90	0.07	-53.59
CSCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080611	0	31	-1.0	-56.99	295.88	-0.77	-57.76
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccc[nH]1	REAL250005080612	0	32	-1.0	-57.84	291.04	-0.85	-58.69
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccoc1	REAL250005080613	0	31	-1.0	-55.74	286.76	-1.26	-57.00
CCCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080614	0	36	-1.0	-54.45	315.82	0.33	-54.12
CC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080615	0	33	-1.0	-54.60	287.46	-0.84	-55.44
CCC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080616	0	36	-1.0	-54.25	305.85	-0.20	-54.45
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cc[nH]n1	REAL250005080617	0	31	-1.0	-56.88	288.53	-2.16	-59.04
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cn[nH]c1	REAL250005080618	0	31	-1.0	-56.14	285.61	-2.86	-59.00
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccon1	REAL250005080619	0	30	-1.0	-55.10	285.00	-1.39	-56.49
CCC=C(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080620	0	37	-1.0	-55.52	315.31	0.39	-55.13
COC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080621	0	34	-1.0	-57.63	300.49	-1.35	-58.98
C=CCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080622	0	34	-1.0	-54.40	307.13	0.11	-54.29
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cocn1	REAL250005080623	0	30	-1.0	-55.06	285.16	-3.42	-58.48
CC(C#N)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080624	0	31	-1.0	-61.40	288.20	-1.17	-62.57
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCC1CC1	REAL250005080625	0	37	-1.0	-54.40	325.92	1.11	-53.29
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC=CC1	REAL250005080626	0	35	-1.0	-54.54	308.68	0.51	-54.03
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC1CCC1	REAL250005080627	0	37	-1.0	-54.49	321.00	0.85	-53.64
CC(C(=O)N(C)CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080628	0	37	-1.0	-54.81	319.04	0.69	-54.12
CC=C(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080629	0	34	-1.0	-55.18	302.08	-0.25	-55.43
CC1CC(C(=O)N(C)CCNC(=O)c2nsnc2[O-])C1	REAL250005080630	0	37	-1.0	-54.63	319.35	0.65	-53.98
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=C1CCC1	REAL250005080631	0	35	-1.0	-54.91	311.43	0.77	-54.14
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCCC1	REAL250005080632	0	35	-1.0	-55.09	304.20	0.31	-54.78
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1(C)C	REAL250005080633	0	37	-1.0	-53.70	319.41	0.74	-52.96
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H]1CC1(C)C	REAL250005080634	0	37	-1.0	-53.65	319.42	0.74	-52.91
C#CCCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080635	0	35	-1.0	-57.24	321.60	0.85	-56.39
CCC(C)=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080636	0	37	-1.0	-53.23	323.37	0.84	-52.39
CC(C)C#CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080637	0	35	-1.0	-55.11	323.06	0.81	-54.30
CN(CCNC(=O)c1nsnc1[O-])C(=O)C#CC1CC1	REAL250005080638	0	33	-1.0	-55.19	312.99	1.00	-54.19
CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080639	0	30	-1.0	-54.57	272.82	-1.22	-55.79
COCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080640	0	34	-1.0	-53.72	306.49	-2.15	-55.87
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005080641	0	31	-1.0	-54.45	283.54	-0.48	-54.93
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCC1	REAL250005080642	0	34	-1.0	-54.32	299.39	0.05	-54.27
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCCC1	REAL250005080643	0	37	-1.0	-54.04	313.28	0.53	-53.51
C=CCCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080644	0	37	-1.0	-54.75	328.63	0.89	-53.86
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005080645	0	28	-1.0	-51.12	266.43	-5.84	-56.96
CC1CC1CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080646	0	37	-1.0	-54.68	325.41	1.01	-53.67
CCC1(C(=O)N(C)CCNC(=O)c2nsnc2[O-])CC1	REAL250005080647	0	37	-1.0	-55.21	322.71	0.58	-54.63
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)C	REAL250005080648	0	36	-1.0	-54.51	302.13	-0.52	-55.03
C=C(C)CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080649	0	37	-1.0	-54.04	328.78	0.78	-53.26
CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080650	0	37	-1.0	-54.47	325.59	0.96	-53.51
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC12CC2	REAL250005080651	0	35	-1.0	-54.88	315.25	0.99	-53.89
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC1(C)CC1	REAL250005080652	0	37	-1.0	-53.94	324.12	0.84	-53.10
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C)CC1	REAL250005080653	0	34	-1.0	-54.79	300.90	-0.16	-54.95
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cc[nH]c1	REAL250005080654	0	32	-1.0	-61.36	290.82	-1.42	-62.78
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cnco1	REAL250005080655	0	30	-1.0	-55.55	285.32	-4.12	-59.67
C=CC(C)(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080656	0	37	-1.0	-55.48	311.01	-0.11	-55.59
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080657	0	34	-1.0	-54.39	304.20	0.19	-54.20
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C)CCC1	REAL250005080658	0	37	-1.0	-55.08	311.12	0.18	-54.90
CCC(F)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080659	0	33	-1.0	-55.60	299.89	-0.44	-56.04
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCCF	REAL250005080660	0	33	-1.0	-57.10	300.91	-0.32	-57.42
C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080661	0	34	-1.0	-54.39	304.19	0.19	-54.20
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1c[nH]nn1	REAL250005080662	0	30	-1.0	-54.50	284.24	-3.65	-58.15
CN(CCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005080663	0	28	-1.0	-59.51	263.29	-4.12	-63.63
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CC(N)=O	REAL250005080664	0	32	-1.0	-55.56	302.24	-4.58	-60.14
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCO1	REAL250005080665	0	32	-1.0	-59.47	290.29	-1.65	-61.12
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCCO1	REAL250005080666	0	33	-1.0	-52.89	298.36	-1.06	-53.95
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1COC1	REAL250005080667	0	32	-1.0	-54.32	288.87	-2.77	-57.09
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CCO	REAL250005080668	0	32	-1.0	-57.74	296.95	-3.97	-61.71
CCC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080669	0	34	-1.0	-54.32	306.93	0.15	-54.17
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCN=[N+]=[N-]	REAL250005080670	0	32	-1.0	-53.07	302.96	-4.61	-57.68
C#CCOCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080671	0	33	-1.0	-60.71	313.18	-0.34	-61.05
C#CCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080672	0	32	-1.0	-54.20	300.10	0.06	-54.14
CC=CC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080673	0	35	-1.0	-54.60	321.01	0.82	-53.78
C#CCC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080674	0	35	-1.0	-53.92	313.32	0.34	-53.58
C=CC(O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080675	0	32	-1.0	-54.89	289.62	-2.83	-57.72
CN(CCNC(=O)c1nsnc1[O-])C(=O)C12CC1CC2	REAL250005080676	0	35	-1.0	-54.79	308.86	0.62	-54.17
C=C[C@H](C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080677	0	37	-1.0	-53.80	324.10	0.69	-53.11
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CC1CC1	REAL250005080678	0	35	-1.0	-54.39	317.81	0.96	-53.43
CCC(C#N)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080679	0	34	-1.0	-58.87	312.61	-0.42	-59.29
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1C2CCC21	REAL250005080680	0	35	-1.0	-54.22	305.49	0.85	-53.37
C=C1CCC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080681	0	35	-1.0	-53.63	308.76	0.40	-53.23
C[C@H]1C(C(=O)N(C)CCNC(=O)c2nsnc2[O-])[C@H]1C	REAL250005080682	0	37	-1.0	-53.45	312.79	0.71	-52.74
CC(O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080683	0	31	-1.0	-55.67	280.34	-3.52	-59.19
CC(=O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080684	0	29	-1.0	-50.79	272.87	-2.04	-52.83
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCCC#N	REAL250005080685	0	34	-1.0	-62.70	315.17	0.06	-62.64
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C#N)CC1	REAL250005080686	0	32	-1.0	-51.11	298.84	-0.62	-51.73
C=C1CC(C(=O)N(C)CCNC(=O)c2nsnc2[O-])C1	REAL250005080687	0	35	-1.0	-53.99	311.73	0.51	-53.48
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(F)CC1	REAL250005080688	0	31	-1.0	-53.50	289.06	-0.46	-53.96
CC(CC#N)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080689	0	34	-1.0	-54.01	306.90	-0.48	-54.49
CCC1CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080690	0	37	-1.0	-54.42	325.58	0.96	-53.46
CCCC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080691	0	37	-1.0	-54.20	328.43	0.93	-53.27
CC=C(F)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080692	0	31	-1.0	-51.71	288.65	-0.64	-52.35
CC(=O)C=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080693	0	33	-1.0	-54.09	309.10	-0.74	-54.83
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ncc[nH]1	REAL250005080694	0	31	-1.0	-54.33	288.76	-1.63	-55.96
CC(CO)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080695	0	34	-1.0	-53.87	298.31	-4.13	-58.00
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cnoc1	REAL250005080696	0	30	-1.0	-52.51	276.02	-1.95	-54.46
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(=O)C1CC1	REAL250005080697	0	33	-1.0	-50.88	304.49	-0.44	-51.32
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1C[C@@H]1C#N	REAL250005080698	0	32	-1.0	-65.74	300.51	-0.17	-65.91
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=COCC1	REAL250005080699	0	33	-1.0	-54.92	293.29	-1.68	-56.60
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(O)CC1	REAL250005080700	0	32	-1.0	-51.80	294.21	-3.73	-55.53
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005080701	0	32	-1.0	-55.92	289.25	-0.08	-56.00
CC(CF)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080702	0	33	-1.0	-52.54	293.52	-0.72	-53.26
CC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080703	0	31	-1.0	-54.55	285.84	-0.61	-55.16
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CCF	REAL250005080704	0	31	-1.0	-56.03	292.03	-0.50	-56.53
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccno1	REAL250005080705	0	30	-1.0	-52.45	285.02	-1.58	-54.03
CN(CCNC(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005080706	0	29	-1.0	-56.30	281.93	-5.31	-61.61
C[C@H](O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080707	0	31	-1.0	-55.49	278.78	-3.56	-59.05
CON=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080708	0	31	-1.0	-56.44	294.74	-2.67	-59.11
C#CC1(C(=O)N(C)CCNC(=O)c2nsnc2[O-])CC1	REAL250005080709	0	33	-1.0	-54.00	304.11	0.27	-53.73
C=CC=CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080710	0	35	-1.0	-55.28	320.98	0.74	-54.54
C#C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080711	0	33	-1.0	-57.46	306.39	0.69	-56.77
CC=C(CC)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080712	0	37	-1.0	-54.83	327.70	0.64	-54.19
COC(F)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080713	0	31	-1.0	-57.99	290.79	-2.39	-60.38
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1C[C@H]1C#N	REAL250005080714	0	32	-1.0	-56.10	303.80	-0.05	-56.15
C=CCC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080715	0	37	-1.0	-53.85	320.35	0.39	-53.46
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080716	0	34	-1.0	-54.39	304.20	0.19	-54.20
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)O	REAL250005080717	0	34	-1.0	-51.84	297.98	-3.60	-55.44
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=NOCC1	REAL250005080718	0	32	-1.0	-51.44	294.41	-2.07	-53.51
CC(C#N)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080719	0	34	-1.0	-53.81	310.37	-0.18	-53.99
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H](O)CF	REAL250005080720	0	31	-1.0	-52.98	287.05	-3.37	-56.35
C=C(C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080721	0	34	-1.0	-54.21	307.35	-0.03	-54.24
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)C#N	REAL250005080722	0	34	-1.0	-61.34	301.58	-0.97	-62.31
CC(C)=C(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080723	0	37	-1.0	-54.98	324.64	0.56	-54.42
C=CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080724	0	31	-1.0	-54.75	285.73	-0.68	-55.43
CN(C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080725	0	35	-1.0	-54.80	306.32	-2.93	-57.73
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005080726	0	28	-1.0	-62.76	272.28	-1.54	-64.30
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1F	REAL250005080727	0	31	-1.0	-59.99	288.74	-0.42	-60.41
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCF	REAL250005080728	0	30	-1.0	-53.06	279.41	-1.08	-54.14
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1C=CCC1	REAL250005080729	0	35	-1.0	-53.74	307.69	0.50	-53.24
C#CC(C)(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080730	0	35	-1.0	-57.68	308.01	-0.09	-57.77
CO[C@H](C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080731	0	34	-1.0	-57.17	302.74	-1.31	-58.48
C[C@@H](O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080732	0	31	-1.0	-59.16	279.13	-3.59	-62.75
CN(CCNC(=O)c1nsnc1[O-])C(=O)CN1CCC1	REAL250005080733	0	36	-1.0	-55.59	314.46	-3.32	-58.91
C=C1CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080734	0	32	-1.0	-54.32	296.83	0.08	-54.24
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC(=O)N1	REAL250005080735	0	32	-1.0	-61.39	297.04	-4.86	-66.25
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1CC(=O)N1	REAL250005080736	0	32	-1.0	-61.36	296.10	-4.97	-66.33
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cnc[nH]1	REAL250005080737	0	31	-1.0	-58.68	285.78	-1.09	-59.77
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC(=O)C1	REAL250005080738	0	33	-1.0	-55.65	300.77	-0.93	-56.58
CC(C(=O)N(C)CCNC(=O)c1nsnc1[O-])=C1CC1	REAL250005080739	0	35	-1.0	-56.15	309.78	0.61	-55.54
CC1=CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080740	0	32	-1.0	-55.01	297.85	0.24	-54.77
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H]1CC(=O)N1	REAL250005080741	0	32	-1.0	-61.91	297.32	-4.59	-66.50
C=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080742	0	28	-1.0	-54.69	264.12	-1.49	-56.18
CC(CO)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080743	0	34	-1.0	-55.58	300.85	-3.53	-59.11
CN(CCNC(=O)c1cnoc1)C(=O)c1nsnc1[O-]	REAL250005080744	0	30	-1.0	-55.72	284.45	-1.19	-56.91
C#CC1(C(=O)NCCN(C)C(=O)c2nsnc2[O-])CC1	REAL250005080745	0	33	-1.0	-54.92	306.19	0.95	-53.97
CN(CCNC(=O)C1=COCC1)C(=O)c1nsnc1[O-]	REAL250005080746	0	33	-1.0	-56.73	297.43	-1.07	-57.80
C[C@H](O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080747	0	31	-1.0	-56.20	281.53	-3.04	-59.24
CN(CCNC(=O)C1C=CCC1)C(=O)c1nsnc1[O-]	REAL250005080748	0	35	-1.0	-55.64	305.55	0.91	-54.73
C=C1CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080749	0	32	-1.0	-56.10	294.81	0.43	-55.67
CC(CF)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080750	0	33	-1.0	-54.22	296.06	-0.12	-54.34
C=C(C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080751	0	34	-1.0	-56.24	305.24	0.28	-55.96
CC(C)=C(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080752	0	37	-1.0	-55.87	315.15	1.11	-54.76
CC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080753	0	31	-1.0	-56.62	284.29	-0.31	-56.93
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080754	0	34	-1.0	-56.11	302.10	0.56	-55.55
C=CC=CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080755	0	35	-1.0	-56.79	318.88	1.05	-55.74
C#CCC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005080756	0	35	-1.0	-55.53	315.87	0.94	-54.59
CN(CCNC(=O)[C@H](O)CF)C(=O)c1nsnc1[O-]	REAL250005080757	0	31	-1.0	-57.81	287.83	-2.89	-60.70
CN(CCNC(=O)C1(O)CC1)C(=O)c1nsnc1[O-]	REAL250005080758	0	32	-1.0	-55.49	288.81	-3.19	-58.68
CN(CCNC(=O)C1CC(=O)N1)C(=O)c1nsnc1[O-]	REAL250005080759	0	32	-1.0	-61.59	294.84	-4.44	-66.03
CN(CCNC(=O)c1ccno1)C(=O)c1nsnc1[O-]	REAL250005080760	0	30	-1.0	-53.75	284.83	-1.17	-54.92
CCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080761	0	33	-1.0	-57.02	288.74	0.26	-56.76
CCN(CCNC(C)=O)C(=O)c1nsnc1[O-]	REAL250005080762	0	30	-1.0	-57.25	268.43	-0.55	-57.80
CCN(CCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005080763	0	34	-1.0	-57.51	296.42	0.84	-56.67
CCN(CCNC(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005080764	0	37	-1.0	-57.02	315.46	1.51	-55.51
CCN(CCNC(=O)CC1CC1)C(=O)c1nsnc1[O-]	REAL250005080765	0	37	-1.0	-57.82	316.84	1.61	-56.21
CCN(CCNC(=O)COC)C(=O)c1nsnc1[O-]	REAL250005080766	0	34	-1.0	-60.05	301.46	-0.37	-60.42
CCCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080767	0	36	-1.0	-56.83	310.24	1.03	-55.80
CCN(CCNC(=O)C1CC1C)C(=O)c1nsnc1[O-]	REAL250005080768	0	37	-1.0	-56.79	320.64	1.69	-55.10
CCN(CCNC(=O)C=C(C)C)C(=O)c1nsnc1[O-]	REAL250005080769	0	37	-1.0	-56.25	318.37	1.58	-54.67
CCN(CCNC(=O)C(C)C)C(=O)c1nsnc1[O-]	REAL250005080770	0	36	-1.0	-56.74	308.29	0.94	-55.80
C=CCCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080771	0	37	-1.0	-56.37	323.05	1.59	-54.78
CC=C(C)C(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080772	0	37	-1.0	-57.24	317.06	1.54	-55.70
CCN(CCNC(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005080773	0	37	-1.0	-57.32	314.17	1.44	-55.88
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1nsnc1[O-]	REAL250005080774	0	37	-1.0	-56.82	320.67	1.70	-55.12
CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1nsnc1[O-]	REAL250005080775	0	37	-1.0	-56.77	320.65	1.69	-55.08
CCN(CCNC(=O)C(N)=O)C(=O)c1nsnc1[O-]	REAL250005080776	0	31	-1.0	-53.65	284.09	-4.41	-58.06
C=CCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080777	0	34	-1.0	-56.90	301.65	0.80	-56.10
CCC=CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080778	0	37	-1.0	-56.83	323.40	1.63	-55.20
CCN(CCNC(=O)CN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005080779	0	32	-1.0	-58.93	297.84	-3.79	-62.72
CCN(CCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005080780	0	31	-1.0	-61.77	279.21	-2.66	-64.43
CCN(CCNC(=O)C(C)O)C(=O)c1nsnc1[O-]	REAL250005080781	0	34	-1.0	-57.80	299.54	-1.87	-59.67
CCN(CCNC(=O)CCF)C(=O)c1nsnc1[O-]	REAL250005080782	0	33	-1.0	-55.37	295.33	0.40	-54.97
C#CCCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080783	0	35	-1.0	-56.43	316.02	1.55	-54.88
CCN(CCNC(=O)C1C=C1C)C(=O)c1nsnc1[O-]	REAL250005080784	0	35	-1.0	-57.74	314.31	1.72	-56.02
CCN(CCNC(=O)[C@@H](C)O)C(=O)c1nsnc1[O-]	REAL250005080785	0	34	-1.0	-57.80	299.54	-1.87	-59.67
CCN(CCNC(=O)C1=CCC1)C(=O)c1nsnc1[O-]	REAL250005080786	0	35	-1.0	-57.79	309.74	1.60	-56.19
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005080787	0	37	-1.0	-54.95	319.96	1.13	-53.82
CCN(CCNC(=O)c1nsnc1[O-])C(=O)COC	REAL250005080788	0	34	-1.0	-57.86	301.75	-1.03	-58.89
CCCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080789	0	36	-1.0	-54.56	310.52	0.35	-54.21
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1C	REAL250005080790	0	37	-1.0	-53.82	325.19	1.13	-52.69
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C=C(C)C	REAL250005080791	0	37	-1.0	-54.10	319.48	0.94	-53.16
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)C	REAL250005080792	0	36	-1.0	-54.82	305.84	0.02	-54.80
C=CCCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080793	0	37	-1.0	-54.56	323.34	0.91	-53.65
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)C#N	REAL250005080794	0	34	-1.0	-61.43	305.27	-0.37	-61.80
CC=C(C)C(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080795	0	37	-1.0	-55.02	320.98	0.64	-54.38
CCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080796	0	33	-1.0	-54.67	289.02	-0.41	-55.08
CCN(CCNC(=O)c1nsnc1[O-])C(C)=O	REAL250005080797	0	30	-1.0	-50.94	268.51	-1.27	-52.21
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005080798	0	34	-1.0	-53.80	303.82	0.45	-53.35
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCC1	REAL250005080799	0	37	-1.0	-53.86	318.17	0.90	-52.96
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005080800	0	31	-1.0	-51.54	282.13	-4.97	-56.51
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C)CC1	REAL250005080801	0	37	-1.0	-54.32	317.22	0.68	-53.64
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1C[C@H]1C	REAL250005080802	0	37	-1.0	-53.86	326.00	1.18	-52.68
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H]1C[C@@H]1C	REAL250005080803	0	37	-1.0	-53.85	326.00	1.18	-52.67
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005080804	0	31	-1.0	-59.52	279.50	-3.31	-62.83
CCC=CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080805	0	37	-1.0	-54.80	324.71	1.01	-53.79
C#CCCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080806	0	35	-1.0	-54.27	316.31	0.87	-53.40
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)O	REAL250005080807	0	34	-1.0	-53.05	296.19	-2.76	-55.81
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)=O	REAL250005080808	0	32	-1.0	-51.23	288.97	-1.16	-52.39
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005080809	0	35	-1.0	-55.28	307.85	0.79	-54.49
CC=CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080810	0	34	-1.0	-54.91	303.62	0.25	-54.66
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005080811	0	32	-1.0	-56.12	298.14	-4.50	-60.62
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H](C)O	REAL250005080812	0	34	-1.0	-53.40	300.63	-2.62	-56.02
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1C[C@H]1C	REAL250005080813	0	37	-1.0	-53.86	326.00	1.18	-52.68
C=C(C)CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080814	0	37	-1.0	-54.33	323.55	0.78	-53.55
C=CCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080815	0	34	-1.0	-54.86	301.94	0.13	-54.73
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005080816	0	31	-1.0	-62.55	288.49	-0.74	-63.29
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CCF	REAL250005080817	0	33	-1.0	-53.12	295.62	-0.27	-53.39
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H](C)O	REAL250005080818	0	34	-1.0	-52.95	299.92	-2.62	-55.57
C=C1CC1C(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080819	0	35	-1.0	-54.61	313.29	0.93	-53.68
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1C=C1C	REAL250005080820	0	35	-1.0	-54.47	319.66	1.22	-53.25
C=CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005080821	0	31	-1.0	-54.99	281.90	-0.63	-55.62
CCN(CCNC(=O)[C@H](C)O)C(=O)c1nsnc1[O-]	REAL250005080822	0	34	-1.0	-56.62	299.54	-1.87	-58.49
C=C1CC1C(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080823	0	35	-1.0	-56.60	312.83	1.60	-55.00
C=C(C)CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080824	0	37	-1.0	-56.75	323.26	1.46	-55.29
CC=CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005080825	0	34	-1.0	-57.12	302.32	0.87	-56.25
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1nsnc1[O-]	REAL250005080826	0	37	-1.0	-56.82	320.67	1.70	-55.12
CCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080827	0	34	-1.0	-60.00	292.19	-0.00	-60.00
CC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080828	0	31	-1.0	-60.19	271.90	-0.82	-61.01
O=C(NCC1CCCN1C(=O)c1nsnc1[O-])C1CC1	REAL250005080829	0	35	-1.0	-60.02	303.73	0.75	-59.27
CCCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080830	0	37	-1.0	-59.85	313.69	0.77	-59.08
CC(C)C(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080831	0	37	-1.0	-59.81	311.71	0.68	-59.13
NC(=O)C(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080832	0	32	-1.0	-54.80	287.54	-4.66	-59.46
C=CCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080833	0	35	-1.0	-60.12	305.10	0.54	-59.58
O=C(CO)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080834	0	32	-1.0	-64.96	282.66	-2.92	-67.88
CCCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080835	0	37	-1.0	-57.20	317.35	0.52	-56.68
CC(C)C(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080836	0	37	-1.0	-57.43	309.22	1.11	-56.32
CCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080837	0	34	-1.0	-56.91	295.61	-0.21	-57.12
CC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080838	0	31	-1.0	-57.49	275.53	-1.04	-58.53
O=C(NCC1CCCN1C(=O)C1CC1)c1nsnc1[O-]	REAL250005080839	0	35	-1.0	-57.60	305.53	0.52	-57.08
NC(=O)C(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080840	0	32	-1.0	-52.37	288.91	-4.89	-57.26
O=C(CO)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080841	0	32	-1.0	-62.10	286.08	-3.14	-65.24
CC(=O)C(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080842	0	33	-1.0	-51.96	295.83	-1.09	-53.05
CC=CC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080843	0	35	-1.0	-57.69	308.77	0.34	-57.35
C=CCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080844	0	35	-1.0	-56.75	308.52	0.33	-56.42
N#CCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080845	0	32	-1.0	-65.40	295.07	-0.52	-65.92
C=CC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005080846	0	32	-1.0	-57.66	287.05	-0.54	-58.20
CC=CC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005080847	0	35	-1.0	-60.12	305.76	0.60	-59.52
CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080848	0	34	-1.0	-53.19	296.27	-0.17	-53.36
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080849	0	31	-1.0	-53.49	275.68	-0.97	-54.46
O=C(NCC1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005080850	0	35	-1.0	-53.10	306.76	0.59	-52.51
CCCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080851	0	37	-1.0	-52.96	317.77	0.60	-52.36
CC(C)C(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080852	0	37	-1.0	-52.70	315.82	0.51	-52.19
NC(=O)C(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080853	0	32	-1.0	-54.88	291.62	-4.83	-59.71
C=CCC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080854	0	35	-1.0	-53.22	309.18	0.37	-52.85
O=C(CO)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080855	0	32	-1.0	-57.40	286.74	-3.09	-60.49
CCCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080856	0	37	-1.0	-52.00	321.09	0.46	-51.54
CC(C)C(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080857	0	37	-1.0	-51.91	319.04	0.17	-51.74
CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080858	0	34	-1.0	-52.19	299.59	-0.31	-52.50
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080859	0	31	-1.0	-54.13	277.92	-1.18	-55.31
O=C(NCC1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005080860	0	35	-1.0	-52.13	309.46	0.42	-51.71
NC(=O)C(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080861	0	32	-1.0	-50.40	291.91	-5.06	-55.46
O=C(CO)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080862	0	32	-1.0	-58.79	290.05	-3.21	-62.00
CC(=O)C(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080863	0	33	-1.0	-49.96	299.29	-1.23	-51.19
CC=CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080864	0	35	-1.0	-54.07	312.45	0.22	-53.85
C=CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080865	0	35	-1.0	-52.26	312.55	0.20	-52.06
N#CCC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080866	0	32	-1.0	-62.10	299.04	-0.64	-62.74
C=CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1	REAL250005080867	0	32	-1.0	-54.15	290.73	-0.67	-54.82
CC=CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005080868	0	35	-1.0	-53.43	309.84	0.44	-52.99
CCCN(CCNC(=O)CC)C(=O)c1nsnc1[O-]	REAL250005080869	0	36	-1.0	-57.12	310.03	0.94	-56.18
CCCN(CCNC(C)=O)C(=O)c1nsnc1[O-]	REAL250005080870	0	33	-1.0	-57.42	289.72	0.13	-57.29
CCCN(CCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005080871	0	37	-1.0	-57.64	317.92	1.61	-56.03
C=CCC(=O)NCCN(CCC)C(=O)c1nsnc1[O-]	REAL250005080872	0	37	-1.0	-56.99	322.94	1.48	-55.51
CCCN(CCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005080873	0	34	-1.0	-61.95	300.50	-1.98	-63.93
CCCN(CCNC(=O)c1nsnc1[O-])C(=O)CC	REAL250005080874	0	36	-1.0	-50.93	310.53	0.34	-50.59
CCCN(CCNC(=O)c1nsnc1[O-])C(C)=O	REAL250005080875	0	33	-1.0	-51.21	289.72	-0.48	-51.69
CCCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005080876	0	37	-1.0	-53.41	325.32	1.21	-52.20
CCCN(CCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005080877	0	34	-1.0	-59.30	300.99	-2.56	-61.86
CC=CC(=O)N(CCC)CCNC(=O)c1nsnc1[O-]	REAL250005080878	0	37	-1.0	-54.72	325.12	1.01	-53.71
C=CCC(=O)N(CCC)CCNC(=O)c1nsnc1[O-]	REAL250005080879	0	37	-1.0	-54.67	323.43	0.88	-53.79
CCCN(CCNC(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005080880	0	34	-1.0	-62.24	309.98	0.01	-62.23
C=CC(=O)N(CCC)CCNC(=O)c1nsnc1[O-]	REAL250005080881	0	34	-1.0	-51.21	303.40	0.13	-51.08
CC=CC(=O)NCCN(CCC)C(=O)c1nsnc1[O-]	REAL250005080882	0	37	-1.0	-57.05	323.60	1.55	-55.50
CCC(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080883	0	34	-1.0	-57.63	292.75	0.60	-57.03
CC(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080884	0	31	-1.0	-57.93	272.44	-0.21	-58.14
O=C(NCCN(C(=O)c1nsnc1[O-])C1CC1)C1CC1	REAL250005080885	0	35	-1.0	-57.17	302.63	1.36	-55.81
CCCC(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080886	0	37	-1.0	-57.35	314.25	1.36	-55.99
CC(C)C(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080887	0	37	-1.0	-57.14	312.30	1.27	-55.87
NC(=O)C(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080888	0	32	-1.0	-53.55	288.10	-4.07	-57.62
C=CCC(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080889	0	35	-1.0	-57.72	305.66	1.14	-56.58
O=C(CO)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080890	0	32	-1.0	-62.48	283.22	-2.32	-64.80
CCCC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080891	0	37	-1.0	-49.45	317.35	1.02	-48.43
CC(C)C(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080892	0	37	-1.0	-49.68	312.79	0.62	-49.06
CCC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080893	0	34	-1.0	-54.89	297.02	0.08	-54.81
CC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080894	0	31	-1.0	-54.85	275.51	-0.76	-55.61
O=C(NCCN(C(=O)C1CC1)C1CC1)c1nsnc1[O-]	REAL250005080895	0	35	-1.0	-50.09	308.13	0.97	-49.12
NC(=O)C(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080896	0	32	-1.0	-51.10	289.47	-4.54	-55.64
O=C(CO)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080897	0	32	-1.0	-59.73	287.51	-2.83	-62.56
CC(=O)C(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080898	0	33	-1.0	-50.53	296.00	-0.52	-51.05
CC=CC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080899	0	35	-1.0	-55.10	309.41	0.65	-54.45
C=CCC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080900	0	35	-1.0	-54.66	309.94	0.63	-54.03
N#CCC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080901	0	32	-1.0	-56.09	295.30	-0.06	-56.15
C=CC(=O)N(CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080902	0	32	-1.0	-51.35	289.19	0.06	-51.29
CC=CC(=O)NCCN(C(=O)c1nsnc1[O-])C1CC1	REAL250005080903	0	35	-1.0	-57.53	306.32	1.21	-56.32
CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080904	0	30	-1.0	-54.57	272.82	-1.22	-55.79
COCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080905	0	34	-1.0	-53.72	306.49	-2.15	-55.87
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005080906	0	31	-1.0	-54.45	283.54	-0.48	-54.93
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCC1	REAL250005080907	0	34	-1.0	-54.32	299.39	0.05	-54.27
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCCC1	REAL250005080908	0	37	-1.0	-54.04	313.28	0.53	-53.51
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005080909	0	34	-1.0	-54.51	304.03	0.34	-54.17
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)F	REAL250005080910	0	33	-1.0	-51.61	292.14	-0.82	-52.43
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(F)F	REAL250005080911	0	30	-1.0	-50.93	282.35	-1.16	-52.09
COCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080912	0	31	-1.0	-57.85	285.54	-1.83	-59.68
CCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080913	0	33	-1.0	-54.42	294.32	-0.46	-54.88
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccco1	REAL250005080914	0	31	-1.0	-54.78	289.97	-0.83	-55.61
CC(C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080915	0	36	-1.0	-54.05	311.05	0.14	-53.91
CC1CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080916	0	34	-1.0	-54.34	304.91	0.20	-54.14
CCOCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080917	0	34	-1.0	-57.93	307.40	-0.87	-58.80
CC(C)=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080918	0	34	-1.0	-53.66	301.90	0.07	-53.59
CSCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080919	0	31	-1.0	-56.99	295.88	-0.77	-57.76
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccc[nH]1	REAL250005080920	0	32	-1.0	-57.84	291.04	-0.85	-58.69
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccoc1	REAL250005080921	0	31	-1.0	-55.74	286.76	-1.26	-57.00
CCCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080922	0	36	-1.0	-54.45	315.82	0.33	-54.12
CC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080923	0	33	-1.0	-54.60	287.46	-0.84	-55.44
CCC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080924	0	36	-1.0	-54.25	305.85	-0.20	-54.45
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cc[nH]n1	REAL250005080925	0	31	-1.0	-56.88	288.53	-2.16	-59.04
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cn[nH]c1	REAL250005080926	0	31	-1.0	-56.14	285.61	-2.86	-59.00
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccon1	REAL250005080927	0	30	-1.0	-55.10	285.00	-1.39	-56.49
CCC=C(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080928	0	37	-1.0	-55.52	315.31	0.39	-55.13
COC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080929	0	34	-1.0	-57.63	300.49	-1.35	-58.98
C=CCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080930	0	34	-1.0	-54.40	307.13	0.11	-54.29
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cocn1	REAL250005080931	0	30	-1.0	-55.06	285.16	-3.42	-58.48
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCC1CC1	REAL250005080932	0	37	-1.0	-54.40	325.92	1.11	-53.29
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC=CC1	REAL250005080933	0	35	-1.0	-54.54	308.68	0.51	-54.03
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC1CCC1	REAL250005080934	0	37	-1.0	-54.49	321.00	0.85	-53.64
CC(C(=O)N(C)CCNC(=O)c1nsnc1[O-])C1CC1	REAL250005080935	0	37	-1.0	-54.81	319.04	0.69	-54.12
CC=C(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080936	0	34	-1.0	-55.18	302.08	-0.25	-55.43
CC1CC(C(=O)N(C)CCNC(=O)c2nsnc2[O-])C1	REAL250005080937	0	37	-1.0	-54.63	319.35	0.65	-53.98
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=C1CCC1	REAL250005080938	0	35	-1.0	-54.91	311.43	0.77	-54.14
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCCC1	REAL250005080939	0	35	-1.0	-55.09	304.20	0.31	-54.78
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1(C)C	REAL250005080940	0	37	-1.0	-53.70	319.41	0.74	-52.96
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H]1CC1(C)C	REAL250005080941	0	37	-1.0	-53.65	319.42	0.74	-52.91
C#CCCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080942	0	35	-1.0	-57.24	321.60	0.85	-56.39
CCC(C)=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080943	0	37	-1.0	-53.23	323.37	0.84	-52.39
CC(C)C#CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080944	0	35	-1.0	-55.11	323.06	0.81	-54.30
CN(CCNC(=O)c1nsnc1[O-])C(=O)C#CC1CC1	REAL250005080945	0	33	-1.0	-55.19	312.99	1.00	-54.19
C=C(C)CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080946	0	37	-1.0	-54.04	328.78	0.78	-53.26
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C)CC1	REAL250005080947	0	34	-1.0	-54.79	300.90	-0.16	-54.95
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1c[nH]nn1	REAL250005080948	0	30	-1.0	-54.50	284.24	-3.65	-58.15
CN(CCNC(=O)c1nsnc1[O-])C(=O)CC1(C)CC1	REAL250005080949	0	37	-1.0	-53.94	324.12	0.84	-53.10
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cnco1	REAL250005080950	0	30	-1.0	-55.55	285.32	-4.12	-59.67
C=CC(C)(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080951	0	37	-1.0	-55.48	311.01	-0.11	-55.59
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080952	0	34	-1.0	-54.39	304.20	0.19	-54.20
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C)CCC1	REAL250005080953	0	37	-1.0	-55.08	311.12	0.18	-54.90
CCC(F)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080954	0	33	-1.0	-55.60	299.89	-0.44	-56.04
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCCF	REAL250005080955	0	33	-1.0	-57.10	300.91	-0.32	-57.42
C[C@H]1C[C@@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080956	0	34	-1.0	-54.39	304.19	0.19	-54.20
C=CCCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080957	0	37	-1.0	-54.75	328.63	0.89	-53.86
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005080958	0	28	-1.0	-51.12	266.43	-5.84	-56.96
CC1CC1CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080959	0	37	-1.0	-54.68	325.41	1.01	-53.67
CCC1(C(=O)N(C)CCNC(=O)c2nsnc2[O-])CC1	REAL250005080960	0	37	-1.0	-55.21	322.71	0.58	-54.63
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)C	REAL250005080961	0	36	-1.0	-54.51	302.13	-0.52	-55.03
CC[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080962	0	37	-1.0	-54.47	325.59	0.96	-53.51
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC12CC2	REAL250005080963	0	35	-1.0	-54.88	315.25	0.99	-53.89
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1CC(=O)N1	REAL250005080964	0	32	-1.0	-61.36	296.10	-4.97	-66.33
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H]1CC(=O)N1	REAL250005080965	0	32	-1.0	-61.91	297.32	-4.59	-66.50
C=CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080966	0	31	-1.0	-54.75	285.73	-0.68	-55.43
CN(C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080967	0	35	-1.0	-54.80	306.32	-2.93	-57.73
C=CC(O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080968	0	32	-1.0	-54.89	289.62	-2.83	-57.72
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1COC1	REAL250005080969	0	32	-1.0	-54.32	288.87	-2.77	-57.09
CO[C@H](C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080970	0	34	-1.0	-57.17	302.74	-1.31	-58.48
CCC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080971	0	34	-1.0	-54.32	306.93	0.15	-54.17
CN(CCNC(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005080972	0	29	-1.0	-56.30	281.93	-5.31	-61.61
CN(CCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005080973	0	28	-1.0	-59.51	263.29	-4.12	-63.63
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CC(N)=O	REAL250005080974	0	32	-1.0	-55.56	302.24	-4.58	-60.14
CC(O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080975	0	31	-1.0	-55.67	280.34	-3.52	-59.19
C=CCC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080976	0	37	-1.0	-53.85	320.35	0.39	-53.46
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1F	REAL250005080977	0	31	-1.0	-59.99	288.74	-0.42	-60.41
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCF	REAL250005080978	0	30	-1.0	-53.06	279.41	-1.08	-54.14
CC(C(=O)N(C)CCNC(=O)c1nsnc1[O-])=C1CC1	REAL250005080979	0	35	-1.0	-56.15	309.78	0.61	-55.54
CCC1CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080980	0	37	-1.0	-54.42	325.58	0.96	-53.46
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CCF	REAL250005080981	0	31	-1.0	-56.03	292.03	-0.50	-56.53
C#CCCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080982	0	32	-1.0	-54.20	300.10	0.06	-54.14
CN(CCNC(=O)c1nsnc1[O-])C(=O)CN1CCC1	REAL250005080983	0	36	-1.0	-55.59	314.46	-3.32	-58.91
C#C[C@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080984	0	33	-1.0	-57.46	306.39	0.69	-56.77
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1C2CCC21	REAL250005080985	0	35	-1.0	-54.22	305.49	0.85	-53.37
C=C1CCC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080986	0	35	-1.0	-53.63	308.76	0.40	-53.23
C[C@H]1C(C(=O)N(C)CCNC(=O)c2nsnc2[O-])[C@H]1C	REAL250005080987	0	37	-1.0	-53.45	312.79	0.71	-52.74
CC=CC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080988	0	35	-1.0	-54.60	321.01	0.82	-53.78
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCO1	REAL250005080989	0	32	-1.0	-59.47	290.29	-1.65	-61.12
CN(CCNC(=O)c1nsnc1[O-])C(=O)CCN=[N+]=[N-]	REAL250005080990	0	32	-1.0	-53.07	302.96	-4.61	-57.68
C#CCOCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080991	0	33	-1.0	-60.71	313.18	-0.34	-61.05
CN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)(C)O	REAL250005080992	0	34	-1.0	-51.84	297.98	-3.60	-55.44
CC1=CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080993	0	32	-1.0	-55.01	297.85	0.24	-54.77
C=C1CC(C(=O)N(C)CCNC(=O)c2nsnc2[O-])C1	REAL250005080994	0	35	-1.0	-53.99	311.73	0.51	-53.48
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cnc[nH]1	REAL250005080995	0	31	-1.0	-58.68	285.78	-1.09	-59.77
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCCO1	REAL250005080996	0	33	-1.0	-52.89	298.36	-1.06	-53.95
C[C@@H](O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080997	0	31	-1.0	-59.16	279.13	-3.59	-62.75
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CCO	REAL250005080998	0	32	-1.0	-57.74	296.95	-3.97	-61.71
COC(F)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005080999	0	31	-1.0	-57.99	290.79	-2.39	-60.38
CN(CCNC(=O)c1nsnc1[O-])C(=O)C12CC1CC2	REAL250005081000	0	35	-1.0	-54.79	308.86	0.62	-54.17
C=C[C@H](C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081001	0	37	-1.0	-53.80	324.10	0.69	-53.11
CN(CCNC(=O)c1nsnc1[O-])C(=O)C=CC1CC1	REAL250005081002	0	35	-1.0	-54.39	317.81	0.96	-53.43
CC=C(CC)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081003	0	37	-1.0	-54.83	327.70	0.64	-54.19
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005081004	0	32	-1.0	-55.92	289.25	-0.08	-56.00
CON=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081005	0	31	-1.0	-56.44	294.74	-2.67	-59.11
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(F)CC1	REAL250005081006	0	31	-1.0	-53.50	289.06	-0.46	-53.96
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=NOCC1	REAL250005081007	0	32	-1.0	-51.44	294.41	-2.07	-53.51
C#CC(C)(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081008	0	35	-1.0	-57.68	308.01	-0.09	-57.77
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ncc[nH]1	REAL250005081009	0	31	-1.0	-54.33	288.76	-1.63	-55.96
CCCC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081010	0	37	-1.0	-54.20	328.43	0.93	-53.27
CC=C(F)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081011	0	31	-1.0	-51.71	288.65	-0.64	-52.35
CN(CCNC(=O)CC1CC1)C(=O)c1nsnc1[O-]	REAL250005081012	0	34	-1.0	-56.64	301.65	0.63	-56.01
CN(CCNC(=O)C(C)(C)F)C(=O)c1nsnc1[O-]	REAL250005081013	0	33	-1.0	-53.04	296.39	-0.20	-53.24
CN(CCNC(=O)C(C)(F)F)C(=O)c1nsnc1[O-]	REAL250005081014	0	30	-1.0	-52.49	282.57	-0.72	-53.21
COCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081015	0	31	-1.0	-59.49	283.44	-1.55	-61.04
CCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081016	0	33	-1.0	-56.28	292.21	-0.15	-56.43
CN(CCNC(=O)c1ccco1)C(=O)c1nsnc1[O-]	REAL250005081017	0	31	-1.0	-56.46	290.35	-0.59	-57.05
CC(C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081018	0	36	-1.0	-55.88	308.94	0.44	-55.44
CC1CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081019	0	34	-1.0	-56.26	302.62	0.54	-55.72
CCOCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081020	0	34	-1.0	-59.56	305.29	-0.59	-60.15
CC(C)=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081021	0	34	-1.0	-55.75	300.06	0.42	-55.33
CSCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081022	0	31	-1.0	-58.48	293.78	-0.49	-58.97
CN(CCNC(=O)c1ccc[nH]1)C(=O)c1nsnc1[O-]	REAL250005081023	0	32	-1.0	-58.90	293.23	-0.81	-59.71
CN(CCNC(=O)c1ccoc1)C(=O)c1nsnc1[O-]	REAL250005081024	0	31	-1.0	-59.85	289.51	-0.62	-60.47
CCCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081025	0	36	-1.0	-56.32	313.71	0.63	-55.69
CC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081026	0	33	-1.0	-56.23	290.26	-0.24	-56.47
CCC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081027	0	36	-1.0	-56.06	308.39	0.41	-55.65
CN(CCNC(=O)c1cc[nH]n1)C(=O)c1nsnc1[O-]	REAL250005081028	0	31	-1.0	-58.96	288.94	-2.15	-61.11
CN(CCNC(=O)c1cn[nH]c1)C(=O)c1nsnc1[O-]	REAL250005081029	0	31	-1.0	-57.63	288.22	-2.17	-59.80
CN(CCNC(=O)c1ccon1)C(=O)c1nsnc1[O-]	REAL250005081030	0	30	-1.0	-56.93	284.82	-1.36	-58.29
CCC=C(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081031	0	37	-1.0	-56.27	319.30	1.19	-55.08
COC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081032	0	34	-1.0	-59.20	303.22	-0.85	-60.05
C=CCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081033	0	34	-1.0	-55.88	305.03	0.41	-55.47
CN(CCNC(=O)c1cocn1)C(=O)c1nsnc1[O-]	REAL250005081034	0	30	-1.0	-57.03	285.13	-4.00	-61.03
CC(C#N)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081035	0	31	-1.0	-62.30	289.69	-0.62	-62.92
CN(CCNC(=O)CCC1CC1)C(=O)c1nsnc1[O-]	REAL250005081036	0	37	-1.0	-56.40	323.84	1.43	-54.97
CN(CCNC(=O)C1CC=CC1)C(=O)c1nsnc1[O-]	REAL250005081037	0	35	-1.0	-55.94	306.27	0.86	-55.08
CN(CCNC(=O)CC1CCC1)C(=O)c1nsnc1[O-]	REAL250005081038	0	37	-1.0	-56.58	318.63	1.15	-55.43
CC(C(=O)NCCN(C)C(=O)c1nsnc1[O-])C1CC1	REAL250005081039	0	37	-1.0	-56.59	319.58	1.21	-55.38
CC=C(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081040	0	34	-1.0	-56.69	299.03	0.37	-56.32
CC1CC(C(=O)NCCN(C)C(=O)c2nsnc2[O-])C1	REAL250005081041	0	37	-1.0	-56.99	317.88	1.01	-55.98
CN(CCNC(=O)C=C1CCC1)C(=O)c1nsnc1[O-]	REAL250005081042	0	35	-1.0	-56.77	309.89	1.09	-55.68
CN(CCNC(=O)C1=CCCC1)C(=O)c1nsnc1[O-]	REAL250005081043	0	35	-1.0	-56.45	307.30	0.95	-55.50
CN(CCNC(=O)C1CC1(C)C)C(=O)c1nsnc1[O-]	REAL250005081044	0	37	-1.0	-55.66	317.83	1.08	-54.58
CN(CCNC(=O)[C@H]1CC1(C)C)C(=O)c1nsnc1[O-]	REAL250005081045	0	37	-1.0	-55.77	317.86	1.09	-54.68
C#CCCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081046	0	35	-1.0	-59.06	319.49	1.15	-57.91
CCC(C)=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081047	0	37	-1.0	-55.23	321.79	1.18	-54.05
CC(C)C#CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081048	0	35	-1.0	-56.40	320.11	1.11	-55.29
CN(CCNC(=O)C#CC1CC1)C(=O)c1nsnc1[O-]	REAL250005081049	0	33	-1.0	-56.64	309.78	1.28	-55.36
CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081050	0	30	-1.0	-56.57	270.72	-0.91	-57.48
COCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081051	0	34	-1.0	-55.47	304.39	-1.84	-57.31
CN(CCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005081052	0	31	-1.0	-56.16	280.50	-0.12	-56.28
CN(CCNC(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005081053	0	34	-1.0	-56.36	296.92	0.35	-56.01
CN(CCNC(=O)C1CCCC1)C(=O)c1nsnc1[O-]	REAL250005081054	0	37	-1.0	-56.50	313.78	0.98	-55.52
C=CCCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081055	0	37	-1.0	-56.63	326.52	1.19	-55.44
CN(CCNC(=O)C(N)=O)C(=O)c1nsnc1[O-]	REAL250005081056	0	28	-1.0	-53.08	266.06	-5.59	-58.67
CC1CC1CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081057	0	37	-1.0	-56.61	323.05	1.30	-55.31
CCC1(C(=O)NCCN(C)C(=O)c2nsnc2[O-])CC1	REAL250005081058	0	37	-1.0	-56.53	322.69	1.07	-55.46
CN(CCNC(=O)C(C)(C)C)C(=O)c1nsnc1[O-]	REAL250005081059	0	36	-1.0	-56.11	309.15	0.32	-55.79
C=C(C)CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081060	0	37	-1.0	-55.57	326.64	1.08	-54.49
CC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081061	0	37	-1.0	-56.11	323.29	1.32	-54.79
CN(CCNC(=O)C1CC12CC2)C(=O)c1nsnc1[O-]	REAL250005081062	0	35	-1.0	-56.58	313.69	1.33	-55.25
CN(CCNC(=O)CC1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005081063	0	37	-1.0	-56.02	321.62	1.15	-54.87
CN(CCNC(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005081064	0	34	-1.0	-55.95	298.25	0.48	-55.47
CN(CCNC(=O)c1cc[nH]c1)C(=O)c1nsnc1[O-]	REAL250005081065	0	32	-1.0	-62.68	293.37	-0.74	-63.42
CN(CCNC(=O)c1cnco1)C(=O)c1nsnc1[O-]	REAL250005081066	0	30	-1.0	-56.46	285.14	-3.89	-60.35
C=CC(C)(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081067	0	37	-1.0	-56.05	317.91	0.72	-55.33
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081068	0	34	-1.0	-56.11	302.10	0.56	-55.55
CN(CCNC(=O)C1(C)CCC1)C(=O)c1nsnc1[O-]	REAL250005081069	0	37	-1.0	-56.01	313.91	0.91	-55.10
CCC(F)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081070	0	33	-1.0	-57.38	298.49	-0.11	-57.49
CN(CCNC(=O)CCCF)C(=O)c1nsnc1[O-]	REAL250005081071	0	33	-1.0	-58.92	298.80	-0.01	-58.93
C[C@H]1C[C@@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081072	0	34	-1.0	-56.12	301.88	0.55	-55.57
CN(CCNC(=O)c1c[nH]nn1)C(=O)c1nsnc1[O-]	REAL250005081073	0	30	-1.0	-56.63	284.18	-3.60	-60.23
CN(CCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005081074	0	28	-1.0	-61.26	261.18	-3.83	-65.09
CN(CCNC(=O)C=CC(N)=O)C(=O)c1nsnc1[O-]	REAL250005081075	0	32	-1.0	-57.49	300.68	-4.27	-61.76
CN(CCNC(=O)C1CCO1)C(=O)c1nsnc1[O-]	REAL250005081076	0	32	-1.0	-58.44	287.50	-1.34	-59.78
CN(CCNC(=O)C1=CCCO1)C(=O)c1nsnc1[O-]	REAL250005081077	0	33	-1.0	-55.27	298.83	-1.02	-56.29
CN(CCNC(=O)C1COC1)C(=O)c1nsnc1[O-]	REAL250005081078	0	32	-1.0	-56.44	288.07	-2.41	-58.85
CN(CCNC(=O)C=CCO)C(=O)c1nsnc1[O-]	REAL250005081079	0	32	-1.0	-59.57	295.39	-3.67	-63.24
CCC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081080	0	34	-1.0	-56.28	305.38	0.46	-55.82
CN(CCNC(=O)CCN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005081081	0	32	-1.0	-54.30	300.84	-4.30	-58.60
C#CCOCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081082	0	33	-1.0	-62.34	311.08	-0.06	-62.40
C#CCCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081083	0	32	-1.0	-55.95	298.00	0.37	-55.58
CC=CC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081084	0	35	-1.0	-56.63	319.45	1.13	-55.50
C#CCC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081085	0	35	-1.0	-55.53	315.87	0.94	-54.59
C=CC(O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081086	0	32	-1.0	-56.13	294.72	-2.50	-58.63
CN(CCNC(=O)C12CC1CC2)C(=O)c1nsnc1[O-]	REAL250005081087	0	35	-1.0	-56.75	309.69	1.07	-55.68
C=C[C@H](C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081088	0	37	-1.0	-55.47	321.72	0.97	-54.50
CN(CCNC(=O)C=CC1CC1)C(=O)c1nsnc1[O-]	REAL250005081089	0	35	-1.0	-56.30	316.27	1.27	-55.03
CCC(C#N)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081090	0	34	-1.0	-58.63	310.32	0.03	-58.60
CN(CCNC(=O)C1C2CCC21)C(=O)c1nsnc1[O-]	REAL250005081091	0	35	-1.0	-57.01	303.94	1.19	-55.82
C=C1CCC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081092	0	35	-1.0	-55.12	309.54	0.85	-54.27
C[C@H]1C(C(=O)NCCN(C)C(=O)c2nsnc2[O-])[C@H]1C	REAL250005081093	0	37	-1.0	-55.28	310.92	1.04	-54.24
CC(O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081094	0	31	-1.0	-57.32	281.51	-3.05	-60.37
CC(=O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081095	0	29	-1.0	-52.53	273.46	-1.78	-54.31
CN(CCNC(=O)CCCC#N)C(=O)c1nsnc1[O-]	REAL250005081096	0	34	-1.0	-64.44	313.07	0.37	-64.07
CN(CCNC(=O)C1(C#N)CC1)C(=O)c1nsnc1[O-]	REAL250005081097	0	32	-1.0	-56.14	299.76	0.13	-56.01
C=C1CC(C(=O)NCCN(C)C(=O)c2nsnc2[O-])C1	REAL250005081098	0	35	-1.0	-55.66	310.96	0.87	-54.79
CN(CCNC(=O)C1(F)CC1)C(=O)c1nsnc1[O-]	REAL250005081099	0	31	-1.0	-52.54	286.56	-0.05	-52.59
CC(CC#N)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081100	0	34	-1.0	-55.85	309.44	0.12	-55.73
CCC1CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081101	0	37	-1.0	-56.09	318.56	1.31	-54.78
CCCC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081102	0	37	-1.0	-56.16	326.88	1.23	-54.93
CC=C(F)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081103	0	31	-1.0	-53.07	289.26	-0.24	-53.31
CC(=O)C=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081104	0	33	-1.0	-56.14	307.67	-0.41	-56.55
CN(CCNC(=O)c1ncc[nH]1)C(=O)c1nsnc1[O-]	REAL250005081105	0	31	-1.0	-56.65	289.18	-1.87	-58.52
CC(CO)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081106	0	34	-1.0	-55.58	300.85	-3.53	-59.11
CN(CCNC(=O)c1cnoc1)C(=O)c1nsnc1[O-]	REAL250005081107	0	30	-1.0	-55.72	284.45	-1.19	-56.91
CN(CCNC(=O)C(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005081108	0	33	-1.0	-52.69	304.07	-0.17	-52.86
CN(CCNC(=O)[C@@H]1C[C@@H]1C#N)C(=O)c1nsnc1[O-]	REAL250005081109	0	32	-1.0	-67.73	298.22	0.16	-67.57
CN(CCNC(=O)C1=COCC1)C(=O)c1nsnc1[O-]	REAL250005081110	0	33	-1.0	-56.73	297.43	-1.07	-57.80
CN(CCNC(=O)C1(O)CC1)C(=O)c1nsnc1[O-]	REAL250005081111	0	32	-1.0	-55.49	288.81	-3.19	-58.68
CN(CCNC(=O)C1=CCC1)C(=O)c1nsnc1[O-]	REAL250005081112	0	32	-1.0	-57.30	291.72	0.43	-56.87
CC(CF)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081113	0	33	-1.0	-54.22	296.06	-0.12	-54.34
CC=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081114	0	31	-1.0	-56.62	284.29	-0.31	-56.93
CN(CCNC(=O)C=CCF)C(=O)c1nsnc1[O-]	REAL250005081115	0	31	-1.0	-57.92	290.47	-0.19	-58.11
CN(CCNC(=O)c1ccno1)C(=O)c1nsnc1[O-]	REAL250005081116	0	30	-1.0	-53.75	284.83	-1.17	-54.92
CN(CCNC(=O)CN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005081117	0	29	-1.0	-58.42	279.83	-4.97	-63.39
C[C@H](O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081118	0	31	-1.0	-56.20	281.53	-3.04	-59.24
CON=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081119	0	31	-1.0	-57.84	293.18	-2.34	-60.18
C#CC1(C(=O)NCCN(C)C(=O)c2nsnc2[O-])CC1	REAL250005081120	0	33	-1.0	-54.92	306.19	0.95	-53.97
C=CC=CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081121	0	35	-1.0	-56.79	318.88	1.05	-55.74
C#C[C@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081122	0	33	-1.0	-59.58	304.14	1.03	-58.55
CC=C(CC)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081123	0	37	-1.0	-56.58	320.06	1.08	-55.50
COC(F)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081124	0	31	-1.0	-59.01	289.33	-2.07	-61.08
CN(CCNC(=O)[C@@H]1C[C@H]1C#N)C(=O)c1nsnc1[O-]	REAL250005081125	0	32	-1.0	-55.95	302.26	0.28	-55.67
C=CCC(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081126	0	37	-1.0	-55.53	322.89	1.00	-54.53
C[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081127	0	34	-1.0	-56.11	302.10	0.56	-55.55
CN(CCNC(=O)C(C)(C)O)C(=O)c1nsnc1[O-]	REAL250005081128	0	34	-1.0	-54.64	301.20	-3.48	-58.12
CN(CCNC(=O)C1=NOCC1)C(=O)c1nsnc1[O-]	REAL250005081129	0	32	-1.0	-53.26	294.78	-2.06	-55.32
CC(C#N)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081130	0	34	-1.0	-55.77	308.26	0.12	-55.65
CN(CCNC(=O)[C@H](O)CF)C(=O)c1nsnc1[O-]	REAL250005081131	0	31	-1.0	-57.81	287.83	-2.89	-60.70
C=C(C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081132	0	34	-1.0	-56.24	305.24	0.28	-55.96
CN(CCNC(=O)C(C)(C)C#N)C(=O)c1nsnc1[O-]	REAL250005081133	0	34	-1.0	-61.41	308.54	-0.11	-61.52
CC(C)=C(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081134	0	37	-1.0	-55.87	315.15	1.11	-54.76
C=CCC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081135	0	31	-1.0	-56.39	283.63	-0.37	-56.76
CN(C)CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081136	0	35	-1.0	-56.65	304.22	-2.58	-59.23
CN(CCNC(=O)CC#N)C(=O)c1nsnc1[O-]	REAL250005081137	0	28	-1.0	-64.36	270.18	-1.24	-65.60
CN(CCNC(=O)C1CC1F)C(=O)c1nsnc1[O-]	REAL250005081138	0	31	-1.0	-54.23	288.04	-0.04	-54.27
CN(CCNC(=O)CCF)C(=O)c1nsnc1[O-]	REAL250005081139	0	30	-1.0	-54.86	277.31	-0.77	-55.63
CN(CCNC(=O)C1C=CCC1)C(=O)c1nsnc1[O-]	REAL250005081140	0	35	-1.0	-55.64	305.55	0.91	-54.73
C#CC(C)(C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081141	0	35	-1.0	-58.39	314.97	0.76	-57.63
CO[C@H](C)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081142	0	34	-1.0	-59.24	303.24	-0.85	-60.09
C[C@@H](O)C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081143	0	31	-1.0	-57.35	281.53	-3.04	-60.39
CN(CCNC(=O)CN1CCC1)C(=O)c1nsnc1[O-]	REAL250005081144	0	36	-1.0	-57.63	312.10	-2.99	-60.62
C=C1CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081145	0	32	-1.0	-56.10	294.81	0.43	-55.67
CN(CCNC(=O)C1CC(=O)N1)C(=O)c1nsnc1[O-]	REAL250005081146	0	32	-1.0	-61.59	294.84	-4.44	-66.03
CN(CCNC(=O)[C@@H]1CC(=O)N1)C(=O)c1nsnc1[O-]	REAL250005081147	0	32	-1.0	-62.10	294.93	-4.20	-66.30
CN(CCNC(=O)c1cnc[nH]1)C(=O)c1nsnc1[O-]	REAL250005081148	0	31	-1.0	-59.57	288.05	-1.07	-60.64
CN(CCNC(=O)C1CC(=O)C1)C(=O)c1nsnc1[O-]	REAL250005081149	0	33	-1.0	-57.07	300.17	-0.56	-57.63
CC(C(=O)NCCN(C)C(=O)c1nsnc1[O-])=C1CC1	REAL250005081150	0	35	-1.0	-57.16	313.51	1.33	-55.83
CC1=CC1C(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081151	0	32	-1.0	-56.82	296.29	0.56	-56.26
CN(CCNC(=O)[C@H]1CC(=O)N1)C(=O)c1nsnc1[O-]	REAL250005081152	0	32	-1.0	-63.35	294.67	-4.55	-67.90
C=CC(=O)NCCN(C)C(=O)c1nsnc1[O-]	REAL250005081153	0	28	-1.0	-56.69	262.57	-1.19	-57.88
CC(CO)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081154	0	34	-1.0	-53.87	298.31	-4.13	-58.00
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1cnoc1	REAL250005081155	0	30	-1.0	-52.51	276.02	-1.95	-54.46
C#CC1(C(=O)N(C)CCNC(=O)c2nsnc2[O-])CC1	REAL250005081156	0	33	-1.0	-54.00	304.11	0.27	-53.73
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1=COCC1	REAL250005081157	0	33	-1.0	-54.92	293.29	-1.68	-56.60
C[C@H](O)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081158	0	31	-1.0	-55.49	278.78	-3.56	-59.05
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1C=CCC1	REAL250005081159	0	35	-1.0	-53.74	307.69	0.50	-53.24
C=C1CC1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081160	0	32	-1.0	-54.32	296.83	0.08	-54.24
CC(CF)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081161	0	33	-1.0	-52.54	293.52	-0.72	-53.26
C=C(C)CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081162	0	34	-1.0	-54.21	307.35	-0.03	-54.24
CC(C)=C(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081163	0	37	-1.0	-54.98	324.64	0.56	-54.42
CC=CC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081164	0	31	-1.0	-54.55	285.84	-0.61	-55.16
C[C@@H]1C[C@H]1C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081165	0	34	-1.0	-54.39	304.20	0.19	-54.20
C=CC=CCC(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081166	0	35	-1.0	-55.28	320.98	0.74	-54.54
C#CCC(C)C(=O)N(C)CCNC(=O)c1nsnc1[O-]	REAL250005081167	0	35	-1.0	-53.92	313.32	0.34	-53.58
CN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H](O)CF	REAL250005081168	0	31	-1.0	-52.98	287.05	-3.37	-56.35
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1(O)CC1	REAL250005081169	0	32	-1.0	-51.80	294.21	-3.73	-55.53
CN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC(=O)N1	REAL250005081170	0	32	-1.0	-61.39	297.04	-4.86	-66.25
CN(CCNC(=O)c1nsnc1[O-])C(=O)c1ccno1	REAL250005081171	0	30	-1.0	-52.45	285.02	-1.58	-54.03
CC(=O)N1CCC(C(C)NC(=O)c2nsnc2[O-])CC1	REAL250005081172	0	37	-1.0	-56.09	307.64	0.49	-55.60
CC(=O)NC(C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005081173	0	37	-1.0	-56.19	305.41	0.69	-55.50
CC(=O)NCCCN(C(=O)c1nsnc1[O-])C(C)C	REAL250005081174	0	36	-1.0	-53.38	304.19	0.57	-52.81
CC(=O)N(CCCNC(=O)c1nsnc1[O-])C(C)C	REAL250005081175	0	36	-1.0	-49.58	307.16	0.22	-49.36
C=CC(=O)N(CCCNC(=O)c1nsnc1[O-])C(C)C	REAL250005081176	0	37	-1.0	-53.23	318.75	0.57	-52.66
CCCN(C(C)=O)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081177	0	37	-1.0	-56.67	306.96	1.93	-54.74
CCCN(C(=O)c1nsnc1[O-])C1CCN(C(C)=O)C1	REAL250005081178	0	37	-1.0	-60.33	305.78	2.08	-58.25
CCC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081179	0	37	-1.0	-59.96	316.99	0.57	-59.39
CC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081180	0	34	-1.0	-60.13	296.68	-0.24	-60.37
CCC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005081181	0	37	-1.0	-51.61	320.21	0.40	-51.21
CC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005081182	0	34	-1.0	-57.44	298.01	-0.54	-57.98
C=CC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005081183	0	35	-1.0	-57.38	311.45	0.06	-57.32
CCC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005081184	0	37	-1.0	-57.14	311.66	1.95	-55.19
CC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005081185	0	34	-1.0	-66.63	288.27	0.98	-65.65
CCC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081186	0	37	-1.0	-61.36	310.08	1.85	-59.51
CC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081187	0	34	-1.0	-59.16	289.62	0.95	-58.21
C=CC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081188	0	35	-1.0	-61.58	301.09	1.56	-60.02
CC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])CC1	REAL250005081189	0	37	-1.0	-61.81	301.07	1.80	-60.01
CC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005081190	0	37	-1.0	-52.66	300.64	1.76	-50.90
CCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081191	0	34	-1.0	-61.68	291.82	-0.19	-61.87
CC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081192	0	31	-1.0	-61.88	271.50	-0.96	-62.84
O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081193	0	35	-1.0	-55.02	301.75	0.53	-54.49
CCCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081194	0	37	-1.0	-54.80	313.32	0.58	-54.22
CC(C)C(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081195	0	37	-1.0	-50.69	309.64	0.26	-50.43
NC(=O)C(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081196	0	32	-1.0	-54.08	284.37	-5.08	-59.16
C=CCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081197	0	35	-1.0	-61.55	304.81	0.35	-61.20
O=C(CO)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081198	0	32	-1.0	-67.36	282.29	-3.08	-70.44
CCCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081199	0	37	-1.0	-59.65	310.47	0.79	-58.86
CC(C)C(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081200	0	37	-1.0	-61.46	308.26	0.64	-60.82
CCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081201	0	34	-1.0	-61.64	288.71	-0.03	-61.67
CC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081202	0	31	-1.0	-61.75	268.43	-0.85	-62.60
O=C(N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081203	0	35	-1.0	-61.70	299.22	0.75	-60.95
NC(=O)C(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081204	0	32	-1.0	-55.73	284.07	-4.68	-60.41
O=C(CO)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081205	0	32	-1.0	-67.24	279.18	-2.95	-70.19
CC(=O)C(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081206	0	33	-1.0	-55.66	290.44	-0.89	-56.55
CC=CC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081207	0	35	-1.0	-61.73	302.29	0.60	-61.13
C=CCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081208	0	35	-1.0	-61.53	301.63	0.52	-61.01
N#CCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081209	0	32	-1.0	-71.28	288.17	-0.35	-71.63
C=CC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081210	0	32	-1.0	-61.76	280.57	-0.29	-62.05
CC=CC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081211	0	35	-1.0	-62.44	304.28	0.39	-62.05
CCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081212	0	34	-1.0	-61.64	288.77	0.00	-61.64
CC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081213	0	31	-1.0	-57.80	268.11	-0.83	-58.63
O=C(N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081214	0	35	-1.0	-62.50	299.49	0.79	-61.71
CCCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081215	0	37	-1.0	-62.07	310.04	0.75	-61.32
CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081216	0	37	-1.0	-59.37	308.47	0.69	-58.68
NC(=O)C(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081217	0	32	-1.0	-56.22	284.30	-4.64	-60.86
C=CCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081218	0	35	-1.0	-61.83	301.65	0.54	-61.29
O=C(CO)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081219	0	32	-1.0	-67.24	279.21	-2.92	-70.16
CCCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081220	0	37	-1.0	-54.79	313.36	0.58	-54.21
CC(C)C(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081221	0	37	-1.0	-54.98	310.27	0.28	-54.70
CCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081222	0	34	-1.0	-61.75	291.81	-0.18	-61.93
CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081223	0	31	-1.0	-47.86	269.82	-1.06	-48.92
O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081224	0	35	-1.0	-54.91	301.62	0.54	-54.37
NC(=O)C(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081225	0	32	-1.0	-54.34	284.62	-5.00	-59.34
O=C(CO)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081226	0	32	-1.0	-67.33	282.32	-3.09	-70.42
CC(=O)C(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081227	0	33	-1.0	-54.63	292.10	-1.17	-55.80
CC=CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081228	0	35	-1.0	-62.49	304.33	0.39	-62.10
C=CCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081229	0	35	-1.0	-61.84	304.73	0.35	-61.49
N#CCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081230	0	32	-1.0	-70.33	291.31	-0.50	-70.83
C=CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081231	0	32	-1.0	-62.37	282.60	-0.49	-62.86
CC=CC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081232	0	35	-1.0	-57.65	302.28	0.62	-57.03
CCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081233	0	34	-1.0	-61.64	288.71	-0.03	-61.67
CC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081234	0	31	-1.0	-61.75	268.43	-0.85	-62.60
O=C(N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081235	0	35	-1.0	-61.70	299.22	0.75	-60.95
CCCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081236	0	37	-1.0	-59.65	310.47	0.79	-58.86
CC(C)C(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081237	0	37	-1.0	-61.46	308.26	0.64	-60.82
NC(=O)C(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081238	0	32	-1.0	-55.73	284.07	-4.68	-60.41
C=CCC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081239	0	35	-1.0	-61.53	301.63	0.52	-61.01
O=C(CO)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081240	0	32	-1.0	-67.24	279.18	-2.95	-70.19
CCCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081241	0	37	-1.0	-54.80	313.32	0.58	-54.22
CC(C)C(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081242	0	37	-1.0	-50.69	309.64	0.26	-50.43
CCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081243	0	34	-1.0	-61.68	291.82	-0.19	-61.87
CC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081244	0	31	-1.0	-61.88	271.50	-0.96	-62.84
O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081245	0	35	-1.0	-55.02	301.75	0.53	-54.49
NC(=O)C(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081246	0	32	-1.0	-54.08	284.37	-5.08	-59.16
O=C(CO)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081247	0	32	-1.0	-67.36	282.29	-3.08	-70.44
CC(=O)C(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081248	0	33	-1.0	-54.63	292.06	-1.18	-55.81
CC=CC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081249	0	35	-1.0	-62.44	304.28	0.39	-62.05
C=CCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081250	0	35	-1.0	-61.55	304.81	0.35	-61.20
N#CCC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081251	0	32	-1.0	-70.35	291.31	-0.50	-70.85
C=CC(=O)N1CCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081252	0	32	-1.0	-61.77	282.56	-0.49	-62.26
CC=CC(=O)N[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081253	0	35	-1.0	-61.73	302.29	0.60	-61.13
CCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081254	0	28	-1.0	-50.40	259.98	-1.67	-52.07
COCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081255	0	32	-1.0	-50.70	293.65	-2.60	-53.30
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081256	0	29	-1.0	-50.46	270.51	-0.90	-51.36
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005081257	0	32	-1.0	-54.19	286.59	-0.32	-54.51
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CCCC1	REAL250005081258	0	35	-1.0	-54.03	303.63	0.29	-53.74
O=C(CC1CC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081259	0	32	-1.0	-54.88	290.79	-0.05	-54.93
CC(C)(F)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081260	0	31	-1.0	-51.12	286.79	-1.02	-52.14
CC(F)(F)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081261	0	28	-1.0	-50.64	271.83	-1.49	-52.13
COCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081262	0	29	-1.0	-52.59	272.70	-2.31	-54.90
CCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081263	0	31	-1.0	-50.14	281.48	-0.90	-51.04
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1ccco1	REAL250005081264	0	29	-1.0	-54.10	279.47	-1.28	-55.38
CC(=O)NCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081265	0	32	-1.0	-54.39	298.66	-4.00	-58.39
CC(C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081266	0	34	-1.0	-49.82	298.20	-0.32	-50.14
CC1CC1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081267	0	32	-1.0	-54.31	291.85	-0.23	-54.54
CCOCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081268	0	32	-1.0	-52.57	294.55	-1.36	-53.93
CC(C)=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081269	0	32	-1.0	-50.51	289.12	-0.38	-50.89
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CCCO1	REAL250005081270	0	33	-1.0	-52.75	296.01	-1.12	-53.87
CSCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081271	0	29	-1.0	-51.81	283.04	-1.24	-53.05
CC(C)CCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081272	0	37	-1.0	-50.02	320.54	0.38	-49.64
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1ccc[nH]1	REAL250005081273	0	30	-1.0	-52.05	282.39	-1.49	-53.54
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1ccoc1	REAL250005081274	0	29	-1.0	-57.60	278.59	-1.29	-58.89
CCCCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081275	0	37	-1.0	-50.07	324.47	0.66	-49.41
CC(C)(C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081276	0	37	-1.0	-49.33	313.17	0.21	-49.12
CCCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081277	0	34	-1.0	-50.16	302.97	-0.12	-50.28
CC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081278	0	31	-1.0	-50.06	279.53	-1.01	-51.07
CCC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081279	0	34	-1.0	-54.21	297.63	-0.36	-54.57
CCC(CC)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081280	0	37	-1.0	-49.59	313.92	0.10	-49.49
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1cc[nH]n1	REAL250005081281	0	29	-1.0	-55.80	278.19	-2.93	-58.73
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1cn[nH]c1	REAL250005081282	0	29	-1.0	-53.60	277.48	-2.94	-56.54
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1ccon1	REAL250005081283	0	28	-1.0	-55.38	274.08	-2.13	-57.51
CCC=C(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081284	0	35	-1.0	-50.51	308.61	0.35	-50.16
COC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081285	0	32	-1.0	-52.07	291.69	-1.56	-53.63
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CCOC1	REAL250005081286	0	33	-1.0	-54.30	293.76	-2.32	-56.62
C=CCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081287	0	32	-1.0	-50.07	294.29	-0.34	-50.41
C=CCOCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081288	0	33	-1.0	-52.70	307.46	-0.78	-53.48
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1cocn1	REAL250005081289	0	28	-1.0	-54.74	274.26	-4.68	-59.42
CCCC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081290	0	37	-1.0	-49.76	319.15	0.40	-49.36
O=C(CCC1CC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081291	0	35	-1.0	-50.38	312.97	0.76	-49.62
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CC=CC1	REAL250005081292	0	33	-1.0	-50.03	295.53	0.08	-49.95
O=C(CC1CCC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081293	0	35	-1.0	-54.77	307.72	0.48	-54.29
CC(C(=O)NC1CN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081294	0	35	-1.0	-49.98	309.40	0.56	-49.42
CC=C(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081295	0	32	-1.0	-54.33	288.27	-0.39	-54.72
CC1CC(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005081296	0	35	-1.0	-54.24	307.58	0.34	-53.90
O=C(C=C1CCC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081297	0	33	-1.0	-54.49	299.01	0.40	-54.09
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1=CCCC1	REAL250005081298	0	33	-1.0	-53.83	296.39	0.28	-53.55
CC1(C)CC1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081299	0	35	-1.0	-50.08	306.97	0.42	-49.66
CC1(C)C[C@@H]1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081300	0	35	-1.0	-49.96	307.12	0.32	-49.64
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)[C@@H]1CCCO1	REAL250005081301	0	33	-1.0	-51.97	296.14	-1.09	-53.06
CCC(C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081302	0	37	-1.0	-49.83	316.43	0.35	-49.48
C#CCCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081303	0	33	-1.0	-52.29	308.75	0.40	-51.89
CCC(C)=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081304	0	35	-1.0	-50.20	311.13	0.39	-49.81
CC(C)C#CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081305	0	33	-1.0	-52.12	309.36	0.35	-51.77
O=C(C#CC1CC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081306	0	31	-1.0	-52.57	298.92	0.61	-51.96
C=C(C)CCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081307	0	35	-1.0	-49.99	315.90	0.32	-49.67
CC1(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081308	0	32	-1.0	-50.27	288.26	-0.30	-50.57
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)[C@H]1CCCO1	REAL250005081309	0	33	-1.0	-57.89	296.09	-1.09	-58.98
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1c[nH]nn1	REAL250005081310	0	28	-1.0	-57.22	273.44	-4.37	-61.59
CC1(CC(=O)NC2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081311	0	35	-1.0	-50.07	310.93	0.35	-49.72
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1cnco1	REAL250005081312	0	28	-1.0	-52.86	274.39	-4.68	-57.54
C=CC(C)(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081313	0	35	-1.0	-49.78	307.17	-0.05	-49.83
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081314	0	32	-1.0	-54.09	291.75	-0.15	-54.24
CC1(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)CCC1	REAL250005081315	0	35	-1.0	-53.98	304.20	0.24	-53.74
CCC(F)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081316	0	31	-1.0	-51.04	287.75	-0.87	-51.91
O=C(CCCF)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081317	0	31	-1.0	-51.92	288.07	-0.77	-52.69
C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081318	0	32	-1.0	-54.11	291.75	-0.15	-54.26
C=CCCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081319	0	35	-1.0	-50.42	315.78	0.44	-49.98
CCC(C)(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081320	0	37	-1.0	-49.80	312.64	0.05	-49.75
NC(=O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081321	0	26	-1.0	-53.93	255.32	-6.34	-60.27
CC1CC1CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081322	0	35	-1.0	-54.83	312.13	0.64	-54.19
CCC1(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081323	0	35	-1.0	-54.05	312.68	0.39	-53.66
CC(C)(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081324	0	34	-1.0	-49.86	298.41	-0.44	-50.30
CC(C)C(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081325	0	37	-1.0	-49.49	313.55	0.20	-49.29
CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081326	0	35	-1.0	-54.35	313.28	0.53	-53.82
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CC12CC2	REAL250005081327	0	33	-1.0	-54.48	302.78	0.66	-53.82
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)[C@@H]1CC(=O)N1	REAL250005081328	0	30	-1.0	-55.31	284.93	-4.99	-60.30
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)[C@H]1CC(=O)N1	REAL250005081329	0	30	-1.0	-62.40	284.93	-4.98	-67.38
COC1(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081330	0	33	-1.0	-52.29	295.09	-2.02	-54.31
C=CCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081331	0	29	-1.0	-50.39	272.89	-1.13	-51.52
CN(C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081332	0	33	-1.0	-50.72	293.48	-3.35	-54.07
C=CC(O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081333	0	30	-1.0	-50.73	281.33	-3.09	-53.82
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005081334	0	30	-1.0	-55.08	277.32	-3.17	-58.25
CO[C@H](C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081335	0	32	-1.0	-51.96	292.50	-1.62	-53.58
CC=CC(O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081336	0	33	-1.0	-50.63	303.04	-2.24	-52.87
C[C@@H](C(=O)NC1CN(C(=O)c2nsnc2[O-])C1)N(C)C	REAL250005081337	0	36	-1.0	-50.26	307.66	-2.98	-53.24
CCC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081338	0	32	-1.0	-50.60	294.64	-0.30	-50.90
[N-]=[N+]=NCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081339	0	27	-1.0	-51.67	269.09	-5.72	-57.39
O=C(CO)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081340	0	26	-1.0	-54.01	250.45	-4.60	-58.61
NC(=O)C=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081341	0	30	-1.0	-55.54	289.94	-5.03	-60.57
CC(O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081342	0	29	-1.0	-55.40	270.76	-3.82	-59.22
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1(O)CCC1	REAL250005081343	0	33	-1.0	-49.81	294.83	-3.45	-53.26
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C(O)C1CC1	REAL250005081344	0	33	-1.0	-54.25	302.75	-2.28	-56.53
C=CCC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081345	0	35	-1.0	-54.12	310.91	0.19	-53.93
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CC1F	REAL250005081346	0	29	-1.0	-58.36	276.69	-0.83	-59.19
C[C@@H](C(=O)NC1CN(C(=O)c2nsnc2[O-])C1)N(C)C	REAL250005081347	0	36	-1.0	-50.26	307.66	-2.98	-53.24
O=C(CCF)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081348	0	28	-1.0	-50.22	266.57	-1.53	-51.75
CC(C(=O)NC1CN(C(=O)c2nsnc2[O-])C1)=C1CC1	REAL250005081349	0	33	-1.0	-54.65	302.62	0.66	-53.99
CCC1CC1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081350	0	35	-1.0	-54.30	313.26	0.54	-53.76
O=C(CC1(O)CC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081351	0	33	-1.0	-52.90	301.94	-3.66	-56.56
O=C(C=CCF)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081352	0	29	-1.0	-51.65	279.73	-0.94	-52.59
C#CCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081353	0	30	-1.0	-50.93	287.26	-0.39	-51.32
O=C(CN1CCC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081354	0	34	-1.0	-56.30	301.33	-3.75	-60.05
C#C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081355	0	31	-1.0	-57.60	293.36	0.26	-57.34
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1C2CCC21	REAL250005081356	0	33	-1.0	-54.37	293.10	0.51	-53.86
C=C1CCC1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081357	0	33	-1.0	-53.83	300.10	0.20	-53.63
C[C@H]1C(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)[C@H]1C	REAL250005081358	0	35	-1.0	-49.70	300.67	0.25	-49.45
C[C@H](C(=O)NC1CN(C(=O)c2nsnc2[O-])C1)N(C)C	REAL250005081359	0	36	-1.0	-50.44	307.34	-3.00	-53.44
CC=CC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081360	0	33	-1.0	-51.01	308.71	0.37	-50.64
COCC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081361	0	33	-1.0	-51.82	306.90	-2.02	-53.84
CC1(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)COC1	REAL250005081362	0	33	-1.0	-56.77	295.30	-2.51	-59.28
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005081363	0	30	-1.0	-57.35	277.32	-2.03	-59.38
[N-]=[N+]=NCCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081364	0	30	-1.0	-50.05	290.11	-5.06	-55.11
C#CCOCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081365	0	31	-1.0	-54.93	300.34	-0.82	-55.75
CC(C)(O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081366	0	32	-1.0	-50.96	290.46	-4.25	-55.21
CC1=CC1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081367	0	30	-1.0	-54.89	285.50	-0.19	-55.08
CN(C)C(=O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081368	0	32	-1.0	-54.44	292.46	-2.83	-57.27
CCN(C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081369	0	36	-1.0	-50.60	311.45	-2.55	-53.15
C=C1CC(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005081370	0	33	-1.0	-55.26	299.61	0.19	-55.07
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1cnc[nH]1	REAL250005081371	0	29	-1.0	-58.00	277.29	-1.83	-59.83
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1=CCCO1	REAL250005081372	0	31	-1.0	-52.82	287.95	-1.70	-54.52
CCOC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081373	0	33	-1.0	-52.21	306.62	-1.44	-53.65
C[C@@H](O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081374	0	29	-1.0	-51.03	270.79	-3.83	-54.86
O=C(C=CCO)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081375	0	30	-1.0	-53.09	284.65	-4.42	-57.51
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1(CO)CC1	REAL250005081376	0	33	-1.0	-52.72	302.89	-3.75	-56.47
COC(F)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081377	0	29	-1.0	-52.08	278.60	-2.84	-54.92
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C12CC1CC2	REAL250005081378	0	33	-1.0	-50.86	298.86	0.39	-50.47
C=C[C@H](C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081379	0	35	-1.0	-53.99	310.83	0.31	-53.68
O=C(C=CC1CC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081380	0	33	-1.0	-50.74	305.40	0.61	-50.13
CC=C(CC)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081381	0	35	-1.0	-50.29	307.95	0.47	-49.82
C=CC(C)(O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081382	0	33	-1.0	-50.33	300.64	-3.51	-53.84
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005081383	0	30	-1.0	-51.52	280.85	-0.24	-51.76
CON=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081384	0	29	-1.0	-52.47	282.44	-3.10	-55.57
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1(F)CC1	REAL250005081385	0	29	-1.0	-51.52	276.43	-0.76	-52.28
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1=NOCC1	REAL250005081386	0	30	-1.0	-53.64	283.89	-2.72	-56.36
C#CC(C)(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081387	0	33	-1.0	-51.36	304.23	0.00	-51.36
O=C(COC1CC1)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081388	0	33	-1.0	-58.59	304.75	-0.48	-59.07
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1ncc[nH]1	REAL250005081389	0	29	-1.0	-54.54	278.30	-2.55	-57.09
CCCC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081390	0	35	-1.0	-50.43	316.13	0.48	-49.95
CC=C(F)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081391	0	29	-1.0	-51.09	278.52	-1.00	-52.09
O=C(CC1CC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081392	0	32	-1.0	-48.34	293.21	-0.12	-48.46
CC(C)(F)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081393	0	31	-1.0	-46.97	284.12	-1.26	-48.23
CC(F)(F)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081394	0	28	-1.0	-46.77	271.45	-1.70	-48.47
COCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081395	0	29	-1.0	-50.99	275.00	-2.26	-53.25
CCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081396	0	31	-1.0	-48.42	283.82	-0.97	-49.39
O=C(NC1CN(C(=O)c2ccco2)C1)c1nsnc1[O-]	REAL250005081397	0	29	-1.0	-50.22	279.96	-1.49	-51.71
CC(=O)NCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081398	0	32	-1.0	-51.19	300.98	-4.06	-55.25
CC(C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081399	0	34	-1.0	-48.06	300.55	-0.38	-48.44
CC1CC1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081400	0	32	-1.0	-48.20	288.77	-0.25	-48.45
CCOCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081401	0	32	-1.0	-50.93	296.85	-1.30	-52.23
CC(C)=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081402	0	32	-1.0	-48.05	291.79	-0.39	-48.44
O=C(NC1CN(C(=O)C2CCCO2)C1)c1nsnc1[O-]	REAL250005081403	0	33	-1.0	-51.85	298.80	-1.15	-53.00
CSCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081404	0	29	-1.0	-50.06	285.34	-1.23	-51.29
CC(C)CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081405	0	37	-1.0	-48.29	322.89	0.33	-47.96
O=C(NC1CN(C(=O)c2ccc[nH]2)C1)c1nsnc1[O-]	REAL250005081406	0	30	-1.0	-50.15	280.51	-1.60	-51.75
O=C(NC1CN(C(=O)c2ccoc2)C1)c1nsnc1[O-]	REAL250005081407	0	29	-1.0	-51.36	276.54	-1.78	-53.14
CCCCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081408	0	37	-1.0	-48.35	326.82	0.60	-47.75
CC(C)(C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081409	0	37	-1.0	-47.05	315.47	0.21	-46.84
CCCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081410	0	34	-1.0	-48.42	305.32	-0.19	-48.61
CC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081411	0	31	-1.0	-48.14	282.90	-1.18	-49.32
CCC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081412	0	34	-1.0	-48.37	301.73	-0.52	-48.89
CCC(CC)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081413	0	37	-1.0	-48.09	320.45	0.17	-47.92
O=C(NC1CN(C(=O)c2cc[nH]n2)C1)c1nsnc1[O-]	REAL250005081414	0	29	-1.0	-52.88	278.36	-2.87	-55.75
O=C(NC1CN(C(=O)c2cn[nH]c2)C1)c1nsnc1[O-]	REAL250005081415	0	29	-1.0	-50.96	274.96	-3.26	-54.22
O=C(NC1CN(C(=O)c2ccon2)C1)c1nsnc1[O-]	REAL250005081416	0	28	-1.0	-51.97	274.49	-2.16	-54.13
CCC=C(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081417	0	35	-1.0	-48.99	305.96	-0.16	-49.15
COC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081418	0	32	-1.0	-54.70	293.54	-1.75	-56.45
O=C(NC1CN(C(=O)C2CCOC2)C1)c1nsnc1[O-]	REAL250005081419	0	33	-1.0	-49.52	293.64	-2.48	-52.00
C=CCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081420	0	32	-1.0	-48.22	296.64	-0.41	-48.63
C=CCOCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081421	0	33	-1.0	-51.23	309.76	-0.73	-51.96
O=C(NC1CN(C(=O)c2cocn2)C1)c1nsnc1[O-]	REAL250005081422	0	28	-1.0	-51.53	274.46	-4.44	-55.97
CC(C#N)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081423	0	29	-1.0	-57.68	282.16	-1.57	-59.25
CCCC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081424	0	37	-1.0	-48.37	323.23	0.24	-48.13
O=C(CCC1CC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081425	0	35	-1.0	-48.07	315.39	0.67	-47.40
O=C(NC1CN(C(=O)C2CC=CC2)C1)c1nsnc1[O-]	REAL250005081426	0	33	-1.0	-47.98	297.68	0.09	-47.89
O=C(CC1CCC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081427	0	35	-1.0	-48.38	310.15	0.33	-48.05
CC(C(=O)N1CC(NC(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081428	0	35	-1.0	-48.22	314.45	0.29	-47.93
CC=C(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081429	0	32	-1.0	-49.22	285.75	-0.90	-50.12
CC1CC(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005081430	0	35	-1.0	-48.60	309.45	0.16	-48.44
O=C(C=C1CCC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081431	0	33	-1.0	-49.16	301.19	0.32	-48.84
O=C(NC1CN(C(=O)C2=CCCC2)C1)c1nsnc1[O-]	REAL250005081432	0	33	-1.0	-48.81	293.93	-0.16	-48.97
CC1(C)CC1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081433	0	35	-1.0	-47.76	309.40	0.32	-47.44
CC1(C)C[C@@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081434	0	35	-1.0	-47.77	309.40	0.32	-47.45
O=C(NC1CN(C(=O)[C@@H]2CCCO2)C1)c1nsnc1[O-]	REAL250005081435	0	33	-1.0	-51.26	296.77	-1.21	-52.47
CCC(C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081436	0	37	-1.0	-47.99	318.78	0.29	-47.70
C#CCCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081437	0	33	-1.0	-50.74	311.10	0.34	-50.40
CCC(C)=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081438	0	35	-1.0	-48.24	313.17	0.30	-47.94
CC(C)C#CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081439	0	33	-1.0	-49.96	311.69	0.28	-49.68
O=C(C#CC1CC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081440	0	31	-1.0	-50.17	301.32	0.52	-49.65
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081441	0	28	-1.0	-48.65	262.32	-1.73	-50.38
COCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081442	0	32	-1.0	-48.41	296.00	-2.66	-51.07
O=C(NC1CN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081443	0	29	-1.0	-48.57	272.87	-0.97	-49.54
O=C(NC1CN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005081444	0	32	-1.0	-47.98	289.05	-0.38	-48.36
O=C(NC1CN(C(=O)C2CCCC2)C1)c1nsnc1[O-]	REAL250005081445	0	35	-1.0	-48.16	304.69	0.10	-48.06
C=CCCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081446	0	35	-1.0	-48.70	318.13	0.38	-48.32
CCC(C)(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081447	0	37	-1.0	-48.15	307.86	-0.41	-48.56
NC(=O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081448	0	26	-1.0	-49.59	255.47	-6.43	-56.02
CC1CC1CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081449	0	35	-1.0	-48.66	314.65	0.48	-48.18
CCC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081450	0	35	-1.0	-48.37	313.82	0.14	-48.23
CC(C)(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081451	0	34	-1.0	-48.10	293.34	-0.90	-49.00
C=C(C)CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081452	0	35	-1.0	-48.01	318.25	0.25	-47.76
CC(C)C(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081453	0	37	-1.0	-47.77	313.62	-0.10	-47.87
CC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081454	0	35	-1.0	-48.33	315.58	0.54	-47.79
O=C(NC1CN(C(=O)C2CC23CC3)C1)c1nsnc1[O-]	REAL250005081455	0	33	-1.0	-48.83	305.24	0.57	-48.26
O=C(NC1CN(C(=O)[C@H]2CCCO2)C1)c1nsnc1[O-]	REAL250005081456	0	33	-1.0	-51.97	297.90	-1.18	-53.15
CC1(CC(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081457	0	35	-1.0	-47.91	312.58	0.30	-47.61
CC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081458	0	32	-1.0	-48.55	286.92	-0.79	-49.34
O=C(NC1CN(C(=O)c2cc[nH]c2)C1)c1nsnc1[O-]	REAL250005081459	0	30	-1.0	-51.85	280.38	-1.88	-53.73
O=C(NC1CN(C(=O)c2cnco2)C1)c1nsnc1[O-]	REAL250005081460	0	28	-1.0	-50.30	274.81	-4.78	-55.08
C=CC(C)(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081461	0	35	-1.0	-47.77	303.52	-0.49	-48.26
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081462	0	32	-1.0	-48.55	294.20	-0.31	-48.86
CC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CCC1	REAL250005081463	0	35	-1.0	-48.44	303.18	-0.24	-48.68
CCC(F)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081464	0	31	-1.0	-49.37	289.43	-0.91	-50.28
O=C(CCCF)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081465	0	31	-1.0	-50.44	290.41	-0.83	-51.27
C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081466	0	32	-1.0	-48.41	294.14	-0.23	-48.64
O=C(NC1CN(C(=O)c2c[nH]nn2)C1)c1nsnc1[O-]	REAL250005081467	0	28	-1.0	-52.83	273.64	-4.42	-57.25
O=C(CO)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081468	0	26	-1.0	-52.84	252.79	-4.62	-57.46
NC(=O)C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081469	0	30	-1.0	-52.27	292.06	-5.05	-57.32
NC(=O)CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081470	0	32	-1.0	-51.93	300.00	-4.91	-56.84
O=C(NC1CN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005081471	0	30	-1.0	-52.16	281.22	-2.16	-54.32
O=C(NC1CN(C(=O)C2=CCCO2)C1)c1nsnc1[O-]	REAL250005081472	0	31	-1.0	-49.25	288.05	-1.77	-51.02
O=C(NC1CN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005081473	0	30	-1.0	-51.60	279.52	-3.18	-54.78
O=C(C=CCO)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081474	0	30	-1.0	-51.49	286.87	-4.51	-56.00
CC=CC(O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081475	0	33	-1.0	-48.23	304.42	-2.60	-50.83
C[C@@H](C(=O)N1CC(NC(=O)c2nsnc2[O-])C1)N(C)C	REAL250005081476	0	36	-1.0	-48.72	309.52	-3.01	-51.73
CCC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081477	0	32	-1.0	-48.46	296.74	-0.32	-48.78
[N-]=[N+]=NCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081478	0	30	-1.0	-47.46	292.46	-5.12	-52.58
C#CCOCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081479	0	31	-1.0	-53.47	302.64	-0.77	-54.24
C#CCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081480	0	30	-1.0	-48.62	289.60	-0.45	-49.07
CC=CC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081481	0	33	-1.0	-48.82	310.80	0.36	-48.46
COCC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081482	0	33	-1.0	-50.24	309.12	-2.11	-52.35
C#CCC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081483	0	33	-1.0	-48.33	309.02	0.02	-48.31
C=CC(O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081484	0	30	-1.0	-48.46	282.71	-3.43	-51.89
O=C(NC1CN(C(=O)C23CC2CC3)C1)c1nsnc1[O-]	REAL250005081485	0	33	-1.0	-48.73	299.15	0.16	-48.57
C=C[C@H](C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081486	0	35	-1.0	-47.59	313.36	0.15	-47.44
O=C(C=CC1CC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081487	0	33	-1.0	-48.75	307.76	0.42	-48.33
CCC(C#N)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081488	0	32	-1.0	-48.49	301.04	-0.92	-49.41
O=C(NC1CN(C(=O)C2C3CCC32)C1)c1nsnc1[O-]	REAL250005081489	0	33	-1.0	-48.38	295.50	0.42	-47.96
C=C1CCC1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081490	0	33	-1.0	-48.37	301.32	-0.02	-48.39
C[C@H]1C(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)[C@H]1C	REAL250005081491	0	35	-1.0	-47.88	305.53	0.26	-47.62
CCN(C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081492	0	36	-1.0	-48.83	313.80	-2.63	-51.46
CC(O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081493	0	29	-1.0	-48.58	268.84	-4.02	-52.60
CC(=O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081494	0	27	-1.0	-48.41	262.94	-2.68	-51.09
N#CCCCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081495	0	32	-1.0	-55.48	304.68	-0.44	-55.92
N#CC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081496	0	30	-1.0	-48.68	289.99	-1.03	-49.71
C=C1CC(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005081497	0	33	-1.0	-47.90	302.61	0.13	-47.77
O=C(NC1CN(C(=O)C2(F)CC2)C1)c1nsnc1[O-]	REAL250005081498	0	29	-1.0	-48.46	276.25	-0.98	-49.44
CC(CC#N)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081499	0	32	-1.0	-49.97	302.59	-0.80	-50.77
CCC1CC1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081500	0	35	-1.0	-48.22	315.58	0.54	-47.68
C=CC(C)(O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081501	0	33	-1.0	-47.69	300.00	-3.50	-51.19
CCCC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081502	0	35	-1.0	-48.37	318.24	0.46	-47.91
CC=C(F)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081503	0	29	-1.0	-47.80	278.52	-1.15	-48.95
C[C@H](C(=O)N1CC(NC(=O)c2nsnc2[O-])C1)N(C)C	REAL250005081504	0	36	-1.0	-48.78	314.50	-2.88	-51.66
CCOC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081505	0	33	-1.0	-49.42	308.58	-1.47	-50.89
CC(=O)C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081506	0	31	-1.0	-50.48	298.93	-1.19	-51.67
O=C(COC1CC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081507	0	33	-1.0	-51.58	307.22	-0.52	-52.10
O=C(NC1CN(C(=O)c2ncc[nH]2)C1)c1nsnc1[O-]	REAL250005081508	0	29	-1.0	-52.05	278.55	-2.48	-54.53
CC(CO)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081509	0	32	-1.0	-48.88	293.96	-4.49	-53.37
O=C(NC1CN(C(=O)c2cnoc2)C1)c1nsnc1[O-]	REAL250005081510	0	28	-1.0	-49.71	271.14	-2.20	-51.91
O=C(NC1CN(C(=O)C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081511	0	31	-1.0	-48.19	293.41	-1.03	-49.22
O=C(CC1(O)CC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081512	0	33	-1.0	-51.44	305.25	-3.06	-54.50
N#C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081513	0	30	-1.0	-57.03	289.76	-0.60	-57.63
O=C(NC1CN(C(=O)C2=COCC2)C1)c1nsnc1[O-]	REAL250005081514	0	31	-1.0	-48.94	283.89	-2.14	-51.08
O=C(NC1CN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005081515	0	30	-1.0	-51.38	277.21	-4.06	-55.44
O=C(NC1CN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005081516	0	30	-1.0	-49.57	280.63	-0.46	-50.03
CC(CF)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081517	0	31	-1.0	-47.40	289.34	-1.05	-48.45
CC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081518	0	29	-1.0	-48.69	275.66	-1.08	-49.77
O=C(C=CCF)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081519	0	29	-1.0	-50.11	281.84	-0.96	-51.07
O=C(NC1CN(C(=O)C2(CO)CC2)C1)c1nsnc1[O-]	REAL250005081520	0	33	-1.0	-51.50	305.03	-3.80	-55.30
O=C(NC1CN(C(=O)c2ccno2)C1)c1nsnc1[O-]	REAL250005081521	0	28	-1.0	-49.49	274.56	-2.11	-51.60
[N-]=[N+]=NCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081522	0	27	-1.0	-49.51	271.39	-5.72	-55.23
C[C@H](O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081523	0	29	-1.0	-49.24	270.63	-3.93	-53.17
CON=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081524	0	29	-1.0	-50.47	284.67	-3.19	-53.66
C#CC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081525	0	31	-1.0	-48.60	296.29	-0.15	-48.75
C=CC=CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081526	0	33	-1.0	-49.03	310.49	0.23	-48.80
C#C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081527	0	31	-1.0	-50.70	295.73	0.20	-50.50
CC=C(CC)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081528	0	35	-1.0	-48.66	302.40	-0.26	-48.92
COC(F)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081529	0	29	-1.0	-50.83	280.07	-2.87	-53.70
N#C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081530	0	30	-1.0	-49.56	293.84	-0.54	-50.10
O=C(NC1CN(C(=O)[C@H]2C[C@@H](O)C2)C1)c1nsnc1[O-]	REAL250005081531	0	33	-1.0	-51.55	300.47	-3.86	-55.41
C=CCC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081532	0	35	-1.0	-48.09	314.97	0.03	-48.06
C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081533	0	32	-1.0	-48.55	294.20	-0.31	-48.86
CC(C)(O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081534	0	32	-1.0	-47.57	289.79	-4.23	-51.80
O=C(NC1CN(C(=O)C2=NOCC2)C1)c1nsnc1[O-]	REAL250005081535	0	30	-1.0	-49.59	284.20	-2.80	-52.39
CC(C#N)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081536	0	32	-1.0	-49.19	299.87	-0.70	-49.89
O=C(NC1CN(C(=O)[C@H](O)CF)C1)c1nsnc1[O-]	REAL250005081537	0	29	-1.0	-48.55	275.01	-3.81	-52.36
O=C(NC1CN(C(=O)C2(O)CCC2)C1)c1nsnc1[O-]	REAL250005081538	0	33	-1.0	-48.31	298.16	-3.71	-52.02
O=C(NC1CN(C(=O)C(O)C2CC2)C1)c1nsnc1[O-]	REAL250005081539	0	33	-1.0	-47.74	299.79	-2.44	-50.18
C=C(C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081540	0	32	-1.0	-48.53	296.85	-0.53	-49.06
CC(C)(C#N)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081541	0	32	-1.0	-52.30	296.43	-1.32	-53.62
CC(C)=C(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081542	0	35	-1.0	-48.60	313.17	0.07	-48.53
CNC(=O)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081543	0	32	-1.0	-58.74	298.41	-2.64	-61.38
C=CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081544	0	29	-1.0	-48.62	275.24	-1.20	-49.82
CN(C)CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081545	0	33	-1.0	-48.66	295.78	-3.36	-52.02
N#CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081546	0	26	-1.0	-55.06	261.79	-2.05	-57.11
O=C(NC1CN(C(=O)C2CC2F)C1)c1nsnc1[O-]	REAL250005081547	0	29	-1.0	-47.67	279.64	-0.87	-48.54
C[C@@H](C(=O)N1CC(NC(=O)c2nsnc2[O-])C1)N(C)C	REAL250005081548	0	36	-1.0	-48.72	309.52	-3.01	-51.73
O=C(CCF)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081549	0	28	-1.0	-47.73	268.91	-1.59	-49.32
O=C(NC1CN(C(=O)C2C=CCC2)C1)c1nsnc1[O-]	REAL250005081550	0	33	-1.0	-48.18	293.97	-0.12	-48.30
C#CC(C)(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081551	0	33	-1.0	-48.36	302.62	-0.41	-48.77
CO[C@H](C)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081552	0	32	-1.0	-50.57	290.19	-1.74	-52.31
CC(=O)CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081553	0	33	-1.0	-50.30	306.91	-1.07	-51.37
C[C@@H](O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081554	0	29	-1.0	-48.38	268.48	-3.96	-52.34
O=C(CN1CCC1)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081555	0	34	-1.0	-49.71	303.69	-3.74	-53.45
C=C1CC1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081556	0	30	-1.0	-48.63	286.42	-0.32	-48.95
CC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)COC1	REAL250005081557	0	33	-1.0	-51.37	297.05	-2.88	-54.25
O=C(NC1CN(C(=O)C2CC(=O)N2)C1)c1nsnc1[O-]	REAL250005081558	0	30	-1.0	-54.11	286.74	-5.33	-59.44
O=C(NC1CN(C(=O)[C@@H]2CC(=O)N2)C1)c1nsnc1[O-]	REAL250005081559	0	30	-1.0	-54.24	286.69	-5.33	-59.57
O=C(NC1CN(C(=O)c2cnc[nH]2)C1)c1nsnc1[O-]	REAL250005081560	0	29	-1.0	-50.88	275.34	-1.85	-52.73
O=C(NC1CN(C(=O)C2CC(=O)C2)C1)c1nsnc1[O-]	REAL250005081561	0	31	-1.0	-53.96	291.37	-1.39	-55.35
CC(C(=O)N1CC(NC(=O)c2nsnc2[O-])C1)=C1CC1	REAL250005081562	0	33	-1.0	-49.50	299.97	0.11	-49.39
CC1=CC1C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081563	0	30	-1.0	-49.22	287.85	-0.18	-49.40
CN(C)C(=O)C(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081564	0	32	-1.0	-49.64	292.75	-2.93	-52.57
O=C(NC1CN(C(=O)[C@H]2CC(=O)N2)C1)c1nsnc1[O-]	REAL250005081565	0	30	-1.0	-53.87	286.78	-5.33	-59.20
COC1(C(=O)N2CC(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081566	0	33	-1.0	-47.75	305.59	-2.14	-49.89
C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C1	REAL250005081567	0	26	-1.0	-48.72	253.93	-1.95	-50.67
CC(CO)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081568	0	32	-1.0	-50.80	290.11	-4.29	-55.09
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1cnoc1	REAL250005081569	0	28	-1.0	-54.61	273.53	-1.86	-56.47
C#CC1(C(=O)NC2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081570	0	31	-1.0	-52.81	296.06	0.25	-52.56
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1=COCC1	REAL250005081571	0	31	-1.0	-51.09	286.67	-1.83	-52.92
C[C@H](O)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081572	0	29	-1.0	-58.66	270.99	-3.76	-62.42
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1C=CCC1	REAL250005081573	0	33	-1.0	-53.89	295.52	0.12	-53.77
C=C1CC1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081574	0	30	-1.0	-50.77	284.07	-0.33	-51.10
CC(CF)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081575	0	31	-1.0	-49.48	285.50	-0.87	-50.35
C=C(C)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081576	0	32	-1.0	-50.30	294.50	-0.47	-50.77
CC(C)=C(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081577	0	35	-1.0	-50.47	303.72	0.31	-50.16
CC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081578	0	29	-1.0	-50.86	273.55	-1.06	-51.92
O=C(c1nsnc1[O-])N1CC(NC(=O)[C@H]2C[C@@H](O)C2)C1	REAL250005081579	0	33	-1.0	-58.06	298.01	-3.72	-61.78
C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081580	0	32	-1.0	-54.09	291.75	-0.15	-54.24
CNC(=O)CC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081581	0	32	-1.0	-59.04	296.06	-2.64	-61.68
C=CC=CCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081582	0	33	-1.0	-50.70	308.14	0.30	-50.40
NC(=O)CCC(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081583	0	32	-1.0	-55.16	297.66	-4.84	-60.00
C#CCC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081584	0	33	-1.0	-50.29	305.13	0.18	-50.11
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)[C@H](O)CF	REAL250005081585	0	29	-1.0	-56.23	277.07	-3.66	-59.89
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005081586	0	30	-1.0	-53.44	278.68	-3.90	-57.34
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)C1CC(=O)N1	REAL250005081587	0	30	-1.0	-61.84	284.69	-5.12	-66.96
O=C(NC1CN(C(=O)c2nsnc2[O-])C1)c1ccno1	REAL250005081588	0	28	-1.0	-52.89	274.09	-1.96	-54.85
CCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081589	0	31	-1.0	-54.72	281.14	-0.95	-55.67
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081590	0	28	-1.0	-54.97	260.54	-1.75	-56.72
O=C(NCC1CN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081591	0	32	-1.0	-54.19	291.82	-0.28	-54.47
O=C(NCC1CN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005081592	0	35	-1.0	-54.27	307.87	0.32	-53.95
O=C(CC1CC1)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081593	0	35	-1.0	-54.83	312.07	0.59	-54.24
COCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081594	0	32	-1.0	-57.67	293.86	-1.58	-59.25
CCCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081595	0	34	-1.0	-54.52	302.63	-0.18	-54.70
CC(C)CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081596	0	37	-1.0	-54.11	319.36	0.40	-53.71
CC1CC1C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081597	0	35	-1.0	-54.35	313.03	0.49	-53.86
CC(C)=CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081598	0	35	-1.0	-53.88	310.61	0.37	-53.51
CCCCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081599	0	37	-1.0	-54.57	324.13	0.60	-53.97
CC(C)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081600	0	34	-1.0	-54.22	300.68	-0.28	-54.50
CCC(C)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081601	0	37	-1.0	-54.14	318.81	0.37	-53.77
C=CCCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081602	0	35	-1.0	-54.53	315.45	0.38	-54.15
CC=C(C)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081603	0	35	-1.0	-54.64	309.45	0.33	-54.31
CC1(C(=O)NCC2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081604	0	35	-1.0	-54.14	309.48	0.42	-53.72
C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081605	0	35	-1.0	-54.33	313.10	0.49	-53.84
C[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081606	0	35	-1.0	-54.36	313.11	0.49	-53.87
NC(=O)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081607	0	29	-1.0	-54.28	276.48	-5.62	-59.90
CC(C)(C)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081608	0	37	-1.0	-54.04	319.57	0.29	-53.75
C=CCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081609	0	32	-1.0	-54.89	294.05	-0.41	-55.30
CN(C)CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081610	0	36	-1.0	-55.08	314.64	-2.62	-57.70
C=CC(O)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081611	0	33	-1.0	-54.93	302.49	-2.35	-57.28
O=C(NCC1CN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005081612	0	33	-1.0	-54.90	298.62	-2.55	-57.45
CCC=CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081613	0	35	-1.0	-54.50	315.80	0.42	-54.08
[N-]=[N+]=NCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081614	0	30	-1.0	-57.26	290.25	-5.00	-62.26
O=C(CO)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081615	0	29	-1.0	-59.25	271.61	-3.87	-63.12
CC(O)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081616	0	32	-1.0	-55.45	291.94	-3.08	-58.53
O=C(CCF)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081617	0	31	-1.0	-54.20	287.73	-0.81	-55.01
C#CCCC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081618	0	33	-1.0	-54.86	308.42	0.34	-54.52
O=C(NCC1CN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005081619	0	33	-1.0	-58.73	299.68	-1.32	-60.05
CC1=CC1C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081620	0	33	-1.0	-55.22	306.69	0.52	-54.70
C[C@@H](O)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081621	0	32	-1.0	-55.37	291.94	-3.08	-58.45
O=C(C=CCO)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081622	0	33	-1.0	-57.84	305.81	-3.70	-61.54
O=C(NCC1CN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005081623	0	33	-1.0	-54.87	302.26	0.29	-54.58
CON=CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081624	0	32	-1.0	-57.44	303.60	-2.37	-59.81
O=C(CC1CC1)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081625	0	35	-1.0	-50.86	314.51	0.51	-50.35
COCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081626	0	32	-1.0	-53.69	296.35	-1.62	-55.31
CCCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081627	0	34	-1.0	-50.65	305.13	-0.26	-50.91
CC(C)CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081628	0	37	-1.0	-50.06	321.84	0.23	-49.83
CC1CC1C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081629	0	35	-1.0	-49.99	310.05	0.36	-49.63
CC(C)=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081630	0	35	-1.0	-50.22	313.19	0.17	-50.05
CCCCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081631	0	37	-1.0	-50.57	326.61	0.43	-50.14
CC(C)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081632	0	34	-1.0	-50.40	300.89	-0.68	-51.08
CCC(C)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081633	0	37	-1.0	-51.53	322.38	0.06	-51.47
C=CCCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081634	0	35	-1.0	-50.31	317.92	0.20	-50.11
CC(C#N)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081635	0	32	-1.0	-56.21	300.35	-1.06	-57.27
CC=C(C)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081636	0	35	-1.0	-52.34	307.51	-0.27	-52.61
CCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081637	0	31	-1.0	-50.83	283.63	-1.02	-51.85
CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081638	0	28	-1.0	-51.23	263.32	-1.83	-53.06
O=C(NCC1CN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081639	0	32	-1.0	-50.76	294.11	-0.36	-51.12
O=C(NCC1CN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005081640	0	35	-1.0	-50.62	310.30	0.25	-50.37
NC(=O)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081641	0	29	-1.0	-50.37	276.86	-5.88	-56.25
CC(C)(C)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081642	0	37	-1.0	-50.55	315.07	-0.27	-50.82
CC1(C(=O)N2CC(CNC(=O)c3nsnc3[O-])C2)CC1	REAL250005081643	0	35	-1.0	-50.63	308.18	-0.15	-50.78
C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081644	0	35	-1.0	-50.75	315.47	0.41	-50.34
C[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081645	0	35	-1.0	-50.62	315.48	0.31	-50.31
O=C(CO)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081646	0	29	-1.0	-55.26	274.08	-4.01	-59.27
O=C(NCC1CN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005081647	0	33	-1.0	-54.65	302.48	-1.53	-56.18
O=C(NCC1CN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005081648	0	33	-1.0	-50.60	300.79	-2.57	-53.17
O=C(C=CCO)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081649	0	33	-1.0	-53.86	308.15	-3.90	-57.76
CCC=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081650	0	35	-1.0	-50.79	318.14	0.23	-50.56
C#CCCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081651	0	33	-1.0	-50.62	310.89	0.15	-50.47
C=CC(O)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081652	0	33	-1.0	-50.97	307.07	-2.72	-53.69
CC(O)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081653	0	32	-1.0	-51.31	292.30	-3.38	-54.69
CC(=O)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081654	0	30	-1.0	-49.40	283.78	-2.07	-51.47
O=C(NCC1CN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005081655	0	33	-1.0	-51.09	298.46	-3.44	-54.53
O=C(NCC1CN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005081656	0	33	-1.0	-51.91	301.98	0.19	-51.72
CC=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081657	0	32	-1.0	-51.01	297.06	-0.53	-51.54
[N-]=[N+]=NCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081658	0	30	-1.0	-52.68	292.75	-5.08	-57.76
C[C@H](O)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081659	0	32	-1.0	-54.94	291.28	-3.33	-58.27
CON=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081660	0	32	-1.0	-52.81	305.96	-2.56	-55.37
C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081661	0	35	-1.0	-50.75	315.47	0.41	-50.34
C=C(C)CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081662	0	35	-1.0	-50.58	318.14	0.08	-50.50
C=CCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081663	0	32	-1.0	-50.78	296.53	-0.59	-51.37
CN(C)CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081664	0	36	-1.0	-51.11	317.14	-2.72	-53.83
N#CCC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081665	0	29	-1.0	-57.97	283.08	-1.44	-59.41
O=C(CCF)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081666	0	31	-1.0	-49.71	290.21	-0.98	-50.69
C[C@@H](O)C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081667	0	32	-1.0	-51.29	292.19	-3.37	-54.66
C=C1CC1C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081668	0	33	-1.0	-50.89	307.70	0.22	-50.67
CC1=CC1C(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081669	0	33	-1.0	-51.85	309.17	0.46	-51.39
C=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])C1	REAL250005081670	0	29	-1.0	-51.22	275.33	-1.41	-52.63
C[C@H](O)C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081671	0	32	-1.0	-55.12	292.04	-3.19	-58.31
C=C1CC1C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081672	0	33	-1.0	-54.52	305.22	0.39	-54.13
C=C(C)CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081673	0	35	-1.0	-54.57	315.69	0.26	-54.31
CC=CC(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081674	0	32	-1.0	-54.66	294.71	-0.34	-55.00
C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005081675	0	35	-1.0	-54.33	313.10	0.49	-53.84
O=C(NCC1CN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005081676	0	33	-1.0	-54.07	300.13	-3.35	-57.42
CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081677	0	32	-1.0	-51.23	279.48	1.19	-50.04
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081678	0	29	-1.0	-51.69	258.04	0.37	-51.32
O=C(c1nsnc1[O-])N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1	REAL250005081679	0	33	-1.0	-51.39	289.66	1.95	-49.44
COCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081680	0	33	-1.0	-53.73	292.00	0.64	-53.09
CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081681	0	35	-1.0	-51.09	300.78	1.99	-49.10
CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081682	0	35	-1.0	-50.74	299.53	1.71	-49.03
NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081683	0	30	-1.0	-52.64	271.83	-3.49	-56.13
C=CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081684	0	33	-1.0	-51.19	292.45	1.73	-49.46
O=C(CO)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081685	0	30	-1.0	-55.20	269.81	-1.66	-56.86
CC(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081686	0	33	-1.0	-57.04	284.54	-1.21	-58.25
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081687	0	33	-1.0	-54.43	285.71	-1.14	-55.57
COCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081688	0	33	-1.0	-53.73	292.00	0.64	-53.09
CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081689	0	35	-1.0	-51.09	300.78	1.99	-49.10
CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081690	0	35	-1.0	-50.74	299.53	1.71	-49.03
CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081691	0	32	-1.0	-51.23	279.48	1.19	-50.04
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081692	0	29	-1.0	-51.69	258.04	0.37	-51.32
O=C(c1nsnc1[O-])N1C[C@@H]2C[C@H]1CN2C(=O)C1CC1	REAL250005081693	0	33	-1.0	-51.39	289.66	1.95	-49.44
NC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081694	0	30	-1.0	-52.64	271.83	-3.49	-56.13
O=C(CO)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081695	0	30	-1.0	-55.20	269.81	-1.66	-56.86
CC(O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081696	0	33	-1.0	-57.04	284.54	-1.21	-58.25
CC(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081697	0	31	-1.0	-51.27	279.09	0.25	-51.02
CC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081698	0	33	-1.0	-51.60	292.18	1.80	-49.80
C[C@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081699	0	33	-1.0	-50.66	286.08	-1.14	-51.80
C=CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081700	0	33	-1.0	-51.19	292.45	1.73	-49.46
N#CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081701	0	30	-1.0	-57.62	278.81	0.90	-56.72
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081702	0	33	-1.0	-54.43	285.71	-1.14	-55.57
C=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081703	0	30	-1.0	-51.74	270.44	0.93	-50.81
C[C@H](O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081704	0	33	-1.0	-50.66	286.08	-1.14	-51.80
CC=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nsnc1[O-]	REAL250005081705	0	33	-1.0	-51.60	292.18	1.80	-49.80
CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081706	0	31	-1.0	-58.43	274.95	-0.72	-59.15
CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081707	0	28	-1.0	-58.71	254.42	-1.55	-60.26
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081708	0	32	-1.0	-55.78	284.69	0.12	-55.66
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005081709	0	35	-1.0	-58.46	301.72	0.53	-57.93
O=C(CC1CC1)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081710	0	35	-1.0	-56.54	305.19	0.88	-55.66
COCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081711	0	32	-1.0	-59.30	286.97	-1.29	-60.59
CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081712	0	34	-1.0	-58.53	296.57	0.01	-58.52
CC(C)CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081713	0	37	-1.0	-57.63	313.10	0.63	-57.00
CC1CC1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081714	0	35	-1.0	-58.31	306.97	0.69	-57.62
CC(C)=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081715	0	35	-1.0	-55.38	303.71	0.66	-54.72
CCCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081716	0	37	-1.0	-58.57	318.02	0.81	-57.76
CC(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081717	0	34	-1.0	-56.11	293.80	0.01	-56.10
CCC(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081718	0	37	-1.0	-58.25	312.74	0.56	-57.69
C=CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081719	0	35	-1.0	-57.69	309.19	0.61	-57.08
CC=C(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081720	0	35	-1.0	-56.46	302.57	0.63	-55.83
CC1(C(=O)N[C@H]2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081721	0	35	-1.0	-55.53	302.45	0.72	-54.81
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081722	0	35	-1.0	-58.05	306.85	0.72	-57.33
C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081723	0	35	-1.0	-57.70	306.76	0.72	-56.98
NC(=O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081724	0	29	-1.0	-53.87	269.55	-5.31	-59.18
CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081725	0	37	-1.0	-57.59	313.31	0.51	-57.08
C=CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081726	0	32	-1.0	-58.40	287.86	-0.18	-58.58
CN(C)CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081727	0	36	-1.0	-58.94	308.57	-2.42	-61.36
C=CC(O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081728	0	33	-1.0	-56.70	295.59	-2.05	-58.75
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005081729	0	33	-1.0	-56.54	291.59	-2.15	-58.69
CCC=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081730	0	35	-1.0	-58.33	309.67	0.63	-57.70
[N-]=[N+]=NCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081731	0	30	-1.0	-61.44	284.13	-4.79	-66.23
O=C(CO)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081732	0	29	-1.0	-60.96	264.70	-3.58	-64.54
CC(O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081733	0	32	-1.0	-55.91	284.96	-2.79	-58.70
O=C(CCF)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081734	0	31	-1.0	-56.77	281.47	-0.58	-57.35
C#CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081735	0	33	-1.0	-57.80	302.16	0.56	-57.24
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005081736	0	33	-1.0	-63.60	293.51	-1.12	-64.72
CC1=CC1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081737	0	33	-1.0	-58.64	300.47	0.76	-57.88
C[C@@H](O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081738	0	32	-1.0	-59.08	285.73	-2.86	-61.94
O=C(C=CCO)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081739	0	33	-1.0	-61.28	299.60	-3.46	-64.74
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005081740	0	33	-1.0	-56.36	294.63	0.63	-55.73
CON=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081741	0	32	-1.0	-58.68	296.73	-2.08	-60.76
O=C(CC1CC1)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081742	0	35	-1.0	-49.43	308.15	0.60	-48.83
COCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081743	0	32	-1.0	-59.85	290.97	-1.52	-61.37
CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081744	0	34	-1.0	-49.23	298.69	-0.16	-49.39
CC(C)CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081745	0	37	-1.0	-49.28	316.61	0.43	-48.85
CC1CC1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081746	0	35	-1.0	-49.39	308.93	0.48	-48.91
CC(C)=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081747	0	35	-1.0	-55.80	306.97	0.36	-55.44
CCCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081748	0	37	-1.0	-49.97	321.31	0.64	-49.33
CC(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081749	0	34	-1.0	-49.37	297.38	-0.43	-49.80
CCC(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081750	0	37	-1.0	-48.17	314.46	0.21	-47.96
C=CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081751	0	35	-1.0	-49.93	312.58	0.42	-49.51
CC(C#N)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081752	0	32	-1.0	-54.31	296.89	-0.76	-55.07
CC=C(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081753	0	35	-1.0	-56.20	311.24	0.22	-55.98
CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081754	0	31	-1.0	-49.79	277.06	-0.93	-50.72
CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081755	0	28	-1.0	-56.79	256.64	-1.77	-58.56
O=C(N[C@H]1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081756	0	32	-1.0	-49.48	286.72	-0.22	-49.70
O=C(N[C@H]1CCN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005081757	0	35	-1.0	-50.18	305.00	0.35	-49.83
NC(=O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081758	0	29	-1.0	-51.08	270.55	-5.63	-56.71
CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081759	0	37	-1.0	-48.86	306.03	-0.28	-49.14
CC1(C(=O)N2CC[C@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081760	0	35	-1.0	-48.40	302.07	0.09	-48.31
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081761	0	35	-1.0	-49.41	308.05	0.46	-48.95
C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081762	0	35	-1.0	-49.08	309.06	0.47	-48.61
O=C(CO)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081763	0	29	-1.0	-61.78	268.71	-3.80	-65.58
O=C(N[C@H]1CCN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005081764	0	33	-1.0	-53.55	294.75	-1.50	-55.05
O=C(N[C@H]1CCN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005081765	0	33	-1.0	-50.28	295.48	-2.43	-52.71
O=C(C=CCO)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081766	0	33	-1.0	-59.99	302.18	-3.71	-63.70
CCC=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081767	0	35	-1.0	-56.48	312.16	0.41	-56.07
C#CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081768	0	33	-1.0	-50.10	305.55	0.37	-49.73
C=CC(O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081769	0	33	-1.0	-48.53	294.35	-2.51	-51.04
CC(O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081770	0	32	-1.0	-49.52	284.08	-3.25	-52.77
CC(=O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081771	0	30	-1.0	-51.07	277.47	-1.82	-52.89
O=C(N[C@H]1CCN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005081772	0	33	-1.0	-48.90	299.32	-3.58	-52.48
O=C(N[C@H]1CCN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005081773	0	33	-1.0	-50.09	293.85	0.21	-49.88
CC=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081774	0	32	-1.0	-56.76	291.08	-0.34	-57.10
[N-]=[N+]=NCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081775	0	30	-1.0	-59.07	287.50	-5.01	-64.08
C[C@H](O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081776	0	32	-1.0	-53.56	283.69	-3.31	-56.87
CON=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081777	0	32	-1.0	-57.47	299.97	-2.40	-59.87
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081778	0	35	-1.0	-49.41	308.05	0.46	-48.95
C=C(C)CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081779	0	35	-1.0	-49.12	311.77	0.26	-48.86
C=CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081780	0	32	-1.0	-49.84	291.29	-0.38	-50.22
CN(C)CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081781	0	36	-1.0	-50.52	311.76	-2.61	-53.13
N#CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081782	0	29	-1.0	-64.93	277.71	-1.23	-66.16
O=C(CCF)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081783	0	31	-1.0	-49.15	284.86	-0.77	-49.92
C[C@@H](O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081784	0	32	-1.0	-53.07	284.57	-3.27	-56.34
C=C1CC1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081785	0	33	-1.0	-50.00	301.66	0.39	-49.61
CC1=CC1C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081786	0	33	-1.0	-49.85	302.87	0.53	-49.32
C=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005081787	0	29	-1.0	-56.93	269.35	-1.23	-58.16
C[C@H](O)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081788	0	32	-1.0	-55.89	284.96	-2.79	-58.68
C=C1CC1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081789	0	33	-1.0	-57.73	298.96	0.62	-57.11
C=C(C)CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081790	0	35	-1.0	-58.17	309.50	0.48	-57.69
CC=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081791	0	32	-1.0	-57.98	288.45	-0.10	-58.08
C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081792	0	35	-1.0	-58.05	306.85	0.72	-57.33
O=C(N[C@H]1CCN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005081793	0	33	-1.0	-57.46	293.77	-3.03	-60.49
CCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081794	0	31	-1.0	-58.16	274.89	-0.71	-58.87
CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081795	0	28	-1.0	-56.08	253.56	-1.46	-57.54
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005081796	0	32	-1.0	-56.15	284.80	0.13	-56.02
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCC1	REAL250005081797	0	35	-1.0	-56.03	300.95	0.63	-55.40
O=C(CC1CC1)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081798	0	35	-1.0	-56.55	305.18	0.90	-55.65
COCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081799	0	32	-1.0	-61.42	287.62	-1.35	-62.77
CCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081800	0	34	-1.0	-57.93	296.39	0.05	-57.88
CC(C)CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081801	0	37	-1.0	-57.57	313.12	0.64	-56.93
CC1CC1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081802	0	35	-1.0	-57.76	306.82	0.71	-57.05
CC(C)=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081803	0	35	-1.0	-57.01	304.36	0.59	-56.42
CCCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081804	0	37	-1.0	-56.35	317.25	0.90	-55.45
CC(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081805	0	34	-1.0	-56.15	293.82	0.01	-56.14
CCC(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081806	0	37	-1.0	-57.62	312.56	0.58	-57.04
C=CCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081807	0	35	-1.0	-57.96	309.20	0.62	-57.34
CC=C(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081808	0	35	-1.0	-56.42	302.57	0.65	-55.77
CC1(C(=O)N[C@@H]2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005081809	0	35	-1.0	-57.56	303.17	0.65	-56.91
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081810	0	35	-1.0	-56.16	306.18	0.80	-55.36
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081811	0	35	-1.0	-55.58	306.05	0.79	-54.79
NC(=O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081812	0	29	-1.0	-54.13	269.63	-5.31	-59.44
CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081813	0	37	-1.0	-55.98	312.69	0.59	-55.39
C=CCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081814	0	32	-1.0	-58.61	287.85	-0.18	-58.79
CN(C)CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081815	0	36	-1.0	-56.17	307.66	-2.32	-58.49
C=CC(O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081816	0	33	-1.0	-57.88	296.29	-2.13	-60.01
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1COC1	REAL250005081817	0	33	-1.0	-56.14	291.59	-2.15	-58.29
CCC=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081818	0	35	-1.0	-56.22	308.93	0.72	-55.50
[N-]=[N+]=NCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081819	0	30	-1.0	-60.79	284.05	-4.77	-65.56
O=C(CO)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081820	0	29	-1.0	-63.25	265.36	-3.65	-66.90
CC(O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081821	0	32	-1.0	-55.86	284.95	-2.80	-58.66
O=C(CCF)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081822	0	31	-1.0	-56.75	281.48	-0.57	-57.32
C#CCCC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081823	0	33	-1.0	-56.26	301.52	0.64	-55.62
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1CCO1	REAL250005081824	0	33	-1.0	-62.95	293.36	-1.10	-64.05
CC1=CC1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081825	0	33	-1.0	-56.60	299.85	0.82	-55.78
C[C@@H](O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081826	0	32	-1.0	-56.39	285.10	-2.79	-59.18
O=C(C=CCO)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081827	0	33	-1.0	-60.06	298.94	-3.40	-63.46
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1=CCC1	REAL250005081828	0	33	-1.0	-56.91	294.73	0.64	-56.27
CON=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081829	0	32	-1.0	-58.69	296.73	-2.07	-60.76
O=C(CC1CC1)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081830	0	35	-1.0	-49.89	309.34	0.61	-49.28
COCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081831	0	32	-1.0	-60.59	291.11	-1.53	-62.12
CCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081832	0	34	-1.0	-49.64	299.90	-0.15	-49.79
CC(C)CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081833	0	37	-1.0	-49.30	316.63	0.44	-48.86
CC1CC1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081834	0	35	-1.0	-49.59	309.75	0.48	-49.11
CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081835	0	35	-1.0	-56.50	307.35	0.33	-56.17
CCCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081836	0	37	-1.0	-49.74	321.40	0.63	-49.11
CC(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081837	0	34	-1.0	-49.13	292.35	-0.58	-49.71
CCC(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081838	0	37	-1.0	-50.05	316.50	0.24	-49.81
C=CCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081839	0	35	-1.0	-49.63	312.72	0.41	-49.22
CC(C#N)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081840	0	32	-1.0	-56.06	297.46	-0.77	-56.83
CC=C(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081841	0	35	-1.0	-55.99	311.30	0.22	-55.77
CCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081842	0	31	-1.0	-50.45	278.28	-0.90	-51.35
CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081843	0	28	-1.0	-56.02	255.31	-1.79	-57.81
O=C(N[C@@H]1CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005081844	0	32	-1.0	-49.51	287.57	-0.20	-49.71
O=C(N[C@@H]1CCN(C(=O)C2CCC2)C1)c1nsnc1[O-]	REAL250005081845	0	35	-1.0	-49.57	305.02	0.34	-49.23
NC(=O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081846	0	29	-1.0	-50.16	269.82	-5.59	-55.75
CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081847	0	37	-1.0	-48.26	305.92	-0.28	-48.54
CC1(C(=O)N2CC[C@@H](NC(=O)c3nsnc3[O-])C2)CC1	REAL250005081848	0	35	-1.0	-49.34	305.83	0.12	-49.22
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081849	0	35	-1.0	-49.23	309.00	0.48	-48.75
C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081850	0	35	-1.0	-49.56	309.80	0.46	-49.10
O=C(CO)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081851	0	29	-1.0	-61.81	268.71	-3.80	-65.61
O=C(N[C@@H]1CCN(C(=O)C2CCO2)C1)c1nsnc1[O-]	REAL250005081852	0	33	-1.0	-53.88	294.37	-1.42	-55.30
O=C(N[C@@H]1CCN(C(=O)C2COC2)C1)c1nsnc1[O-]	REAL250005081853	0	33	-1.0	-49.66	294.05	-2.47	-52.13
O=C(C=CCO)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081854	0	33	-1.0	-60.36	302.20	-3.71	-64.07
CCC=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081855	0	35	-1.0	-55.79	311.06	0.41	-55.38
C#CCCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081856	0	33	-1.0	-49.64	305.72	0.34	-49.30
C=CC(O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081857	0	33	-1.0	-49.89	294.24	-2.52	-52.41
CC(O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081858	0	32	-1.0	-51.10	284.36	-3.23	-54.33
CC(=O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081859	0	30	-1.0	-51.27	276.97	-1.83	-53.10
O=C(N[C@@H]1CCN(C(=O)C2(O)CC2)C1)c1nsnc1[O-]	REAL250005081860	0	33	-1.0	-47.72	297.76	-3.51	-51.23
O=C(N[C@@H]1CCN(C(=O)C2=CCC2)C1)c1nsnc1[O-]	REAL250005081861	0	33	-1.0	-51.10	293.53	0.12	-50.98
CC=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081862	0	32	-1.0	-56.80	291.10	-0.34	-57.14
[N-]=[N+]=NCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081863	0	30	-1.0	-58.07	286.61	-5.01	-63.08
C[C@H](O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081864	0	32	-1.0	-50.29	284.21	-3.28	-53.57
CON=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081865	0	32	-1.0	-57.46	299.99	-2.40	-59.86
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081866	0	35	-1.0	-49.23	309.00	0.48	-48.75
C=C(C)CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081867	0	35	-1.0	-49.41	311.36	0.25	-49.16
C=CCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081868	0	32	-1.0	-49.40	290.07	-0.39	-49.79
CN(C)CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081869	0	36	-1.0	-50.10	311.89	-2.62	-52.72
N#CCC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081870	0	29	-1.0	-64.93	277.71	-1.23	-66.16
O=C(CCF)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081871	0	31	-1.0	-48.28	283.74	-0.79	-49.07
C[C@@H](O)C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081872	0	32	-1.0	-50.50	284.58	-3.27	-53.77
C=C1CC1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081873	0	33	-1.0	-49.72	301.90	0.39	-49.33
CC1=CC1C(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081874	0	33	-1.0	-49.85	302.44	0.51	-49.34
C=CC(=O)N1CC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005081875	0	29	-1.0	-56.77	268.35	-1.23	-58.00
C[C@H](O)C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081876	0	32	-1.0	-60.59	284.61	-2.77	-63.36
C=C1CC1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081877	0	33	-1.0	-56.00	298.34	0.70	-55.30
C=C(C)CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081878	0	35	-1.0	-55.67	308.68	0.55	-55.12
CC=CC(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081879	0	32	-1.0	-56.42	287.84	-0.04	-56.46
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081880	0	35	-1.0	-56.16	306.18	0.80	-55.36
O=C(N[C@@H]1CCN(C(=O)c2nsnc2[O-])C1)C1(O)CC1	REAL250005081881	0	33	-1.0	-57.21	293.73	-3.02	-60.23
CCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081882	0	34	-1.0	-52.85	286.91	1.02	-51.83
CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081883	0	31	-1.0	-55.85	267.18	0.18	-55.67
CN(C(=O)C1CC1)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081884	0	35	-1.0	-53.14	297.00	1.76	-51.38
CCCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081885	0	37	-1.0	-52.56	308.41	1.79	-50.77
CC(C)C(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081886	0	37	-1.0	-52.26	304.57	1.43	-50.83
CN(C(=O)C(N)=O)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081887	0	32	-1.0	-56.50	278.54	-3.52	-60.02
C=CCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081888	0	35	-1.0	-52.77	299.82	1.56	-51.21
CN(C(=O)CO)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081889	0	32	-1.0	-57.23	277.38	-1.89	-59.12
CCCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081890	0	37	-1.0	-53.83	309.18	1.86	-51.97
CC(C)C(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081891	0	37	-1.0	-50.05	307.58	1.60	-48.45
CCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081892	0	34	-1.0	-54.16	287.68	1.09	-53.07
CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081893	0	31	-1.0	-55.72	266.68	0.24	-55.48
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)C2CC2)C1	REAL250005081894	0	35	-1.0	-54.77	298.14	1.86	-52.91
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)C(N)=O)C1	REAL250005081895	0	32	-1.0	-51.37	280.63	-3.61	-54.98
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)CO)C1	REAL250005081896	0	32	-1.0	-58.70	278.13	-1.78	-60.48
CC(=O)C(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081897	0	33	-1.0	-51.09	288.04	0.19	-50.90
CC=CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081898	0	35	-1.0	-55.41	301.13	1.68	-53.73
C=CCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081899	0	35	-1.0	-54.01	300.59	1.63	-52.38
CN(C(=O)c1nsnc1[O-])C1CCN(C(=O)CC#N)C1	REAL250005081900	0	32	-1.0	-62.23	287.14	0.78	-61.45
C=CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005081901	0	32	-1.0	-55.65	279.45	0.78	-54.87
CC=CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081902	0	35	-1.0	-52.79	299.66	1.62	-51.17
CCC(=O)N(CC)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081903	0	37	-1.0	-56.89	305.56	1.97	-54.92
CCN(C(C)=O)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005081904	0	34	-1.0	-56.62	285.54	1.19	-55.43
CCC(=O)N1CCC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005081905	0	37	-1.0	-56.05	305.12	2.18	-53.87
CCN(C(=O)c1nsnc1[O-])C1CCN(C(C)=O)C1	REAL250005081906	0	34	-1.0	-56.50	283.55	1.32	-55.18
C=CC(=O)N1CCC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005081907	0	35	-1.0	-60.81	295.47	1.82	-58.99
CCC(=O)NC1CCCCN(C(=O)c2nsnc2[O-])C1	REAL250005081908	0	37	-1.0	-60.95	295.71	1.49	-59.46
CC(=O)NC1CCCCN(C(=O)c2nsnc2[O-])C1	REAL250005081909	0	34	-1.0	-61.15	275.41	0.68	-60.47
CCC(=O)N1CCCCC(NC(=O)c2nsnc2[O-])C1	REAL250005081910	0	37	-1.0	-64.54	307.42	0.80	-63.74
CC(=O)N1CCCCC(NC(=O)c2nsnc2[O-])C1	REAL250005081911	0	34	-1.0	-53.48	285.42	0.02	-53.46
C=CC(=O)N1CCCCC(NC(=O)c2nsnc2[O-])C1	REAL250005081912	0	35	-1.0	-48.10	295.56	0.45	-47.65
CC(=O)NCCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081913	0	37	-1.0	-61.60	308.89	0.45	-61.15
CC(=O)N1CCCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005081914	0	37	-1.0	-58.50	309.98	0.20	-58.30
CCC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081915	0	33	-1.0	-46.94	288.63	-1.72	-48.66
CCC(CNC(C)=O)NC(=O)c1nsnc1[O-]	REAL250005081916	0	30	-1.0	-47.27	268.04	-2.54	-49.81
CCC(CNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005081917	0	34	-1.0	-46.98	299.12	-0.94	-47.92
CCC(CNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005081918	0	37	-1.0	-46.59	315.37	-0.44	-47.03
CCC(CNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005081919	0	37	-1.0	-46.79	319.58	-0.18	-46.97
CCC(CNC(=O)COC)NC(=O)c1nsnc1[O-]	REAL250005081920	0	34	-1.0	-49.19	301.36	-2.36	-51.55
CCCC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081921	0	36	-1.0	-46.68	310.13	-0.96	-47.64
CCC(CNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005081922	0	37	-1.0	-46.79	320.54	-0.27	-47.06
CCC(CNC(=O)C=C(C)C)NC(=O)c1nsnc1[O-]	REAL250005081923	0	37	-1.0	-46.96	318.11	-0.41	-47.37
CCC(CNC(=O)C(C)C)NC(=O)c1nsnc1[O-]	REAL250005081924	0	36	-1.0	-46.50	308.18	-1.06	-47.56
C=CCCC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081925	0	37	-1.0	-46.69	322.94	-0.40	-47.09
CC=C(C)C(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081926	0	37	-1.0	-47.25	316.95	-0.44	-47.69
CCC(CNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005081927	0	37	-1.0	-46.83	316.91	-0.35	-47.18
CCC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005081928	0	37	-1.0	-46.88	320.53	-0.27	-47.15
CCC(CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005081929	0	37	-1.0	-46.81	320.53	-0.27	-47.08
CCC(CNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005081930	0	31	-1.0	-50.19	283.98	-6.40	-56.59
C=CCC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081931	0	34	-1.0	-46.90	301.55	-1.18	-48.08
CCC=CC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081932	0	37	-1.0	-47.16	323.30	-0.35	-47.51
CCC(CNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005081933	0	32	-1.0	-48.04	297.74	-5.77	-53.81
CCC(CNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005081934	0	31	-1.0	-50.60	279.10	-4.64	-55.24
CCC(CNC(=O)C(C)O)NC(=O)c1nsnc1[O-]	REAL250005081935	0	34	-1.0	-49.91	299.77	-3.88	-53.79
CCC(CNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005081936	0	33	-1.0	-46.55	295.23	-1.58	-48.13
C#CCCC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081937	0	35	-1.0	-47.36	315.92	-0.44	-47.80
CCC(CNC(=O)C1C=C1C)NC(=O)c1nsnc1[O-]	REAL250005081938	0	35	-1.0	-48.20	314.21	-0.25	-48.45
CCC(CNC(=O)[C@@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005081939	0	34	-1.0	-49.88	299.78	-3.88	-53.76
CCC(CNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005081940	0	35	-1.0	-47.96	309.64	-0.38	-48.34
CCC(CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005081941	0	37	-1.0	-47.36	319.59	-0.09	-47.45
CCC(CNC(=O)c1nsnc1[O-])NC(=O)COC	REAL250005081942	0	34	-1.0	-49.82	301.38	-2.36	-52.18
CCCC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081943	0	36	-1.0	-47.22	310.15	-0.86	-48.08
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005081944	0	37	-1.0	-47.23	320.51	-0.18	-47.41
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C=C(C)C	REAL250005081945	0	37	-1.0	-46.94	318.32	-0.31	-47.25
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)C	REAL250005081946	0	36	-1.0	-47.05	308.20	-0.95	-48.00
C=CCCC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081947	0	37	-1.0	-47.08	322.96	-0.30	-47.38
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)C#N	REAL250005081948	0	34	-1.0	-52.16	307.63	-1.33	-53.49
CC=C(C)C(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081949	0	37	-1.0	-47.52	316.95	-0.32	-47.84
CCC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081950	0	33	-1.0	-47.38	288.65	-1.63	-49.01
CCC(CNC(=O)c1nsnc1[O-])NC(C)=O	REAL250005081951	0	30	-1.0	-47.74	268.06	-2.43	-50.17
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005081952	0	34	-1.0	-47.31	299.18	-0.86	-48.17
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005081953	0	37	-1.0	-46.98	315.37	-0.34	-47.32
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005081954	0	31	-1.0	-48.46	284.00	-6.29	-54.75
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005081955	0	37	-1.0	-47.11	316.89	-0.25	-47.36
CCC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005081956	0	37	-1.0	-47.17	320.55	-0.18	-47.35
CCC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005081957	0	37	-1.0	-47.20	320.55	-0.18	-47.38
CCC(CNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005081958	0	31	-1.0	-51.32	279.12	-4.64	-55.96
CCC=CC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081959	0	37	-1.0	-47.34	323.30	-0.24	-47.58
C#CCCC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081960	0	35	-1.0	-47.70	315.93	-0.34	-48.04
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)O	REAL250005081961	0	34	-1.0	-50.63	299.79	-3.89	-54.52
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C(C)=O	REAL250005081962	0	32	-1.0	-47.28	290.91	-2.48	-49.76
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005081963	0	35	-1.0	-48.04	309.64	-0.27	-48.31
CC=CC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081964	0	34	-1.0	-47.61	302.21	-1.00	-48.61
CCC(CNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005081965	0	32	-1.0	-48.96	297.76	-5.67	-54.63
CCC(CNC(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005081966	0	34	-1.0	-47.58	299.45	-3.87	-51.45
CCC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005081967	0	37	-1.0	-47.17	320.55	-0.18	-47.35
C=C(C)CC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081968	0	37	-1.0	-47.35	322.92	-0.44	-47.79
C=CCC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081969	0	34	-1.0	-47.39	301.57	-1.08	-48.47
CCC(CNC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005081970	0	31	-1.0	-54.26	288.12	-1.95	-56.21
CCC(CNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005081971	0	33	-1.0	-46.88	295.24	-1.49	-48.37
CCC(CNC(=O)c1nsnc1[O-])NC(=O)[C@@H](C)O	REAL250005081972	0	34	-1.0	-47.58	299.45	-3.87	-51.45
C=C1CC1C(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081973	0	35	-1.0	-47.53	312.74	-0.29	-47.82
CCC(CNC(=O)c1nsnc1[O-])NC(=O)C1C=C1C	REAL250005081974	0	35	-1.0	-48.17	314.18	-0.15	-48.32
C=CC(=O)NC(CC)CNC(=O)c1nsnc1[O-]	REAL250005081975	0	31	-1.0	-47.71	280.49	-1.89	-49.60
CCC(CNC(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005081976	0	34	-1.0	-47.32	299.44	-3.85	-51.17
C=C1CC1C(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081977	0	35	-1.0	-47.40	312.74	-0.37	-47.77
C=C(C)CC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081978	0	37	-1.0	-46.83	323.16	-0.53	-47.36
CC=CC(=O)NCC(CC)NC(=O)c1nsnc1[O-]	REAL250005081979	0	34	-1.0	-47.34	302.21	-1.11	-48.45
CCC(CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005081980	0	37	-1.0	-46.88	320.53	-0.27	-47.15
CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCC1	REAL250005081981	0	37	-1.0	-54.66	311.69	-0.53	-55.19
CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCC1	REAL250005081982	0	34	-1.0	-54.72	291.11	-1.35	-56.07
CCC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCC1	REAL250005081983	0	37	-1.0	-55.78	312.45	-0.64	-56.42
CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCC1	REAL250005081984	0	34	-1.0	-55.95	292.16	-1.46	-57.41
C=CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCC1	REAL250005081985	0	35	-1.0	-56.27	304.30	-0.93	-57.20
CCC(=O)NC(C)(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005081986	0	37	-1.0	-54.92	309.46	-0.39	-55.31
CC(=O)NC(C)(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005081987	0	34	-1.0	-54.14	290.48	-1.19	-55.33
CCC(=O)NCC(C)(NC(=O)c1nsnc1[O-])C1CC1	REAL250005081988	0	37	-1.0	-54.28	311.07	-0.51	-54.79
CC(=O)NCC(C)(NC(=O)c1nsnc1[O-])C1CC1	REAL250005081989	0	34	-1.0	-54.35	290.48	-1.31	-55.66
C=CC(=O)NCC(C)(NC(=O)c1nsnc1[O-])C1CC1	REAL250005081990	0	35	-1.0	-54.74	302.92	-0.79	-55.53
CC(=O)N1CCCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005081991	0	37	-1.0	-58.50	309.98	0.20	-58.30
CC(=O)NCCC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005081992	0	37	-1.0	-61.60	308.89	0.45	-61.15
CC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])CC1	REAL250005081993	0	37	-1.0	-51.15	311.38	0.30	-50.85
CC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005081994	0	37	-1.0	-55.36	308.18	0.44	-54.92
CCC(=O)N[C@H]1CC[C@H](NC(=O)c2nsnc2[O-])CC1	REAL250005081995	0	37	-1.0	-50.69	316.38	-0.66	-51.35
CC(=O)N[C@H]1CC[C@H](NC(=O)c2nsnc2[O-])CC1	REAL250005081996	0	34	-1.0	-53.79	296.09	-1.48	-55.27
CCC(=O)N[C@H]1CC[C@H](NC(=O)c2nsnc2[O-])CC1	REAL250005081997	0	37	-1.0	-50.69	316.38	-0.66	-51.35
CC(=O)N[C@H]1CC[C@H](NC(=O)c2nsnc2[O-])CC1	REAL250005081998	0	34	-1.0	-53.79	296.09	-1.48	-55.27
C=CC(=O)N[C@H]1CC[C@H](NC(=O)c2nsnc2[O-])CC1	REAL250005081999	0	35	-1.0	-53.73	308.22	-0.92	-54.65
CC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005082000	0	37	-1.0	-55.36	308.18	0.44	-54.92
CC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])CC1	REAL250005082001	0	37	-1.0	-51.15	311.38	0.30	-50.85
CCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082002	0	34	-1.0	-56.83	295.65	-0.18	-57.01
CC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082003	0	31	-1.0	-57.37	274.20	-1.09	-58.46
O=C(NC[C@H]1CCCN1C(=O)C1CC1)c1nsnc1[O-]	REAL250005082004	0	35	-1.0	-57.16	305.15	0.52	-56.64
CCCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082005	0	37	-1.0	-56.20	317.54	0.55	-55.65
CC(C)C(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082006	0	37	-1.0	-56.95	310.49	0.13	-56.82
NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082007	0	32	-1.0	-52.95	288.71	-4.91	-57.86
C=CCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082008	0	35	-1.0	-57.10	308.54	0.32	-56.78
O=C(CO)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082009	0	32	-1.0	-61.40	286.54	-3.14	-64.54
CCCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082010	0	37	-1.0	-60.04	314.72	0.74	-59.30
CC(C)C(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082011	0	37	-1.0	-59.81	311.78	0.66	-59.15
CCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082012	0	34	-1.0	-61.26	293.05	-0.05	-61.31
CC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082013	0	31	-1.0	-60.24	271.93	-0.82	-61.06
O=C(NC[C@H]1CCCN1C(=O)c1nsnc1[O-])C1CC1	REAL250005082014	0	35	-1.0	-60.14	303.71	0.77	-59.37
NC(=O)C(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082015	0	32	-1.0	-54.81	287.56	-4.65	-59.46
O=C(CO)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082016	0	32	-1.0	-66.36	283.52	-2.97	-69.33
CC(=O)C(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082017	0	33	-1.0	-55.70	295.29	-0.92	-56.62
CC=CC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082018	0	35	-1.0	-60.11	305.78	0.61	-59.50
C=CCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082019	0	35	-1.0	-61.36	305.97	0.49	-60.87
N#CCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082020	0	32	-1.0	-67.92	291.69	-0.33	-68.25
C=CC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005082021	0	32	-1.0	-60.21	284.06	-0.28	-60.49
CC=CC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005082022	0	35	-1.0	-57.63	308.73	0.36	-57.27
CCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082023	0	33	-1.0	-52.98	293.42	-1.72	-54.70
CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082024	0	30	-1.0	-53.30	273.11	-2.53	-55.83
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1CC1	REAL250005082025	0	34	-1.0	-52.75	303.93	-0.95	-53.70
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1CCC1	REAL250005082026	0	37	-1.0	-52.66	320.13	-0.45	-53.11
CC(CNC(=O)CC1CC1)CNC(=O)c1nsnc1[O-]	REAL250005082027	0	37	-1.0	-53.12	324.35	-0.18	-53.30
COCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082028	0	34	-1.0	-56.09	306.14	-2.35	-58.44
CCCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082029	0	36	-1.0	-52.77	314.92	-0.95	-53.72
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1CC1C	REAL250005082030	0	37	-1.0	-52.62	325.31	-0.28	-52.90
CC(C)=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082031	0	37	-1.0	-52.06	322.90	-0.40	-52.46
CC(C)C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082032	0	36	-1.0	-52.59	312.96	-1.05	-53.64
C=CCCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082033	0	37	-1.0	-52.68	327.73	-0.39	-53.07
CC=C(C)C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082034	0	37	-1.0	-52.99	321.73	-0.43	-53.42
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1(C)CC1	REAL250005082035	0	37	-1.0	-52.48	321.69	-0.34	-52.82
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@@H]1C[C@H]1C	REAL250005082036	0	37	-1.0	-52.62	325.31	-0.28	-52.90
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@H]1C[C@@H]1C	REAL250005082037	0	37	-1.0	-52.61	325.32	-0.28	-52.89
CC(CNC(=O)C(N)=O)CNC(=O)c1nsnc1[O-]	REAL250005082038	0	31	-1.0	-50.45	288.76	-6.38	-56.83
C=CCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082039	0	34	-1.0	-53.08	306.33	-1.17	-54.25
CCC=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082040	0	37	-1.0	-52.77	328.08	-0.35	-53.12
CC(CNC(=O)CN=[N+]=[N-])CNC(=O)c1nsnc1[O-]	REAL250005082041	0	32	-1.0	-55.41	302.53	-5.77	-61.18
CC(CNC(=O)CO)CNC(=O)c1nsnc1[O-]	REAL250005082042	0	31	-1.0	-57.78	283.88	-4.64	-62.42
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C(C)O	REAL250005082043	0	34	-1.0	-53.56	304.21	-3.85	-57.41
CC(CNC(=O)CCF)CNC(=O)c1nsnc1[O-]	REAL250005082044	0	33	-1.0	-51.96	300.01	-1.58	-53.54
C#CCCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082045	0	35	-1.0	-52.76	320.70	-0.43	-53.19
CC1=CC1C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082046	0	35	-1.0	-53.29	318.94	-0.24	-53.53
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@@H](C)O	REAL250005082047	0	34	-1.0	-53.59	304.21	-3.85	-57.44
CC(CNC(=O)C1=CCC1)CNC(=O)c1nsnc1[O-]	REAL250005082048	0	35	-1.0	-53.43	314.41	-0.37	-53.80
CC(CNC(=O)CC1CC1)CNC(=O)c1nsnc1[O-]	REAL250005082049	0	37	-1.0	-53.12	324.35	-0.18	-53.30
COCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082050	0	34	-1.0	-56.09	306.14	-2.35	-58.44
CCCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082051	0	36	-1.0	-52.77	314.92	-0.95	-53.72
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1CC1C	REAL250005082052	0	37	-1.0	-52.62	325.31	-0.28	-52.90
CC(C)=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082053	0	37	-1.0	-52.06	322.90	-0.40	-52.46
CC(C)C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082054	0	36	-1.0	-52.59	312.96	-1.05	-53.64
C=CCCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082055	0	37	-1.0	-52.68	327.73	-0.39	-53.07
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C(C)C#N	REAL250005082056	0	34	-1.0	-59.90	312.39	-1.43	-61.33
CC=C(C)C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082057	0	37	-1.0	-52.99	321.73	-0.43	-53.42
CCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082058	0	33	-1.0	-52.98	293.42	-1.72	-54.70
CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082059	0	30	-1.0	-53.30	273.11	-2.53	-55.83
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1CC1	REAL250005082060	0	34	-1.0	-52.75	303.93	-0.95	-53.70
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1CCC1	REAL250005082061	0	37	-1.0	-52.66	320.13	-0.45	-53.11
CC(CNC(=O)C(N)=O)CNC(=O)c1nsnc1[O-]	REAL250005082062	0	31	-1.0	-50.45	288.76	-6.38	-56.83
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C1(C)CC1	REAL250005082063	0	37	-1.0	-52.48	321.69	-0.34	-52.82
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@@H]1C[C@H]1C	REAL250005082064	0	37	-1.0	-52.62	325.31	-0.28	-52.90
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@H]1C[C@@H]1C	REAL250005082065	0	37	-1.0	-52.61	325.32	-0.28	-52.89
CC(CNC(=O)CO)CNC(=O)c1nsnc1[O-]	REAL250005082066	0	31	-1.0	-57.78	283.88	-4.64	-62.42
CCC=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082067	0	37	-1.0	-52.77	328.08	-0.35	-53.12
C#CCCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082068	0	35	-1.0	-52.76	320.70	-0.43	-53.19
CC(CNC(=O)c1nsnc1[O-])CNC(=O)C(C)O	REAL250005082069	0	34	-1.0	-53.56	304.21	-3.85	-57.41
CC(=O)C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082070	0	32	-1.0	-49.65	295.67	-2.57	-52.22
CC(CNC(=O)C1=CCC1)CNC(=O)c1nsnc1[O-]	REAL250005082071	0	35	-1.0	-53.43	314.41	-0.37	-53.80
CC=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082072	0	34	-1.0	-52.91	306.99	-1.11	-54.02
CC(CNC(=O)CN=[N+]=[N-])CNC(=O)c1nsnc1[O-]	REAL250005082073	0	32	-1.0	-55.41	302.53	-5.77	-61.18
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@H](C)O	REAL250005082074	0	34	-1.0	-53.58	304.21	-3.85	-57.43
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@@H]1C[C@H]1C	REAL250005082075	0	37	-1.0	-52.62	325.31	-0.28	-52.90
C=C(C)CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082076	0	37	-1.0	-52.82	327.94	-0.52	-53.34
C=CCC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082077	0	34	-1.0	-53.08	306.33	-1.17	-54.25
CC(CNC(=O)CC#N)CNC(=O)c1nsnc1[O-]	REAL250005082078	0	31	-1.0	-61.97	292.88	-2.05	-64.02
CC(CNC(=O)CCF)CNC(=O)c1nsnc1[O-]	REAL250005082079	0	33	-1.0	-51.96	300.01	-1.58	-53.54
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@@H](C)O	REAL250005082080	0	34	-1.0	-53.59	304.21	-3.85	-57.44
C=C1CC1C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082081	0	35	-1.0	-52.71	317.50	-0.38	-53.09
CC1=CC1C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082082	0	35	-1.0	-53.29	318.94	-0.24	-53.53
C=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082083	0	31	-1.0	-53.07	285.26	-1.99	-55.06
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@H](C)O	REAL250005082084	0	34	-1.0	-53.58	304.21	-3.85	-57.43
C=C1CC1C(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082085	0	35	-1.0	-52.71	317.50	-0.38	-53.09
C=C(C)CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082086	0	37	-1.0	-52.82	327.94	-0.52	-53.34
CC=CC(=O)NCC(C)CNC(=O)c1nsnc1[O-]	REAL250005082087	0	34	-1.0	-52.91	306.99	-1.11	-54.02
CC(CNC(=O)c1nsnc1[O-])CNC(=O)[C@@H]1C[C@H]1C	REAL250005082088	0	37	-1.0	-52.62	325.31	-0.28	-52.90
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CCO1	REAL250005082089	0	32	-1.0	-51.77	281.50	-2.33	-54.10
CC(=O)N1CCOC(CNC(=O)c2nsnc2[O-])C1	REAL250005082090	0	32	-1.0	-53.92	284.37	-2.55	-56.47
C=CC(=O)N1CCOC(CNC(=O)c2nsnc2[O-])C1	REAL250005082091	0	33	-1.0	-50.78	295.40	-2.08	-52.86
CCC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCC1	REAL250005082092	0	37	-1.0	-55.78	312.45	-0.64	-56.42
CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCCC1	REAL250005082093	0	34	-1.0	-55.95	292.16	-1.46	-57.41
CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCC1	REAL250005082094	0	37	-1.0	-54.66	311.69	-0.53	-55.19
CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCC1	REAL250005082095	0	34	-1.0	-54.72	291.11	-1.35	-56.07
C=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCCC1	REAL250005082096	0	35	-1.0	-55.46	304.14	-0.82	-56.28
CC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005082097	0	35	-1.0	-53.81	295.24	1.11	-52.70
CC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])CC2	REAL250005082098	0	35	-1.0	-53.66	294.84	1.22	-52.44
CCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082099	0	33	-1.0	-50.55	288.13	-0.31	-50.86
CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082100	0	30	-1.0	-50.50	266.94	-1.15	-51.65
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1CC1	REAL250005082101	0	34	-1.0	-50.55	298.56	0.41	-50.14
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1CCC1	REAL250005082102	0	37	-1.0	-49.97	314.43	0.93	-49.04
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CC1CC1	REAL250005082103	0	37	-1.0	-50.56	319.07	1.23	-49.33
COCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082104	0	34	-1.0	-52.88	300.87	-0.96	-53.84
CCCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082105	0	36	-1.0	-50.35	309.63	0.45	-49.90
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1CC1C	REAL250005082106	0	37	-1.0	-50.22	319.96	1.09	-49.13
CC(C)=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082107	0	37	-1.0	-49.70	316.95	0.96	-48.74
CC(C)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082108	0	36	-1.0	-50.31	302.58	0.08	-50.23
C=CCCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082109	0	37	-1.0	-50.51	322.44	1.02	-49.49
CC=C(C)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082110	0	37	-1.0	-50.92	315.96	0.62	-50.30
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1(C)CC1	REAL250005082111	0	37	-1.0	-50.98	315.72	0.74	-50.24
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005082112	0	37	-1.0	-50.21	319.26	1.08	-49.13
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@H]1C[C@@H]1C	REAL250005082113	0	37	-1.0	-50.53	319.94	1.09	-49.44
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C(N)=O	REAL250005082114	0	31	-1.0	-48.75	281.03	-4.92	-53.67
C=CCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082115	0	34	-1.0	-49.91	301.06	0.22	-49.69
CCC=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082116	0	37	-1.0	-50.17	321.99	1.03	-49.14
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CN=[N+]=[N-]	REAL250005082117	0	32	-1.0	-51.69	297.27	-4.42	-56.11
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CO	REAL250005082118	0	31	-1.0	-54.34	278.62	-3.24	-57.58
CC(O)C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082119	0	34	-1.0	-49.44	295.67	-2.64	-52.08
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)CCF	REAL250005082120	0	33	-1.0	-49.47	294.72	-0.17	-49.64
C#CCCC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082121	0	35	-1.0	-50.49	315.41	0.97	-49.52
CC1=CC1C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082122	0	35	-1.0	-51.21	312.91	1.12	-50.09
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@@H](C)O	REAL250005082123	0	34	-1.0	-54.61	294.16	-2.71	-57.32
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)C1=CCC1	REAL250005082124	0	35	-1.0	-51.77	304.55	0.82	-50.95
CC(CNC(=O)CC1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005082125	0	37	-1.0	-46.87	316.65	1.52	-45.35
COCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082126	0	34	-1.0	-48.83	298.49	-0.64	-49.47
CCCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082127	0	36	-1.0	-46.80	307.27	0.77	-46.03
CC(CNC(=O)C1CC1C)N(C)C(=O)c1nsnc1[O-]	REAL250005082128	0	37	-1.0	-46.83	317.65	1.45	-45.38
CC(C)=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082129	0	37	-1.0	-47.98	315.03	1.29	-46.69
CC(C)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082130	0	36	-1.0	-46.86	305.32	0.65	-46.21
C=CCCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082131	0	37	-1.0	-46.80	320.08	1.33	-45.47
CC(C#N)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082132	0	34	-1.0	-48.54	304.69	0.28	-48.26
CC=C(C)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082133	0	37	-1.0	-48.03	314.03	1.27	-46.76
CCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082134	0	33	-1.0	-46.98	285.77	0.00	-46.98
CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082135	0	30	-1.0	-47.40	265.12	-0.82	-48.22
CC(CNC(=O)C1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005082136	0	34	-1.0	-47.24	295.86	0.79	-46.45
CC(CNC(=O)C1CCC1)N(C)C(=O)c1nsnc1[O-]	REAL250005082137	0	37	-1.0	-46.35	312.51	1.28	-45.07
CC(CNC(=O)C(N)=O)N(C)C(=O)c1nsnc1[O-]	REAL250005082138	0	31	-1.0	-53.12	281.06	-4.68	-57.80
CC(CNC(=O)C1(C)CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005082139	0	37	-1.0	-47.36	313.61	1.39	-45.97
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1nsnc1[O-]	REAL250005082140	0	37	-1.0	-46.79	317.68	1.44	-45.35
CC(CNC(=O)[C@H]1C[C@@H]1C)N(C)C(=O)c1nsnc1[O-]	REAL250005082141	0	37	-1.0	-46.95	317.08	1.46	-45.49
CC(CNC(=O)CO)N(C)C(=O)c1nsnc1[O-]	REAL250005082142	0	31	-1.0	-50.11	276.24	-2.92	-53.03
CCC=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082143	0	37	-1.0	-47.90	320.43	1.36	-46.54
C#CCCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082144	0	35	-1.0	-47.62	313.05	1.28	-46.34
CC(O)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082145	0	34	-1.0	-49.52	296.85	-2.17	-51.69
CC(=O)C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082146	0	32	-1.0	-51.33	288.45	-0.86	-52.19
CC(CNC(=O)C1=CCC1)N(C)C(=O)c1nsnc1[O-]	REAL250005082147	0	35	-1.0	-48.41	306.75	1.34	-47.07
CC=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082148	0	34	-1.0	-48.03	299.29	0.59	-47.44
CC(CNC(=O)CN=[N+]=[N-])N(C)C(=O)c1nsnc1[O-]	REAL250005082149	0	32	-1.0	-47.21	294.87	-4.05	-51.26
CC(CNC(=O)[C@H](C)O)N(C)C(=O)c1nsnc1[O-]	REAL250005082150	0	34	-1.0	-48.84	296.89	-2.16	-51.00
CC(CNC(=O)[C@@H]1C[C@H]1C)N(C)C(=O)c1nsnc1[O-]	REAL250005082151	0	37	-1.0	-46.79	317.68	1.44	-45.35
C=C(C)CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082152	0	37	-1.0	-47.05	320.33	1.20	-45.85
C=CCC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082153	0	34	-1.0	-47.05	298.68	0.54	-46.51
CC(CNC(=O)CC#N)N(C)C(=O)c1nsnc1[O-]	REAL250005082154	0	31	-1.0	-50.60	285.23	-0.33	-50.93
CC(CNC(=O)CCF)N(C)C(=O)c1nsnc1[O-]	REAL250005082155	0	33	-1.0	-46.67	292.36	0.14	-46.53
CC(CNC(=O)[C@@H](C)O)N(C)C(=O)c1nsnc1[O-]	REAL250005082156	0	34	-1.0	-47.26	296.54	-2.14	-49.40
C=C1CC1C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082157	0	35	-1.0	-48.08	309.80	1.32	-46.76
CC1=CC1C(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082158	0	35	-1.0	-48.65	311.32	1.46	-47.19
C=CC(=O)NCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005082159	0	31	-1.0	-48.08	277.56	-0.29	-48.37
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@H](C)O	REAL250005082160	0	34	-1.0	-51.30	293.86	-2.68	-53.98
C=C1CC1C(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082161	0	35	-1.0	-50.18	312.16	0.98	-49.20
C=C(C)CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082162	0	37	-1.0	-50.00	322.71	0.88	-49.12
CC=CC(=O)N(C)C(C)CNC(=O)c1nsnc1[O-]	REAL250005082163	0	34	-1.0	-50.45	300.90	0.27	-50.18
CC(CNC(=O)c1nsnc1[O-])N(C)C(=O)[C@@H]1C[C@H]1C	REAL250005082164	0	37	-1.0	-50.21	319.26	1.08	-49.13
CC(=O)NC(CNC(=O)c1nsnc1[O-])CC(C)C	REAL250005082165	0	36	-1.0	-48.26	311.82	-1.14	-49.40
CC(=O)NCC(CC(C)C)NC(=O)c1nsnc1[O-]	REAL250005082166	0	36	-1.0	-46.91	303.25	-1.35	-48.26
C=CC(=O)NCC(CC(C)C)NC(=O)c1nsnc1[O-]	REAL250005082167	0	37	-1.0	-47.42	323.69	-0.61	-48.03
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C(C)C1	REAL250005082168	0	37	-1.0	-48.54	311.00	0.64	-47.90
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C(C)C1	REAL250005082169	0	34	-1.0	-48.96	290.67	-0.13	-49.09
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005082170	0	37	-1.0	-51.58	308.16	0.85	-50.73
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005082171	0	34	-1.0	-51.50	283.94	0.41	-51.09
C=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005082172	0	35	-1.0	-51.61	300.00	0.59	-51.02
CC(=O)N1CCCCC1CCNC(=O)c1nsnc1[O-]	REAL250005082173	0	37	-1.0	-52.34	304.32	0.19	-52.15
CC(=O)NCCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005082174	0	37	-1.0	-48.15	302.05	0.26	-47.89
CC(=O)N1CCCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005082175	0	37	-1.0	-56.32	308.90	0.48	-55.84
CC(=O)NC(C)C1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005082176	0	37	-1.0	-50.51	305.78	0.65	-49.86
CC(=O)N1CCCC(C)C1CNC(=O)c1nsnc1[O-]	REAL250005082177	0	37	-1.0	-58.51	294.84	1.25	-57.26
CC(=O)NCC1C(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005082178	0	37	-1.0	-51.62	297.58	1.04	-50.58
CCC(=O)NCC(NC(=O)c1nsnc1[O-])C(C)C	REAL250005082179	0	36	-1.0	-47.08	308.70	-0.83	-47.91
CC(=O)NCC(NC(=O)c1nsnc1[O-])C(C)C	REAL250005082180	0	33	-1.0	-47.06	285.32	-2.05	-49.11
CC(C)C(CNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005082181	0	37	-1.0	-46.80	316.09	-0.46	-47.26
C=CCC(=O)NCC(NC(=O)c1nsnc1[O-])C(C)C	REAL250005082182	0	37	-1.0	-47.06	321.61	-0.29	-47.35
CC(C)C(CNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005082183	0	34	-1.0	-50.60	299.17	-3.75	-54.35
CCC(=O)NC(CNC(=O)c1nsnc1[O-])C(C)C	REAL250005082184	0	36	-1.0	-47.16	305.63	-1.14	-48.30
CC(=O)NC(CNC(=O)c1nsnc1[O-])C(C)C	REAL250005082185	0	33	-1.0	-47.46	283.69	-1.65	-49.11
CC(C)C(CNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005082186	0	37	-1.0	-47.10	316.15	-0.37	-47.47
CC(C)C(CNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005082187	0	34	-1.0	-51.03	296.10	-4.16	-55.19
CC=CC(=O)NC(CNC(=O)c1nsnc1[O-])C(C)C	REAL250005082188	0	37	-1.0	-47.36	319.19	-0.52	-47.88
C=CCC(=O)NC(CNC(=O)c1nsnc1[O-])C(C)C	REAL250005082189	0	37	-1.0	-47.07	318.54	-0.60	-47.67
CC(C)C(CNC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005082190	0	34	-1.0	-53.92	305.08	-1.46	-55.38
C=CC(=O)NC(CNC(=O)c1nsnc1[O-])C(C)C	REAL250005082191	0	34	-1.0	-47.47	297.46	-1.41	-48.88
CC=CC(=O)NCC(NC(=O)c1nsnc1[O-])C(C)C	REAL250005082192	0	37	-1.0	-47.44	322.27	-0.23	-47.67
CCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082193	0	33	-1.0	-49.92	288.54	1.20	-48.72
CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082194	0	30	-1.0	-65.00	268.50	0.44	-64.56
CN(CCN(C)C(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005082195	0	34	-1.0	-49.81	298.52	1.96	-47.85
CN(CCN(C)C(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005082196	0	37	-1.0	-49.64	315.12	2.47	-47.17
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005082197	0	37	-1.0	-49.77	319.48	2.74	-47.03
COCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082198	0	34	-1.0	-52.13	301.26	0.59	-51.54
CCCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082199	0	36	-1.0	-49.59	310.03	1.96	-47.63
CC1CC1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082200	0	37	-1.0	-65.52	319.91	2.62	-62.90
CC(C)=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082201	0	37	-1.0	-64.18	317.45	2.51	-61.67
CC(C)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082202	0	36	-1.0	-49.43	303.17	1.58	-47.85
C=CCCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082203	0	37	-1.0	-49.43	322.85	2.53	-46.90
CC=C(C)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082204	0	37	-1.0	-66.44	313.30	2.11	-64.33
CN(CCN(C)C(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005082205	0	37	-1.0	-65.38	316.16	2.27	-63.11
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082206	0	37	-1.0	-65.40	320.65	2.62	-62.78
C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082207	0	37	-1.0	-65.52	319.12	2.64	-62.88
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005082208	0	31	-1.0	-48.54	281.72	-3.42	-51.96
C=CCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082209	0	34	-1.0	-49.76	301.45	1.74	-48.02
CCC=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082210	0	37	-1.0	-65.22	322.65	2.58	-62.64
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005082211	0	32	-1.0	-50.87	297.65	-2.89	-53.76
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CO	REAL250005082212	0	31	-1.0	-53.92	279.01	-1.70	-55.62
CC(O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082213	0	34	-1.0	-64.93	295.38	-1.11	-66.04
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CCF	REAL250005082214	0	33	-1.0	-48.71	295.13	1.34	-47.37
C#CCCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082215	0	35	-1.0	-49.61	315.82	2.48	-47.13
CC1=CC1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082216	0	35	-1.0	-50.43	313.58	2.66	-47.77
C[C@@H](O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082217	0	34	-1.0	-71.08	294.86	-1.17	-72.25
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005082218	0	35	-1.0	-50.85	304.96	2.33	-48.52
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005082219	0	37	-1.0	-49.77	319.48	2.74	-47.03
COCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082220	0	34	-1.0	-52.13	301.26	0.59	-51.54
CCCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082221	0	36	-1.0	-49.59	310.03	1.96	-47.63
CC1CC1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082222	0	37	-1.0	-65.52	319.91	2.62	-62.90
CC(C)=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082223	0	37	-1.0	-64.18	317.45	2.51	-61.67
CC(C)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082224	0	36	-1.0	-49.43	303.17	1.58	-47.85
C=CCCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082225	0	37	-1.0	-49.43	322.85	2.53	-46.90
CC(C#N)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082226	0	34	-1.0	-72.73	304.39	1.29	-71.44
CC=C(C)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082227	0	37	-1.0	-66.44	313.30	2.11	-64.33
CCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082228	0	33	-1.0	-49.92	288.54	1.20	-48.72
CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082229	0	30	-1.0	-65.00	268.50	0.44	-64.56
CN(CCN(C)C(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005082230	0	34	-1.0	-49.81	298.52	1.96	-47.85
CN(CCN(C)C(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005082231	0	37	-1.0	-49.64	315.12	2.47	-47.17
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005082232	0	31	-1.0	-48.54	281.72	-3.42	-51.96
CN(CCN(C)C(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005082233	0	37	-1.0	-65.38	316.16	2.27	-63.11
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082234	0	37	-1.0	-65.40	320.65	2.62	-62.78
C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082235	0	37	-1.0	-65.52	319.12	2.64	-62.88
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CO	REAL250005082236	0	31	-1.0	-53.92	279.01	-1.70	-55.62
CCC=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082237	0	37	-1.0	-65.22	322.65	2.58	-62.64
C#CCCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082238	0	35	-1.0	-49.61	315.82	2.48	-47.13
CC(O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082239	0	34	-1.0	-64.93	295.38	-1.11	-66.04
CC(=O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082240	0	32	-1.0	-57.49	289.06	0.44	-57.05
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005082241	0	35	-1.0	-50.85	304.96	2.33	-48.52
CC=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082242	0	34	-1.0	-65.51	301.56	1.82	-63.69
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005082243	0	32	-1.0	-50.87	297.65	-2.89	-53.76
C[C@H](O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082244	0	34	-1.0	-49.99	294.51	-1.12	-51.11
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082245	0	37	-1.0	-65.40	320.65	2.62	-62.78
C=C(C)CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082246	0	37	-1.0	-49.47	322.80	2.38	-47.09
C=CCC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082247	0	34	-1.0	-49.76	301.45	1.74	-48.02
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005082248	0	31	-1.0	-56.54	288.00	0.87	-55.67
CN(CCN(C)C(=O)c1nsnc1[O-])C(=O)CCF	REAL250005082249	0	33	-1.0	-48.71	295.13	1.34	-47.37
C[C@@H](O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082250	0	34	-1.0	-71.08	294.86	-1.17	-72.25
C=C1CC1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082251	0	35	-1.0	-64.65	312.56	2.51	-62.14
CC1=CC1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082252	0	35	-1.0	-50.43	313.58	2.66	-47.77
C=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082253	0	31	-1.0	-65.28	279.83	0.94	-64.34
C[C@H](O)C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082254	0	34	-1.0	-49.99	294.51	-1.12	-51.11
C=C1CC1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082255	0	35	-1.0	-64.65	312.56	2.51	-62.14
C=C(C)CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082256	0	37	-1.0	-49.47	322.80	2.38	-47.09
CC=CC(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082257	0	34	-1.0	-65.51	301.56	1.82	-63.69
C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C(=O)c1nsnc1[O-]	REAL250005082258	0	37	-1.0	-65.40	320.65	2.62	-62.78
CCC(=O)NC1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005082259	0	37	-1.0	-52.97	319.33	-0.56	-53.53
CC(=O)NC1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005082260	0	34	-1.0	-53.17	298.74	-1.38	-54.55
CCC(=O)NCC1CCCC1NC(=O)c1nsnc1[O-]	REAL250005082261	0	37	-1.0	-56.55	319.26	-0.58	-57.13
CC(=O)NCC1CCCC1NC(=O)c1nsnc1[O-]	REAL250005082262	0	34	-1.0	-56.64	298.67	-1.39	-58.03
C=CC(=O)NCC1CCCC1NC(=O)c1nsnc1[O-]	REAL250005082263	0	35	-1.0	-56.59	311.11	-0.86	-57.45
CCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082264	0	31	-1.0	-51.98	287.08	-5.82	-57.80
CC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082265	0	28	-1.0	-52.25	266.80	-6.64	-58.89
O=C(NCC(O)CNC(=O)C1CC1)c1nsnc1[O-]	REAL250005082266	0	32	-1.0	-51.81	297.60	-5.03	-56.84
COCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082267	0	32	-1.0	-54.99	299.81	-6.46	-61.45
CCCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082268	0	34	-1.0	-51.80	308.58	-5.06	-56.86
CC(C)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082269	0	34	-1.0	-51.53	306.64	-5.15	-56.68
NC(=O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082270	0	29	-1.0	-50.82	282.43	-10.49	-61.31
C=CCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082271	0	32	-1.0	-52.11	300.00	-5.28	-57.39
O=C(CO)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082272	0	29	-1.0	-56.58	277.55	-8.74	-65.32
CC(O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082273	0	32	-1.0	-56.05	298.22	-7.98	-64.03
O=C(CCF)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082274	0	31	-1.0	-51.09	293.68	-5.68	-56.77
C#CCCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082275	0	33	-1.0	-51.91	314.36	-4.54	-56.45
CC1=CC1C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082276	0	33	-1.0	-52.52	312.62	-4.35	-56.87
C[C@@H](O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082277	0	32	-1.0	-56.05	298.23	-7.98	-64.03
O=C(NCC(O)CNC(=O)c1nsnc1[O-])C1=CCC1	REAL250005082278	0	33	-1.0	-52.63	308.09	-4.47	-57.10
COCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082279	0	32	-1.0	-54.99	299.81	-6.46	-61.45
CCCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082280	0	34	-1.0	-51.80	308.58	-5.06	-56.86
CC(C)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082281	0	34	-1.0	-51.53	306.64	-5.15	-56.68
CC(C#N)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082282	0	32	-1.0	-58.33	306.06	-5.53	-63.86
CCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082283	0	31	-1.0	-51.98	287.08	-5.82	-57.80
CC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082284	0	28	-1.0	-52.25	266.80	-6.64	-58.89
O=C(NCC(O)CNC(=O)C1CC1)c1nsnc1[O-]	REAL250005082285	0	32	-1.0	-51.81	297.60	-5.03	-56.84
NC(=O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082286	0	29	-1.0	-50.82	282.43	-10.49	-61.31
O=C(CO)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082287	0	29	-1.0	-56.58	277.55	-8.74	-65.32
C#CCCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082288	0	33	-1.0	-51.91	314.36	-4.54	-56.45
CC(O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082289	0	32	-1.0	-56.05	298.22	-7.98	-64.03
CC(=O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082290	0	30	-1.0	-49.89	288.83	-6.69	-56.58
O=C(NCC(O)CNC(=O)c1nsnc1[O-])C1=CCC1	REAL250005082291	0	33	-1.0	-52.63	308.09	-4.47	-57.10
CC=CC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082292	0	32	-1.0	-52.05	300.66	-5.21	-57.26
C[C@H](O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082293	0	32	-1.0	-52.59	297.88	-7.94	-60.53
C=CCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082294	0	32	-1.0	-52.11	300.00	-5.28	-57.39
N#CCC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082295	0	29	-1.0	-60.28	286.55	-6.15	-66.43
O=C(CCF)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082296	0	31	-1.0	-51.09	293.68	-5.68	-56.77
C[C@@H](O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082297	0	32	-1.0	-56.05	298.23	-7.98	-64.03
C=C1CC1C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082298	0	33	-1.0	-51.84	311.17	-4.48	-56.32
CC1=CC1C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082299	0	33	-1.0	-52.52	312.62	-4.35	-56.87
C=CC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082300	0	29	-1.0	-52.16	278.93	-6.10	-58.26
C[C@H](O)C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082301	0	32	-1.0	-52.59	297.88	-7.94	-60.53
C=C1CC1C(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082302	0	33	-1.0	-51.84	311.17	-4.48	-56.32
CC=CC(=O)NCC(O)CNC(=O)c1nsnc1[O-]	REAL250005082303	0	32	-1.0	-52.05	300.66	-5.21	-57.26
CCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082304	0	33	-1.0	-52.32	296.25	-1.57	-53.89
CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082305	0	30	-1.0	-52.64	275.96	-2.39	-55.03
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005082306	0	34	-1.0	-52.39	306.77	-0.80	-53.19
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005082307	0	37	-1.0	-52.10	322.97	-0.29	-52.39
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005082308	0	37	-1.0	-52.31	327.19	-0.03	-52.34
COCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082309	0	34	-1.0	-55.36	308.98	-2.20	-57.56
CCCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082310	0	36	-1.0	-52.09	317.75	-0.81	-52.90
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005082311	0	37	-1.0	-52.34	328.15	-0.13	-52.47
CC(C)=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082312	0	37	-1.0	-51.91	325.72	-0.26	-52.17
CC(C)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082313	0	36	-1.0	-52.05	315.81	-0.91	-52.96
C=CCCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082314	0	37	-1.0	-51.83	330.56	-0.24	-52.07
CC=C(C)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082315	0	37	-1.0	-52.83	324.56	-0.27	-53.10
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005082316	0	37	-1.0	-52.41	324.52	-0.20	-52.61
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082317	0	37	-1.0	-52.40	328.14	-0.13	-52.53
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005082318	0	37	-1.0	-52.35	328.15	-0.13	-52.48
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005082319	0	31	-1.0	-52.63	291.60	-6.23	-58.86
C=CCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082320	0	34	-1.0	-52.26	309.17	-1.03	-53.29
CCC=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082321	0	37	-1.0	-52.42	330.91	-0.19	-52.61
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005082322	0	32	-1.0	-54.44	305.37	-5.61	-60.05
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005082323	0	31	-1.0	-56.83	286.72	-4.49	-61.32
CC(O)C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082324	0	34	-1.0	-56.37	307.39	-3.73	-60.10
CC(CCNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005082325	0	33	-1.0	-51.50	302.84	-1.43	-52.93
C#CCCC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082326	0	35	-1.0	-52.36	323.53	-0.29	-52.65
CC1=CC1C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082327	0	35	-1.0	-53.00	321.82	-0.10	-53.10
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H](C)O	REAL250005082328	0	34	-1.0	-56.52	307.39	-3.73	-60.25
CC(CCNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005082329	0	35	-1.0	-53.46	317.25	-0.23	-53.69
CC(CCNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082330	0	37	-1.0	-57.77	327.19	-0.04	-57.81
COCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082331	0	34	-1.0	-60.91	308.97	-2.21	-63.12
CCCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082332	0	36	-1.0	-57.41	317.75	-0.81	-58.22
CC(CCNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005082333	0	37	-1.0	-57.35	328.15	-0.14	-57.49
CC(C)=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082334	0	37	-1.0	-56.59	325.73	-0.27	-56.86
CC(C)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082335	0	36	-1.0	-57.14	315.80	-0.91	-58.05
C=CCCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082336	0	37	-1.0	-57.12	330.56	-0.25	-57.37
CC(CCNC(=O)C(C)C#N)NC(=O)c1nsnc1[O-]	REAL250005082337	0	34	-1.0	-64.73	315.23	-1.28	-66.01
CC=C(C)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082338	0	37	-1.0	-57.84	324.56	-0.30	-58.14
CCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082339	0	33	-1.0	-57.53	296.25	-1.58	-59.11
CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082340	0	30	-1.0	-57.63	275.66	-2.38	-60.01
CC(CCNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005082341	0	34	-1.0	-57.36	306.77	-0.81	-58.17
CC(CCNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082342	0	37	-1.0	-57.28	322.96	-0.31	-57.59
CC(CCNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005082343	0	31	-1.0	-53.08	291.60	-6.25	-59.33
CC(CCNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005082344	0	37	-1.0	-57.25	324.52	-0.21	-57.46
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082345	0	37	-1.0	-57.36	328.14	-0.14	-57.50
CC(CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082346	0	37	-1.0	-57.38	328.15	-0.14	-57.52
CC(CCNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005082347	0	31	-1.0	-62.66	286.72	-4.50	-67.16
CCC=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082348	0	37	-1.0	-57.38	330.91	-0.21	-57.59
C#CCCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082349	0	35	-1.0	-56.98	323.53	-0.30	-57.28
CC(O)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082350	0	34	-1.0	-58.03	307.05	-3.71	-61.74
CC(=O)C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082351	0	32	-1.0	-52.82	298.00	-2.46	-55.28
CC(CCNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005082352	0	35	-1.0	-58.20	317.25	-0.23	-58.43
CC=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082353	0	34	-1.0	-57.55	309.82	-0.97	-58.52
CC(CCNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005082354	0	32	-1.0	-59.81	305.35	-5.63	-65.44
CC(CCNC(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005082355	0	34	-1.0	-62.29	306.59	-3.68	-65.97
CC(CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082356	0	37	-1.0	-57.36	328.14	-0.14	-57.50
C=C(C)CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082357	0	37	-1.0	-57.26	330.77	-0.38	-57.64
C=CCC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082358	0	34	-1.0	-57.53	309.16	-1.04	-58.57
CC(CCNC(=O)CC#N)NC(=O)c1nsnc1[O-]	REAL250005082359	0	31	-1.0	-66.71	295.71	-1.91	-68.62
CC(CCNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005082360	0	33	-1.0	-55.87	302.84	-1.44	-57.31
CC(CCNC(=O)[C@@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005082361	0	34	-1.0	-57.93	307.05	-3.71	-61.64
C=C1CC1C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082362	0	35	-1.0	-57.14	320.35	-0.24	-57.38
CC1=CC1C(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082363	0	35	-1.0	-57.74	321.78	-0.10	-57.84
C=CC(=O)NCCC(C)NC(=O)c1nsnc1[O-]	REAL250005082364	0	31	-1.0	-57.65	288.10	-1.86	-59.51
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005082365	0	34	-1.0	-53.70	307.05	-3.71	-57.41
C=C1CC1C(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082366	0	35	-1.0	-52.59	320.34	-0.23	-52.82
C=C(C)CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082367	0	37	-1.0	-52.29	330.78	-0.37	-52.66
CC=CC(=O)NC(C)CCNC(=O)c1nsnc1[O-]	REAL250005082368	0	34	-1.0	-52.73	309.82	-0.95	-53.68
CC(CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082369	0	37	-1.0	-52.40	328.14	-0.13	-52.53
CCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082370	0	33	-1.0	-54.67	289.02	-0.41	-55.08
CCN(CCNC(=O)c1nsnc1[O-])C(C)=O	REAL250005082371	0	30	-1.0	-50.94	268.51	-1.27	-52.21
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005082372	0	34	-1.0	-53.80	303.82	0.45	-53.35
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CCC1	REAL250005082373	0	37	-1.0	-53.86	318.17	0.90	-52.96
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005082374	0	37	-1.0	-54.95	319.96	1.13	-53.82
CCN(CCNC(=O)c1nsnc1[O-])C(=O)COC	REAL250005082375	0	34	-1.0	-57.86	301.75	-1.03	-58.89
CCCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082376	0	36	-1.0	-54.56	310.52	0.35	-54.21
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1CC1C	REAL250005082377	0	37	-1.0	-53.82	325.19	1.13	-52.69
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C=C(C)C	REAL250005082378	0	37	-1.0	-54.10	319.48	0.94	-53.16
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)C	REAL250005082379	0	36	-1.0	-54.82	305.84	0.02	-54.80
C=CCCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082380	0	37	-1.0	-54.56	323.34	0.91	-53.65
CC=C(C)C(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082381	0	37	-1.0	-55.02	320.98	0.64	-54.38
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1(C)CC1	REAL250005082382	0	37	-1.0	-54.32	317.22	0.68	-53.64
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1C[C@H]1C	REAL250005082383	0	37	-1.0	-53.86	326.00	1.18	-52.68
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H]1C[C@@H]1C	REAL250005082384	0	37	-1.0	-53.85	326.00	1.18	-52.67
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005082385	0	31	-1.0	-51.54	282.13	-4.97	-56.51
C=CCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082386	0	34	-1.0	-54.86	301.94	0.13	-54.73
CCC=CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082387	0	37	-1.0	-54.80	324.71	1.01	-53.79
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005082388	0	32	-1.0	-56.12	298.14	-4.50	-60.62
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005082389	0	31	-1.0	-59.52	279.50	-3.31	-62.83
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C(C)O	REAL250005082390	0	34	-1.0	-53.05	296.19	-2.76	-55.81
CCN(CCNC(=O)c1nsnc1[O-])C(=O)CCF	REAL250005082391	0	33	-1.0	-53.12	295.62	-0.27	-53.39
C#CCCC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082392	0	35	-1.0	-54.27	316.31	0.87	-53.40
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1C=C1C	REAL250005082393	0	35	-1.0	-54.47	319.66	1.22	-53.25
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H](C)O	REAL250005082394	0	34	-1.0	-52.95	299.92	-2.62	-55.57
CCN(CCNC(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005082395	0	35	-1.0	-55.28	307.85	0.79	-54.49
CCN(CCNC(=O)CC1CC1)C(=O)c1nsnc1[O-]	REAL250005082396	0	37	-1.0	-57.82	316.84	1.61	-56.21
CCN(CCNC(=O)COC)C(=O)c1nsnc1[O-]	REAL250005082397	0	34	-1.0	-60.05	301.46	-0.37	-60.42
CCCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082398	0	36	-1.0	-56.83	310.24	1.03	-55.80
CCN(CCNC(=O)C1CC1C)C(=O)c1nsnc1[O-]	REAL250005082399	0	37	-1.0	-56.79	320.64	1.69	-55.10
CCN(CCNC(=O)C=C(C)C)C(=O)c1nsnc1[O-]	REAL250005082400	0	37	-1.0	-56.25	318.37	1.58	-54.67
CCN(CCNC(=O)C(C)C)C(=O)c1nsnc1[O-]	REAL250005082401	0	36	-1.0	-56.74	308.29	0.94	-55.80
C=CCCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082402	0	37	-1.0	-56.37	323.05	1.59	-54.78
CCN(CCNC(=O)C(C)C#N)C(=O)c1nsnc1[O-]	REAL250005082403	0	34	-1.0	-62.79	307.72	0.56	-62.23
CC=C(C)C(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082404	0	37	-1.0	-57.24	317.06	1.54	-55.70
CCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082405	0	33	-1.0	-57.02	288.74	0.26	-56.76
CCN(CCNC(C)=O)C(=O)c1nsnc1[O-]	REAL250005082406	0	30	-1.0	-57.25	268.43	-0.55	-57.80
CCN(CCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005082407	0	34	-1.0	-57.51	296.42	0.84	-56.67
CCN(CCNC(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005082408	0	37	-1.0	-57.02	315.46	1.51	-55.51
CCN(CCNC(=O)C(N)=O)C(=O)c1nsnc1[O-]	REAL250005082409	0	31	-1.0	-53.65	284.09	-4.41	-58.06
CCN(CCNC(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005082410	0	37	-1.0	-57.32	314.17	1.44	-55.88
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1nsnc1[O-]	REAL250005082411	0	37	-1.0	-56.82	320.67	1.70	-55.12
CCN(CCNC(=O)[C@H]1C[C@@H]1C)C(=O)c1nsnc1[O-]	REAL250005082412	0	37	-1.0	-56.77	320.65	1.69	-55.08
CCN(CCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005082413	0	31	-1.0	-61.77	279.21	-2.66	-64.43
CCC=CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082414	0	37	-1.0	-56.83	323.40	1.63	-55.20
C#CCCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082415	0	35	-1.0	-56.43	316.02	1.55	-54.88
CCN(CCNC(=O)C(C)O)C(=O)c1nsnc1[O-]	REAL250005082416	0	34	-1.0	-57.80	299.54	-1.87	-59.67
CCN(CCNC(=O)C(C)=O)C(=O)c1nsnc1[O-]	REAL250005082417	0	32	-1.0	-53.09	291.48	-0.59	-53.68
CCN(CCNC(=O)C1=CCC1)C(=O)c1nsnc1[O-]	REAL250005082418	0	35	-1.0	-57.79	309.74	1.60	-56.19
CC=CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082419	0	34	-1.0	-57.12	302.32	0.87	-56.25
CCN(CCNC(=O)CN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005082420	0	32	-1.0	-58.93	297.84	-3.79	-62.72
CCN(CCNC(=O)[C@H](C)O)C(=O)c1nsnc1[O-]	REAL250005082421	0	34	-1.0	-56.62	299.54	-1.87	-58.49
CCN(CCNC(=O)[C@@H]1C[C@H]1C)C(=O)c1nsnc1[O-]	REAL250005082422	0	37	-1.0	-56.82	320.67	1.70	-55.12
C=C(C)CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082423	0	37	-1.0	-56.75	323.26	1.46	-55.29
C=CCC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082424	0	34	-1.0	-56.90	301.65	0.80	-56.10
CCN(CCNC(=O)CC#N)C(=O)c1nsnc1[O-]	REAL250005082425	0	31	-1.0	-64.89	288.20	-0.07	-64.96
CCN(CCNC(=O)CCF)C(=O)c1nsnc1[O-]	REAL250005082426	0	33	-1.0	-55.37	295.33	0.40	-54.97
CCN(CCNC(=O)[C@@H](C)O)C(=O)c1nsnc1[O-]	REAL250005082427	0	34	-1.0	-57.80	299.54	-1.87	-59.67
C=C1CC1C(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082428	0	35	-1.0	-56.60	312.83	1.60	-55.00
CCN(CCNC(=O)C1C=C1C)C(=O)c1nsnc1[O-]	REAL250005082429	0	35	-1.0	-57.74	314.31	1.72	-56.02
C=CC(=O)NCCN(CC)C(=O)c1nsnc1[O-]	REAL250005082430	0	31	-1.0	-57.25	280.59	-0.01	-57.26
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@H](C)O	REAL250005082431	0	34	-1.0	-53.40	300.63	-2.62	-56.02
C=C1CC1C(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082432	0	35	-1.0	-54.61	313.29	0.93	-53.68
C=C(C)CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082433	0	37	-1.0	-54.33	323.55	0.78	-53.55
CC=CC(=O)N(CC)CCNC(=O)c1nsnc1[O-]	REAL250005082434	0	34	-1.0	-54.91	303.62	0.25	-54.66
CCN(CCNC(=O)c1nsnc1[O-])C(=O)[C@@H]1C[C@H]1C	REAL250005082435	0	37	-1.0	-53.86	326.00	1.18	-52.68
CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082436	0	30	-1.0	-48.03	274.80	-2.25	-50.28
COCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082437	0	34	-1.0	-48.03	308.48	-3.18	-51.21
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005082438	0	31	-1.0	-47.93	285.33	-1.48	-49.41
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005082439	0	34	-1.0	-47.63	301.54	-0.97	-48.60
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCCC1	REAL250005082440	0	37	-1.0	-47.47	318.60	-0.36	-47.83
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005082441	0	34	-1.0	-48.05	305.75	-0.71	-48.76
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)F	REAL250005082442	0	33	-1.0	-47.92	300.46	-1.52	-49.44
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(F)F	REAL250005082443	0	30	-1.0	-46.54	286.67	-2.06	-48.60
COCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082444	0	31	-1.0	-50.59	287.53	-2.88	-53.47
CCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082445	0	33	-1.0	-47.83	296.30	-1.48	-49.31
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccco1	REAL250005082446	0	31	-1.0	-49.17	294.42	-1.93	-51.10
CC(C)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082447	0	36	-1.0	-47.45	313.03	-0.89	-48.34
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005082448	0	34	-1.0	-47.87	306.70	-0.81	-48.68
CCOCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082449	0	34	-1.0	-50.57	309.38	-1.92	-52.49
CC(C)=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082450	0	34	-1.0	-47.66	304.49	-0.93	-48.59
CSCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082451	0	31	-1.0	-49.73	297.87	-1.82	-51.55
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccc[nH]1	REAL250005082452	0	32	-1.0	-49.68	297.31	-2.14	-51.82
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccoc1	REAL250005082453	0	31	-1.0	-50.46	293.59	-1.96	-52.42
CCCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082454	0	36	-1.0	-47.91	317.80	-0.70	-48.61
CC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082455	0	33	-1.0	-47.67	294.34	-1.58	-49.25
CCC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082456	0	36	-1.0	-47.56	312.48	-0.93	-48.49
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cc[nH]n1	REAL250005082457	0	31	-1.0	-51.78	293.01	-3.48	-55.26
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cn[nH]c1	REAL250005082458	0	31	-1.0	-50.31	292.30	-3.50	-53.81
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccon1	REAL250005082459	0	30	-1.0	-50.88	288.90	-2.69	-53.57
CCC=C(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082460	0	37	-1.0	-48.02	323.50	-0.16	-48.18
COC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082461	0	34	-1.0	-50.07	307.31	-2.17	-52.24
C=CCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082462	0	34	-1.0	-47.87	309.12	-0.92	-48.79
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cocn1	REAL250005082463	0	30	-1.0	-50.55	289.21	-5.34	-55.89
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCC1CC1	REAL250005082464	0	37	-1.0	-47.80	327.92	0.08	-47.72
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC=CC1	REAL250005082465	0	35	-1.0	-47.57	310.35	-0.48	-48.05
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CCC1	REAL250005082466	0	37	-1.0	-47.87	322.71	-0.19	-48.06
CC(C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-])C1CC1	REAL250005082467	0	37	-1.0	-47.30	324.29	-0.08	-47.38
CC=C(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082468	0	34	-1.0	-48.19	303.12	-0.94	-49.13
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(C)C1	REAL250005082469	0	37	-1.0	-47.58	322.46	-0.32	-47.90
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=C1CCC1	REAL250005082470	0	35	-1.0	-48.46	313.97	-0.24	-48.70
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCC1	REAL250005082471	0	35	-1.0	-47.99	311.43	-0.37	-48.36
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1(C)C	REAL250005082472	0	37	-1.0	-47.31	321.92	-0.26	-47.57
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC1(C)C	REAL250005082473	0	37	-1.0	-47.29	321.91	-0.26	-47.55
C#CCCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082474	0	35	-1.0	-50.23	323.58	-0.18	-50.41
CCC(C)=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082475	0	37	-1.0	-47.38	325.96	-0.17	-47.55
CC(C)C#CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082476	0	35	-1.0	-48.94	324.20	-0.20	-49.14
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C#CC1CC1	REAL250005082477	0	33	-1.0	-49.21	313.87	-0.03	-49.24
C=C(C)CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082478	0	37	-1.0	-47.68	330.73	-0.26	-47.94
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005082479	0	34	-1.0	-47.69	303.09	-0.87	-48.56
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1c[nH]nn1	REAL250005082480	0	30	-1.0	-51.97	288.25	-4.93	-56.90
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1(C)CC1	REAL250005082481	0	37	-1.0	-47.60	325.74	-0.20	-47.80
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnco1	REAL250005082482	0	30	-1.0	-49.43	289.21	-5.22	-54.65
C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082483	0	37	-1.0	-47.73	322.00	-0.62	-48.35
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082484	0	34	-1.0	-47.85	306.71	-0.81	-48.66
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CCC1	REAL250005082485	0	37	-1.0	-47.57	318.73	-0.45	-48.02
CCC(F)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082486	0	33	-1.0	-47.71	302.58	-1.44	-49.15
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCCF	REAL250005082487	0	33	-1.0	-49.96	302.89	-1.34	-51.30
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005082488	0	34	-1.0	-47.85	306.70	-0.81	-48.66
C=CCCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082489	0	37	-1.0	-48.17	330.61	-0.14	-48.31
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005082490	0	28	-1.0	-48.86	270.15	-6.90	-55.76
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1C	REAL250005082491	0	37	-1.0	-48.04	327.12	-0.03	-48.07
CCC1(C(=O)N[C@H](C)CNC(=O)c2nsnc2[O-])CC1	REAL250005082492	0	37	-1.0	-47.93	328.08	-0.30	-48.23
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)C	REAL250005082493	0	36	-1.0	-47.45	313.24	-1.01	-48.46
CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082494	0	37	-1.0	-47.80	328.12	-0.04	-47.84
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC12CC2	REAL250005082495	0	35	-1.0	-48.12	317.77	-0.01	-48.13
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1CC(=O)N1	REAL250005082496	0	32	-1.0	-54.13	299.27	-5.89	-60.02
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC(=O)N1	REAL250005082497	0	32	-1.0	-54.19	299.27	-5.89	-60.08
C=CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082498	0	31	-1.0	-48.19	287.72	-1.71	-49.90
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CN(C)C	REAL250005082499	0	35	-1.0	-48.30	308.31	-3.91	-52.21
C=CC(O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082500	0	32	-1.0	-48.32	298.81	-3.84	-52.16
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1COC1	REAL250005082501	0	32	-1.0	-50.53	292.08	-3.74	-54.27
CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082502	0	34	-1.0	-50.21	307.31	-2.18	-52.39
CCC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082503	0	34	-1.0	-48.07	309.47	-0.86	-48.93
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005082504	0	29	-1.0	-49.60	283.92	-6.29	-55.89
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005082505	0	28	-1.0	-52.13	265.27	-5.16	-57.29
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CC(N)=O	REAL250005082506	0	32	-1.0	-51.67	304.76	-5.60	-57.27
CC(O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082507	0	31	-1.0	-51.48	285.94	-4.40	-55.88
C=CCC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082508	0	37	-1.0	-47.43	326.98	-0.34	-47.77
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1F	REAL250005082509	0	31	-1.0	-47.72	292.11	-1.38	-49.10
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005082510	0	30	-1.0	-47.39	281.40	-2.11	-49.50
CC(C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-])=C1CC1	REAL250005082511	0	35	-1.0	-48.62	317.58	0.01	-48.61
CCC1CC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082512	0	37	-1.0	-47.83	328.10	-0.04	-47.87
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CCF	REAL250005082513	0	31	-1.0	-49.76	294.56	-1.50	-51.26
C#CCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082514	0	32	-1.0	-48.30	302.09	-0.97	-49.27
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CN1CCC1	REAL250005082515	0	36	-1.0	-49.35	316.17	-4.32	-53.67
C#C[C@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082516	0	33	-1.0	-50.30	308.19	-0.31	-50.61
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1C2CCC21	REAL250005082517	0	35	-1.0	-47.96	308.06	-0.14	-48.10
C=C1CCC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082518	0	35	-1.0	-48.04	315.05	-0.47	-48.51
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1[C@H](C)[C@@H]1C	REAL250005082519	0	37	-1.0	-47.73	325.39	-0.18	-47.91
CC=CC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082520	0	35	-1.0	-48.31	323.54	-0.21	-48.52
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCO1	REAL250005082521	0	32	-1.0	-51.46	293.28	-2.63	-54.09
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCN=[N+]=[N-]	REAL250005082522	0	32	-1.0	-47.37	304.94	-5.63	-53.00
C#CCOCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082523	0	33	-1.0	-53.05	315.17	-1.39	-54.44
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)O	REAL250005082524	0	34	-1.0	-47.62	305.28	-4.82	-52.44
CC1=CC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082525	0	32	-1.0	-48.76	300.34	-0.76	-49.52
C=C1CC(C(=O)N[C@H](C)CNC(=O)c2nsnc2[O-])C1	REAL250005082526	0	35	-1.0	-48.46	314.67	-0.48	-48.94
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnc[nH]1	REAL250005082527	0	31	-1.0	-50.66	292.13	-2.40	-53.06
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCO1	REAL250005082528	0	33	-1.0	-48.60	302.90	-2.35	-50.95
C[C@@H](O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082529	0	31	-1.0	-48.16	285.60	-4.38	-52.54
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CCO	REAL250005082530	0	32	-1.0	-51.12	299.48	-4.98	-56.10
COC(F)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082531	0	31	-1.0	-50.04	293.43	-3.40	-53.44
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C12CC1CC2	REAL250005082532	0	35	-1.0	-47.86	313.74	-0.27	-48.13
C=C[C@H](C)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082533	0	37	-1.0	-47.45	325.82	-0.36	-47.81
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CC1CC1	REAL250005082534	0	35	-1.0	-48.05	320.36	-0.04	-48.09
CC=C(CC)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082535	0	37	-1.0	-47.89	324.16	-0.23	-48.12
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005082536	0	32	-1.0	-48.62	295.28	-0.96	-49.58
CON=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082537	0	31	-1.0	-49.96	297.27	-3.66	-53.62
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(F)CC1	REAL250005082538	0	31	-1.0	-47.71	291.70	-1.42	-49.13
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=NOCC1	REAL250005082539	0	32	-1.0	-48.71	298.90	-3.37	-52.08
C#CC(C)(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082540	0	35	-1.0	-49.41	319.07	-0.57	-49.98
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ncc[nH]1	REAL250005082541	0	31	-1.0	-51.00	293.25	-3.20	-54.20
CCCC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082542	0	37	-1.0	-47.98	330.96	-0.08	-48.06
CC=C(F)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082543	0	31	-1.0	-47.01	293.35	-1.55	-48.56
C[C@H](CNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082544	0	34	-1.0	-46.94	305.74	-0.70	-47.64
C[C@H](CNC(=O)C(C)(C)F)NC(=O)c1nsnc1[O-]	REAL250005082545	0	33	-1.0	-46.92	300.48	-1.54	-48.46
C[C@H](CNC(=O)C(C)(F)F)NC(=O)c1nsnc1[O-]	REAL250005082546	0	30	-1.0	-46.74	286.66	-2.05	-48.79
COCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082547	0	31	-1.0	-49.29	287.53	-2.87	-52.16
CCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082548	0	33	-1.0	-46.85	296.30	-1.48	-48.33
C[C@H](CNC(=O)c1ccco1)NC(=O)c1nsnc1[O-]	REAL250005082549	0	31	-1.0	-49.04	294.42	-1.93	-50.97
CC(C)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082550	0	36	-1.0	-46.53	313.03	-0.88	-47.41
C[C@H](CNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005082551	0	34	-1.0	-47.01	306.70	-0.79	-47.80
CCOCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082552	0	34	-1.0	-49.27	309.38	-1.91	-51.18
CC(C)=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082553	0	34	-1.0	-47.07	304.49	-0.93	-48.00
CSCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082554	0	31	-1.0	-48.49	297.87	-1.82	-50.31
C[C@H](CNC(=O)c1ccc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005082555	0	32	-1.0	-48.21	297.31	-2.15	-50.36
C[C@H](CNC(=O)c1ccoc1)NC(=O)c1nsnc1[O-]	REAL250005082556	0	31	-1.0	-49.14	293.58	-1.97	-51.11
CCCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082557	0	36	-1.0	-46.86	317.80	-0.70	-47.56
CC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082558	0	33	-1.0	-46.69	294.35	-1.58	-48.27
CCC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082559	0	36	-1.0	-46.57	312.48	-0.94	-47.51
C[C@H](CNC(=O)c1cc[nH]n1)NC(=O)c1nsnc1[O-]	REAL250005082560	0	31	-1.0	-52.12	293.01	-3.49	-55.61
C[C@H](CNC(=O)c1cn[nH]c1)NC(=O)c1nsnc1[O-]	REAL250005082561	0	31	-1.0	-50.05	292.30	-3.51	-53.56
C[C@H](CNC(=O)c1ccon1)NC(=O)c1nsnc1[O-]	REAL250005082562	0	30	-1.0	-51.72	288.90	-2.70	-54.42
CCC=C(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082563	0	37	-1.0	-47.20	323.50	-0.19	-47.39
COC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082564	0	34	-1.0	-48.79	307.31	-2.18	-50.97
C=CCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082565	0	34	-1.0	-46.83	309.12	-0.91	-47.74
C[C@H](CNC(=O)c1cocn1)NC(=O)c1nsnc1[O-]	REAL250005082566	0	30	-1.0	-51.19	289.21	-5.34	-56.53
CC(C#N)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082567	0	31	-1.0	-50.71	293.78	-1.96	-52.67
C[C@H](CNC(=O)CCC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082568	0	37	-1.0	-46.85	327.92	0.09	-46.76
C[C@H](CNC(=O)C1CC=CC1)NC(=O)c1nsnc1[O-]	REAL250005082569	0	35	-1.0	-46.92	310.30	-0.46	-47.38
C[C@H](CNC(=O)CC1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082570	0	37	-1.0	-46.83	322.71	-0.18	-47.01
CC(C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-])C1CC1	REAL250005082571	0	37	-1.0	-46.33	324.30	-0.10	-46.43
CC=C(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082572	0	34	-1.0	-47.38	303.12	-0.97	-48.35
C[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1nsnc1[O-]	REAL250005082573	0	37	-1.0	-46.50	321.27	-0.37	-46.87
C[C@H](CNC(=O)C=C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082574	0	35	-1.0	-47.79	313.97	-0.25	-48.04
C[C@H](CNC(=O)C1=CCCC1)NC(=O)c1nsnc1[O-]	REAL250005082575	0	35	-1.0	-47.45	311.40	-0.38	-47.83
C[C@H](CNC(=O)C1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005082576	0	37	-1.0	-46.60	321.92	-0.25	-46.85
C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005082577	0	37	-1.0	-46.62	321.94	-0.24	-46.86
C#CCCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082578	0	35	-1.0	-48.99	323.58	-0.18	-49.17
CCC(C)=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082579	0	37	-1.0	-46.82	325.96	-0.18	-47.00
CC(C)C#CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082580	0	35	-1.0	-48.64	324.20	-0.22	-48.86
C[C@H](CNC(=O)C#CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082581	0	33	-1.0	-49.07	313.87	-0.05	-49.12
CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082582	0	30	-1.0	-47.04	274.80	-2.23	-49.27
COCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082583	0	34	-1.0	-47.32	308.48	-3.16	-50.48
C[C@H](CNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005082584	0	31	-1.0	-47.12	285.33	-1.48	-48.60
C[C@H](CNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082585	0	34	-1.0	-46.74	301.52	-0.96	-47.70
C[C@H](CNC(=O)C1CCCC1)NC(=O)c1nsnc1[O-]	REAL250005082586	0	37	-1.0	-46.45	317.84	-0.37	-46.82
C=CCCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082587	0	37	-1.0	-47.06	330.61	-0.14	-47.20
C[C@H](CNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005082588	0	28	-1.0	-50.07	270.15	-6.92	-56.99
C[C@H](CNC(=O)CC1CC1C)NC(=O)c1nsnc1[O-]	REAL250005082589	0	37	-1.0	-46.75	325.08	-0.06	-46.81
CCC1(C(=O)NC[C@@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005082590	0	37	-1.0	-46.87	327.97	-0.26	-47.13
C[C@H](CNC(=O)C(C)(C)C)NC(=O)c1nsnc1[O-]	REAL250005082591	0	36	-1.0	-46.49	313.24	-1.02	-47.51
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082592	0	37	-1.0	-46.64	330.47	-0.25	-46.89
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082593	0	37	-1.0	-46.90	328.10	-0.04	-46.94
C[C@H](CNC(=O)C1CC12CC2)NC(=O)c1nsnc1[O-]	REAL250005082594	0	35	-1.0	-47.42	317.77	0.00	-47.42
C[C@H](CNC(=O)CC1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005082595	0	37	-1.0	-46.66	326.01	-0.23	-46.89
C[C@H](CNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005082596	0	34	-1.0	-46.92	303.08	-0.88	-47.80
C[C@H](CNC(=O)c1cc[nH]c1)NC(=O)c1nsnc1[O-]	REAL250005082597	0	32	-1.0	-50.66	297.44	-2.08	-52.74
C[C@H](CNC(=O)c1cnco1)NC(=O)c1nsnc1[O-]	REAL250005082598	0	30	-1.0	-49.09	289.21	-5.23	-54.32
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082599	0	37	-1.0	-46.63	322.00	-0.62	-47.25
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082600	0	34	-1.0	-47.02	306.71	-0.80	-47.82
C[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1nsnc1[O-]	REAL250005082601	0	37	-1.0	-46.64	318.55	-0.44	-47.08
CCC(F)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082602	0	33	-1.0	-47.21	302.58	-1.43	-48.64
C[C@H](CNC(=O)CCCF)NC(=O)c1nsnc1[O-]	REAL250005082603	0	33	-1.0	-48.59	302.89	-1.33	-49.92
C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082604	0	34	-1.0	-47.00	306.69	-0.79	-47.79
C[C@H](CNC(=O)c1c[nH]nn1)NC(=O)c1nsnc1[O-]	REAL250005082605	0	30	-1.0	-53.37	288.26	-4.94	-58.31
C[C@H](CNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005082606	0	28	-1.0	-50.75	265.27	-5.15	-55.90
C[C@H](CNC(=O)C=CC(N)=O)NC(=O)c1nsnc1[O-]	REAL250005082607	0	32	-1.0	-51.97	304.77	-5.60	-57.57
C[C@H](CNC(=O)C1CCO1)NC(=O)c1nsnc1[O-]	REAL250005082608	0	32	-1.0	-48.81	293.40	-2.73	-51.54
C[C@H](CNC(=O)C1=CCCO1)NC(=O)c1nsnc1[O-]	REAL250005082609	0	33	-1.0	-48.87	302.90	-2.36	-51.23
C[C@H](CNC(=O)C1COC1)NC(=O)c1nsnc1[O-]	REAL250005082610	0	32	-1.0	-48.97	292.05	-3.73	-52.70
C[C@H](CNC(=O)C=CCO)NC(=O)c1nsnc1[O-]	REAL250005082611	0	32	-1.0	-49.81	299.48	-5.00	-54.81
CCC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082612	0	34	-1.0	-47.34	309.47	-0.88	-48.22
C[C@H](CNC(=O)CCN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005082613	0	32	-1.0	-46.48	304.93	-5.63	-52.11
C#CCOCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082614	0	33	-1.0	-51.66	315.17	-1.38	-53.04
C#CCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082615	0	32	-1.0	-47.50	302.09	-0.95	-48.45
CC=CC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082616	0	35	-1.0	-47.67	323.55	-0.20	-47.87
C#CCC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082617	0	35	-1.0	-46.95	319.95	-0.39	-47.34
C=CC(O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082618	0	32	-1.0	-47.15	296.16	-3.64	-50.79
C[C@H](CNC(=O)C12CC1CC2)NC(=O)c1nsnc1[O-]	REAL250005082619	0	35	-1.0	-47.37	313.76	-0.27	-47.64
C=C[C@H](C)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082620	0	37	-1.0	-46.43	325.81	-0.36	-46.79
C[C@H](CNC(=O)C=CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082621	0	35	-1.0	-47.24	320.35	-0.06	-47.30
CCC(C#N)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082622	0	34	-1.0	-50.01	314.41	-1.31	-51.32
C[C@H](CNC(=O)C1C2CCC21)NC(=O)c1nsnc1[O-]	REAL250005082623	0	35	-1.0	-47.26	312.69	-0.11	-47.37
C=C1CCC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082624	0	35	-1.0	-47.20	315.09	-0.47	-47.67
C[C@H](CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082625	0	37	-1.0	-46.23	315.49	-0.30	-46.53
CC(O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082626	0	31	-1.0	-50.04	285.94	-4.40	-54.44
CC(=O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082627	0	29	-1.0	-48.57	276.55	-3.11	-51.68
C[C@H](CNC(=O)CCCC#N)NC(=O)c1nsnc1[O-]	REAL250005082628	0	34	-1.0	-53.25	317.16	-0.95	-54.20
C[C@H](CNC(=O)C1(C#N)CC1)NC(=O)c1nsnc1[O-]	REAL250005082629	0	32	-1.0	-51.18	304.59	-1.23	-52.41
C=C1CC(C(=O)NC[C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005082630	0	35	-1.0	-46.59	315.05	-0.44	-47.03
C[C@H](CNC(=O)C1(F)CC1)NC(=O)c1nsnc1[O-]	REAL250005082631	0	31	-1.0	-47.49	291.52	-1.43	-48.92
CC(CC#N)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082632	0	34	-1.0	-48.87	313.53	-1.22	-50.09
CCC1CC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082633	0	37	-1.0	-46.63	322.63	-0.01	-46.64
CCCC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082634	0	37	-1.0	-47.16	330.97	-0.10	-47.26
CC=C(F)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082635	0	31	-1.0	-47.44	293.35	-1.57	-49.01
CC(=O)C=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082636	0	33	-1.0	-50.28	311.76	-1.74	-52.02
C[C@H](CNC(=O)c1ncc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005082637	0	31	-1.0	-52.07	293.25	-3.20	-55.27
CC(CO)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082638	0	34	-1.0	-47.44	304.94	-4.87	-52.31
C[C@H](CNC(=O)c1cnoc1)NC(=O)c1nsnc1[O-]	REAL250005082639	0	30	-1.0	-47.89	288.28	-2.49	-50.38
C[C@H](CNC(=O)C(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005082640	0	33	-1.0	-48.48	308.14	-1.50	-49.98
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C#N)NC(=O)c1nsnc1[O-]	REAL250005082641	0	32	-1.0	-54.50	302.30	-1.17	-55.67
C[C@H](CNC(=O)C1=COCC1)NC(=O)c1nsnc1[O-]	REAL250005082642	0	33	-1.0	-47.60	301.50	-2.40	-50.00
C[C@H](CNC(=O)C1(O)CC1)NC(=O)c1nsnc1[O-]	REAL250005082643	0	32	-1.0	-46.82	293.64	-4.55	-51.37
C[C@H](CNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005082644	0	32	-1.0	-47.93	295.28	-0.97	-48.90
CC(CF)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082645	0	33	-1.0	-46.03	300.33	-1.45	-47.48
CC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082646	0	31	-1.0	-47.49	288.38	-1.64	-49.13
C[C@H](CNC(=O)C=CCF)NC(=O)c1nsnc1[O-]	REAL250005082647	0	31	-1.0	-48.45	294.56	-1.52	-49.97
C[C@H](CNC(=O)c1ccno1)NC(=O)c1nsnc1[O-]	REAL250005082648	0	30	-1.0	-49.18	288.91	-2.52	-51.70
C[C@H](CNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005082649	0	29	-1.0	-48.26	283.92	-6.30	-54.56
C[C@H](CNC(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005082650	0	31	-1.0	-47.40	285.60	-4.38	-51.78
CON=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082651	0	31	-1.0	-49.09	297.27	-3.67	-52.76
C#CC1(C(=O)NC[C@@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005082652	0	33	-1.0	-47.30	311.02	-0.41	-47.71
C=CC=CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082653	0	35	-1.0	-47.52	322.97	-0.28	-47.80
C#C[C@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082654	0	33	-1.0	-49.12	308.19	-0.31	-49.43
CC=C(CC)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082655	0	37	-1.0	-47.33	324.15	-0.26	-47.59
COC(F)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082656	0	31	-1.0	-48.81	293.42	-3.40	-52.21
C[C@H](CNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)c1nsnc1[O-]	REAL250005082657	0	32	-1.0	-49.30	306.32	-1.04	-50.34
C=CCC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082658	0	37	-1.0	-46.49	325.75	-0.39	-46.88
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082659	0	34	-1.0	-47.02	306.71	-0.80	-47.82
C[C@H](CNC(=O)C(C)(C)O)NC(=O)c1nsnc1[O-]	REAL250005082660	0	34	-1.0	-47.40	305.28	-4.82	-52.22
C[C@H](CNC(=O)C1=NOCC1)NC(=O)c1nsnc1[O-]	REAL250005082661	0	32	-1.0	-49.95	298.84	-3.39	-53.34
CC(C#N)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082662	0	34	-1.0	-48.59	312.35	-1.20	-49.79
C[C@H](CNC(=O)[C@H](O)CF)NC(=O)c1nsnc1[O-]	REAL250005082663	0	31	-1.0	-48.32	291.91	-4.22	-52.54
C=C(C)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082664	0	34	-1.0	-46.95	309.07	-1.05	-48.00
C[C@H](CNC(=O)C(C)(C)C#N)NC(=O)c1nsnc1[O-]	REAL250005082665	0	34	-1.0	-49.55	312.63	-1.45	-51.00
CC(C)=C(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082666	0	37	-1.0	-47.60	325.62	-0.51	-48.11
C=CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082667	0	31	-1.0	-47.12	287.72	-1.70	-48.82
C[C@H](CNC(=O)CN(C)C)NC(=O)c1nsnc1[O-]	REAL250005082668	0	35	-1.0	-47.28	308.31	-3.90	-51.18
C[C@H](CNC(=O)CC#N)NC(=O)c1nsnc1[O-]	REAL250005082669	0	28	-1.0	-52.94	274.27	-2.57	-55.51
C[C@H](CNC(=O)C1CC1F)NC(=O)c1nsnc1[O-]	REAL250005082670	0	31	-1.0	-49.97	291.53	-1.40	-51.37
C[C@H](CNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005082671	0	30	-1.0	-46.65	281.40	-2.10	-48.75
C[C@H](CNC(=O)C1C=CCC1)NC(=O)c1nsnc1[O-]	REAL250005082672	0	35	-1.0	-46.85	310.45	-0.45	-47.30
C#CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082673	0	35	-1.0	-48.16	319.06	-0.58	-48.74
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082674	0	34	-1.0	-48.81	307.32	-2.17	-50.98
C[C@@H](O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082675	0	31	-1.0	-47.45	285.61	-4.38	-51.83
C[C@H](CNC(=O)CN1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082676	0	36	-1.0	-48.08	316.17	-4.33	-52.41
C=C1CC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082677	0	32	-1.0	-47.42	298.88	-0.89	-48.31
C[C@H](CNC(=O)C1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005082678	0	32	-1.0	-52.09	299.18	-5.67	-57.76
C[C@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005082679	0	32	-1.0	-51.85	299.76	-5.55	-57.40
C[C@H](CNC(=O)c1cnc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005082680	0	31	-1.0	-48.92	292.12	-2.40	-51.32
C[C@H](CNC(=O)C1CC(=O)C1)NC(=O)c1nsnc1[O-]	REAL250005082681	0	33	-1.0	-48.66	304.27	-1.88	-50.54
CC(C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-])=C1CC1	REAL250005082682	0	35	-1.0	-47.92	317.58	-0.01	-47.93
CC1=CC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082683	0	32	-1.0	-48.28	300.34	-0.76	-49.04
C[C@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005082684	0	32	-1.0	-51.83	299.75	-5.55	-57.38
C=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005082685	0	28	-1.0	-47.65	266.66	-2.52	-50.17
CC(CO)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082686	0	34	-1.0	-48.16	304.94	-4.86	-53.02
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnoc1	REAL250005082687	0	30	-1.0	-48.73	288.53	-2.51	-51.24
C#CC1(C(=O)N[C@H](C)CNC(=O)c2nsnc2[O-])CC1	REAL250005082688	0	33	-1.0	-47.58	311.02	-0.40	-47.98
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=COCC1	REAL250005082689	0	33	-1.0	-48.38	301.50	-2.39	-50.77
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005082690	0	31	-1.0	-51.51	285.95	-4.40	-55.91
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1C=CCC1	REAL250005082691	0	35	-1.0	-47.59	310.44	-0.46	-48.05
C=C1CC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082692	0	32	-1.0	-48.17	298.88	-0.91	-49.08
CC(CF)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082693	0	33	-1.0	-46.79	300.15	-1.45	-48.24
C=C(C)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082694	0	34	-1.0	-47.94	309.07	-1.06	-49.00
CC(C)=C(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082695	0	37	-1.0	-47.61	318.23	-0.26	-47.87
CC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082696	0	31	-1.0	-48.24	288.38	-1.62	-49.86
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082697	0	34	-1.0	-47.85	306.71	-0.81	-48.66
C=CC=CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082698	0	35	-1.0	-48.65	322.97	-0.28	-48.93
C#CCC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082699	0	35	-1.0	-47.67	319.96	-0.39	-48.06
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H](O)CF	REAL250005082700	0	31	-1.0	-48.64	291.91	-4.22	-52.86
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(O)CC1	REAL250005082701	0	32	-1.0	-47.20	293.64	-4.55	-51.75
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(=O)N1	REAL250005082702	0	32	-1.0	-53.62	299.76	-5.56	-59.18
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccno1	REAL250005082703	0	30	-1.0	-48.50	288.90	-2.50	-51.00
CCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082704	0	30	-1.0	-48.02	274.81	-2.25	-50.27
COCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082705	0	34	-1.0	-47.97	308.48	-3.18	-51.15
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005082706	0	31	-1.0	-47.96	285.33	-1.48	-49.44
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005082707	0	34	-1.0	-47.74	301.54	-0.97	-48.71
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCCC1	REAL250005082708	0	37	-1.0	-47.54	317.84	-0.35	-47.89
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005082709	0	34	-1.0	-48.07	305.75	-0.71	-48.78
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)F	REAL250005082710	0	33	-1.0	-46.64	300.48	-1.52	-48.16
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(F)F	REAL250005082711	0	30	-1.0	-46.19	286.66	-2.06	-48.25
COCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082712	0	31	-1.0	-50.54	287.53	-2.88	-53.42
CCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082713	0	33	-1.0	-47.83	296.31	-1.48	-49.31
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccco1	REAL250005082714	0	31	-1.0	-49.19	294.42	-1.93	-51.12
CC(C)CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082715	0	36	-1.0	-47.46	313.03	-0.89	-48.35
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005082716	0	34	-1.0	-47.83	306.71	-0.81	-48.64
CCOCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082717	0	34	-1.0	-50.54	309.38	-1.92	-52.46
CC(C)=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082718	0	34	-1.0	-47.67	304.29	-0.93	-48.60
CSCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082719	0	31	-1.0	-49.66	297.87	-1.82	-51.48
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccc[nH]1	REAL250005082720	0	32	-1.0	-49.67	297.31	-2.15	-51.82
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccoc1	REAL250005082721	0	31	-1.0	-50.47	293.59	-1.96	-52.43
CCCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082722	0	36	-1.0	-47.87	317.80	-0.70	-48.57
CC(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082723	0	33	-1.0	-47.66	294.36	-1.57	-49.23
CCC(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082724	0	36	-1.0	-47.56	312.48	-0.93	-48.49
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cc[nH]n1	REAL250005082725	0	31	-1.0	-51.80	293.01	-3.48	-55.28
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cn[nH]c1	REAL250005082726	0	31	-1.0	-50.32	292.30	-3.50	-53.82
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccon1	REAL250005082727	0	30	-1.0	-50.88	288.90	-2.69	-53.57
CCC=C(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082728	0	37	-1.0	-47.94	323.50	-0.16	-48.10
COC(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082729	0	34	-1.0	-50.06	307.31	-2.18	-52.24
C=CCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082730	0	34	-1.0	-47.73	309.12	-0.92	-48.65
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cocn1	REAL250005082731	0	30	-1.0	-50.57	289.21	-5.34	-55.91
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CCC1CC1	REAL250005082732	0	37	-1.0	-47.81	327.92	0.08	-47.73
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC=CC1	REAL250005082733	0	35	-1.0	-47.49	310.35	-0.48	-47.97
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CCC1	REAL250005082734	0	37	-1.0	-47.93	322.70	-0.19	-48.12
CC(C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-])C1CC1	REAL250005082735	0	37	-1.0	-47.31	324.28	-0.09	-47.40
CC=C(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082736	0	34	-1.0	-48.17	303.12	-0.94	-49.11
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(C)C1	REAL250005082737	0	37	-1.0	-47.48	321.29	-0.37	-47.85
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C=C1CCC1	REAL250005082738	0	35	-1.0	-48.38	313.96	-0.24	-48.62
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCC1	REAL250005082739	0	35	-1.0	-48.09	311.43	-0.37	-48.46
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1(C)C	REAL250005082740	0	37	-1.0	-47.29	321.93	-0.26	-47.55
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC1(C)C	REAL250005082741	0	37	-1.0	-47.33	321.92	-0.26	-47.59
C#CCCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082742	0	35	-1.0	-50.25	323.59	-0.18	-50.43
CCC(C)=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082743	0	37	-1.0	-47.41	325.81	-0.16	-47.57
CC(C)C#CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082744	0	35	-1.0	-49.01	324.20	-0.20	-49.21
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C#CC1CC1	REAL250005082745	0	33	-1.0	-49.22	313.87	-0.03	-49.25
C=C(C)CCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082746	0	37	-1.0	-47.51	330.73	-0.26	-47.77
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005082747	0	34	-1.0	-47.77	303.08	-0.87	-48.64
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1c[nH]nn1	REAL250005082748	0	30	-1.0	-51.99	288.26	-4.93	-56.92
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1(C)CC1	REAL250005082749	0	37	-1.0	-47.68	325.81	-0.21	-47.89
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnco1	REAL250005082750	0	30	-1.0	-49.42	289.21	-5.24	-54.66
C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082751	0	37	-1.0	-47.51	322.00	-0.61	-48.12
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082752	0	34	-1.0	-47.85	306.70	-0.81	-48.66
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CCC1	REAL250005082753	0	37	-1.0	-47.68	318.73	-0.45	-48.13
CCC(F)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082754	0	33	-1.0	-48.71	302.58	-1.44	-50.15
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CCCF	REAL250005082755	0	33	-1.0	-49.98	302.89	-1.34	-51.32
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005082756	0	34	-1.0	-47.84	306.70	-0.81	-48.65
C=CCCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082757	0	37	-1.0	-48.19	330.61	-0.14	-48.33
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005082758	0	28	-1.0	-48.89	270.15	-6.90	-55.79
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1C	REAL250005082759	0	37	-1.0	-48.00	327.12	-0.03	-48.03
CCC1(C(=O)N[C@@H](C)CNC(=O)c2nsnc2[O-])CC1	REAL250005082760	0	37	-1.0	-47.74	328.04	-0.31	-48.05
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)C	REAL250005082761	0	36	-1.0	-47.46	313.24	-1.01	-48.47
CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082762	0	37	-1.0	-47.81	328.12	-0.04	-47.85
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC12CC2	REAL250005082763	0	35	-1.0	-48.15	317.78	-0.01	-48.16
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1CC(=O)N1	REAL250005082764	0	32	-1.0	-54.25	299.27	-5.89	-60.14
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC(=O)N1	REAL250005082765	0	32	-1.0	-54.09	299.27	-5.89	-59.98
C=CCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082766	0	31	-1.0	-47.99	287.72	-1.71	-49.70
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CN(C)C	REAL250005082767	0	35	-1.0	-48.25	308.31	-3.91	-52.16
C=CC(O)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082768	0	32	-1.0	-47.93	298.81	-3.84	-51.77
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1COC1	REAL250005082769	0	32	-1.0	-48.27	292.16	-3.74	-52.01
CO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082770	0	34	-1.0	-50.05	307.32	-2.17	-52.22
CCC=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082771	0	34	-1.0	-48.00	309.47	-0.86	-48.86
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005082772	0	29	-1.0	-49.71	283.92	-6.29	-56.00
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005082773	0	28	-1.0	-52.09	265.28	-5.16	-57.25
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CC(N)=O	REAL250005082774	0	32	-1.0	-51.66	304.77	-5.60	-57.26
CC(O)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082775	0	31	-1.0	-48.76	285.60	-4.38	-53.14
C=CCC(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082776	0	37	-1.0	-47.34	326.98	-0.34	-47.68
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1F	REAL250005082777	0	31	-1.0	-51.49	290.02	-1.37	-52.86
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005082778	0	30	-1.0	-47.41	281.40	-2.11	-49.52
CC(C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-])=C1CC1	REAL250005082779	0	35	-1.0	-48.63	317.58	0.01	-48.62
CCC1CC1C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082780	0	37	-1.0	-47.39	322.63	-0.03	-47.42
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CCF	REAL250005082781	0	31	-1.0	-49.39	294.56	-1.50	-50.89
C#CCCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082782	0	32	-1.0	-48.26	302.09	-0.97	-49.23
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CN1CCC1	REAL250005082783	0	36	-1.0	-48.88	316.17	-4.32	-53.20
C#C[C@H]1C[C@H]1C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082784	0	33	-1.0	-50.23	308.20	-0.31	-50.54
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1C2CCC21	REAL250005082785	0	35	-1.0	-48.00	312.69	-0.12	-48.12
C=C1CCC1C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082786	0	35	-1.0	-47.69	315.06	-0.47	-48.16
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1[C@H](C)[C@@H]1C	REAL250005082787	0	37	-1.0	-47.84	323.19	-0.26	-48.10
CC=CC=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082788	0	35	-1.0	-48.33	323.55	-0.20	-48.53
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCO1	REAL250005082789	0	32	-1.0	-50.99	293.70	-2.72	-53.71
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)CCN=[N+]=[N-]	REAL250005082790	0	32	-1.0	-47.28	304.94	-5.63	-52.91
C#CCOCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082791	0	33	-1.0	-53.05	315.17	-1.39	-54.44
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)O	REAL250005082792	0	34	-1.0	-47.21	305.29	-4.83	-52.04
CC1=CC1C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082793	0	32	-1.0	-49.06	300.37	-0.77	-49.83
C=C1CC(C(=O)N[C@@H](C)CNC(=O)c2nsnc2[O-])C1	REAL250005082794	0	35	-1.0	-47.42	315.09	-0.46	-47.88
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnc[nH]1	REAL250005082795	0	31	-1.0	-50.61	292.13	-2.39	-53.00
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCO1	REAL250005082796	0	33	-1.0	-48.37	302.90	-2.35	-50.72
C[C@@H](O)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082797	0	31	-1.0	-51.45	285.94	-4.40	-55.85
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CCO	REAL250005082798	0	32	-1.0	-50.83	299.48	-4.98	-55.81
COC(F)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082799	0	31	-1.0	-50.04	293.43	-3.40	-53.44
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C12CC1CC2	REAL250005082800	0	35	-1.0	-48.12	313.76	-0.27	-48.39
C=C[C@H](C)CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082801	0	37	-1.0	-47.27	325.82	-0.36	-47.63
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CC1CC1	REAL250005082802	0	35	-1.0	-47.99	320.35	-0.04	-48.03
CC=C(CC)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082803	0	37	-1.0	-48.04	324.15	-0.23	-48.27
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005082804	0	32	-1.0	-48.71	295.81	-0.89	-49.60
CON=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082805	0	31	-1.0	-49.95	297.27	-3.65	-53.60
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(F)CC1	REAL250005082806	0	31	-1.0	-46.83	291.70	-1.42	-48.25
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=NOCC1	REAL250005082807	0	32	-1.0	-48.71	298.85	-3.37	-52.08
C#CC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082808	0	35	-1.0	-49.45	319.06	-0.57	-50.02
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ncc[nH]1	REAL250005082809	0	31	-1.0	-51.03	293.26	-3.20	-54.23
CCCC=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082810	0	37	-1.0	-47.92	330.97	-0.08	-48.00
CC=C(F)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082811	0	31	-1.0	-47.04	293.35	-1.55	-48.59
C[C@@H](CNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082812	0	34	-1.0	-46.98	305.74	-0.70	-47.68
C[C@@H](CNC(=O)C(C)(C)F)NC(=O)c1nsnc1[O-]	REAL250005082813	0	33	-1.0	-47.02	300.48	-1.54	-48.56
C[C@@H](CNC(=O)C(C)(F)F)NC(=O)c1nsnc1[O-]	REAL250005082814	0	30	-1.0	-46.78	286.66	-2.05	-48.83
COCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082815	0	31	-1.0	-49.33	287.53	-2.87	-52.20
CCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082816	0	33	-1.0	-46.84	296.30	-1.47	-48.31
C[C@@H](CNC(=O)c1ccco1)NC(=O)c1nsnc1[O-]	REAL250005082817	0	31	-1.0	-49.07	294.42	-1.93	-51.00
CC(C)CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082818	0	36	-1.0	-46.47	313.03	-0.88	-47.35
C[C@@H](CNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005082819	0	34	-1.0	-47.02	306.70	-0.79	-47.81
CCOCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082820	0	34	-1.0	-49.30	309.38	-1.91	-51.21
CC(C)=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082821	0	34	-1.0	-47.10	304.27	-0.93	-48.03
CSCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082822	0	31	-1.0	-48.45	297.87	-1.81	-50.26
C[C@@H](CNC(=O)c1ccc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005082823	0	32	-1.0	-48.22	297.31	-2.15	-50.37
C[C@@H](CNC(=O)c1ccoc1)NC(=O)c1nsnc1[O-]	REAL250005082824	0	31	-1.0	-49.16	293.59	-1.97	-51.13
CCCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082825	0	36	-1.0	-46.84	317.80	-0.69	-47.53
CC(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082826	0	33	-1.0	-46.69	294.36	-1.58	-48.27
CCC(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082827	0	36	-1.0	-46.56	312.48	-0.94	-47.50
C[C@@H](CNC(=O)c1cc[nH]n1)NC(=O)c1nsnc1[O-]	REAL250005082828	0	31	-1.0	-52.10	293.01	-3.49	-55.59
C[C@@H](CNC(=O)c1cn[nH]c1)NC(=O)c1nsnc1[O-]	REAL250005082829	0	31	-1.0	-50.05	292.30	-3.51	-53.56
C[C@@H](CNC(=O)c1ccon1)NC(=O)c1nsnc1[O-]	REAL250005082830	0	30	-1.0	-51.68	288.90	-2.70	-54.38
CCC=C(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082831	0	37	-1.0	-47.23	323.50	-0.19	-47.42
COC(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082832	0	34	-1.0	-48.83	307.31	-2.18	-51.01
C=CCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082833	0	34	-1.0	-46.86	309.12	-0.91	-47.77
C[C@@H](CNC(=O)c1cocn1)NC(=O)c1nsnc1[O-]	REAL250005082834	0	30	-1.0	-51.15	289.21	-5.34	-56.49
CC(C#N)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082835	0	31	-1.0	-50.73	293.78	-1.96	-52.69
C[C@@H](CNC(=O)CCC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082836	0	37	-1.0	-46.81	327.92	0.10	-46.71
C[C@@H](CNC(=O)C1CC=CC1)NC(=O)c1nsnc1[O-]	REAL250005082837	0	35	-1.0	-46.58	310.38	-0.46	-47.04
C[C@@H](CNC(=O)CC1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082838	0	37	-1.0	-46.87	322.71	-0.18	-47.05
CC(C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-])C1CC1	REAL250005082839	0	37	-1.0	-46.66	323.66	-0.13	-46.79
CC=C(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082840	0	34	-1.0	-47.42	303.12	-0.97	-48.39
C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1nsnc1[O-]	REAL250005082841	0	37	-1.0	-46.48	321.27	-0.37	-46.85
C[C@@H](CNC(=O)C=C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082842	0	35	-1.0	-47.84	313.97	-0.25	-48.09
C[C@@H](CNC(=O)C1=CCCC1)NC(=O)c1nsnc1[O-]	REAL250005082843	0	35	-1.0	-47.41	311.40	-0.38	-47.79
C[C@@H](CNC(=O)C1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005082844	0	37	-1.0	-46.58	321.92	-0.24	-46.82
C[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005082845	0	37	-1.0	-46.56	321.94	-0.24	-46.80
C#CCCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082846	0	35	-1.0	-48.99	323.58	-0.17	-49.16
CCC(C)=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082847	0	37	-1.0	-46.83	325.96	-0.18	-47.01
CC(C)C#CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082848	0	35	-1.0	-48.63	324.20	-0.22	-48.85
C[C@@H](CNC(=O)C#CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082849	0	33	-1.0	-48.96	313.87	-0.05	-49.01
CCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082850	0	30	-1.0	-47.03	274.81	-2.24	-49.27
COCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082851	0	34	-1.0	-47.29	308.48	-3.16	-50.45
C[C@@H](CNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005082852	0	31	-1.0	-47.13	285.32	-1.46	-48.59
C[C@@H](CNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082853	0	34	-1.0	-46.74	301.54	-0.96	-47.70
C[C@@H](CNC(=O)C1CCCC1)NC(=O)c1nsnc1[O-]	REAL250005082854	0	37	-1.0	-46.46	319.17	-0.35	-46.81
C=CCCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082855	0	37	-1.0	-47.06	330.61	-0.13	-47.19
C[C@@H](CNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005082856	0	28	-1.0	-50.06	270.15	-6.92	-56.98
C[C@@H](CNC(=O)CC1CC1C)NC(=O)c1nsnc1[O-]	REAL250005082857	0	37	-1.0	-46.95	327.12	-0.02	-46.97
CCC1(C(=O)NC[C@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005082858	0	37	-1.0	-46.89	327.96	-0.26	-47.15
C[C@@H](CNC(=O)C(C)(C)C)NC(=O)c1nsnc1[O-]	REAL250005082859	0	36	-1.0	-46.51	313.24	-1.02	-47.53
C=C(C)CCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082860	0	37	-1.0	-46.63	330.76	-0.24	-46.87
CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082861	0	37	-1.0	-46.93	328.10	-0.03	-46.96
C[C@@H](CNC(=O)C1CC12CC2)NC(=O)c1nsnc1[O-]	REAL250005082862	0	35	-1.0	-47.35	317.77	0.00	-47.35
C[C@@H](CNC(=O)CC1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005082863	0	37	-1.0	-46.59	325.81	-0.22	-46.81
C[C@@H](CNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005082864	0	34	-1.0	-46.95	303.08	-0.88	-47.83
C[C@@H](CNC(=O)c1cc[nH]c1)NC(=O)c1nsnc1[O-]	REAL250005082865	0	32	-1.0	-50.65	297.44	-2.08	-52.73
C[C@@H](CNC(=O)c1cnco1)NC(=O)c1nsnc1[O-]	REAL250005082866	0	30	-1.0	-49.09	289.21	-5.23	-54.32
C=CC(C)(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082867	0	37	-1.0	-46.53	322.00	-0.62	-47.15
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082868	0	34	-1.0	-46.97	306.71	-0.79	-47.76
C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1nsnc1[O-]	REAL250005082869	0	37	-1.0	-46.66	318.73	-0.44	-47.10
CCC(F)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082870	0	33	-1.0	-47.12	302.58	-1.43	-48.55
C[C@@H](CNC(=O)CCCF)NC(=O)c1nsnc1[O-]	REAL250005082871	0	33	-1.0	-48.63	302.89	-1.33	-49.96
C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082872	0	34	-1.0	-46.98	306.70	-0.79	-47.77
C[C@@H](CNC(=O)c1c[nH]nn1)NC(=O)c1nsnc1[O-]	REAL250005082873	0	30	-1.0	-53.35	288.26	-4.94	-58.29
C[C@@H](CNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005082874	0	28	-1.0	-50.74	265.27	-5.15	-55.89
C[C@@H](CNC(=O)C=CC(N)=O)NC(=O)c1nsnc1[O-]	REAL250005082875	0	32	-1.0	-51.97	304.77	-5.60	-57.57
C[C@@H](CNC(=O)C1CCO1)NC(=O)c1nsnc1[O-]	REAL250005082876	0	32	-1.0	-49.75	293.28	-2.61	-52.36
C[C@@H](CNC(=O)C1=CCCO1)NC(=O)c1nsnc1[O-]	REAL250005082877	0	33	-1.0	-48.86	302.90	-2.36	-51.22
C[C@@H](CNC(=O)C1COC1)NC(=O)c1nsnc1[O-]	REAL250005082878	0	32	-1.0	-47.32	292.16	-3.73	-51.05
C[C@@H](CNC(=O)C=CCO)NC(=O)c1nsnc1[O-]	REAL250005082879	0	32	-1.0	-49.94	299.48	-5.00	-54.94
CCC=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082880	0	34	-1.0	-47.33	309.47	-0.88	-48.21
C[C@@H](CNC(=O)CCN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005082881	0	32	-1.0	-46.57	304.94	-5.62	-52.19
C#CCOCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082882	0	33	-1.0	-51.69	315.17	-1.38	-53.07
C#CCCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082883	0	32	-1.0	-47.46	302.08	-0.95	-48.41
CC=CC=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082884	0	35	-1.0	-47.73	323.55	-0.20	-47.93
C#CCC(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082885	0	35	-1.0	-46.95	319.95	-0.40	-47.35
C=CC(O)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082886	0	32	-1.0	-47.22	296.16	-3.64	-50.86
C[C@@H](CNC(=O)C12CC1CC2)NC(=O)c1nsnc1[O-]	REAL250005082887	0	35	-1.0	-47.33	313.76	-0.26	-47.59
C=C[C@H](C)CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082888	0	37	-1.0	-46.49	325.82	-0.35	-46.84
C[C@@H](CNC(=O)C=CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082889	0	35	-1.0	-47.28	320.35	-0.06	-47.34
CCC(C#N)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082890	0	34	-1.0	-50.35	314.41	-1.31	-51.66
C[C@@H](CNC(=O)C1C2CCC21)NC(=O)c1nsnc1[O-]	REAL250005082891	0	35	-1.0	-47.06	308.02	-0.14	-47.20
C=C1CCC1C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082892	0	35	-1.0	-47.19	315.10	-0.46	-47.65
C[C@@H](CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082893	0	37	-1.0	-46.95	323.19	-0.25	-47.20
CC(O)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082894	0	31	-1.0	-47.42	285.60	-4.38	-51.80
CC(=O)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082895	0	29	-1.0	-48.64	277.55	-3.10	-51.74
C[C@@H](CNC(=O)CCCC#N)NC(=O)c1nsnc1[O-]	REAL250005082896	0	34	-1.0	-53.27	317.16	-0.95	-54.22
C[C@@H](CNC(=O)C1(C#N)CC1)NC(=O)c1nsnc1[O-]	REAL250005082897	0	32	-1.0	-51.38	304.58	-1.23	-52.61
C=C1CC(C(=O)NC[C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005082898	0	35	-1.0	-46.61	315.05	-0.44	-47.05
C[C@@H](CNC(=O)C1(F)CC1)NC(=O)c1nsnc1[O-]	REAL250005082899	0	31	-1.0	-47.59	291.52	-1.43	-49.02
CC(CC#N)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082900	0	34	-1.0	-48.85	313.53	-1.22	-50.07
CCC1CC1C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082901	0	37	-1.0	-46.64	322.63	-0.02	-46.66
CCCC=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082902	0	37	-1.0	-47.16	330.97	-0.10	-47.26
CC=C(F)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082903	0	31	-1.0	-47.43	293.35	-1.57	-49.00
CC(=O)C=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082904	0	33	-1.0	-50.26	311.76	-1.74	-52.00
C[C@@H](CNC(=O)c1ncc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005082905	0	31	-1.0	-52.07	293.25	-3.20	-55.27
CC(CO)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082906	0	34	-1.0	-47.43	304.94	-4.87	-52.30
C[C@@H](CNC(=O)c1cnoc1)NC(=O)c1nsnc1[O-]	REAL250005082907	0	30	-1.0	-47.83	288.28	-2.49	-50.32
C[C@@H](CNC(=O)C(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005082908	0	33	-1.0	-48.53	308.14	-1.50	-50.03
C[C@@H](CNC(=O)[C@@H]1C[C@@H]1C#N)NC(=O)c1nsnc1[O-]	REAL250005082909	0	32	-1.0	-54.54	302.29	-1.18	-55.72
C[C@@H](CNC(=O)C1=COCC1)NC(=O)c1nsnc1[O-]	REAL250005082910	0	33	-1.0	-47.58	301.50	-2.40	-49.98
C[C@@H](CNC(=O)C1(O)CC1)NC(=O)c1nsnc1[O-]	REAL250005082911	0	32	-1.0	-46.90	293.64	-4.55	-51.45
C[C@@H](CNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005082912	0	32	-1.0	-47.95	295.28	-0.97	-48.92
CC(CF)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082913	0	33	-1.0	-46.06	300.15	-1.46	-47.52
CC=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082914	0	31	-1.0	-47.48	288.38	-1.64	-49.12
C[C@@H](CNC(=O)C=CCF)NC(=O)c1nsnc1[O-]	REAL250005082915	0	31	-1.0	-48.44	294.56	-1.52	-49.96
C[C@@H](CNC(=O)c1ccno1)NC(=O)c1nsnc1[O-]	REAL250005082916	0	30	-1.0	-49.20	288.91	-2.52	-51.72
C[C@@H](CNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005082917	0	29	-1.0	-48.13	283.91	-6.29	-54.42
C[C@H](O)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082918	0	31	-1.0	-50.10	285.94	-4.40	-54.50
CON=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082919	0	31	-1.0	-49.12	297.27	-3.67	-52.79
C#CC1(C(=O)NC[C@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005082920	0	33	-1.0	-47.62	311.02	-0.41	-48.03
C=CC=CCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082921	0	35	-1.0	-47.48	322.97	-0.27	-47.75
C#C[C@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082922	0	33	-1.0	-49.18	308.19	-0.30	-49.48
CC=C(CC)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082923	0	37	-1.0	-47.30	324.15	-0.26	-47.56
COC(F)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082924	0	31	-1.0	-48.83	293.43	-3.40	-52.23
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C#N)NC(=O)c1nsnc1[O-]	REAL250005082925	0	32	-1.0	-49.41	306.33	-1.04	-50.45
C=CCC(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082926	0	37	-1.0	-46.42	326.98	-0.34	-46.76
C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005082927	0	34	-1.0	-46.97	306.71	-0.79	-47.76
C[C@@H](CNC(=O)C(C)(C)O)NC(=O)c1nsnc1[O-]	REAL250005082928	0	34	-1.0	-47.34	305.29	-4.82	-52.16
C[C@@H](CNC(=O)C1=NOCC1)NC(=O)c1nsnc1[O-]	REAL250005082929	0	32	-1.0	-50.01	298.84	-3.39	-53.40
CC(C#N)CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082930	0	34	-1.0	-48.61	312.35	-1.21	-49.82
C[C@@H](CNC(=O)[C@H](O)CF)NC(=O)c1nsnc1[O-]	REAL250005082931	0	31	-1.0	-48.29	291.91	-4.22	-52.51
C=C(C)CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082932	0	34	-1.0	-46.92	309.36	-1.03	-47.95
C[C@@H](CNC(=O)C(C)(C)C#N)NC(=O)c1nsnc1[O-]	REAL250005082933	0	34	-1.0	-49.52	312.63	-1.45	-50.97
CC(C)=C(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082934	0	37	-1.0	-47.05	319.11	-0.23	-47.28
C=CCC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082935	0	31	-1.0	-47.07	287.72	-1.69	-48.76
C[C@@H](CNC(=O)CN(C)C)NC(=O)c1nsnc1[O-]	REAL250005082936	0	35	-1.0	-47.30	308.30	-3.91	-51.21
C[C@@H](CNC(=O)CC#N)NC(=O)c1nsnc1[O-]	REAL250005082937	0	28	-1.0	-52.95	274.27	-2.57	-55.52
C[C@@H](CNC(=O)C1CC1F)NC(=O)c1nsnc1[O-]	REAL250005082938	0	31	-1.0	-49.87	291.53	-1.40	-51.27
C[C@@H](CNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005082939	0	30	-1.0	-46.64	281.40	-2.10	-48.74
C[C@@H](CNC(=O)C1C=CCC1)NC(=O)c1nsnc1[O-]	REAL250005082940	0	35	-1.0	-46.93	310.45	-0.45	-47.38
C#CC(C)(C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082941	0	35	-1.0	-48.19	319.06	-0.58	-48.77
CO[C@H](C)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082942	0	34	-1.0	-48.81	307.31	-2.18	-50.99
C[C@@H](O)C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082943	0	31	-1.0	-47.38	285.55	-4.38	-51.76
C[C@@H](CNC(=O)CN1CCC1)NC(=O)c1nsnc1[O-]	REAL250005082944	0	36	-1.0	-48.08	316.17	-4.32	-52.40
C=C1CC1C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082945	0	32	-1.0	-47.51	298.88	-0.89	-48.40
C[C@@H](CNC(=O)C1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005082946	0	32	-1.0	-52.04	299.19	-5.66	-57.70
C[C@@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005082947	0	32	-1.0	-51.87	299.76	-5.55	-57.42
C[C@@H](CNC(=O)c1cnc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005082948	0	31	-1.0	-48.91	292.13	-2.40	-51.31
C[C@@H](CNC(=O)C1CC(=O)C1)NC(=O)c1nsnc1[O-]	REAL250005082949	0	33	-1.0	-48.70	304.27	-1.88	-50.58
CC(C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-])=C1CC1	REAL250005082950	0	35	-1.0	-47.90	317.59	-0.01	-47.91
CC1=CC1C(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082951	0	32	-1.0	-48.39	300.37	-0.77	-49.16
C[C@@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005082952	0	32	-1.0	-51.84	299.74	-5.55	-57.39
C=CC(=O)NC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005082953	0	28	-1.0	-47.65	266.66	-2.52	-50.17
CC(CO)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082954	0	34	-1.0	-48.11	304.94	-4.86	-52.97
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnoc1	REAL250005082955	0	30	-1.0	-49.67	288.28	-2.48	-52.15
C#CC1(C(=O)N[C@@H](C)CNC(=O)c2nsnc2[O-])CC1	REAL250005082956	0	33	-1.0	-47.83	311.02	-0.40	-48.23
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=COCC1	REAL250005082957	0	33	-1.0	-48.44	301.52	-2.39	-50.83
C[C@H](O)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082958	0	31	-1.0	-51.36	285.95	-4.40	-55.76
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1C=CCC1	REAL250005082959	0	35	-1.0	-47.58	310.45	-0.47	-48.05
C=C1CC1C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082960	0	32	-1.0	-48.21	298.90	-0.91	-49.12
CC(CF)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082961	0	33	-1.0	-46.81	300.15	-1.45	-48.26
C=C(C)CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082962	0	34	-1.0	-48.00	309.33	-1.05	-49.05
CC(C)=C(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082963	0	37	-1.0	-47.59	318.33	-0.27	-47.86
CC=CC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082964	0	31	-1.0	-48.28	288.38	-1.62	-49.90
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082965	0	34	-1.0	-47.85	306.70	-0.81	-48.66
C=CC=CCC(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082966	0	35	-1.0	-48.44	322.97	-0.28	-48.72
C#CCC(C)C(=O)N[C@@H](C)CNC(=O)c1nsnc1[O-]	REAL250005082967	0	35	-1.0	-47.79	319.95	-0.39	-48.18
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H](O)CF	REAL250005082968	0	31	-1.0	-49.68	291.92	-4.23	-53.91
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(O)CC1	REAL250005082969	0	32	-1.0	-47.21	293.64	-4.55	-51.76
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(=O)N1	REAL250005082970	0	32	-1.0	-53.63	299.76	-5.55	-59.18
C[C@@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccno1	REAL250005082971	0	30	-1.0	-48.45	288.91	-2.51	-50.96
CCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082972	0	33	-1.0	-45.60	284.92	0.33	-45.27
CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082973	0	30	-1.0	-45.89	264.32	-0.50	-46.39
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005082974	0	34	-1.0	-59.59	297.36	1.03	-58.56
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005082975	0	37	-1.0	-59.35	312.51	1.53	-57.82
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005082976	0	37	-1.0	-45.89	315.81	1.87	-44.02
COCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082977	0	34	-1.0	-47.45	297.64	-0.31	-47.76
CCCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082978	0	36	-1.0	-45.66	306.41	1.09	-44.57
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005082979	0	37	-1.0	-47.13	316.76	1.75	-45.38
CC(C)=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082980	0	37	-1.0	-47.62	314.28	1.64	-45.98
CC(C)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082981	0	36	-1.0	-45.18	304.46	0.97	-44.21
C=CCCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082982	0	37	-1.0	-45.56	319.23	1.65	-43.91
CC=C(C)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082983	0	37	-1.0	-47.03	312.19	1.59	-45.44
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005082984	0	37	-1.0	-59.68	315.11	1.63	-58.05
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005082985	0	37	-1.0	-59.51	317.70	1.69	-57.82
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005082986	0	37	-1.0	-59.34	318.73	1.70	-57.64
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005082987	0	31	-1.0	-54.61	280.26	-4.34	-58.95
C=CCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082988	0	34	-1.0	-45.72	297.83	0.87	-44.85
CCC=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082989	0	37	-1.0	-47.36	319.58	1.70	-45.66
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005082990	0	32	-1.0	-44.60	294.03	-3.72	-48.32
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CO	REAL250005082991	0	31	-1.0	-48.24	275.38	-2.60	-50.84
CC(O)C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082992	0	34	-1.0	-46.62	295.72	-1.81	-48.43
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005082993	0	33	-1.0	-45.36	291.50	0.46	-44.90
C#CCCC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082994	0	35	-1.0	-46.66	312.20	1.61	-45.05
CC1=CC1C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005082995	0	35	-1.0	-60.15	311.33	1.75	-58.40
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@@H](C)O	REAL250005082996	0	34	-1.0	-59.06	296.60	-1.90	-60.96
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005082997	0	35	-1.0	-60.64	306.78	1.61	-59.03
CC(CN(C)C(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005082998	0	37	-1.0	-54.72	318.92	1.50	-53.22
COCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005082999	0	34	-1.0	-56.45	300.08	-0.66	-57.11
CCCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083000	0	36	-1.0	-53.43	308.86	0.82	-52.61
CC(CN(C)C(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005083001	0	37	-1.0	-55.13	319.80	1.37	-53.76
CC(C)=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083002	0	37	-1.0	-54.41	316.63	1.26	-53.15
CC(C)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083003	0	36	-1.0	-53.92	302.97	0.50	-53.42
C=CCCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083004	0	37	-1.0	-53.86	321.67	1.38	-52.48
CC(CN(C)C(=O)C(C)C#N)NC(=O)c1nsnc1[O-]	REAL250005083005	0	34	-1.0	-59.92	303.66	-0.00	-59.92
CC=C(C)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083006	0	37	-1.0	-55.23	320.53	1.20	-54.03
CCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083007	0	33	-1.0	-53.48	287.36	0.05	-53.43
CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083008	0	30	-1.0	-53.87	265.57	-0.73	-54.60
CC(CN(C)C(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005083009	0	34	-1.0	-53.69	298.07	0.78	-52.91
CC(CN(C)C(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005083010	0	37	-1.0	-55.25	314.43	1.15	-54.10
CC(CN(C)C(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005083011	0	31	-1.0	-52.84	281.52	-4.67	-57.51
CC(CN(C)C(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005083012	0	37	-1.0	-54.56	315.07	1.15	-53.41
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083013	0	37	-1.0	-55.68	321.12	1.35	-54.33
CC(CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083014	0	37	-1.0	-55.90	320.36	1.35	-54.55
CC(CN(C)C(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005083015	0	31	-1.0	-57.58	277.83	-2.94	-60.52
CCC=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083016	0	37	-1.0	-53.90	321.19	1.40	-52.50
C#CCCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083017	0	35	-1.0	-53.69	314.64	1.34	-52.35
CC(O)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083018	0	34	-1.0	-56.69	293.68	-2.40	-59.09
CC(=O)C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083019	0	32	-1.0	-52.39	286.86	-0.72	-53.11
CC(CN(C)C(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005083020	0	35	-1.0	-56.44	304.40	1.10	-55.34
CC=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083021	0	34	-1.0	-53.84	300.10	0.64	-53.20
CC(CN(C)C(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005083022	0	32	-1.0	-54.56	296.46	-4.04	-58.60
CC(CN(C)C(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005083023	0	34	-1.0	-52.77	293.99	-2.32	-55.09
CC(CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083024	0	37	-1.0	-55.68	321.12	1.35	-54.33
C=C(C)CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083025	0	37	-1.0	-53.39	321.88	1.25	-52.14
C=CCC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083026	0	34	-1.0	-53.97	300.27	0.59	-53.38
CC(CN(C)C(=O)CC#N)NC(=O)c1nsnc1[O-]	REAL250005083027	0	31	-1.0	-59.68	286.82	-0.27	-59.95
CC(CN(C)C(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005083028	0	33	-1.0	-52.51	293.95	0.19	-52.32
CC(CN(C)C(=O)[C@@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005083029	0	34	-1.0	-60.25	295.30	-2.42	-62.67
C=C1CC1C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083030	0	35	-1.0	-53.77	311.37	1.35	-52.42
CC1=CC1C(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083031	0	35	-1.0	-54.53	312.42	1.48	-53.05
C=CC(=O)N(C)CC(C)NC(=O)c1nsnc1[O-]	REAL250005083032	0	31	-1.0	-53.73	278.38	-0.24	-53.97
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005083033	0	34	-1.0	-60.63	296.60	-1.88	-62.51
C=C1CC1C(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005083034	0	35	-1.0	-48.28	309.00	1.67	-46.61
C=C(C)CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005083035	0	37	-1.0	-46.21	319.44	1.52	-44.69
CC=CC(=O)NC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005083036	0	34	-1.0	-47.50	298.49	0.94	-46.56
CC(CN(C)C(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005083037	0	37	-1.0	-59.51	317.70	1.69	-57.82
CC(=O)NC1CCCCC1CNC(=O)c1nsnc1[O-]	REAL250005083038	0	37	-1.0	-51.66	314.19	-0.47	-52.13
CC(=O)NCC1CCCCC1NC(=O)c1nsnc1[O-]	REAL250005083039	0	37	-1.0	-57.91	314.19	-0.48	-58.39
CCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083040	0	33	-1.0	-53.62	294.59	-0.44	-54.06
CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083041	0	30	-1.0	-53.89	274.28	-1.23	-55.12
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1CC1	REAL250005083042	0	34	-1.0	-53.54	304.75	0.26	-53.28
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1CCC1	REAL250005083043	0	37	-1.0	-53.58	320.87	0.81	-52.77
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CC1CC1	REAL250005083044	0	37	-1.0	-53.79	325.26	1.08	-52.71
COCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083045	0	34	-1.0	-56.90	307.31	-1.06	-57.96
CCCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083046	0	36	-1.0	-53.46	316.09	0.32	-53.14
CC1CC1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083047	0	37	-1.0	-53.54	325.67	0.95	-52.59
CC(C)=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083048	0	37	-1.0	-52.79	323.20	0.84	-51.95
CC(C)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083049	0	36	-1.0	-53.46	309.23	-0.07	-53.53
C=CCCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083050	0	37	-1.0	-53.28	328.90	0.88	-52.40
CC=C(C)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083051	0	37	-1.0	-53.88	323.57	0.51	-53.37
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1(C)CC1	REAL250005083052	0	37	-1.0	-53.70	321.93	0.58	-53.12
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083053	0	37	-1.0	-53.54	326.40	0.96	-52.58
C[C@H]1C[C@@H]1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083054	0	37	-1.0	-53.57	325.68	0.96	-52.61
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C(N)=O	REAL250005083055	0	31	-1.0	-50.52	287.17	-5.07	-55.59
C=CCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083056	0	34	-1.0	-53.59	307.50	0.10	-53.49
CCC=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083057	0	37	-1.0	-53.60	328.43	0.91	-52.69
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CN=[N+]=[N-]	REAL250005083058	0	32	-1.0	-55.72	303.69	-4.53	-60.25
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CO	REAL250005083059	0	31	-1.0	-58.58	285.06	-3.34	-61.92
CC(O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083060	0	34	-1.0	-53.98	301.28	-2.77	-56.75
CN(CCCNC(=O)c1nsnc1[O-])C(=O)CCF	REAL250005083061	0	33	-1.0	-52.30	301.18	-0.30	-52.60
C#CCCC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083062	0	35	-1.0	-53.23	321.87	0.84	-52.39
CC1=CC1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083063	0	35	-1.0	-54.14	319.35	1.00	-53.14
C[C@@H](O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083064	0	34	-1.0	-54.39	300.28	-2.80	-57.19
CN(CCCNC(=O)c1nsnc1[O-])C(=O)C1=CCC1	REAL250005083065	0	35	-1.0	-54.90	310.74	0.67	-54.23
CN(CCCNC(=O)CC1CC1)C(=O)c1nsnc1[O-]	REAL250005083066	0	37	-1.0	-53.42	323.17	1.40	-52.02
COCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083067	0	34	-1.0	-56.15	304.93	-0.79	-56.94
CCCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083068	0	36	-1.0	-53.20	313.71	0.61	-52.59
CC1CC1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083069	0	37	-1.0	-53.34	324.11	1.29	-52.05
CC(C)=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083070	0	37	-1.0	-53.02	321.80	1.16	-51.86
CC(C)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083071	0	36	-1.0	-53.06	311.76	0.52	-52.54
C=CCCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083072	0	37	-1.0	-53.22	326.52	1.17	-52.05
CC(C#N)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083073	0	34	-1.0	-58.47	311.19	0.14	-58.33
CC=C(C)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083074	0	37	-1.0	-53.74	320.53	1.13	-52.61
CCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083075	0	33	-1.0	-53.50	292.21	-0.15	-53.65
CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083076	0	30	-1.0	-53.80	271.62	-0.96	-54.76
CN(CCCNC(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005083077	0	34	-1.0	-53.35	302.73	0.62	-52.73
CN(CCCNC(=O)C1CCC1)C(=O)c1nsnc1[O-]	REAL250005083078	0	37	-1.0	-53.09	318.94	1.12	-51.97
CN(CCCNC(=O)C(N)=O)C(=O)c1nsnc1[O-]	REAL250005083079	0	31	-1.0	-53.16	287.56	-4.83	-57.99
CN(CCCNC(=O)C1(C)CC1)C(=O)c1nsnc1[O-]	REAL250005083080	0	37	-1.0	-53.22	320.50	1.23	-51.99
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083081	0	37	-1.0	-53.31	324.12	1.30	-52.01
C[C@H]1C[C@@H]1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083082	0	37	-1.0	-53.33	323.37	1.31	-52.02
CN(CCCNC(=O)CO)C(=O)c1nsnc1[O-]	REAL250005083083	0	31	-1.0	-57.89	282.68	-3.07	-60.96
CCC=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083084	0	37	-1.0	-53.48	326.88	1.22	-52.26
C#CCCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083085	0	35	-1.0	-53.43	319.50	1.13	-52.30
CC(O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083086	0	34	-1.0	-53.49	303.01	-2.28	-55.77
CC(=O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083087	0	32	-1.0	-52.14	294.96	-1.02	-53.16
CN(CCCNC(=O)C1=CCC1)C(=O)c1nsnc1[O-]	REAL250005083088	0	35	-1.0	-54.28	313.23	1.20	-53.08
CC=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083089	0	34	-1.0	-53.69	305.79	0.46	-53.23
CN(CCCNC(=O)CN=[N+]=[N-])C(=O)c1nsnc1[O-]	REAL250005083090	0	32	-1.0	-54.82	301.31	-4.20	-59.02
C[C@H](O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083091	0	34	-1.0	-57.23	302.55	-2.26	-59.49
C[C@@H]1C[C@H]1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083092	0	37	-1.0	-53.31	324.12	1.30	-52.01
C=C(C)CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083093	0	37	-1.0	-53.17	326.74	1.04	-52.13
C=CCC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083094	0	34	-1.0	-53.51	305.13	0.39	-53.12
CN(CCCNC(=O)CC#N)C(=O)c1nsnc1[O-]	REAL250005083095	0	31	-1.0	-60.55	291.67	-0.48	-61.03
CN(CCCNC(=O)CCF)C(=O)c1nsnc1[O-]	REAL250005083096	0	33	-1.0	-52.41	298.80	-0.01	-52.42
C[C@@H](O)C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083097	0	34	-1.0	-53.48	303.01	-2.28	-55.76
C=C1CC1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083098	0	35	-1.0	-53.57	316.30	1.19	-52.38
CC1=CC1C(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083099	0	35	-1.0	-54.36	317.76	1.33	-53.03
C=CC(=O)NCCCN(C)C(=O)c1nsnc1[O-]	REAL250005083100	0	31	-1.0	-53.86	284.06	-0.43	-54.29
C[C@H](O)C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083101	0	34	-1.0	-58.41	300.62	-2.83	-61.24
C=C1CC1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083102	0	35	-1.0	-53.56	317.88	0.86	-52.70
C=C(C)CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083103	0	37	-1.0	-53.36	329.11	0.75	-52.61
CC=CC(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083104	0	34	-1.0	-53.81	307.34	0.15	-53.66
C[C@@H]1C[C@H]1C(=O)N(C)CCCNC(=O)c1nsnc1[O-]	REAL250005083105	0	37	-1.0	-53.54	326.40	0.96	-52.58
CCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083106	0	34	-1.0	-47.32	296.86	-0.28	-47.60
CC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083107	0	31	-1.0	-47.68	276.55	-1.09	-48.77
O=C(NCC(NC(=O)C1CC1)C1CC1)c1nsnc1[O-]	REAL250005083108	0	35	-1.0	-47.07	310.31	-0.03	-47.10
CCCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083109	0	37	-1.0	-47.01	321.28	-0.04	-47.05
CC(C)C(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083110	0	37	-1.0	-46.86	316.03	0.40	-46.46
NC(=O)C(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083111	0	32	-1.0	-48.18	292.21	-4.93	-53.11
C=CCC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083112	0	35	-1.0	-47.31	312.69	-0.26	-47.57
O=C(CO)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083113	0	32	-1.0	-51.06	290.25	-3.83	-54.89
CCCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083114	0	37	-1.0	-46.56	321.30	-0.14	-46.70
CC(C)C(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083115	0	37	-1.0	-46.46	319.35	-0.24	-46.70
CCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083116	0	34	-1.0	-46.87	299.80	-0.90	-47.77
CC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083117	0	31	-1.0	-47.25	279.51	-1.72	-48.97
O=C(NC(CNC(=O)C1CC1)C1CC1)c1nsnc1[O-]	REAL250005083118	0	35	-1.0	-47.07	307.37	0.41	-46.66
NC(=O)C(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083119	0	32	-1.0	-50.06	295.15	-5.57	-55.63
O=C(CO)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083120	0	32	-1.0	-50.51	290.27	-3.82	-54.33
CC(=O)C(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083121	0	33	-1.0	-48.55	302.06	-1.75	-50.30
CC=CC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083122	0	35	-1.0	-47.24	313.37	-0.29	-47.53
C=CCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083123	0	35	-1.0	-46.90	312.71	-0.36	-47.26
N#CCC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083124	0	32	-1.0	-52.66	299.26	-1.23	-53.89
C=CC(=O)NCC(NC(=O)c1nsnc1[O-])C1CC1	REAL250005083125	0	32	-1.0	-47.39	291.65	-1.18	-48.57
CC=CC(=O)NC(CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083126	0	35	-1.0	-47.41	310.43	0.34	-47.07
CCC1CN(C(C)=O)CCC1NC(=O)c1nsnc1[O-]	REAL250005083127	0	37	-1.0	-52.30	303.73	0.76	-51.54
CCC1CN(C(=O)c2nsnc2[O-])CCC1NC(C)=O	REAL250005083128	0	37	-1.0	-50.73	302.62	1.01	-49.72
CCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083129	0	31	-1.0	-52.86	276.66	-0.35	-53.21
CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083130	0	28	-1.0	-52.92	256.06	-1.15	-54.07
O=C(NCC1CCN1C(=O)c1nsnc1[O-])C1CC1	REAL250005083131	0	32	-1.0	-53.74	287.18	0.42	-53.32
O=C(NCC1CCN1C(=O)c1nsnc1[O-])C1CCC1	REAL250005083132	0	35	-1.0	-53.19	302.97	0.86	-52.33
O=C(CC1CC1)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083133	0	35	-1.0	-52.93	307.60	1.19	-51.74
COCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083134	0	32	-1.0	-55.28	289.38	-0.98	-56.26
CCCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083135	0	34	-1.0	-52.80	298.16	0.42	-52.38
CC(C)CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083136	0	37	-1.0	-52.50	314.88	1.00	-51.50
CC1CC1C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083137	0	35	-1.0	-53.52	308.55	1.09	-52.43
CC(C)=CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083138	0	35	-1.0	-53.74	306.34	0.96	-52.78
CCCCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083139	0	37	-1.0	-52.85	319.65	1.20	-51.65
CC(C)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083140	0	34	-1.0	-52.51	295.80	0.31	-52.20
CCC(C)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083141	0	37	-1.0	-53.19	314.33	0.97	-52.22
C=CCCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083142	0	35	-1.0	-52.99	310.97	0.98	-52.01
CC=C(C)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083143	0	35	-1.0	-54.36	304.97	0.94	-53.42
CC1(C(=O)NCC2CCN2C(=O)c2nsnc2[O-])CC1	REAL250005083144	0	35	-1.0	-53.64	304.53	0.97	-52.67
C[C@@H]1C[C@H]1C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083145	0	35	-1.0	-53.20	308.15	1.03	-52.17
C[C@H]1C[C@@H]1C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083146	0	35	-1.0	-53.19	308.15	1.03	-52.16
NC(=O)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083147	0	29	-1.0	-56.54	272.00	-5.01	-61.55
CC(C)(C)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083148	0	37	-1.0	-52.81	314.69	0.87	-51.94
C=CCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083149	0	32	-1.0	-53.17	289.57	0.19	-52.98
CN(C)CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083150	0	36	-1.0	-53.24	310.16	-2.02	-55.26
C=CC(O)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083151	0	33	-1.0	-51.08	297.47	-1.76	-52.84
O=C(NCC1CCN1C(=O)c1nsnc1[O-])C1COC1	REAL250005083152	0	33	-1.0	-52.18	293.62	-1.91	-54.09
CCC=CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083153	0	35	-1.0	-54.02	311.32	1.02	-53.00
[N-]=[N+]=NCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083154	0	30	-1.0	-51.88	285.77	-4.40	-56.28
O=C(CO)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083155	0	29	-1.0	-56.43	267.13	-3.27	-59.70
CC(O)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083156	0	32	-1.0	-54.50	287.45	-2.48	-56.98
O=C(CCF)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083157	0	31	-1.0	-51.63	283.25	-0.21	-51.84
C#CCCC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083158	0	33	-1.0	-53.11	303.94	0.93	-52.18
O=C(NCC1CCN1C(=O)c1nsnc1[O-])C1CCO1	REAL250005083159	0	33	-1.0	-54.67	294.69	-0.79	-55.46
CC1=CC1C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083160	0	33	-1.0	-54.59	301.76	1.06	-53.53
C[C@@H](O)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083161	0	32	-1.0	-55.72	287.25	-2.52	-58.24
O=C(C=CCO)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083162	0	33	-1.0	-56.83	301.34	-3.10	-59.93
O=C(NCC1CCN1C(=O)c1nsnc1[O-])C1=CCC1	REAL250005083163	0	33	-1.0	-55.47	297.66	1.01	-54.46
CON=CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083164	0	32	-1.0	-54.82	299.12	-1.78	-56.60
O=C(CC1CC1)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083165	0	35	-1.0	-59.95	310.94	1.15	-58.80
COCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083166	0	32	-1.0	-62.22	292.21	-1.15	-63.37
CCCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083167	0	34	-1.0	-58.39	300.98	0.30	-58.09
CC(C)CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083168	0	37	-1.0	-58.00	317.71	0.90	-57.10
CC1CC1C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083169	0	35	-1.0	-58.72	307.93	0.37	-58.35
CC(C)=CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083170	0	35	-1.0	-58.62	308.17	0.92	-57.70
CCCCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083171	0	37	-1.0	-59.23	324.49	0.44	-58.79
CC(C)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083172	0	34	-1.0	-58.48	296.22	-0.04	-58.52
CCC(C)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083173	0	37	-1.0	-59.37	318.40	0.88	-58.49
C=CCCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083174	0	35	-1.0	-58.44	313.79	0.86	-57.58
CC(C#N)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083175	0	32	-1.0	-66.48	295.65	-0.42	-66.90
CC=C(C)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083176	0	35	-1.0	-61.13	303.07	0.47	-60.66
CCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083177	0	31	-1.0	-58.38	279.49	-0.46	-58.84
CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083178	0	28	-1.0	-59.14	258.80	-1.15	-60.29
O=C(NCC1CCN1C(=O)C1CC1)c1nsnc1[O-]	REAL250005083179	0	32	-1.0	-59.69	290.51	0.38	-59.31
O=C(NCC1CCN1C(=O)C1CCC1)c1nsnc1[O-]	REAL250005083180	0	35	-1.0	-59.71	306.70	0.90	-58.81
NC(=O)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083181	0	29	-1.0	-55.09	271.82	-5.11	-60.20
CC(C)(C)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083182	0	37	-1.0	-60.07	311.02	0.40	-59.67
CC1(C(=O)N2CCC2CNC(=O)c2nsnc2[O-])CC1	REAL250005083183	0	35	-1.0	-59.14	305.76	0.63	-58.51
C[C@@H]1C[C@H]1C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083184	0	35	-1.0	-60.56	311.89	1.07	-59.49
C[C@H]1C[C@@H]1C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083185	0	35	-1.0	-59.11	313.03	0.33	-58.78
O=C(CO)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083186	0	29	-1.0	-64.42	269.58	-3.33	-67.75
O=C(NCC1CCN1C(=O)C1CCO1)c1nsnc1[O-]	REAL250005083187	0	33	-1.0	-65.80	298.05	-0.81	-66.61
O=C(NCC1CCN1C(=O)C1COC1)c1nsnc1[O-]	REAL250005083188	0	33	-1.0	-59.36	298.80	-2.62	-61.98
O=C(C=CCO)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083189	0	33	-1.0	-63.87	303.53	-3.11	-66.98
CCC=CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083190	0	35	-1.0	-59.54	313.52	1.01	-58.53
C#CCCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083191	0	33	-1.0	-58.16	306.77	0.82	-57.34
C=CC(O)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083192	0	33	-1.0	-59.76	300.76	-2.65	-62.41
CC(O)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083193	0	32	-1.0	-60.36	289.76	-3.44	-63.80
CC(=O)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083194	0	30	-1.0	-54.94	278.75	-1.31	-56.25
O=C(NCC1CCN1C(=O)C1(O)CC1)c1nsnc1[O-]	REAL250005083195	0	33	-1.0	-57.57	300.08	-3.03	-60.60
O=C(NCC1CCN1C(=O)C1=CCC1)c1nsnc1[O-]	REAL250005083196	0	33	-1.0	-61.55	298.16	0.81	-60.74
CC=CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083197	0	32	-1.0	-59.53	292.43	0.25	-59.28
[N-]=[N+]=NCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083198	0	30	-1.0	-61.25	288.22	-4.39	-65.64
C[C@H](O)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083199	0	32	-1.0	-60.80	288.06	-2.75	-63.55
CON=CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083200	0	32	-1.0	-62.14	301.33	-1.79	-63.93
C[C@@H]1C[C@H]1C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083201	0	35	-1.0	-60.56	311.89	1.07	-59.49
C=C(C)CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083202	0	35	-1.0	-58.16	314.01	0.73	-57.43
C=CCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083203	0	32	-1.0	-58.64	292.40	0.08	-58.56
CN(C)CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083204	0	36	-1.0	-58.98	312.99	-2.13	-61.11
N#CCC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083205	0	29	-1.0	-68.41	278.57	-0.65	-69.06
O=C(CCF)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083206	0	31	-1.0	-56.62	286.08	-0.31	-56.93
C[C@@H](O)C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083207	0	32	-1.0	-64.39	290.48	-3.41	-67.80
C=C1CC1C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083208	0	33	-1.0	-58.49	303.57	0.88	-57.61
CC1=CC1C(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083209	0	33	-1.0	-59.94	305.51	1.10	-58.84
C=CC(=O)N1CCC1CNC(=O)c1nsnc1[O-]	REAL250005083210	0	29	-1.0	-59.39	270.70	-0.62	-60.01
C[C@H](O)C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083211	0	32	-1.0	-54.25	287.08	-2.54	-56.79
C=C1CC1C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083212	0	33	-1.0	-54.28	300.73	0.99	-53.29
C=C(C)CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083213	0	35	-1.0	-52.86	310.92	0.84	-52.02
CC=CC(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083214	0	32	-1.0	-53.97	290.23	0.26	-53.71
C[C@@H]1C[C@H]1C(=O)NCC1CCN1C(=O)c1nsnc1[O-]	REAL250005083215	0	35	-1.0	-53.20	308.15	1.03	-52.17
O=C(NCC1CCN1C(=O)c1nsnc1[O-])C1(O)CC1	REAL250005083216	0	33	-1.0	-54.58	295.09	-2.71	-57.29
CCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083217	0	31	-1.0	-52.81	284.78	-1.44	-54.25
CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083218	0	28	-1.0	-56.20	264.09	-2.82	-59.02
O=C(NC1(CNC(=O)C2CC2)CC1)c1nsnc1[O-]	REAL250005083219	0	32	-1.0	-53.49	293.64	-0.72	-54.21
O=C(NC1(CNC(=O)C2CCC2)CC1)c1nsnc1[O-]	REAL250005083220	0	35	-1.0	-55.42	308.57	-0.84	-56.26
O=C(CC1CC1)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083221	0	35	-1.0	-52.51	315.08	0.05	-52.46
COCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083222	0	32	-1.0	-55.54	297.50	-2.08	-57.62
CCCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083223	0	34	-1.0	-52.69	306.28	-0.68	-53.37
CC(C)CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083224	0	37	-1.0	-52.33	323.00	-0.09	-52.42
CC1CC1C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083225	0	35	-1.0	-55.98	316.56	-0.57	-56.55
CC(C)=CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083226	0	35	-1.0	-53.24	314.50	-0.23	-53.47
CCCCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083227	0	37	-1.0	-52.70	327.77	0.10	-52.60
CC(C)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083228	0	34	-1.0	-52.93	304.33	-0.77	-53.70
CCC(C)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083229	0	37	-1.0	-52.85	322.45	-0.13	-52.98
C=CCCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083230	0	35	-1.0	-52.75	319.09	-0.12	-52.87
CC=C(C)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083231	0	35	-1.0	-58.76	309.86	-0.81	-59.57
CC1(C(=O)NCC2(NC(=O)c3nsnc3[O-])CC2)CC1	REAL250005083232	0	35	-1.0	-57.84	316.30	-0.81	-58.65
C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083233	0	35	-1.0	-55.80	316.57	-0.57	-56.37
C[C@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083234	0	35	-1.0	-56.00	316.55	-0.57	-56.57
NC(=O)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083235	0	29	-1.0	-52.02	280.12	-6.11	-58.13
CC(C)(C)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083236	0	37	-1.0	-56.13	322.58	-0.83	-56.96
C=CCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083237	0	32	-1.0	-53.08	297.69	-0.90	-53.98
CN(C)CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083238	0	36	-1.0	-53.26	318.28	-3.11	-56.37
C=CC(O)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083239	0	33	-1.0	-51.69	306.13	-2.85	-54.54
O=C(NC1(CNC(=O)C2COC2)CC1)c1nsnc1[O-]	REAL250005083240	0	33	-1.0	-52.25	300.48	-2.99	-55.24
CCC=CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083241	0	35	-1.0	-53.18	319.44	-0.08	-53.26
[N-]=[N+]=NCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083242	0	30	-1.0	-53.28	293.89	-5.50	-58.78
O=C(CO)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083243	0	29	-1.0	-57.13	275.25	-4.36	-61.49
CC(O)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083244	0	32	-1.0	-56.68	295.12	-3.56	-60.24
O=C(CCF)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083245	0	31	-1.0	-51.34	291.37	-1.30	-52.64
C#CCCC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083246	0	33	-1.0	-52.64	312.06	-0.16	-52.80
O=C(NC1(CNC(=O)C2CCO2)CC1)c1nsnc1[O-]	REAL250005083247	0	33	-1.0	-58.61	303.26	-2.51	-61.12
CC1=CC1C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083248	0	33	-1.0	-57.14	310.39	-0.56	-57.70
C[C@@H](O)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083249	0	32	-1.0	-56.33	294.99	-3.52	-59.85
O=C(C=CCO)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083250	0	33	-1.0	-56.63	309.45	-4.21	-60.84
O=C(NCC1(NC(=O)c2nsnc2[O-])CC1)C1=CCC1	REAL250005083251	0	33	-1.0	-58.95	304.41	-0.81	-59.76
CON=CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083252	0	32	-1.0	-54.24	307.24	-2.88	-57.12
O=C(CC1CC1)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083253	0	35	-1.0	-53.56	315.07	0.08	-53.48
COCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083254	0	32	-1.0	-58.83	297.32	-2.12	-60.95
CCCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083255	0	34	-1.0	-55.30	306.09	-0.72	-56.02
CC(C)CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083256	0	37	-1.0	-54.53	321.00	-0.08	-54.61
CC1CC1C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083257	0	35	-1.0	-55.88	316.49	-0.04	-55.92
CC(C)=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083258	0	35	-1.0	-53.78	313.29	-0.17	-53.95
CCCCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083259	0	37	-1.0	-54.67	327.15	-0.44	-55.11
CC(C)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083260	0	34	-1.0	-55.05	303.95	-0.82	-55.87
CCC(C)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083261	0	37	-1.0	-54.57	321.63	-0.67	-55.24
C=CCCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083262	0	35	-1.0	-54.88	318.90	-0.16	-55.04
CC(C#N)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083263	0	32	-1.0	-63.35	303.80	-1.19	-64.54
CC=C(C)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083264	0	35	-1.0	-56.79	311.61	-0.16	-56.95
CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083265	0	31	-1.0	-55.36	284.59	-1.48	-56.84
CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083266	0	28	-1.0	-55.44	264.29	-2.29	-57.73
O=C(NCC1(NC(=O)C2CC2)CC1)c1nsnc1[O-]	REAL250005083267	0	32	-1.0	-56.10	292.34	-1.26	-57.36
O=C(NCC1(NC(=O)C2CCC2)CC1)c1nsnc1[O-]	REAL250005083268	0	35	-1.0	-56.85	308.06	-0.72	-57.57
NC(=O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083269	0	29	-1.0	-51.70	279.95	-6.14	-57.84
C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083270	0	35	-1.0	-53.83	316.66	-0.00	-53.83
C[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083271	0	35	-1.0	-54.32	316.73	-0.58	-54.90
O=C(CO)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083272	0	29	-1.0	-59.69	274.63	-4.95	-64.64
O=C(NCC1(NC(=O)C2CCO2)CC1)c1nsnc1[O-]	REAL250005083273	0	33	-1.0	-58.40	303.25	-1.83	-60.23
O=C(NCC1(NC(=O)C2COC2)CC1)c1nsnc1[O-]	REAL250005083274	0	33	-1.0	-54.48	301.94	-3.50	-57.98
O=C(C=CCO)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083275	0	33	-1.0	-58.70	308.83	-4.73	-63.43
CCC=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083276	0	35	-1.0	-54.65	318.81	-0.60	-55.25
C#CCCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083277	0	33	-1.0	-55.15	311.88	-0.20	-55.35
C=CC(O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083278	0	33	-1.0	-54.03	305.46	-3.44	-57.47
CC(O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083279	0	32	-1.0	-55.16	295.74	-3.63	-58.79
CC(=O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083280	0	30	-1.0	-51.07	286.35	-2.35	-53.42
O=C(NC1(CNC(=O)c2nsnc2[O-])CC1)C1=CCC1	REAL250005083281	0	33	-1.0	-57.45	304.12	-0.11	-57.56
CC=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083282	0	32	-1.0	-55.46	298.16	-0.85	-56.31
[N-]=[N+]=NCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083283	0	30	-1.0	-56.78	293.27	-6.03	-62.81
C[C@H](O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083284	0	32	-1.0	-58.29	292.45	-4.26	-62.55
CON=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083285	0	32	-1.0	-57.04	306.62	-3.41	-60.45
C[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083286	0	35	-1.0	-53.83	316.66	-0.00	-53.83
C=C(C)CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083287	0	35	-1.0	-54.88	317.41	-0.31	-55.19
C=CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083288	0	32	-1.0	-55.05	297.51	-0.94	-55.99
CN(C)CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083289	0	36	-1.0	-55.72	316.67	-3.09	-58.81
N#CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083290	0	29	-1.0	-63.57	283.62	-2.30	-65.87
O=C(CCF)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083291	0	31	-1.0	-53.85	291.19	-1.34	-55.19
C[C@@H](O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083292	0	32	-1.0	-57.72	293.62	-3.62	-61.34
C=C1CC1C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083293	0	33	-1.0	-55.26	308.69	-0.14	-55.40
CC1=CC1C(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083294	0	33	-1.0	-56.89	308.63	0.02	-56.87
C=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CC1	REAL250005083295	0	29	-1.0	-55.42	276.44	-1.74	-57.16
C[C@H](O)C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083296	0	32	-1.0	-56.58	292.63	-4.26	-60.84
C=C1CC1C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083297	0	33	-1.0	-53.10	308.85	-0.10	-53.20
C=C(C)CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083298	0	35	-1.0	-52.68	319.04	-0.26	-52.94
CC=CC(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083299	0	32	-1.0	-53.33	298.35	-0.84	-54.17
C[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2nsnc2[O-])CC1	REAL250005083300	0	35	-1.0	-55.80	316.57	-0.57	-56.37
O=C(NC1(CNC(=O)C2(O)CC2)CC1)c1nsnc1[O-]	REAL250005083301	0	33	-1.0	-55.85	303.41	-4.50	-60.35
CC(=O)N1C2CCC1CN(C(=O)c1nsnc1[O-])CC2	REAL250005083302	0	35	-1.0	-60.47	278.56	1.25	-59.22
CC(=O)N1CCC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005083303	0	35	-1.0	-65.34	278.58	1.51	-63.83
CC(=O)N1CC2CCCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005083304	0	35	-1.0	-52.38	274.03	1.94	-50.44
CC(=O)N1C2CCCC1CN(C(=O)c1nsnc1[O-])C2	REAL250005083305	0	35	-1.0	-50.14	276.65	2.03	-48.11
CC(=O)N1CCC2(CCN(C(=O)c3nsnc3[O-])C2)C1	REAL250005083306	0	35	-1.0	-56.48	295.44	1.02	-55.46
CC(=O)N1CCC2(CCN(C(=O)c3nsnc3[O-])C2)C1	REAL250005083307	0	35	-1.0	-56.48	295.44	1.02	-55.46
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1C	REAL250005083308	0	37	-1.0	-47.74	306.33	0.45	-47.29
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1C	REAL250005083309	0	34	-1.0	-48.19	286.06	-0.35	-48.54
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005083310	0	37	-1.0	-50.61	303.32	0.51	-50.10
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005083311	0	34	-1.0	-50.86	283.03	-0.31	-51.17
C=CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005083312	0	35	-1.0	-50.76	295.17	0.24	-50.52
CCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083313	0	34	-1.0	-56.91	295.61	-0.21	-57.12
CC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083314	0	31	-1.0	-57.49	275.53	-1.04	-58.53
O=C(NCC1CCCN1C(=O)C1CC1)c1nsnc1[O-]	REAL250005083315	0	35	-1.0	-57.60	305.53	0.52	-57.08
CCCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083316	0	37	-1.0	-57.20	317.35	0.52	-56.68
CC(C)C(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083317	0	37	-1.0	-57.43	309.22	1.11	-56.32
NC(=O)C(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083318	0	32	-1.0	-52.37	288.91	-4.89	-57.26
C=CCC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083319	0	35	-1.0	-56.75	308.52	0.33	-56.42
O=C(CO)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083320	0	32	-1.0	-62.10	286.08	-3.14	-65.24
CCCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083321	0	37	-1.0	-59.85	313.69	0.77	-59.08
CC(C)C(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083322	0	37	-1.0	-59.81	311.71	0.68	-59.13
CCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083323	0	34	-1.0	-60.00	292.19	-0.00	-60.00
CC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083324	0	31	-1.0	-60.19	271.90	-0.82	-61.01
O=C(NCC1CCCN1C(=O)c1nsnc1[O-])C1CC1	REAL250005083325	0	35	-1.0	-60.02	303.73	0.75	-59.27
NC(=O)C(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083326	0	32	-1.0	-54.80	287.54	-4.66	-59.46
O=C(CO)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083327	0	32	-1.0	-64.96	282.66	-2.92	-67.88
CC(=O)C(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083328	0	33	-1.0	-54.72	294.44	-0.84	-55.56
CC=CC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083329	0	35	-1.0	-60.12	305.76	0.60	-59.52
C=CCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083330	0	35	-1.0	-60.12	305.10	0.54	-59.58
N#CCC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083331	0	32	-1.0	-67.92	291.65	-0.33	-68.25
C=CC(=O)NCC1CCCN1C(=O)c1nsnc1[O-]	REAL250005083332	0	32	-1.0	-60.23	284.03	-0.27	-60.50
CC=CC(=O)N1CCCC1CNC(=O)c1nsnc1[O-]	REAL250005083333	0	35	-1.0	-57.69	308.77	0.34	-57.35
CCC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])CC1	REAL250005083334	0	37	-1.0	-50.58	298.10	0.89	-49.69
CC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])CC1	REAL250005083335	0	34	-1.0	-52.06	277.86	0.06	-52.00
CCC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])CC1	REAL250005083336	0	37	-1.0	-47.02	301.36	0.54	-46.48
CC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])CC1	REAL250005083337	0	34	-1.0	-47.43	280.03	-0.28	-47.71
C=CC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])CC1	REAL250005083338	0	35	-1.0	-47.51	292.13	0.25	-47.26
CC(=O)NC(CNC(=O)c1nsnc1[O-])C1CCCC1	REAL250005083339	0	37	-1.0	-48.18	311.94	-0.50	-48.68
CC(=O)NCC(NC(=O)c1nsnc1[O-])C1CCCC1	REAL250005083340	0	37	-1.0	-47.59	312.06	-0.62	-48.21
CC(=O)N1CCC2CCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005083341	0	35	-1.0	-65.34	278.58	1.51	-63.83
CC(=O)N1C2CCC1CN(C(=O)c1nsnc1[O-])CC2	REAL250005083342	0	35	-1.0	-60.47	278.56	1.25	-59.22
CCC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083343	0	34	-1.0	-57.66	288.36	-0.28	-57.94
CC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083344	0	31	-1.0	-58.53	268.81	-1.14	-59.67
CC1(NC(=O)C2CC2)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083345	0	35	-1.0	-58.50	299.64	0.44	-58.06
CCCC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083346	0	37	-1.0	-57.55	309.86	0.48	-57.07
CC(C)C(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083347	0	37	-1.0	-58.34	308.66	0.35	-57.99
CC1(NC(=O)C(N)=O)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083348	0	32	-1.0	-56.39	284.46	-4.98	-61.37
C=CCC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083349	0	35	-1.0	-58.96	302.03	0.21	-58.75
CC1(NC(=O)CO)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083350	0	32	-1.0	-63.41	279.59	-3.36	-66.77
CCCC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083351	0	37	-1.0	-47.01	312.41	0.14	-46.87
CC(C)C(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083352	0	37	-1.0	-50.49	311.29	-0.08	-50.57
CCC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083353	0	34	-1.0	-47.31	290.92	-0.62	-47.93
CC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083354	0	31	-1.0	-60.44	270.94	-1.47	-61.91
CC1(NC(=O)c2nsnc2[O-])CCN(C(=O)C2CC2)C1	REAL250005083355	0	35	-1.0	-48.21	302.57	0.13	-48.08
CC1(NC(=O)c2nsnc2[O-])CCN(C(=O)C(N)=O)C1	REAL250005083356	0	32	-1.0	-53.83	284.81	-5.32	-59.15
CC1(NC(=O)c2nsnc2[O-])CCN(C(=O)CO)C1	REAL250005083357	0	32	-1.0	-65.72	282.98	-3.50	-69.22
CC(=O)C(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083358	0	33	-1.0	-52.76	290.81	-1.53	-54.29
CC=CC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083359	0	35	-1.0	-60.77	305.34	-0.05	-60.82
C=CCC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083360	0	35	-1.0	-48.13	305.50	-0.07	-48.20
CC1(NC(=O)c2nsnc2[O-])CCN(C(=O)CC#N)C1	REAL250005083361	0	32	-1.0	-68.39	291.97	-0.92	-69.31
C=CC(=O)N1CCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005083362	0	32	-1.0	-60.66	283.62	-0.93	-61.59
CC=CC(=O)NC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083363	0	35	-1.0	-58.74	302.68	0.30	-58.44
CCC(=O)N1CCC(C)(CNC(=O)c2nsnc2[O-])C1	REAL250005083364	0	37	-1.0	-51.80	316.69	0.31	-51.49
CC(=O)N1CCC(C)(CNC(=O)c2nsnc2[O-])C1	REAL250005083365	0	34	-1.0	-53.93	294.80	-0.54	-54.47
CCC(=O)NCC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083366	0	37	-1.0	-52.10	311.51	0.59	-51.51
CC(=O)NCC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083367	0	34	-1.0	-52.57	291.20	-0.22	-52.79
C=CC(=O)NCC1(C)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083368	0	35	-1.0	-52.53	303.36	0.30	-52.23
CC(=O)NCC1(C)CCN(C(=O)c2nsnc2[O-])CC1	REAL250005083369	0	37	-1.0	-55.16	298.64	0.37	-54.79
CC(=O)N1CCC(C)(CNC(=O)c2nsnc2[O-])CC1	REAL250005083370	0	37	-1.0	-51.85	300.49	0.14	-51.71
CC(=O)NCC1(C)CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083371	0	37	-1.0	-49.72	300.74	0.76	-48.96
CC(=O)N1CCCC(C)(CNC(=O)c2nsnc2[O-])C1	REAL250005083372	0	37	-1.0	-54.52	303.86	0.62	-53.90
CC(=O)NCC1(O)CCN(C(=O)c2nsnc2[O-])C1	REAL250005083373	0	32	-1.0	-53.98	284.48	-4.03	-58.01
CC(=O)N1CCC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083374	0	32	-1.0	-53.96	286.89	-4.23	-58.19
C=CC(=O)N1CCC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083375	0	33	-1.0	-53.88	298.10	-3.75	-57.63
CCC(=O)NCC1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005083376	0	32	-1.0	-57.32	290.08	-4.02	-61.34
CC(=O)NCC1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005083377	0	29	-1.0	-57.81	269.13	-4.84	-62.65
O=C(NCC1(O)CN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005083378	0	33	-1.0	-56.90	300.60	-3.25	-60.15
C=CCC(=O)NCC1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005083379	0	33	-1.0	-57.55	302.99	-3.48	-61.03
O=C(CO)NCC1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005083380	0	30	-1.0	-61.82	280.55	-6.94	-68.76
CCC(=O)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083381	0	32	-1.0	-51.25	291.89	-4.05	-55.30
CC(=O)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083382	0	29	-1.0	-51.61	271.48	-4.91	-56.52
O=C(NCC1(O)CN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005083383	0	33	-1.0	-51.34	302.37	-3.28	-54.62
O=C(CO)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083384	0	30	-1.0	-55.85	282.26	-6.99	-62.84
CC=CC(=O)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083385	0	33	-1.0	-51.65	305.22	-3.51	-55.16
C=CCC(=O)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083386	0	33	-1.0	-51.27	304.71	-3.56	-54.83
N#CCC(=O)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083387	0	30	-1.0	-58.34	291.26	-4.42	-62.76
C=CC(=O)N1CC(O)(CNC(=O)c2nsnc2[O-])C1	REAL250005083388	0	30	-1.0	-51.79	283.51	-4.39	-56.18
CC=CC(=O)NCC1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005083389	0	33	-1.0	-57.11	303.65	-3.42	-60.53
CC(=O)NC1CC2CC(C1)N(C(=O)c1nsnc1[O-])C2	REAL250005083390	0	35	-1.0	-70.15	291.27	0.45	-69.70
CC(=O)N1CC2CC1CC(NC(=O)c1nsnc1[O-])C2	REAL250005083391	0	35	-1.0	-61.78	293.27	0.25	-61.53
CCC(=O)N1CCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005083392	0	37	-1.0	-56.61	318.96	0.48	-56.13
CC(=O)N1CCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005083393	0	34	-1.0	-56.85	297.20	-0.39	-57.24
CCC(=O)NC(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005083394	0	37	-1.0	-54.24	315.09	0.58	-53.66
CC(=O)NC(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005083395	0	34	-1.0	-54.57	294.49	-0.22	-54.79
C=CC(=O)NC(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005083396	0	35	-1.0	-54.71	306.93	0.31	-54.40
CCC(=O)N1CC(C)C(CNC(=O)c2nsnc2[O-])C1	REAL250005083397	0	37	-1.0	-58.39	312.47	0.16	-58.23
CC(=O)N1CC(C)C(CNC(=O)c2nsnc2[O-])C1	REAL250005083398	0	34	-1.0	-58.47	291.22	-0.68	-59.15
CCC(=O)NCC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083399	0	37	-1.0	-51.83	309.25	0.31	-51.52
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083400	0	34	-1.0	-52.13	288.65	-0.50	-52.63
C=CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083401	0	35	-1.0	-52.22	301.10	0.02	-52.20
CCC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005083402	0	35	-1.0	-56.60	295.72	1.26	-55.34
CC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005083403	0	32	-1.0	-60.34	273.23	0.34	-60.00
O=C(CO)N1C[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]2C1	REAL250005083404	0	33	-1.0	-65.77	285.81	-1.70	-67.47
CCC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005083405	0	35	-1.0	-56.60	295.72	1.26	-55.34
CC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005083406	0	32	-1.0	-60.34	273.23	0.34	-60.00
O=C(CO)N1C[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]2C1	REAL250005083407	0	33	-1.0	-65.77	285.81	-1.70	-67.47
C=CC(=O)N1C[C@@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005083408	0	33	-1.0	-57.16	286.90	0.93	-56.23
CC(=O)N1CCCC2C1CCN2C(=O)c1nsnc1[O-]	REAL250005083409	0	35	-1.0	-52.84	284.32	1.15	-51.69
CC(=O)N1CCC2C1CCCN2C(=O)c1nsnc1[O-]	REAL250005083410	0	35	-1.0	-49.49	284.40	1.13	-48.36
CC(=O)N1CCC[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]21	REAL250005083411	0	35	-1.0	-55.40	282.39	0.94	-54.46
CC(=O)N1C[C@@H]2CCCN(C(=O)c3nsnc3[O-])[C@@H]2C1	REAL250005083412	0	35	-1.0	-48.62	285.58	1.45	-47.17
CCC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005083413	0	37	-1.0	-51.61	320.21	0.40	-51.21
CC(=O)N1CCC(CCNC(=O)c2nsnc2[O-])C1	REAL250005083414	0	34	-1.0	-57.44	298.01	-0.54	-57.98
CCC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005083415	0	37	-1.0	-59.96	316.99	0.57	-59.39
CC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005083416	0	34	-1.0	-60.13	296.68	-0.24	-60.37
C=CC(=O)NCCC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005083417	0	35	-1.0	-60.03	308.84	0.29	-59.74
CC(=O)N[C@H]1CC[C@H](CNC(=O)c2nsnc2[O-])CC1	REAL250005083418	0	37	-1.0	-54.14	315.83	-0.74	-54.88
CC(=O)NC[C@H]1CC[C@H](NC(=O)c2nsnc2[O-])CC1	REAL250005083419	0	37	-1.0	-53.77	315.83	-0.75	-54.52
CC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])CC2	REAL250005083420	0	35	-1.0	-53.66	294.84	1.22	-52.44
CC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005083421	0	35	-1.0	-53.81	295.24	1.11	-52.70
CC(=O)NCC1COCCN1C(=O)c1nsnc1[O-]	REAL250005083422	0	32	-1.0	-49.62	271.57	-1.77	-51.39
CC(=O)N1CCOCC1CNC(=O)c1nsnc1[O-]	REAL250005083423	0	32	-1.0	-58.19	275.57	-2.72	-60.91
C=CC(=O)N1CCOCC1CNC(=O)c1nsnc1[O-]	REAL250005083424	0	33	-1.0	-58.19	285.84	-1.30	-59.49
CCC(=O)N1CCCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005083425	0	37	-1.0	-58.98	304.93	0.50	-58.48
CC(=O)N1CCCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005083426	0	34	-1.0	-58.40	282.74	0.60	-57.80
CCC(=O)NC[C@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005083427	0	37	-1.0	-53.62	300.38	1.29	-52.33
CC(=O)NC[C@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005083428	0	34	-1.0	-53.52	280.13	0.46	-53.06
C=CC(=O)NC[C@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005083429	0	35	-1.0	-53.01	292.55	1.11	-51.90
CCC(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083430	0	34	-1.0	-55.44	297.83	-1.19	-56.63
CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083431	0	31	-1.0	-55.55	277.23	-2.01	-57.56
O=C(NC1(CNC(=O)C2CC2)CCC1)c1nsnc1[O-]	REAL250005083432	0	35	-1.0	-54.34	308.26	-0.41	-54.75
CCCC(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083433	0	37	-1.0	-55.33	319.32	-0.43	-55.76
CC(C)C(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083434	0	37	-1.0	-55.23	317.37	-0.53	-55.76
NC(=O)C(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083435	0	32	-1.0	-52.90	293.17	-5.87	-58.77
C=CCC(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083436	0	35	-1.0	-55.75	310.74	-0.65	-56.40
O=C(CO)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083437	0	32	-1.0	-59.94	288.29	-4.11	-64.05
CCCC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083438	0	37	-1.0	-54.95	319.33	-0.35	-55.30
CC(C)C(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083439	0	37	-1.0	-54.58	317.66	-0.47	-55.05
CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083440	0	34	-1.0	-55.08	298.74	-1.41	-56.49
CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083441	0	31	-1.0	-55.01	277.24	-1.94	-56.95
O=C(NCC1(NC(=O)C2CC2)CCC1)c1nsnc1[O-]	REAL250005083442	0	35	-1.0	-55.88	308.27	-0.29	-56.17
NC(=O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083443	0	32	-1.0	-51.55	293.18	-5.79	-57.34
O=C(CO)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083444	0	32	-1.0	-59.86	288.30	-4.11	-63.97
CC(=O)C(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083445	0	33	-1.0	-50.94	299.63	-2.02	-52.96
CC=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083446	0	35	-1.0	-54.90	311.44	-0.52	-55.42
C=CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083447	0	35	-1.0	-54.55	310.79	-0.60	-55.15
N#CCC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083448	0	32	-1.0	-63.53	297.29	-1.43	-64.96
C=CC(=O)NC1(CNC(=O)c2nsnc2[O-])CCC1	REAL250005083449	0	32	-1.0	-55.10	289.66	-1.39	-56.49
CC=CC(=O)NCC1(NC(=O)c2nsnc2[O-])CCC1	REAL250005083450	0	35	-1.0	-55.88	311.40	-0.59	-56.47
CC(=O)N1CCOC(CNC(=O)c2nsnc2[O-])C1	REAL250005083451	0	32	-1.0	-53.92	284.37	-2.55	-56.47
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CCO1	REAL250005083452	0	32	-1.0	-51.77	281.50	-2.33	-54.10
C=CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CCO1	REAL250005083453	0	33	-1.0	-51.70	293.66	-1.81	-53.51
CCC(=O)NC1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005083454	0	37	-1.0	-63.66	302.69	1.20	-62.46
CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005083455	0	34	-1.0	-63.70	282.40	0.38	-63.32
CCC(=O)N1CCCC(NC(=O)c2nsnc2[O-])CC1	REAL250005083456	0	37	-1.0	-54.74	306.77	0.85	-53.89
CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])CC1	REAL250005083457	0	34	-1.0	-48.45	284.45	-0.02	-48.47
C=CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])CC1	REAL250005083458	0	35	-1.0	-48.53	297.42	0.53	-48.00
CCC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083459	0	36	-1.0	-51.79	310.31	1.97	-49.82
CC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083460	0	33	-1.0	-52.10	290.00	1.18	-50.92
CN(CCCN(C)C(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005083461	0	37	-1.0	-64.28	320.47	2.68	-61.60
C=CCC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083462	0	37	-1.0	-51.61	323.22	2.51	-49.10
CN(CCCN(C)C(=O)c1nsnc1[O-])C(=O)CO	REAL250005083463	0	34	-1.0	-55.91	300.78	-0.92	-56.83
CCC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083464	0	36	-1.0	-51.79	310.31	1.97	-49.82
CC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083465	0	33	-1.0	-52.10	290.00	1.18	-50.92
CN(CCCN(C)C(=O)C1CC1)C(=O)c1nsnc1[O-]	REAL250005083466	0	37	-1.0	-64.28	320.47	2.68	-61.60
CN(CCCN(C)C(=O)c1nsnc1[O-])C(=O)CO	REAL250005083467	0	34	-1.0	-55.91	300.78	-0.92	-56.83
CC=CC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083468	0	37	-1.0	-52.14	323.06	2.56	-49.58
C=CCC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083469	0	37	-1.0	-51.61	323.22	2.51	-49.10
CN(CCCN(C)C(=O)c1nsnc1[O-])C(=O)CC#N	REAL250005083470	0	34	-1.0	-58.22	309.77	1.65	-56.57
C=CC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083471	0	34	-1.0	-52.31	301.34	1.69	-50.62
CC=CC(=O)N(C)CCCN(C)C(=O)c1nsnc1[O-]	REAL250005083472	0	37	-1.0	-52.14	323.06	2.56	-49.58
CC(=O)N1CCOC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005083473	0	33	-1.0	-57.31	286.39	-1.29	-58.60
CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])CCO2	REAL250005083474	0	33	-1.0	-48.91	286.57	-1.13	-50.04
CC(=O)NC1COC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005083475	0	33	-1.0	-58.84	295.65	-2.33	-61.17
CC(=O)N1CC2(C1)CC(NC(=O)c1nsnc1[O-])CO2	REAL250005083476	0	33	-1.0	-55.74	297.86	-2.43	-58.17
CCC1(NC(=O)c2nsnc2[O-])CCN(C(C)=O)CC1	REAL250005083477	0	37	-1.0	-55.42	296.22	0.64	-54.78
CCC1(NC(C)=O)CCN(C(=O)c2nsnc2[O-])CC1	REAL250005083478	0	37	-1.0	-51.27	296.79	0.22	-51.05
CCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083479	0	34	-1.0	-61.75	291.81	-0.18	-61.93
CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083480	0	31	-1.0	-47.86	269.82	-1.06	-48.92
O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005083481	0	35	-1.0	-54.91	301.62	0.54	-54.37
CCCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083482	0	37	-1.0	-54.79	313.36	0.58	-54.21
CC(C)C(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083483	0	37	-1.0	-54.98	310.27	0.28	-54.70
NC(=O)C(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083484	0	32	-1.0	-54.34	284.62	-5.00	-59.34
C=CCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083485	0	35	-1.0	-61.84	304.73	0.35	-61.49
O=C(CO)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083486	0	32	-1.0	-67.33	282.32	-3.09	-70.42
CCCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083487	0	37	-1.0	-62.07	310.04	0.75	-61.32
CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083488	0	37	-1.0	-59.37	308.47	0.69	-58.68
CCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083489	0	34	-1.0	-61.64	288.77	0.00	-61.64
CC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083490	0	31	-1.0	-57.80	268.11	-0.83	-58.63
O=C(N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005083491	0	35	-1.0	-62.50	299.49	0.79	-61.71
NC(=O)C(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083492	0	32	-1.0	-56.22	284.30	-4.64	-60.86
O=C(CO)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083493	0	32	-1.0	-67.24	279.21	-2.92	-70.16
CC(=O)C(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083494	0	33	-1.0	-56.01	291.69	-0.83	-56.84
CC=CC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083495	0	35	-1.0	-57.65	302.28	0.62	-57.03
C=CCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083496	0	35	-1.0	-61.83	301.65	0.54	-61.29
N#CCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083497	0	32	-1.0	-71.30	288.21	-0.32	-71.62
C=CC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083498	0	32	-1.0	-62.64	280.80	-0.23	-62.87
CC=CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005083499	0	35	-1.0	-62.49	304.33	0.39	-62.10
CCC(=O)N1CC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005083500	0	34	-1.0	-46.44	298.95	-0.31	-46.75
CC(=O)N1CC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005083501	0	31	-1.0	-47.50	277.73	-1.17	-48.67
CC1CN(C(=O)C2CC2)CC1NC(=O)c1nsnc1[O-]	REAL250005083502	0	35	-1.0	-47.39	305.43	0.74	-46.65
CCCC(=O)N1CC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005083503	0	37	-1.0	-47.62	315.99	0.71	-46.91
CC(C)C(=O)N1CC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005083504	0	37	-1.0	-56.65	313.29	0.44	-56.21
CC1CN(C(=O)C(N)=O)CC1NC(=O)c1nsnc1[O-]	REAL250005083505	0	32	-1.0	-51.95	287.02	-4.73	-56.68
C=CCC(=O)N1CC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005083506	0	35	-1.0	-46.49	311.86	0.23	-46.26
CC1CN(C(=O)CO)CC1NC(=O)c1nsnc1[O-]	REAL250005083507	0	32	-1.0	-49.93	289.41	-3.20	-53.13
CCCC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083508	0	37	-1.0	-56.15	316.38	0.67	-55.48
CC(C)C(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083509	0	37	-1.0	-55.80	314.44	0.56	-55.24
CCC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083510	0	34	-1.0	-56.33	294.88	-0.10	-56.43
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083511	0	31	-1.0	-52.65	271.17	-0.60	-53.25
CC1CN(C(=O)c2nsnc2[O-])CC1NC(=O)C1CC1	REAL250005083512	0	35	-1.0	-53.07	302.63	0.99	-52.08
CC1CN(C(=O)c2nsnc2[O-])CC1NC(=O)C(N)=O	REAL250005083513	0	32	-1.0	-52.64	290.23	-4.77	-57.41
CC1CN(C(=O)c2nsnc2[O-])CC1NC(=O)CO	REAL250005083514	0	32	-1.0	-61.18	285.35	-3.02	-64.20
CC(=O)C(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083515	0	33	-1.0	-52.12	297.14	-0.96	-53.08
CC=CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083516	0	35	-1.0	-56.14	308.45	0.51	-55.63
C=CCC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083517	0	35	-1.0	-56.55	307.79	0.44	-56.11
CC1CN(C(=O)c2nsnc2[O-])CC1NC(=O)CC#N	REAL250005083518	0	32	-1.0	-65.86	294.34	-0.43	-66.29
C=CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC1C	REAL250005083519	0	32	-1.0	-56.24	286.73	-0.38	-56.62
CC=CC(=O)N1CC(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005083520	0	35	-1.0	-48.38	307.29	0.54	-47.84
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1(C)C	REAL250005083521	0	37	-1.0	-51.48	299.95	0.88	-50.60
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C(C)(C)C1	REAL250005083522	0	37	-1.0	-52.97	302.14	0.64	-52.33
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005083523	0	37	-1.0	-50.61	303.32	0.51	-50.10
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005083524	0	34	-1.0	-50.86	283.03	-0.31	-51.17
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1C	REAL250005083525	0	37	-1.0	-47.74	306.33	0.45	-47.29
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1C	REAL250005083526	0	34	-1.0	-48.19	286.06	-0.35	-48.54
C=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])CC1C	REAL250005083527	0	35	-1.0	-48.09	297.07	0.11	-47.98
CCC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083528	0	33	-1.0	-57.54	296.25	-1.58	-59.12
CC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083529	0	30	-1.0	-57.70	275.96	-2.40	-60.10
C[C@@H](CCNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005083530	0	34	-1.0	-57.31	306.77	-0.81	-58.12
C[C@@H](CCNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005083531	0	37	-1.0	-57.26	322.98	-0.31	-57.57
C[C@@H](CCNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005083532	0	37	-1.0	-57.78	327.19	-0.04	-57.82
COCC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083533	0	34	-1.0	-60.90	308.97	-2.21	-63.11
CCCC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083534	0	36	-1.0	-57.37	317.75	-0.81	-58.18
C[C@@H](CCNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005083535	0	37	-1.0	-57.34	328.14	-0.14	-57.48
CC(C)=CC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083536	0	37	-1.0	-56.53	325.73	-0.27	-56.80
CC(C)C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083537	0	36	-1.0	-57.15	315.80	-0.91	-58.06
C=CCCC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083538	0	37	-1.0	-57.15	330.56	-0.25	-57.40
CC=C(C)C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083539	0	37	-1.0	-57.81	324.57	-0.30	-58.11
C[C@@H](CCNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005083540	0	37	-1.0	-57.28	324.52	-0.21	-57.49
C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083541	0	37	-1.0	-57.32	328.15	-0.14	-57.46
C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083542	0	37	-1.0	-57.36	328.15	-0.14	-57.50
C[C@@H](CCNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005083543	0	31	-1.0	-53.08	291.60	-6.25	-59.33
C=CCC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083544	0	34	-1.0	-57.56	309.16	-1.04	-58.60
CCC=CC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083545	0	37	-1.0	-57.38	330.92	-0.21	-57.59
C[C@@H](CCNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005083546	0	32	-1.0	-59.78	305.37	-5.63	-65.41
C[C@@H](CCNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005083547	0	31	-1.0	-62.64	286.72	-4.50	-67.14
CC(O)C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083548	0	34	-1.0	-58.04	307.05	-3.71	-61.75
C[C@@H](CCNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005083549	0	33	-1.0	-55.86	302.84	-1.44	-57.30
C#CCCC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083550	0	35	-1.0	-56.96	323.53	-0.30	-57.26
CC1=CC1C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083551	0	35	-1.0	-57.82	321.80	-0.10	-57.92
C[C@@H](O)C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083552	0	34	-1.0	-57.95	307.05	-3.71	-61.66
C[C@@H](CCNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005083553	0	35	-1.0	-58.23	317.25	-0.23	-58.46
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005083554	0	37	-1.0	-52.35	327.20	-0.03	-52.38
COCC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083555	0	34	-1.0	-55.38	308.98	-2.20	-57.58
CCCC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083556	0	36	-1.0	-52.09	317.75	-0.80	-52.89
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005083557	0	37	-1.0	-52.37	328.15	-0.13	-52.50
CC(C)=CC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083558	0	37	-1.0	-51.85	325.63	-0.27	-52.12
CC(C)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083559	0	36	-1.0	-52.04	315.78	-0.91	-52.95
C=CCCC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083560	0	37	-1.0	-51.83	330.56	-0.24	-52.07
CC(C#N)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083561	0	34	-1.0	-57.75	315.23	-1.28	-59.03
CC=C(C)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083562	0	37	-1.0	-52.81	324.56	-0.27	-53.08
CCC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083563	0	33	-1.0	-52.35	296.25	-1.57	-53.92
CC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083564	0	30	-1.0	-52.62	275.96	-2.39	-55.01
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005083565	0	34	-1.0	-52.41	306.77	-0.80	-53.21
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005083566	0	37	-1.0	-52.22	322.98	-0.29	-52.51
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005083567	0	31	-1.0	-52.62	291.60	-6.23	-58.85
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005083568	0	37	-1.0	-52.38	324.54	-0.20	-52.58
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005083569	0	37	-1.0	-52.37	328.14	-0.13	-52.50
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005083570	0	37	-1.0	-52.37	328.14	-0.13	-52.50
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005083571	0	31	-1.0	-56.85	286.72	-4.49	-61.34
CCC=CC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083572	0	37	-1.0	-52.43	330.91	-0.19	-52.62
C#CCCC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083573	0	35	-1.0	-52.41	323.54	-0.29	-52.70
CC(O)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083574	0	34	-1.0	-52.27	307.05	-3.72	-55.99
CC(=O)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083575	0	32	-1.0	-51.26	298.51	-2.43	-53.69
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005083576	0	35	-1.0	-53.41	316.72	-0.29	-53.70
CC=CC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083577	0	34	-1.0	-52.67	309.82	-0.95	-53.62
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005083578	0	32	-1.0	-54.43	305.37	-5.61	-60.04
C[C@H](O)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083579	0	34	-1.0	-52.26	307.05	-3.71	-55.97
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005083580	0	37	-1.0	-52.37	328.14	-0.13	-52.50
C=C(C)CC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083581	0	37	-1.0	-52.26	330.78	-0.37	-52.63
C=CCC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083582	0	34	-1.0	-52.29	309.17	-1.03	-53.32
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005083583	0	31	-1.0	-59.56	295.72	-1.89	-61.45
C[C@@H](CCNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005083584	0	33	-1.0	-51.48	302.84	-1.43	-52.91
C[C@@H](O)C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083585	0	34	-1.0	-56.51	307.42	-3.73	-60.24
C=C1CC1C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083586	0	35	-1.0	-52.48	320.33	-0.23	-52.71
CC1=CC1C(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083587	0	35	-1.0	-53.63	321.82	-0.10	-53.73
C=CC(=O)N[C@@H](C)CCNC(=O)c1nsnc1[O-]	REAL250005083588	0	31	-1.0	-52.80	288.10	-1.84	-54.64
C[C@H](O)C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083589	0	34	-1.0	-58.04	307.05	-3.71	-61.75
C=C1CC1C(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083590	0	35	-1.0	-57.07	320.34	-0.24	-57.31
C=C(C)CC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083591	0	37	-1.0	-57.15	330.81	-0.37	-57.52
CC=CC(=O)NCC[C@H](C)NC(=O)c1nsnc1[O-]	REAL250005083592	0	34	-1.0	-57.52	309.83	-0.97	-58.49
C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083593	0	37	-1.0	-57.32	328.15	-0.14	-57.46
CC(=O)N(C)C1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005083594	0	37	-1.0	-65.38	297.02	2.31	-63.07
CC(=O)N1CCCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005083595	0	37	-1.0	-51.34	297.82	2.24	-49.10
CCC(=O)N(CC)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083596	0	34	-1.0	-55.11	288.90	0.67	-54.44
CCN(C(C)=O)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083597	0	31	-1.0	-66.17	267.00	1.27	-64.90
CCN(C(=O)C1CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083598	0	35	-1.0	-54.39	297.49	1.51	-52.88
CCCC(=O)N(CC)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083599	0	37	-1.0	-54.85	310.40	1.43	-53.42
CCN(C(=O)C(C)C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083600	0	37	-1.0	-56.80	307.80	1.46	-55.34
CCN(C(=O)C(N)=O)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083601	0	32	-1.0	-59.52	278.69	-2.50	-62.02
C=CCC(=O)N(CC)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083602	0	35	-1.0	-55.02	301.81	1.21	-53.81
CCN(C(=O)CO)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083603	0	32	-1.0	-59.77	279.37	-2.23	-62.00
CCCC(=O)N1CC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005083604	0	37	-1.0	-53.20	310.32	2.16	-51.04
CCN(C(=O)c1nsnc1[O-])C1CN(C(=O)C(C)C)C1	REAL250005083605	0	37	-1.0	-53.87	309.19	1.92	-51.95
CCC(=O)N1CC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005083606	0	34	-1.0	-53.29	288.83	1.39	-51.90
CCN(C(=O)c1nsnc1[O-])C1CN(C(C)=O)C1	REAL250005083607	0	31	-1.0	-53.15	267.36	0.46	-52.69
CCN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2CC2)C1	REAL250005083608	0	35	-1.0	-53.69	299.36	2.15	-51.54
CCN(C(=O)c1nsnc1[O-])C1CN(C(=O)C(N)=O)C1	REAL250005083609	0	32	-1.0	-60.53	279.40	-2.38	-62.91
CCN(C(=O)c1nsnc1[O-])C1CN(C(=O)CO)C1	REAL250005083610	0	32	-1.0	-57.39	279.30	-1.50	-58.89
CCN(C(=O)c1nsnc1[O-])C1CN(C(=O)C(C)=O)C1	REAL250005083611	0	33	-1.0	-52.28	288.89	0.44	-51.84
CC=CC(=O)N1CC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005083612	0	35	-1.0	-61.67	299.55	2.97	-58.70
C=CCC(=O)N1CC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005083613	0	35	-1.0	-52.99	301.74	1.93	-51.06
CCN(C(=O)c1nsnc1[O-])C1CN(C(=O)CC#N)C1	REAL250005083614	0	32	-1.0	-58.18	288.29	1.06	-57.12
C=CC(=O)N1CC(N(CC)C(=O)c2nsnc2[O-])C1	REAL250005083615	0	32	-1.0	-60.78	277.83	2.10	-58.68
CC=CC(=O)N(CC)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005083616	0	35	-1.0	-67.57	301.64	2.68	-64.89
CCC(=O)N1CCCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005083617	0	37	-1.0	-58.96	304.60	0.45	-58.51
CC(=O)N1CCCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005083618	0	34	-1.0	-58.82	281.73	0.53	-58.29
CCC(=O)NC[C@@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005083619	0	37	-1.0	-51.73	300.51	1.41	-50.32
CC(=O)NC[C@@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005083620	0	34	-1.0	-52.41	280.35	0.58	-51.83
C=CC(=O)NC[C@@H]1CCCCN1C(=O)c1nsnc1[O-]	REAL250005083621	0	35	-1.0	-53.53	292.46	1.00	-52.53
CCC(=O)NCC12CC(C1)CN2C(=O)c1nsnc1[O-]	REAL250005083622	0	35	-1.0	-52.25	297.97	1.20	-51.05
CC(=O)NCC12CC(C1)CN2C(=O)c1nsnc1[O-]	REAL250005083623	0	32	-1.0	-52.24	277.66	0.39	-51.85
O=C(CO)NCC12CC(C1)CN2C(=O)c1nsnc1[O-]	REAL250005083624	0	33	-1.0	-55.47	288.44	-1.72	-57.19
CCC(=O)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005083625	0	35	-1.0	-60.58	300.85	1.16	-59.42
CC(=O)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005083626	0	32	-1.0	-60.22	279.64	0.39	-59.83
O=C(CO)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005083627	0	33	-1.0	-66.08	291.32	-1.88	-67.96
C=CC(=O)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005083628	0	33	-1.0	-60.82	292.15	0.87	-59.95
CCC(=O)NC1C2CCCN(C(=O)c3nsnc3[O-])C21	REAL250005083629	0	35	-1.0	-61.93	292.25	1.72	-60.21
CC(=O)NC1C2CCCN(C(=O)c3nsnc3[O-])C21	REAL250005083630	0	32	-1.0	-56.97	279.11	-0.08	-57.05
O=C(CO)NC1C2CCCN(C(=O)c3nsnc3[O-])C21	REAL250005083631	0	33	-1.0	-67.24	282.72	-1.19	-68.43
CCC(=O)N1CCCC2C(NC(=O)c3nsnc3[O-])C21	REAL250005083632	0	35	-1.0	-50.03	293.71	1.30	-48.73
CC(=O)N1CCCC2C(NC(=O)c3nsnc3[O-])C21	REAL250005083633	0	32	-1.0	-51.64	272.17	0.49	-51.15
O=C(CO)N1CCCC2C(NC(=O)c3nsnc3[O-])C21	REAL250005083634	0	33	-1.0	-54.05	284.18	-1.58	-55.63
C=CC(=O)N1CCCC2C(NC(=O)c3nsnc3[O-])C21	REAL250005083635	0	33	-1.0	-51.44	284.97	1.04	-50.40
CCC(=O)N[C@H]1CCCCN(C(=O)c2nsnc2[O-])C1	REAL250005083636	0	37	-1.0	-61.22	295.20	1.48	-59.74
CC(=O)N[C@H]1CCCCN(C(=O)c2nsnc2[O-])C1	REAL250005083637	0	34	-1.0	-61.82	273.36	0.71	-61.11
CCC(=O)N1CCCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005083638	0	37	-1.0	-64.51	307.41	0.80	-63.71
CC(=O)N1CCCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005083639	0	34	-1.0	-53.66	285.98	0.05	-53.61
C=CC(=O)N1CCCC[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005083640	0	35	-1.0	-48.06	295.58	0.45	-47.61
CC(=O)NC1CC2CCC1N(C(=O)c1nsnc1[O-])C2	REAL250005083641	0	35	-1.0	-58.10	288.50	0.47	-57.63
CC(=O)N1CC2CCC1C(NC(=O)c1nsnc1[O-])C2	REAL250005083642	0	35	-1.0	-53.67	294.82	0.44	-53.23
CC(=O)N[C@H]1CCOC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083643	0	32	-1.0	-50.28	281.83	-3.18	-53.46
CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005083644	0	32	-1.0	-48.57	282.66	-3.39	-51.96
C=CC(=O)N[C@@H]1COCC[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005083645	0	33	-1.0	-46.54	294.28	-2.64	-49.18
CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083646	0	34	-1.0	-49.48	297.56	-1.11	-50.59
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083647	0	31	-1.0	-49.70	276.96	-1.91	-51.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC1)c1nsnc1[O-]	REAL250005083648	0	35	-1.0	-48.40	308.31	-0.37	-48.77
CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083649	0	37	-1.0	-49.22	319.06	-0.34	-49.56
CC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083650	0	37	-1.0	-47.62	318.27	-0.56	-48.18
NC(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083651	0	32	-1.0	-49.73	293.15	-5.83	-55.56
C=CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083652	0	35	-1.0	-49.56	310.46	-0.57	-50.13
O=C(CO)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083653	0	32	-1.0	-53.50	288.03	-4.04	-57.54
CCCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083654	0	37	-1.0	-49.22	319.06	-0.34	-49.56
CC(C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083655	0	37	-1.0	-47.62	318.27	-0.56	-48.18
CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083656	0	34	-1.0	-49.48	297.56	-1.11	-50.59
CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083657	0	31	-1.0	-49.70	276.96	-1.91	-51.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1CC1)c1nsnc1[O-]	REAL250005083658	0	35	-1.0	-48.40	308.31	-0.37	-48.77
NC(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083659	0	32	-1.0	-49.73	293.15	-5.83	-55.56
O=C(CO)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083660	0	32	-1.0	-53.50	288.03	-4.04	-57.54
CC(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083661	0	33	-1.0	-48.74	300.30	-1.96	-50.70
CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083662	0	35	-1.0	-48.17	312.32	-0.63	-48.80
C=CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083663	0	35	-1.0	-49.56	310.46	-0.57	-50.13
N#CCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083664	0	32	-1.0	-56.28	297.02	-1.44	-57.72
C=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083665	0	32	-1.0	-49.00	289.65	-1.42	-50.42
CC=CC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1nsnc1[O-]	REAL250005083666	0	35	-1.0	-48.17	312.32	-0.63	-48.80
CC(=O)N[C@]12CCC[C@H]1N(C(=O)c1nsnc1[O-])CC2	REAL250005083667	0	35	-1.0	-50.24	290.35	-0.04	-50.28
CC(=O)N1CC[C@@]2(NC(=O)c3nsnc3[O-])CCC[C@@H]12	REAL250005083668	0	35	-1.0	-48.06	291.45	-0.39	-48.45
CCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005083669	0	35	-1.0	-60.31	298.61	0.62	-59.69
CC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005083670	0	32	-1.0	-60.53	278.16	-0.19	-60.72
O=C(CO)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005083671	0	33	-1.0	-65.41	289.18	-2.31	-67.72
CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nsnc3[O-])[C@H]1C2	REAL250005083672	0	35	-1.0	-56.48	302.08	0.50	-55.98
CC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nsnc3[O-])[C@H]1C2	REAL250005083673	0	32	-1.0	-56.62	280.09	-0.45	-57.07
O=C(CO)N1C[C@@H]2C[C@@H](NC(=O)c3nsnc3[O-])[C@H]1C2	REAL250005083674	0	33	-1.0	-62.15	292.32	-2.44	-64.59
C=CC(=O)N1C[C@@H]2C[C@@H](NC(=O)c3nsnc3[O-])[C@H]1C2	REAL250005083675	0	33	-1.0	-57.29	292.73	0.13	-57.16
CC(=O)NC1C2CCCCN(C(=O)c3nsnc3[O-])C21	REAL250005083676	0	35	-1.0	-67.47	292.87	1.17	-66.30
CC(=O)N1CCCCC2C(NC(=O)c3nsnc3[O-])C21	REAL250005083677	0	35	-1.0	-50.02	290.91	0.51	-49.51
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC12CCC2	REAL250005083678	0	35	-1.0	-49.14	282.64	1.11	-48.03
CC(=O)N1CCN(C(=O)c2nsnc2[O-])C2(CCC2)C1	REAL250005083679	0	35	-1.0	-49.46	282.79	1.07	-48.39
CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083680	0	32	-1.0	-61.31	285.02	-0.53	-61.84
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083681	0	29	-1.0	-61.21	263.06	-1.42	-62.63
O=C(N[C@]12C[C@H]1CN(C(=O)C1CC1)C2)c1nsnc1[O-]	REAL250005083682	0	33	-1.0	-61.28	295.40	0.19	-61.09
COCC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083683	0	33	-1.0	-64.73	298.37	-1.10	-65.83
CCCC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083684	0	35	-1.0	-61.17	306.52	0.23	-60.94
CC(C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083685	0	35	-1.0	-60.58	305.28	-0.03	-60.61
NC(=O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083686	0	30	-1.0	-53.10	277.65	-5.22	-58.32
C=CCC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083687	0	33	-1.0	-61.00	298.50	0.02	-60.98
O=C(CO)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083688	0	30	-1.0	-67.24	276.40	-3.44	-70.68
CC(O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083689	0	33	-1.0	-65.96	293.03	-2.86	-68.82
C[C@@H](O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083690	0	33	-1.0	-61.13	292.31	-2.90	-64.03
COCC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083691	0	33	-1.0	-61.08	294.71	-0.94	-62.02
CCCC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083692	0	35	-1.0	-57.51	303.48	0.53	-56.98
CC(C)C(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083693	0	35	-1.0	-57.26	301.35	0.47	-56.79
CCC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083694	0	32	-1.0	-57.88	281.50	-0.21	-58.09
CC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083695	0	29	-1.0	-57.84	261.55	-1.04	-58.88
O=C(N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2)C1CC1	REAL250005083696	0	33	-1.0	-57.64	292.38	0.55	-57.09
NC(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083697	0	30	-1.0	-55.48	276.85	-4.90	-60.38
O=C(CO)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083698	0	30	-1.0	-62.58	272.46	-3.22	-65.80
CC(O)C(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083699	0	33	-1.0	-62.50	293.05	-2.42	-64.92
CC(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083700	0	31	-1.0	-54.65	284.91	-1.07	-55.72
CC=CC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083701	0	33	-1.0	-58.12	295.33	0.40	-57.72
C[C@H](O)C(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083702	0	33	-1.0	-59.20	292.61	-2.42	-61.62
C=CCC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083703	0	33	-1.0	-57.96	294.88	0.31	-57.65
N#CCC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083704	0	30	-1.0	-65.80	281.45	-0.56	-66.36
C[C@@H](O)C(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083705	0	33	-1.0	-57.03	292.64	-2.41	-59.44
C=CC(=O)N[C@]12C[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005083706	0	30	-1.0	-58.16	273.34	-0.49	-58.65
C[C@H](O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083707	0	33	-1.0	-66.34	292.10	-2.88	-69.22
CC=CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005083708	0	33	-1.0	-61.10	297.77	-0.00	-61.10
CC(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005083709	0	35	-1.0	-46.60	306.17	0.63	-45.97
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C1CC1	REAL250005083710	0	35	-1.0	-51.83	304.90	0.66	-51.17
CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083711	0	30	-1.0	-47.04	274.80	-2.23	-49.27
COCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083712	0	34	-1.0	-47.32	308.48	-3.16	-50.48
C[C@H](CNC(=O)C1CC1)NC(=O)c1nsnc1[O-]	REAL250005083713	0	31	-1.0	-47.12	285.33	-1.48	-48.60
C[C@H](CNC(=O)C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005083714	0	34	-1.0	-46.74	301.52	-0.96	-47.70
C[C@H](CNC(=O)C1CCCC1)NC(=O)c1nsnc1[O-]	REAL250005083715	0	37	-1.0	-46.45	317.84	-0.37	-46.82
C[C@H](CNC(=O)CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005083716	0	34	-1.0	-46.94	305.74	-0.70	-47.64
C[C@H](CNC(=O)C(C)(C)F)NC(=O)c1nsnc1[O-]	REAL250005083717	0	33	-1.0	-46.92	300.48	-1.54	-48.46
C[C@H](CNC(=O)C(C)(F)F)NC(=O)c1nsnc1[O-]	REAL250005083718	0	30	-1.0	-46.74	286.66	-2.05	-48.79
COCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083719	0	31	-1.0	-49.29	287.53	-2.87	-52.16
CCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083720	0	33	-1.0	-46.85	296.30	-1.48	-48.33
C[C@H](CNC(=O)c1ccco1)NC(=O)c1nsnc1[O-]	REAL250005083721	0	31	-1.0	-49.04	294.42	-1.93	-50.97
CC(C)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083722	0	36	-1.0	-46.53	313.03	-0.88	-47.41
C[C@H](CNC(=O)C1CC1C)NC(=O)c1nsnc1[O-]	REAL250005083723	0	34	-1.0	-47.01	306.70	-0.79	-47.80
CCOCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083724	0	34	-1.0	-49.27	309.38	-1.91	-51.18
CC(C)=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083725	0	34	-1.0	-47.07	304.49	-0.93	-48.00
CSCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083726	0	31	-1.0	-48.49	297.87	-1.82	-50.31
C[C@H](CNC(=O)c1ccc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005083727	0	32	-1.0	-48.21	297.31	-2.15	-50.36
C[C@H](CNC(=O)c1ccoc1)NC(=O)c1nsnc1[O-]	REAL250005083728	0	31	-1.0	-49.14	293.58	-1.97	-51.11
CCCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083729	0	36	-1.0	-46.86	317.80	-0.70	-47.56
CC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083730	0	33	-1.0	-46.69	294.35	-1.58	-48.27
CCC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083731	0	36	-1.0	-46.57	312.48	-0.94	-47.51
C[C@H](CNC(=O)c1cc[nH]n1)NC(=O)c1nsnc1[O-]	REAL250005083732	0	31	-1.0	-52.12	293.01	-3.49	-55.61
C[C@H](CNC(=O)c1cn[nH]c1)NC(=O)c1nsnc1[O-]	REAL250005083733	0	31	-1.0	-50.05	292.30	-3.51	-53.56
C[C@H](CNC(=O)c1ccon1)NC(=O)c1nsnc1[O-]	REAL250005083734	0	30	-1.0	-51.72	288.90	-2.70	-54.42
CCC=C(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083735	0	37	-1.0	-47.20	323.50	-0.19	-47.39
COC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083736	0	34	-1.0	-48.79	307.31	-2.18	-50.97
C=CCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083737	0	34	-1.0	-46.83	309.12	-0.91	-47.74
C[C@H](CNC(=O)c1cocn1)NC(=O)c1nsnc1[O-]	REAL250005083738	0	30	-1.0	-51.19	289.21	-5.34	-56.53
C[C@H](CNC(=O)CCC1CC1)NC(=O)c1nsnc1[O-]	REAL250005083739	0	37	-1.0	-46.85	327.92	0.09	-46.76
C[C@H](CNC(=O)C1CC=CC1)NC(=O)c1nsnc1[O-]	REAL250005083740	0	35	-1.0	-46.92	310.30	-0.46	-47.38
C[C@H](CNC(=O)CC1CCC1)NC(=O)c1nsnc1[O-]	REAL250005083741	0	37	-1.0	-46.83	322.71	-0.18	-47.01
CC(C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-])C1CC1	REAL250005083742	0	37	-1.0	-46.33	324.30	-0.10	-46.43
CC=C(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083743	0	34	-1.0	-47.38	303.12	-0.97	-48.35
C[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1nsnc1[O-]	REAL250005083744	0	37	-1.0	-46.50	321.27	-0.37	-46.87
C[C@H](CNC(=O)C=C1CCC1)NC(=O)c1nsnc1[O-]	REAL250005083745	0	35	-1.0	-47.79	313.97	-0.25	-48.04
C[C@H](CNC(=O)C1=CCCC1)NC(=O)c1nsnc1[O-]	REAL250005083746	0	35	-1.0	-47.45	311.40	-0.38	-47.83
C[C@H](CNC(=O)C1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005083747	0	37	-1.0	-46.60	321.92	-0.25	-46.85
C[C@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1nsnc1[O-]	REAL250005083748	0	37	-1.0	-46.62	321.94	-0.24	-46.86
C#CCCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083749	0	35	-1.0	-48.99	323.58	-0.18	-49.17
CCC(C)=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083750	0	37	-1.0	-46.82	325.96	-0.18	-47.00
CC(C)C#CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083751	0	35	-1.0	-48.64	324.20	-0.22	-48.86
C[C@H](CNC(=O)C#CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005083752	0	33	-1.0	-49.07	313.87	-0.05	-49.12
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083753	0	37	-1.0	-46.64	330.47	-0.25	-46.89
C[C@H](CNC(=O)C1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005083754	0	34	-1.0	-46.92	303.08	-0.88	-47.80
C[C@H](CNC(=O)c1c[nH]nn1)NC(=O)c1nsnc1[O-]	REAL250005083755	0	30	-1.0	-53.37	288.26	-4.94	-58.31
C[C@H](CNC(=O)CC1(C)CC1)NC(=O)c1nsnc1[O-]	REAL250005083756	0	37	-1.0	-46.66	326.01	-0.23	-46.89
C[C@H](CNC(=O)c1cnco1)NC(=O)c1nsnc1[O-]	REAL250005083757	0	30	-1.0	-49.09	289.21	-5.23	-54.32
C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083758	0	37	-1.0	-46.63	322.00	-0.62	-47.25
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083759	0	34	-1.0	-47.02	306.71	-0.80	-47.82
C[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1nsnc1[O-]	REAL250005083760	0	37	-1.0	-46.64	318.55	-0.44	-47.08
CCC(F)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083761	0	33	-1.0	-47.21	302.58	-1.43	-48.64
C[C@H](CNC(=O)CCCF)NC(=O)c1nsnc1[O-]	REAL250005083762	0	33	-1.0	-48.59	302.89	-1.33	-49.92
C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083763	0	34	-1.0	-47.00	306.69	-0.79	-47.79
C=CCCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083764	0	37	-1.0	-47.06	330.61	-0.14	-47.20
C[C@H](CNC(=O)C(N)=O)NC(=O)c1nsnc1[O-]	REAL250005083765	0	28	-1.0	-50.07	270.15	-6.92	-56.99
C[C@H](CNC(=O)CC1CC1C)NC(=O)c1nsnc1[O-]	REAL250005083766	0	37	-1.0	-46.75	325.08	-0.06	-46.81
CCC1(C(=O)NC[C@@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005083767	0	37	-1.0	-46.87	327.97	-0.26	-47.13
C[C@H](CNC(=O)C(C)(C)C)NC(=O)c1nsnc1[O-]	REAL250005083768	0	36	-1.0	-46.49	313.24	-1.02	-47.51
CC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083769	0	37	-1.0	-46.90	328.10	-0.04	-46.94
C[C@H](CNC(=O)C1CC12CC2)NC(=O)c1nsnc1[O-]	REAL250005083770	0	35	-1.0	-47.42	317.77	0.00	-47.42
C[C@H](CNC(=O)[C@@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005083771	0	32	-1.0	-51.85	299.76	-5.55	-57.40
C[C@H](CNC(=O)[C@H]1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005083772	0	32	-1.0	-51.83	299.75	-5.55	-57.38
C=CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083773	0	31	-1.0	-47.12	287.72	-1.70	-48.82
C[C@H](CNC(=O)CN(C)C)NC(=O)c1nsnc1[O-]	REAL250005083774	0	35	-1.0	-47.28	308.31	-3.90	-51.18
C=CC(O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083775	0	32	-1.0	-47.15	296.16	-3.64	-50.79
C[C@H](CNC(=O)C1COC1)NC(=O)c1nsnc1[O-]	REAL250005083776	0	32	-1.0	-48.97	292.05	-3.73	-52.70
CO[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083777	0	34	-1.0	-48.81	307.32	-2.17	-50.98
CCC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083778	0	34	-1.0	-47.34	309.47	-0.88	-48.22
C[C@H](CNC(=O)CN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005083779	0	29	-1.0	-48.26	283.92	-6.30	-54.56
C[C@H](CNC(=O)CO)NC(=O)c1nsnc1[O-]	REAL250005083780	0	28	-1.0	-50.75	265.27	-5.15	-55.90
C[C@H](CNC(=O)C=CC(N)=O)NC(=O)c1nsnc1[O-]	REAL250005083781	0	32	-1.0	-51.97	304.77	-5.60	-57.57
CC(O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083782	0	31	-1.0	-50.04	285.94	-4.40	-54.44
C=CCC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083783	0	37	-1.0	-46.49	325.75	-0.39	-46.88
C[C@H](CNC(=O)C1CC1F)NC(=O)c1nsnc1[O-]	REAL250005083784	0	31	-1.0	-49.97	291.53	-1.40	-51.37
C[C@H](CNC(=O)CCF)NC(=O)c1nsnc1[O-]	REAL250005083785	0	30	-1.0	-46.65	281.40	-2.10	-48.75
CC(C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-])=C1CC1	REAL250005083786	0	35	-1.0	-47.92	317.58	-0.01	-47.93
CCC1CC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083787	0	37	-1.0	-46.63	322.63	-0.01	-46.64
C[C@H](CNC(=O)C=CCF)NC(=O)c1nsnc1[O-]	REAL250005083788	0	31	-1.0	-48.45	294.56	-1.52	-49.97
C#CCCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083789	0	32	-1.0	-47.50	302.09	-0.95	-48.45
C[C@H](CNC(=O)CN1CCC1)NC(=O)c1nsnc1[O-]	REAL250005083790	0	36	-1.0	-48.08	316.17	-4.33	-52.41
C#C[C@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083791	0	33	-1.0	-49.12	308.19	-0.31	-49.43
C[C@H](CNC(=O)C1C2CCC21)NC(=O)c1nsnc1[O-]	REAL250005083792	0	35	-1.0	-47.26	312.69	-0.11	-47.37
C=C1CCC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083793	0	35	-1.0	-47.20	315.09	-0.47	-47.67
C[C@H](CNC(=O)C1[C@H](C)[C@@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083794	0	37	-1.0	-46.23	315.49	-0.30	-46.53
CC=CC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083795	0	35	-1.0	-47.67	323.55	-0.20	-47.87
C[C@H](CNC(=O)C1CCO1)NC(=O)c1nsnc1[O-]	REAL250005083796	0	32	-1.0	-48.81	293.40	-2.73	-51.54
C[C@H](CNC(=O)CCN=[N+]=[N-])NC(=O)c1nsnc1[O-]	REAL250005083797	0	32	-1.0	-46.48	304.93	-5.63	-52.11
C#CCOCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083798	0	33	-1.0	-51.66	315.17	-1.38	-53.04
C[C@H](CNC(=O)C(C)(C)O)NC(=O)c1nsnc1[O-]	REAL250005083799	0	34	-1.0	-47.40	305.28	-4.82	-52.22
CC1=CC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083800	0	32	-1.0	-48.28	300.34	-0.76	-49.04
C=C1CC(C(=O)NC[C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005083801	0	35	-1.0	-46.59	315.05	-0.44	-47.03
C[C@H](CNC(=O)c1cnc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005083802	0	31	-1.0	-48.92	292.12	-2.40	-51.32
C[C@H](CNC(=O)C1=CCCO1)NC(=O)c1nsnc1[O-]	REAL250005083803	0	33	-1.0	-48.87	302.90	-2.36	-51.23
C[C@@H](O)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083804	0	31	-1.0	-47.45	285.61	-4.38	-51.83
C[C@H](CNC(=O)C=CCO)NC(=O)c1nsnc1[O-]	REAL250005083805	0	32	-1.0	-49.81	299.48	-5.00	-54.81
COC(F)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083806	0	31	-1.0	-48.81	293.42	-3.40	-52.21
C[C@H](CNC(=O)C12CC1CC2)NC(=O)c1nsnc1[O-]	REAL250005083807	0	35	-1.0	-47.37	313.76	-0.27	-47.64
C=C[C@H](C)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083808	0	37	-1.0	-46.43	325.81	-0.36	-46.79
C[C@H](CNC(=O)C=CC1CC1)NC(=O)c1nsnc1[O-]	REAL250005083809	0	35	-1.0	-47.24	320.35	-0.06	-47.30
CC=C(CC)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083810	0	37	-1.0	-47.33	324.15	-0.26	-47.59
C[C@H](CNC(=O)C1=CCC1)NC(=O)c1nsnc1[O-]	REAL250005083811	0	32	-1.0	-47.93	295.28	-0.97	-48.90
CON=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083812	0	31	-1.0	-49.09	297.27	-3.67	-52.76
C[C@H](CNC(=O)C1(F)CC1)NC(=O)c1nsnc1[O-]	REAL250005083813	0	31	-1.0	-47.49	291.52	-1.43	-48.92
C[C@H](CNC(=O)C1=NOCC1)NC(=O)c1nsnc1[O-]	REAL250005083814	0	32	-1.0	-49.95	298.84	-3.39	-53.34
C#CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083815	0	35	-1.0	-48.16	319.06	-0.58	-48.74
C[C@H](CNC(=O)c1ncc[nH]1)NC(=O)c1nsnc1[O-]	REAL250005083816	0	31	-1.0	-52.07	293.25	-3.20	-55.27
CCCC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083817	0	37	-1.0	-47.16	330.97	-0.10	-47.26
CC=C(F)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083818	0	31	-1.0	-47.44	293.35	-1.57	-49.01
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1	REAL250005083819	0	34	-1.0	-48.05	305.75	-0.71	-48.76
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)F	REAL250005083820	0	33	-1.0	-47.92	300.46	-1.52	-49.44
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(F)F	REAL250005083821	0	30	-1.0	-46.54	286.67	-2.06	-48.60
COCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083822	0	31	-1.0	-50.59	287.53	-2.88	-53.47
CCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083823	0	33	-1.0	-47.83	296.30	-1.48	-49.31
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccco1	REAL250005083824	0	31	-1.0	-49.17	294.42	-1.93	-51.10
CC(C)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083825	0	36	-1.0	-47.45	313.03	-0.89	-48.34
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1C	REAL250005083826	0	34	-1.0	-47.87	306.70	-0.81	-48.68
CCOCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083827	0	34	-1.0	-50.57	309.38	-1.92	-52.49
CC(C)=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083828	0	34	-1.0	-47.66	304.49	-0.93	-48.59
CSCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083829	0	31	-1.0	-49.73	297.87	-1.82	-51.55
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccc[nH]1	REAL250005083830	0	32	-1.0	-49.68	297.31	-2.14	-51.82
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccoc1	REAL250005083831	0	31	-1.0	-50.46	293.59	-1.96	-52.42
CCCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083832	0	36	-1.0	-47.91	317.80	-0.70	-48.61
CC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083833	0	33	-1.0	-47.67	294.34	-1.58	-49.25
CCC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083834	0	36	-1.0	-47.56	312.48	-0.93	-48.49
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cc[nH]n1	REAL250005083835	0	31	-1.0	-51.78	293.01	-3.48	-55.26
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cn[nH]c1	REAL250005083836	0	31	-1.0	-50.31	292.30	-3.50	-53.81
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccon1	REAL250005083837	0	30	-1.0	-50.88	288.90	-2.69	-53.57
CCC=C(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083838	0	37	-1.0	-48.02	323.50	-0.16	-48.18
COC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083839	0	34	-1.0	-50.07	307.31	-2.17	-52.24
C=CCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083840	0	34	-1.0	-47.87	309.12	-0.92	-48.79
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cocn1	REAL250005083841	0	30	-1.0	-50.55	289.21	-5.34	-55.89
CC(C#N)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083842	0	31	-1.0	-52.84	293.78	-1.95	-54.79
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCC1CC1	REAL250005083843	0	37	-1.0	-47.80	327.92	0.08	-47.72
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC=CC1	REAL250005083844	0	35	-1.0	-47.57	310.35	-0.48	-48.05
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CCC1	REAL250005083845	0	37	-1.0	-47.87	322.71	-0.19	-48.06
CC(C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-])C1CC1	REAL250005083846	0	37	-1.0	-47.30	324.29	-0.08	-47.38
CC=C(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083847	0	34	-1.0	-48.19	303.12	-0.94	-49.13
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(C)C1	REAL250005083848	0	37	-1.0	-47.58	322.46	-0.32	-47.90
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=C1CCC1	REAL250005083849	0	35	-1.0	-48.46	313.97	-0.24	-48.70
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCC1	REAL250005083850	0	35	-1.0	-47.99	311.43	-0.37	-48.36
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1(C)C	REAL250005083851	0	37	-1.0	-47.31	321.92	-0.26	-47.57
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC1(C)C	REAL250005083852	0	37	-1.0	-47.29	321.91	-0.26	-47.55
C#CCCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083853	0	35	-1.0	-50.23	323.58	-0.18	-50.41
CCC(C)=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083854	0	37	-1.0	-47.38	325.96	-0.17	-47.55
CC(C)C#CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083855	0	35	-1.0	-48.94	324.20	-0.20	-49.14
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C#CC1CC1	REAL250005083856	0	33	-1.0	-49.21	313.87	-0.03	-49.24
CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083857	0	30	-1.0	-48.03	274.80	-2.25	-50.28
COCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083858	0	34	-1.0	-48.03	308.48	-3.18	-51.21
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1	REAL250005083859	0	31	-1.0	-47.93	285.33	-1.48	-49.41
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCC1	REAL250005083860	0	34	-1.0	-47.63	301.54	-0.97	-48.60
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCCC1	REAL250005083861	0	37	-1.0	-47.47	318.60	-0.36	-47.83
C=CCCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083862	0	37	-1.0	-48.17	330.61	-0.14	-48.31
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(N)=O	REAL250005083863	0	28	-1.0	-48.86	270.15	-6.90	-55.76
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1CC1C	REAL250005083864	0	37	-1.0	-48.04	327.12	-0.03	-48.07
CCC1(C(=O)N[C@H](C)CNC(=O)c2nsnc2[O-])CC1	REAL250005083865	0	37	-1.0	-47.93	328.08	-0.30	-48.23
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)C	REAL250005083866	0	36	-1.0	-47.45	313.24	-1.01	-48.46
C=C(C)CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083867	0	37	-1.0	-47.68	330.73	-0.26	-47.94
CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083868	0	37	-1.0	-47.80	328.12	-0.04	-47.84
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC12CC2	REAL250005083869	0	35	-1.0	-48.12	317.77	-0.01	-48.13
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC1(C)CC1	REAL250005083870	0	37	-1.0	-47.60	325.74	-0.20	-47.80
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CC1	REAL250005083871	0	34	-1.0	-47.69	303.09	-0.87	-48.56
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cc[nH]c1	REAL250005083872	0	32	-1.0	-50.84	297.69	-2.07	-52.91
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnco1	REAL250005083873	0	30	-1.0	-49.43	289.21	-5.22	-54.65
C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083874	0	37	-1.0	-47.73	322.00	-0.62	-48.35
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005083875	0	34	-1.0	-47.85	306.71	-0.81	-48.66
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C)CCC1	REAL250005083876	0	37	-1.0	-47.57	318.73	-0.45	-48.02
CCC(F)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083877	0	33	-1.0	-47.71	302.58	-1.44	-49.15
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCCF	REAL250005083878	0	33	-1.0	-49.96	302.89	-1.34	-51.30
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1C[C@@H]1C	REAL250005083879	0	34	-1.0	-47.85	306.70	-0.81	-48.66
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1c[nH]nn1	REAL250005083880	0	30	-1.0	-51.97	288.25	-4.93	-56.90
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CO	REAL250005083881	0	28	-1.0	-52.13	265.27	-5.16	-57.29
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CC(N)=O	REAL250005083882	0	32	-1.0	-51.67	304.76	-5.60	-57.27
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CCO1	REAL250005083883	0	32	-1.0	-51.46	293.28	-2.63	-54.09
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCCO1	REAL250005083884	0	33	-1.0	-48.60	302.90	-2.35	-50.95
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1COC1	REAL250005083885	0	32	-1.0	-50.53	292.08	-3.74	-54.27
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CCO	REAL250005083886	0	32	-1.0	-51.12	299.48	-4.98	-56.10
CCC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083887	0	34	-1.0	-48.07	309.47	-0.86	-48.93
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCN=[N+]=[N-]	REAL250005083888	0	32	-1.0	-47.37	304.94	-5.63	-53.00
C#CCOCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083889	0	33	-1.0	-53.05	315.17	-1.39	-54.44
C#CCCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083890	0	32	-1.0	-48.30	302.09	-0.97	-49.27
CC=CC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083891	0	35	-1.0	-48.31	323.54	-0.21	-48.52
C#CCC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083892	0	35	-1.0	-47.67	319.96	-0.39	-48.06
C=CC(O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083893	0	32	-1.0	-48.32	298.81	-3.84	-52.16
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C12CC1CC2	REAL250005083894	0	35	-1.0	-47.86	313.74	-0.27	-48.13
C=C[C@H](C)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083895	0	37	-1.0	-47.45	325.82	-0.36	-47.81
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CC1CC1	REAL250005083896	0	35	-1.0	-48.05	320.36	-0.04	-48.09
CCC(C#N)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083897	0	34	-1.0	-49.00	314.41	-1.31	-50.31
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1C2CCC21	REAL250005083898	0	35	-1.0	-47.96	308.06	-0.14	-48.10
C=C1CCC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083899	0	35	-1.0	-48.04	315.05	-0.47	-48.51
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1[C@H](C)[C@@H]1C	REAL250005083900	0	37	-1.0	-47.73	325.39	-0.18	-47.91
CC(O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083901	0	31	-1.0	-51.48	285.94	-4.40	-55.88
CC(=O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083902	0	29	-1.0	-47.71	277.55	-3.10	-50.81
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCCC#N	REAL250005083903	0	34	-1.0	-55.08	317.16	-0.96	-56.04
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(C#N)CC1	REAL250005083904	0	32	-1.0	-49.16	304.59	-1.22	-50.38
C=C1CC(C(=O)N[C@H](C)CNC(=O)c2nsnc2[O-])C1	REAL250005083905	0	35	-1.0	-48.46	314.67	-0.48	-48.94
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(F)CC1	REAL250005083906	0	31	-1.0	-47.71	291.70	-1.42	-49.13
CC(CC#N)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083907	0	34	-1.0	-49.41	313.53	-1.21	-50.62
CCC1CC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083908	0	37	-1.0	-47.83	328.10	-0.04	-47.87
CCCC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083909	0	37	-1.0	-47.98	330.96	-0.08	-48.06
CC=C(F)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083910	0	31	-1.0	-47.01	293.35	-1.55	-48.56
CC(=O)C=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083911	0	33	-1.0	-49.87	311.63	-1.76	-51.63
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ncc[nH]1	REAL250005083912	0	31	-1.0	-51.00	293.25	-3.20	-54.20
CC(CO)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083913	0	34	-1.0	-48.16	304.94	-4.86	-53.02
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnoc1	REAL250005083914	0	30	-1.0	-48.73	288.53	-2.51	-51.24
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(=O)C1CC1	REAL250005083915	0	33	-1.0	-47.53	308.15	-1.51	-49.04
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@@H]1C#N	REAL250005083916	0	32	-1.0	-56.64	302.29	-1.17	-57.81
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=COCC1	REAL250005083917	0	33	-1.0	-48.38	301.50	-2.39	-50.77
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1(O)CC1	REAL250005083918	0	32	-1.0	-47.20	293.64	-4.55	-51.75
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=CCC1	REAL250005083919	0	32	-1.0	-48.62	295.28	-0.96	-49.58
CC(CF)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083920	0	33	-1.0	-46.79	300.15	-1.45	-48.24
CC=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083921	0	31	-1.0	-48.24	288.38	-1.62	-49.86
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C=CCF	REAL250005083922	0	31	-1.0	-49.76	294.56	-1.50	-51.26
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1ccno1	REAL250005083923	0	30	-1.0	-48.50	288.90	-2.50	-51.00
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CN=[N+]=[N-]	REAL250005083924	0	29	-1.0	-49.60	283.92	-6.29	-55.89
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H](C)O	REAL250005083925	0	31	-1.0	-51.51	285.95	-4.40	-55.91
CON=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083926	0	31	-1.0	-49.96	297.27	-3.66	-53.62
C#CC1(C(=O)N[C@H](C)CNC(=O)c2nsnc2[O-])CC1	REAL250005083927	0	33	-1.0	-47.58	311.02	-0.40	-47.98
C=CC=CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083928	0	35	-1.0	-48.65	322.97	-0.28	-48.93
C#C[C@H]1C[C@H]1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083929	0	33	-1.0	-50.30	308.19	-0.31	-50.61
CC=C(CC)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083930	0	37	-1.0	-47.89	324.16	-0.23	-48.12
COC(F)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083931	0	31	-1.0	-50.04	293.43	-3.40	-53.44
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C#N	REAL250005083932	0	32	-1.0	-50.50	306.33	-1.06	-51.56
C=CCC(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083933	0	37	-1.0	-47.43	326.98	-0.34	-47.77
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1C[C@H]1C	REAL250005083934	0	34	-1.0	-47.85	306.71	-0.81	-48.66
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)O	REAL250005083935	0	34	-1.0	-47.62	305.28	-4.82	-52.44
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1=NOCC1	REAL250005083936	0	32	-1.0	-48.71	298.90	-3.37	-52.08
CC(C#N)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083937	0	34	-1.0	-49.26	312.35	-1.21	-50.47
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H](O)CF	REAL250005083938	0	31	-1.0	-48.64	291.91	-4.22	-52.86
C=C(C)CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083939	0	34	-1.0	-47.94	309.07	-1.06	-49.00
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C(C)(C)C#N	REAL250005083940	0	34	-1.0	-51.73	312.64	-1.44	-53.17
CC(C)=C(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083941	0	37	-1.0	-47.61	318.23	-0.26	-47.87
C=CCC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083942	0	31	-1.0	-48.19	287.72	-1.71	-49.90
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CN(C)C	REAL250005083943	0	35	-1.0	-48.30	308.31	-3.91	-52.21
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CC#N	REAL250005083944	0	28	-1.0	-55.00	274.27	-2.57	-57.57
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC1F	REAL250005083945	0	31	-1.0	-47.72	292.11	-1.38	-49.10
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CCF	REAL250005083946	0	30	-1.0	-47.39	281.40	-2.11	-49.50
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1C=CCC1	REAL250005083947	0	35	-1.0	-47.59	310.44	-0.46	-48.05
C#CC(C)(C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083948	0	35	-1.0	-49.41	319.07	-0.57	-49.98
CO[C@H](C)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083949	0	34	-1.0	-50.21	307.31	-2.18	-52.39
C[C@@H](O)C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083950	0	31	-1.0	-48.16	285.60	-4.38	-52.54
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)CN1CCC1	REAL250005083951	0	36	-1.0	-49.35	316.17	-4.32	-53.67
C=C1CC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083952	0	32	-1.0	-48.17	298.88	-0.91	-49.08
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(=O)N1	REAL250005083953	0	32	-1.0	-53.62	299.76	-5.56	-59.18
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@@H]1CC(=O)N1	REAL250005083954	0	32	-1.0	-54.13	299.27	-5.89	-60.02
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)c1cnc[nH]1	REAL250005083955	0	31	-1.0	-50.66	292.13	-2.40	-53.06
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)C1CC(=O)C1	REAL250005083956	0	33	-1.0	-49.70	304.27	-1.89	-51.59
CC(C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-])=C1CC1	REAL250005083957	0	35	-1.0	-48.62	317.58	0.01	-48.61
CC1=CC1C(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083958	0	32	-1.0	-48.76	300.34	-0.76	-49.52
C[C@H](CNC(=O)c1nsnc1[O-])NC(=O)[C@H]1CC(=O)N1	REAL250005083959	0	32	-1.0	-54.19	299.27	-5.89	-60.08
C=CC(=O)N[C@H](C)CNC(=O)c1nsnc1[O-]	REAL250005083960	0	28	-1.0	-48.50	266.65	-2.51	-51.01
CC(CO)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083961	0	34	-1.0	-47.44	304.94	-4.87	-52.31
C[C@H](CNC(=O)c1cnoc1)NC(=O)c1nsnc1[O-]	REAL250005083962	0	30	-1.0	-47.89	288.28	-2.49	-50.38
C#CC1(C(=O)NC[C@@H](C)NC(=O)c2nsnc2[O-])CC1	REAL250005083963	0	33	-1.0	-47.30	311.02	-0.41	-47.71
C[C@H](CNC(=O)C1=COCC1)NC(=O)c1nsnc1[O-]	REAL250005083964	0	33	-1.0	-47.60	301.50	-2.40	-50.00
C[C@H](CNC(=O)[C@H](C)O)NC(=O)c1nsnc1[O-]	REAL250005083965	0	31	-1.0	-47.40	285.60	-4.38	-51.78
C[C@H](CNC(=O)C1C=CCC1)NC(=O)c1nsnc1[O-]	REAL250005083966	0	35	-1.0	-46.85	310.45	-0.45	-47.30
C=C1CC1C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083967	0	32	-1.0	-47.42	298.88	-0.89	-48.31
CC(CF)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083968	0	33	-1.0	-46.03	300.33	-1.45	-47.48
C=C(C)CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083969	0	34	-1.0	-46.95	309.07	-1.05	-48.00
CC(C)=C(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083970	0	37	-1.0	-47.60	325.62	-0.51	-48.11
CC=CC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083971	0	31	-1.0	-47.49	288.38	-1.64	-49.13
C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1nsnc1[O-]	REAL250005083972	0	34	-1.0	-47.02	306.71	-0.80	-47.82
C=CC=CCC(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083973	0	35	-1.0	-47.52	322.97	-0.28	-47.80
C#CCC(C)C(=O)NC[C@@H](C)NC(=O)c1nsnc1[O-]	REAL250005083974	0	35	-1.0	-46.95	319.95	-0.39	-47.34
C[C@H](CNC(=O)[C@H](O)CF)NC(=O)c1nsnc1[O-]	REAL250005083975	0	31	-1.0	-48.32	291.91	-4.22	-52.54
C[C@H](CNC(=O)C1(O)CC1)NC(=O)c1nsnc1[O-]	REAL250005083976	0	32	-1.0	-46.82	293.64	-4.55	-51.37
C[C@H](CNC(=O)C1CC(=O)N1)NC(=O)c1nsnc1[O-]	REAL250005083977	0	32	-1.0	-52.09	299.18	-5.67	-57.76
C[C@H](CNC(=O)c1ccno1)NC(=O)c1nsnc1[O-]	REAL250005083978	0	30	-1.0	-49.18	288.91	-2.52	-51.70
CCC(=O)NC[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083979	0	37	-1.0	-49.69	308.66	0.66	-49.03
CC(=O)NC[C@H]1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005083980	0	34	-1.0	-50.89	288.60	-0.08	-50.97
CCC(=O)N1CCC[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005083981	0	37	-1.0	-54.21	311.73	0.51	-53.70
CC(=O)N1CCC[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005083982	0	34	-1.0	-49.13	290.48	-0.33	-49.46
C=CC(=O)N1CCC[C@H](CNC(=O)c2nsnc2[O-])C1	REAL250005083983	0	35	-1.0	-54.47	302.50	0.20	-54.27
CCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083984	0	31	-1.0	-52.78	272.56	0.26	-52.52
CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083985	0	28	-1.0	-53.16	252.25	-0.55	-53.71
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2CC2)C1	REAL250005083986	0	32	-1.0	-52.98	282.47	0.97	-52.01
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2CCC2)C1	REAL250005083987	0	35	-1.0	-52.67	299.33	1.54	-51.13
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)CC2CC2)C1	REAL250005083988	0	35	-1.0	-52.88	303.53	1.80	-51.08
COCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083989	0	32	-1.0	-55.85	284.70	-0.40	-56.25
CCCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083990	0	34	-1.0	-52.46	294.06	1.02	-51.44
CC(C)CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083991	0	37	-1.0	-52.13	310.78	1.62	-50.51
CC1CC1C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083992	0	35	-1.0	-52.55	304.46	1.69	-50.86
CC(C)=CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083993	0	35	-1.0	-52.13	301.78	1.54	-50.59
CCCCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083994	0	37	-1.0	-52.53	315.56	1.80	-50.73
CC(C)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083995	0	34	-1.0	-52.57	293.06	0.82	-51.75
CCC(C)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083996	0	37	-1.0	-52.35	311.74	1.46	-50.89
C=CCCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083997	0	35	-1.0	-52.46	306.87	1.58	-50.88
CC=C(C)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005083998	0	35	-1.0	-53.10	295.79	1.08	-52.02
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2(C)CC2)C1	REAL250005083999	0	35	-1.0	-50.62	302.67	1.40	-49.22
C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084000	0	35	-1.0	-52.53	304.01	1.74	-50.79
C[C@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084001	0	35	-1.0	-52.33	303.97	1.73	-50.60
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C(N)=O)C1	REAL250005084002	0	29	-1.0	-50.72	265.70	-4.50	-55.22
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C(C)(C)C)C1	REAL250005084003	0	37	-1.0	-52.50	303.57	1.04	-51.46
C=CCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084004	0	32	-1.0	-52.80	285.47	0.80	-52.00
CN(C)CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084005	0	36	-1.0	-53.01	306.06	-1.43	-54.44
C=CC(O)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084006	0	33	-1.0	-52.70	292.36	-1.48	-54.18
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2COC2)C1	REAL250005084007	0	33	-1.0	-52.71	289.92	-1.23	-53.94
CCC=CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084008	0	35	-1.0	-52.61	306.98	1.60	-51.01
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)CN=[N+]=[N-])C1	REAL250005084009	0	30	-1.0	-54.12	281.66	-3.80	-57.92
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)CO)C1	REAL250005084010	0	29	-1.0	-57.28	263.03	-2.62	-59.90
CC(O)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084011	0	32	-1.0	-54.94	282.12	-2.07	-57.01
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)CCF)C1	REAL250005084012	0	31	-1.0	-51.45	279.15	0.41	-51.04
C#CCCC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084013	0	33	-1.0	-52.45	299.84	1.54	-50.91
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2CCO2)C1	REAL250005084014	0	33	-1.0	-56.22	290.30	0.67	-55.55
CC1=CC1C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084015	0	33	-1.0	-52.59	296.91	2.57	-50.02
C[C@@H](O)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084016	0	32	-1.0	-52.85	279.86	-1.18	-54.03
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C=CCO)C1	REAL250005084017	0	33	-1.0	-56.08	296.99	-2.52	-58.60
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2=CCC2)C1	REAL250005084018	0	33	-1.0	-52.06	289.55	2.43	-49.63
CON=CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084019	0	32	-1.0	-54.10	294.79	-1.20	-55.30
CN(C(=O)CC1CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084020	0	35	-1.0	-50.36	303.12	2.37	-47.99
COCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084021	0	32	-1.0	-52.43	284.56	0.35	-52.08
CCCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084022	0	34	-1.0	-50.13	293.33	1.73	-48.40
CC(C)CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084023	0	37	-1.0	-49.86	310.06	2.32	-47.54
CC1CC1C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084024	0	35	-1.0	-54.99	303.68	1.34	-53.65
CC(C)=CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084025	0	35	-1.0	-50.46	300.11	2.23	-48.23
CCCCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084026	0	37	-1.0	-50.10	314.83	2.51	-47.59
CC(C)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084027	0	34	-1.0	-57.05	288.52	1.39	-55.66
CCC(C)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084028	0	37	-1.0	-56.93	306.74	2.03	-54.90
C=CCCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084029	0	35	-1.0	-50.04	306.14	2.29	-47.75
CC(C#N)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084030	0	32	-1.0	-63.51	288.08	1.01	-62.50
CC=C(C)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084031	0	35	-1.0	-50.86	300.83	1.90	-48.96
CCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084032	0	31	-1.0	-50.36	271.83	0.96	-49.40
CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084033	0	28	-1.0	-50.79	251.53	0.17	-50.62
CN(C(=O)C1CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084034	0	32	-1.0	-54.86	282.36	0.78	-54.08
CN(C(=O)C1CCC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084035	0	35	-1.0	-54.98	297.73	1.13	-53.85
CN(C(=O)C(N)=O)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084036	0	29	-1.0	-60.14	260.76	-3.45	-63.59
CN(C(=O)C(C)(C)C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084037	0	37	-1.0	-56.55	301.09	1.53	-55.02
CN(C(=O)C1(C)CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084038	0	35	-1.0	-54.97	299.83	0.99	-53.98
C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084039	0	35	-1.0	-54.73	303.74	1.44	-53.29
C[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084040	0	35	-1.0	-54.98	303.65	1.34	-53.64
CN(C(=O)CO)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084041	0	29	-1.0	-53.96	262.31	-1.94	-55.90
CN(C(=O)C1CCO1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084042	0	33	-1.0	-59.61	287.85	-0.45	-60.06
CN(C(=O)C1COC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084043	0	33	-1.0	-55.27	289.62	-1.49	-56.76
CN(C(=O)C=CCO)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084044	0	33	-1.0	-53.05	295.69	-1.81	-54.86
CCC=CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084045	0	35	-1.0	-50.52	305.67	2.31	-48.21
C#CCCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084046	0	33	-1.0	-50.64	299.11	2.24	-48.40
C=CC(O)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084047	0	33	-1.0	-50.40	288.37	-0.67	-51.07
CC(O)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084048	0	32	-1.0	-50.75	277.53	-1.40	-52.15
CC(=O)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084049	0	30	-1.0	-51.30	272.37	0.18	-51.12
CN(C(=O)C1(O)CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084050	0	33	-1.0	-53.05	288.37	-2.07	-55.12
CN(C(=O)C1=CCC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084051	0	33	-1.0	-55.91	289.02	1.08	-54.83
CC=CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084052	0	32	-1.0	-50.82	284.58	1.55	-49.27
CN(C(=O)CN=[N+]=[N-])C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084053	0	30	-1.0	-51.47	280.95	-3.13	-54.60
C[C@H](O)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084054	0	32	-1.0	-55.79	278.34	-2.30	-58.09
CON=CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084055	0	32	-1.0	-72.21	289.27	-0.25	-72.46
C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084056	0	35	-1.0	-54.73	303.74	1.44	-53.29
C=C(C)CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084057	0	35	-1.0	-50.23	306.10	2.15	-48.08
C=CCC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084058	0	32	-1.0	-50.28	284.75	1.50	-48.78
CN(C)CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084059	0	36	-1.0	-50.56	305.33	-0.75	-51.31
CN(C(=O)CC#N)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084060	0	29	-1.0	-56.21	271.30	0.64	-55.57
CN(C(=O)CCF)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084061	0	31	-1.0	-49.85	278.43	1.10	-48.75
C[C@@H](O)C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084062	0	32	-1.0	-56.07	278.25	-2.42	-58.49
C=C1CC1C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084063	0	33	-1.0	-50.54	295.12	2.27	-48.27
CC1=CC1C(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084064	0	33	-1.0	-55.28	297.56	1.51	-53.77
C=CC(=O)N(C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084065	0	29	-1.0	-67.85	258.64	0.94	-66.91
C[C@H](O)C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084066	0	32	-1.0	-53.78	280.90	-2.01	-55.79
C=C1CC1C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084067	0	33	-1.0	-52.49	296.65	1.60	-50.89
C=C(C)CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084068	0	35	-1.0	-52.37	307.08	1.45	-50.92
CC=CC(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084069	0	32	-1.0	-52.88	285.89	0.84	-52.04
C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2nsnc2[O-])C1	REAL250005084070	0	35	-1.0	-52.53	304.01	1.74	-50.79
CN(C(=O)c1nsnc1[O-])C1CN(C(=O)C2(O)CC2)C1	REAL250005084071	0	33	-1.0	-51.01	286.88	-2.12	-53.13
CCC(=O)NCC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005084072	0	36	-1.0	-53.49	305.13	0.50	-52.99
CC(=O)NCC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005084073	0	33	-1.0	-53.75	284.53	-0.31	-54.06
CC(CNC(=O)C1CC1)CN(C)C(=O)c1nsnc1[O-]	REAL250005084074	0	37	-1.0	-53.42	315.65	1.27	-52.15
C=CCC(=O)NCC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005084075	0	37	-1.0	-53.53	318.04	1.04	-52.49
CC(CNC(=O)CO)CN(C)C(=O)c1nsnc1[O-]	REAL250005084076	0	34	-1.0	-57.78	295.59	-2.42	-60.20
CCC(=O)N(C)CC(C)CNC(=O)c1nsnc1[O-]	REAL250005084077	0	36	-1.0	-52.21	307.06	0.20	-52.01
CC(=O)N(C)CC(C)CNC(=O)c1nsnc1[O-]	REAL250005084078	0	33	-1.0	-52.38	285.37	-0.60	-52.98
CC(CNC(=O)c1nsnc1[O-])CN(C)C(=O)C1CC1	REAL250005084079	0	37	-1.0	-53.94	317.82	0.91	-53.03
CC(CNC(=O)c1nsnc1[O-])CN(C)C(=O)CO	REAL250005084080	0	34	-1.0	-56.97	297.52	-2.77	-59.74
CC=CC(=O)N(C)CC(C)CNC(=O)c1nsnc1[O-]	REAL250005084081	0	37	-1.0	-52.37	319.80	0.78	-51.59
C=CCC(=O)N(C)CC(C)CNC(=O)c1nsnc1[O-]	REAL250005084082	0	37	-1.0	-52.18	319.97	0.74	-51.44
CC(CNC(=O)c1nsnc1[O-])CN(C)C(=O)CC#N	REAL250005084083	0	34	-1.0	-60.88	306.52	-0.13	-61.01
C=CC(=O)N(C)CC(C)CNC(=O)c1nsnc1[O-]	REAL250005084084	0	34	-1.0	-52.40	298.07	-0.09	-52.49
CC=CC(=O)NCC(C)CN(C)C(=O)c1nsnc1[O-]	REAL250005084085	0	37	-1.0	-53.67	318.70	1.11	-52.56
CC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005084086	0	37	-1.0	-52.66	300.64	1.76	-50.90
CC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])CC1	REAL250005084087	0	37	-1.0	-61.81	301.07	1.80	-60.01
CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084088	0	34	-1.0	-56.02	278.11	1.89	-54.13
CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084089	0	31	-1.0	-60.27	254.84	1.01	-59.26
O=C(c1nsnc1[O-])N1CCCN(C(=O)C2CC2)CC1	REAL250005084090	0	35	-1.0	-50.30	289.46	2.97	-47.33
CCCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084091	0	37	-1.0	-56.13	299.61	2.65	-53.48
CC(C)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084092	0	37	-1.0	-56.44	292.91	2.21	-54.23
NC(=O)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084093	0	32	-1.0	-48.30	270.63	-2.38	-50.68
C=CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084094	0	35	-1.0	-56.01	291.02	2.43	-53.58
O=C(CO)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084095	0	32	-1.0	-60.34	268.57	-1.01	-61.35
CCCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084096	0	37	-1.0	-56.13	299.61	2.65	-53.48
CC(C)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084097	0	37	-1.0	-56.44	292.91	2.21	-54.23
CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084098	0	34	-1.0	-56.02	278.11	1.89	-54.13
CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084099	0	31	-1.0	-60.27	254.84	1.01	-59.26
O=C(c1nsnc1[O-])N1CCCN(C(=O)C2CC2)CC1	REAL250005084100	0	35	-1.0	-50.30	289.46	2.97	-47.33
NC(=O)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084101	0	32	-1.0	-48.30	270.63	-2.38	-50.68
O=C(CO)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084102	0	32	-1.0	-60.34	268.57	-1.01	-61.35
CC(=O)C(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084103	0	33	-1.0	-56.19	275.58	1.09	-55.10
CC=CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084104	0	35	-1.0	-50.33	293.04	2.77	-47.56
C=CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084105	0	35	-1.0	-56.01	291.02	2.43	-53.58
N#CCC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084106	0	32	-1.0	-61.10	277.57	1.57	-59.53
C=CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084107	0	32	-1.0	-60.75	268.00	1.55	-59.20
CC=CC(=O)N1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084108	0	35	-1.0	-50.33	293.04	2.77	-47.56
CCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084109	0	31	-1.0	-50.71	276.23	-1.25	-51.96
CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084110	0	28	-1.0	-51.26	255.86	-1.98	-53.24
CC1(NC(=O)C2CC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084111	0	32	-1.0	-51.19	287.00	-0.39	-51.58
CC1(NC(=O)C2CCC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084112	0	35	-1.0	-50.84	303.06	0.12	-50.72
CC1(NC(=O)CC2CC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084113	0	35	-1.0	-50.86	307.17	0.38	-50.48
COCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084114	0	32	-1.0	-53.21	288.88	-1.90	-55.11
CCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084115	0	34	-1.0	-50.71	297.65	-0.39	-51.10
CC(C)CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084116	0	37	-1.0	-50.42	314.38	0.19	-50.23
CC1CC1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084117	0	35	-1.0	-50.55	302.69	0.34	-50.21
CC(C)=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084118	0	35	-1.0	-50.76	305.90	0.05	-50.71
CCCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084119	0	37	-1.0	-50.76	319.15	0.39	-50.37
CC(C)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084120	0	34	-1.0	-50.61	295.77	-0.60	-51.21
CCC(C)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084121	0	37	-1.0	-50.30	313.91	0.05	-50.25
C=CCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084122	0	35	-1.0	-50.54	310.46	0.17	-50.37
CC=C(C)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084123	0	35	-1.0	-51.17	304.53	0.02	-51.15
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084124	0	35	-1.0	-50.68	308.12	0.19	-50.49
C[C@H]1C[C@@H]1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084125	0	35	-1.0	-50.76	308.12	0.20	-50.56
CC1(NC(=O)C(N)=O)CN(C(=O)c2nsnc2[O-])C1	REAL250005084126	0	29	-1.0	-53.57	271.58	-5.93	-59.50
C=CCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084127	0	32	-1.0	-50.62	289.14	-0.71	-51.33
CN(C)CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084128	0	36	-1.0	-51.29	309.66	-2.84	-54.13
C=CC(O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084129	0	33	-1.0	-50.62	300.23	-2.94	-53.56
CC1(NC(=O)C2COC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084130	0	33	-1.0	-51.08	293.54	-2.75	-53.83
CCC=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084131	0	35	-1.0	-50.87	310.88	0.11	-50.76
CC1(NC(=O)CN=[N+]=[N-])CN(C(=O)c2nsnc2[O-])C1	REAL250005084132	0	30	-1.0	-52.34	285.27	-5.21	-57.55
CC1(NC(=O)CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084133	0	29	-1.0	-54.55	266.63	-4.18	-58.73
CC(O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084134	0	32	-1.0	-52.00	287.05	-3.39	-55.39
CC1(NC(=O)CCF)CN(C(=O)c2nsnc2[O-])C1	REAL250005084135	0	31	-1.0	-50.55	282.75	-1.02	-51.57
C#CCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084136	0	33	-1.0	-51.34	303.43	0.12	-51.22
CC1(NC(=O)C2CCO2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084137	0	33	-1.0	-53.62	294.72	-1.72	-55.34
CC1=CC1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084138	0	33	-1.0	-52.26	301.77	0.33	-51.93
C[C@@H](O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084139	0	32	-1.0	-54.15	287.36	-3.42	-57.57
CC1(NC(=O)C=CCO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084140	0	33	-1.0	-53.32	300.89	-4.01	-57.33
CC1(NC(=O)C2=CCC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084141	0	33	-1.0	-51.99	297.26	0.18	-51.81
CON=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084142	0	32	-1.0	-52.77	298.68	-2.69	-55.46
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CC2CC2)C1	REAL250005084143	0	35	-1.0	-47.54	309.62	0.22	-47.32
COCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084144	0	32	-1.0	-50.01	291.62	-1.92	-51.93
CCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084145	0	34	-1.0	-47.31	300.40	-0.56	-47.87
CC(C)CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084146	0	37	-1.0	-47.02	317.13	0.04	-46.98
CC1CC1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084147	0	35	-1.0	-47.36	305.11	0.17	-47.19
CC(C)=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084148	0	35	-1.0	-47.86	308.35	-0.04	-47.90
CCCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084149	0	37	-1.0	-47.33	321.90	0.22	-47.11
CC(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084150	0	34	-1.0	-47.35	295.83	-0.88	-48.23
CCC(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084151	0	37	-1.0	-47.67	317.99	-0.19	-47.86
C=CCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084152	0	35	-1.0	-47.17	313.21	-0.00	-47.17
CC(C#N)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084153	0	32	-1.0	-50.99	295.25	-1.26	-52.25
CC=C(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084154	0	35	-1.0	-56.24	302.47	-0.47	-56.71
CCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084155	0	31	-1.0	-47.47	278.90	-1.32	-48.79
CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084156	0	28	-1.0	-47.98	258.28	-2.21	-50.19
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2CC2)C1	REAL250005084157	0	32	-1.0	-47.81	289.43	-0.56	-48.37
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2CCC2)C1	REAL250005084158	0	35	-1.0	-47.42	305.36	-0.04	-47.46
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C(N)=O)C1	REAL250005084159	0	29	-1.0	-51.12	272.05	-6.07	-57.19
CC(C)(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084160	0	37	-1.0	-47.02	310.08	-0.55	-47.57
CC1(C(=O)N2CC(C)(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005084161	0	35	-1.0	-47.81	303.36	-0.37	-48.18
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084162	0	35	-1.0	-47.96	310.44	0.03	-47.93
C[C@H]1C[C@@H]1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084163	0	35	-1.0	-47.87	310.59	0.12	-47.75
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CO)C1	REAL250005084164	0	29	-1.0	-51.28	269.37	-4.20	-55.48
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2CCO2)C1	REAL250005084165	0	33	-1.0	-51.19	297.01	-1.76	-52.95
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2COC2)C1	REAL250005084166	0	33	-1.0	-47.74	295.90	-2.91	-50.65
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C=CCO)C1	REAL250005084167	0	33	-1.0	-50.38	303.14	-4.18	-54.56
CCC=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084168	0	35	-1.0	-48.00	313.31	0.03	-47.97
C#CCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084169	0	33	-1.0	-47.92	306.18	-0.04	-47.96
C=CC(O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084170	0	33	-1.0	-47.20	298.93	-3.03	-50.23
CC(O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084171	0	32	-1.0	-48.74	287.21	-3.59	-52.33
CC(=O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084172	0	30	-1.0	-49.50	278.98	-2.27	-51.77
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2(O)CC2)C1	REAL250005084173	0	33	-1.0	-48.68	301.25	-4.04	-52.72
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2=CCC2)C1	REAL250005084174	0	33	-1.0	-49.04	295.85	-0.27	-49.31
CC=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084175	0	32	-1.0	-48.28	292.22	-0.73	-49.01
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CN=[N+]=[N-])C1	REAL250005084176	0	30	-1.0	-48.61	288.02	-5.38	-53.99
C[C@H](O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084177	0	32	-1.0	-47.20	284.86	-3.61	-50.81
CON=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084178	0	32	-1.0	-50.18	300.93	-2.85	-53.03
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084179	0	35	-1.0	-47.96	310.44	0.03	-47.93
C=C(C)CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084180	0	35	-1.0	-47.64	313.42	-0.13	-47.77
C=CCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084181	0	32	-1.0	-47.39	291.81	-0.78	-48.17
CN(C)CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084182	0	36	-1.0	-48.02	312.41	-3.01	-51.03
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CC#N)C1	REAL250005084183	0	29	-1.0	-52.45	278.36	-1.64	-54.09
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CCF)C1	REAL250005084184	0	31	-1.0	-46.99	285.49	-1.17	-48.16
C[C@@H](O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084185	0	32	-1.0	-48.63	286.99	-3.59	-52.22
C=C1CC1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084186	0	33	-1.0	-48.39	302.76	0.04	-48.35
CC1=CC1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084187	0	33	-1.0	-48.95	304.17	0.17	-48.78
C=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084188	0	29	-1.0	-48.33	270.52	-1.61	-49.94
C[C@H](O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084189	0	32	-1.0	-50.54	287.02	-3.48	-54.02
C=C1CC1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084190	0	33	-1.0	-51.40	300.39	0.19	-51.21
C=C(C)CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084191	0	35	-1.0	-50.94	310.68	0.04	-50.90
CC=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084192	0	32	-1.0	-51.08	289.79	-0.65	-51.73
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084193	0	35	-1.0	-50.68	308.12	0.19	-50.49
CCC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005084194	0	37	-1.0	-52.14	303.28	1.90	-50.24
CC(=O)N1CCC(N(C)C(=O)c2nsnc2[O-])CC1	REAL250005084195	0	34	-1.0	-52.64	282.92	1.13	-51.51
CCC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005084196	0	37	-1.0	-50.90	302.37	1.80	-49.10
CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005084197	0	34	-1.0	-51.26	280.87	0.98	-50.28
C=CC(=O)N(C)C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005084198	0	35	-1.0	-59.63	290.91	1.58	-58.05
CC(=O)NC(C)(C)C1CCCN1C(=O)c1nsnc1[O-]	REAL250005084199	0	37	-1.0	-55.32	291.93	0.77	-54.55
CC(=O)N1CCCC1C(C)(C)NC(=O)c1nsnc1[O-]	REAL250005084200	0	37	-1.0	-54.92	293.68	0.54	-54.38
CCC(=O)N(C)CC1CCCN1C(=O)c1nsnc1[O-]	REAL250005084201	0	37	-1.0	-51.53	305.61	2.05	-49.48
CC(=O)N(C)CC1CCCN1C(=O)c1nsnc1[O-]	REAL250005084202	0	34	-1.0	-51.37	284.72	1.22	-50.15
CCC(=O)N1CCCC1CN(C)C(=O)c1nsnc1[O-]	REAL250005084203	0	37	-1.0	-65.96	307.30	2.05	-63.91
CC(=O)N1CCCC1CN(C)C(=O)c1nsnc1[O-]	REAL250005084204	0	34	-1.0	-66.11	286.99	1.25	-64.86
C=CC(=O)N1CCCC1CN(C)C(=O)c1nsnc1[O-]	REAL250005084205	0	35	-1.0	-66.36	297.95	1.72	-64.64
CCC(=O)NCCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005084206	0	36	-1.0	-63.85	307.35	0.67	-63.18
CC(=O)NCCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005084207	0	33	-1.0	-63.92	287.04	-0.14	-64.06
CC(CCNC(=O)C1CC1)N(C)C(=O)c1nsnc1[O-]	REAL250005084208	0	37	-1.0	-63.31	317.86	1.45	-61.86
C=CCC(=O)NCCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005084209	0	37	-1.0	-63.91	320.26	1.21	-62.70
CC(CCNC(=O)CO)N(C)C(=O)c1nsnc1[O-]	REAL250005084210	0	34	-1.0	-69.28	297.82	-2.25	-71.53
CCC(=O)N(C)C(C)CCNC(=O)c1nsnc1[O-]	REAL250005084211	0	36	-1.0	-55.62	309.73	0.37	-55.25
CC(=O)N(C)C(C)CCNC(=O)c1nsnc1[O-]	REAL250005084212	0	33	-1.0	-56.43	288.13	-0.47	-56.90
CC(CCNC(=O)c1nsnc1[O-])N(C)C(=O)C1CC1	REAL250005084213	0	37	-1.0	-56.53	319.44	1.10	-55.43
CC(CCNC(=O)c1nsnc1[O-])N(C)C(=O)CO	REAL250005084214	0	34	-1.0	-61.04	300.20	-2.54	-63.58
CC=CC(=O)N(C)C(C)CCNC(=O)c1nsnc1[O-]	REAL250005084215	0	37	-1.0	-56.28	322.48	0.97	-55.31
C=CCC(=O)N(C)C(C)CCNC(=O)c1nsnc1[O-]	REAL250005084216	0	37	-1.0	-56.47	322.64	0.92	-55.55
CC(CCNC(=O)c1nsnc1[O-])N(C)C(=O)CC#N	REAL250005084217	0	34	-1.0	-63.73	309.19	0.05	-63.68
C=CC(=O)N(C)C(C)CCNC(=O)c1nsnc1[O-]	REAL250005084218	0	34	-1.0	-56.14	300.75	0.10	-56.04
CC=CC(=O)NCCC(C)N(C)C(=O)c1nsnc1[O-]	REAL250005084219	0	37	-1.0	-64.05	320.93	1.28	-62.77
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC(O)C1	REAL250005084220	0	32	-1.0	-56.62	266.14	-2.16	-58.78
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC(O)C1	REAL250005084221	0	32	-1.0	-56.62	266.14	-2.16	-58.78
C=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC(O)C1	REAL250005084222	0	33	-1.0	-58.63	281.43	-1.82	-60.45
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C)C1	REAL250005084223	0	34	-1.0	-49.68	278.83	1.00	-48.68
CC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C)C1	REAL250005084224	0	31	-1.0	-50.79	261.15	0.58	-50.21
C[C@H]1CN(C(=O)C2CC2)CCN1C(=O)c1nsnc1[O-]	REAL250005084225	0	35	-1.0	-50.09	292.34	2.14	-47.95
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C)C1	REAL250005084226	0	37	-1.0	-49.25	300.11	1.72	-47.53
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C)C1	REAL250005084227	0	37	-1.0	-49.77	300.51	1.86	-47.91
C[C@H]1CN(C(=O)C(N)=O)CCN1C(=O)c1nsnc1[O-]	REAL250005084228	0	32	-1.0	-48.75	275.29	-3.50	-52.25
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C)C1	REAL250005084229	0	35	-1.0	-49.46	291.56	1.49	-47.97
C[C@H]1CN(C(=O)CO)CCN1C(=O)c1nsnc1[O-]	REAL250005084230	0	32	-1.0	-54.57	272.93	-1.50	-56.07
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084231	0	37	-1.0	-49.17	299.87	1.89	-47.28
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084232	0	37	-1.0	-48.73	294.75	1.53	-47.20
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084233	0	34	-1.0	-49.51	278.42	1.12	-48.39
CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084234	0	31	-1.0	-49.87	257.14	0.28	-49.59
C[C@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)C1CC1	REAL250005084235	0	35	-1.0	-49.15	288.03	1.84	-47.31
C[C@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)C(N)=O	REAL250005084236	0	32	-1.0	-48.03	271.09	-3.75	-51.78
C[C@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)CO	REAL250005084237	0	32	-1.0	-53.38	268.88	-1.94	-55.32
CC(=O)C(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084238	0	33	-1.0	-47.73	281.56	-0.51	-48.24
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084239	0	35	-1.0	-49.37	290.84	1.68	-47.69
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084240	0	35	-1.0	-49.41	291.33	1.66	-47.75
C[C@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)CC#N	REAL250005084241	0	32	-1.0	-57.13	277.88	0.81	-56.32
C=CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084242	0	32	-1.0	-49.70	269.15	0.80	-48.90
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C)C1	REAL250005084243	0	35	-1.0	-49.52	291.06	1.53	-47.99
CC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@@H](C(C)C)C1	REAL250005084244	0	37	-1.0	-49.07	288.31	1.20	-47.87
CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@@H]1C(C)C	REAL250005084245	0	37	-1.0	-49.33	288.11	1.26	-48.07
CC(=O)N(C)CC1CCCN(C(=O)c2nsnc2[O-])C1	REAL250005084246	0	37	-1.0	-55.41	302.34	1.77	-53.64
CC(=O)N1CCCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084247	0	37	-1.0	-64.85	301.59	1.84	-63.01
CCC(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084248	0	34	-1.0	-60.20	293.27	-0.03	-60.23
CC(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084249	0	31	-1.0	-60.45	272.98	-0.85	-61.30
O=C(NC[C@@H]1CCCN1C(=O)c1nsnc1[O-])C1CC1	REAL250005084250	0	35	-1.0	-60.22	303.78	0.74	-59.48
CCCC(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084251	0	37	-1.0	-59.92	313.68	0.78	-59.14
CC(C)C(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084252	0	37	-1.0	-59.80	312.81	0.63	-59.17
NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084253	0	32	-1.0	-55.03	288.60	-4.69	-59.72
C=CCC(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084254	0	35	-1.0	-59.95	306.16	0.52	-59.43
O=C(CO)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084255	0	32	-1.0	-65.03	282.65	-2.91	-67.94
CCCC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084256	0	37	-1.0	-57.24	317.35	0.52	-56.72
CC(C)C(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084257	0	37	-1.0	-57.58	308.62	1.09	-56.49
CCC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084258	0	34	-1.0	-57.28	295.92	-0.24	-57.52
CC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084259	0	31	-1.0	-57.94	275.07	-0.98	-58.92
O=C(NC[C@@H]1CCCN1C(=O)C1CC1)c1nsnc1[O-]	REAL250005084260	0	35	-1.0	-58.17	304.96	0.52	-57.65
NC(=O)C(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084261	0	32	-1.0	-52.55	287.86	-4.87	-57.42
O=C(CO)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084262	0	32	-1.0	-62.61	286.33	-3.17	-65.78
CC(=O)C(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084263	0	33	-1.0	-52.18	295.21	-1.04	-53.22
CC=CC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084264	0	35	-1.0	-57.22	307.97	0.37	-56.85
C=CCC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084265	0	35	-1.0	-56.79	308.55	0.34	-56.45
N#CCC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084266	0	32	-1.0	-65.77	295.32	-0.56	-66.33
C=CC(=O)N1CCC[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084267	0	32	-1.0	-57.58	287.06	-0.54	-58.12
CC=CC(=O)NC[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084268	0	35	-1.0	-60.30	306.82	0.58	-59.72
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005084269	0	34	-1.0	-49.59	278.75	1.00	-48.59
CC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005084270	0	31	-1.0	-51.18	262.47	0.63	-50.55
C[C@@H]1CN(C(=O)C2CC2)CCN1C(=O)c1nsnc1[O-]	REAL250005084271	0	35	-1.0	-49.15	288.31	1.69	-47.46
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005084272	0	37	-1.0	-50.41	304.36	2.16	-48.25
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005084273	0	37	-1.0	-50.17	302.81	1.96	-48.21
C[C@@H]1CN(C(=O)C(N)=O)CCN1C(=O)c1nsnc1[O-]	REAL250005084274	0	32	-1.0	-47.84	271.16	-3.88	-51.72
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005084275	0	35	-1.0	-50.65	295.75	1.97	-48.68
C[C@@H]1CN(C(=O)CO)CCN1C(=O)c1nsnc1[O-]	REAL250005084276	0	32	-1.0	-54.80	273.30	-1.47	-56.27
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084277	0	37	-1.0	-49.82	304.29	2.18	-47.64
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084278	0	37	-1.0	-48.08	293.13	1.47	-46.61
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084279	0	34	-1.0	-48.87	278.70	1.13	-47.74
CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084280	0	31	-1.0	-50.16	256.71	0.24	-49.92
C[C@@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)C1CC1	REAL250005084281	0	35	-1.0	-48.74	288.58	1.83	-46.91
C[C@@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)C(N)=O	REAL250005084282	0	32	-1.0	-48.25	275.32	-3.46	-51.71
C[C@@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)CO	REAL250005084283	0	32	-1.0	-53.63	269.14	-1.95	-55.58
CC(=O)C(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084284	0	33	-1.0	-47.75	277.72	0.01	-47.74
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084285	0	35	-1.0	-50.03	294.86	1.98	-48.05
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084286	0	35	-1.0	-48.79	291.51	1.64	-47.15
C[C@@H]1CN(C(=O)c2nsnc2[O-])CCN1C(=O)CC#N	REAL250005084287	0	32	-1.0	-57.42	278.14	0.78	-56.64
C=CC(=O)N1CCN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084288	0	32	-1.0	-50.36	273.49	1.08	-49.28
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])[C@H](C)C1	REAL250005084289	0	35	-1.0	-50.67	295.28	2.01	-48.66
CC(=O)N1C2CCCC1CN(C(=O)c1nsnc1[O-])C2	REAL250005084290	0	35	-1.0	-50.14	276.65	2.03	-48.11
CC(=O)N1CC2CCCC(C1)N2C(=O)c1nsnc1[O-]	REAL250005084291	0	35	-1.0	-52.38	274.03	1.94	-50.44
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CCN1C	REAL250005084292	0	36	-1.0	-51.51	299.73	-2.16	-53.67
CC(=O)N1CCN(C)C(CNC(=O)c2nsnc2[O-])C1	REAL250005084293	0	36	-1.0	-53.93	302.81	-2.20	-56.13
CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1nsnc1[O-]	REAL250005084294	0	31	-1.0	-58.65	278.20	-0.71	-59.36
CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084295	0	31	-1.0	-56.47	282.08	-0.96	-57.43
CCC(=O)NCC12CC(C1)CN2C(=O)c1nsnc1[O-]	REAL250005084296	0	35	-1.0	-52.25	297.97	1.20	-51.05
CC(=O)NCC12CC(C1)CN2C(=O)c1nsnc1[O-]	REAL250005084297	0	32	-1.0	-52.24	277.66	0.39	-51.85
O=C(CO)NCC12CC(C1)CN2C(=O)c1nsnc1[O-]	REAL250005084298	0	33	-1.0	-55.47	288.44	-1.72	-57.19
CCC(=O)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005084299	0	35	-1.0	-60.58	300.85	1.16	-59.42
CC(=O)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005084300	0	32	-1.0	-60.22	279.64	0.39	-59.83
O=C(CO)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005084301	0	33	-1.0	-66.08	291.32	-1.88	-67.96
C=CC(=O)N1CC2CC1(CNC(=O)c1nsnc1[O-])C2	REAL250005084302	0	33	-1.0	-60.82	292.15	0.87	-59.95
CC(=O)NC1CCC2CN(C(=O)c3nsnc3[O-])CC21	REAL250005084303	0	35	-1.0	-55.05	294.57	0.14	-54.91
CC(=O)N1CC2CCC(NC(=O)c3nsnc3[O-])C2C1	REAL250005084304	0	35	-1.0	-55.09	294.90	0.13	-54.96
CC(=O)NC1C(C)CCN(C(=O)c2nsnc2[O-])C1C	REAL250005084305	0	37	-1.0	-59.91	294.31	0.34	-59.57
CC(=O)N1CCC(C)C(NC(=O)c2nsnc2[O-])C1C	REAL250005084306	0	37	-1.0	-62.92	301.72	0.53	-62.39
CCC(=O)NCC1(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005084307	0	37	-1.0	-57.26	306.18	1.13	-56.13
CC(=O)NCC1(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005084308	0	34	-1.0	-57.19	286.61	0.31	-56.88
CCC(=O)N1CCCC1(C)CNC(=O)c1nsnc1[O-]	REAL250005084309	0	37	-1.0	-56.29	309.31	0.85	-55.44
CC(=O)N1CCCC1(C)CNC(=O)c1nsnc1[O-]	REAL250005084310	0	34	-1.0	-56.37	288.09	0.07	-56.30
C=CC(=O)N1CCCC1(C)CNC(=O)c1nsnc1[O-]	REAL250005084311	0	35	-1.0	-56.56	300.94	0.63	-55.93
CCC(=O)NC1CC2CN(C(=O)c3nsnc3[O-])CC21	REAL250005084312	0	35	-1.0	-51.47	296.77	0.87	-50.60
CC(=O)NC1CC2CN(C(=O)c3nsnc3[O-])CC21	REAL250005084313	0	32	-1.0	-56.02	279.32	-0.47	-56.49
O=C(CO)NC1CC2CN(C(=O)c3nsnc3[O-])CC21	REAL250005084314	0	33	-1.0	-62.52	290.09	-2.42	-64.94
CCC(=O)N1CC2CC(NC(=O)c3nsnc3[O-])C2C1	REAL250005084315	0	35	-1.0	-53.20	299.52	0.32	-52.88
CC(=O)N1CC2CC(NC(=O)c3nsnc3[O-])C2C1	REAL250005084316	0	32	-1.0	-53.22	282.73	-0.63	-53.85
O=C(CO)N1CC2CC(NC(=O)c3nsnc3[O-])C2C1	REAL250005084317	0	33	-1.0	-58.05	289.99	-2.57	-60.62
C=CC(=O)N1CC2CC(NC(=O)c3nsnc3[O-])C2C1	REAL250005084318	0	33	-1.0	-52.98	294.14	-0.16	-53.14
CC(=O)NCC1CCC12CN(C(=O)c1nsnc1[O-])C2	REAL250005084319	0	35	-1.0	-59.01	306.96	-0.11	-59.12
CC(=O)N1CC2(CCC2CNC(=O)c2nsnc2[O-])C1	REAL250005084320	0	35	-1.0	-55.15	309.23	-0.21	-55.36
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084321	0	34	-1.0	-50.73	282.79	1.42	-49.31
CC(=O)N1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084322	0	31	-1.0	-51.16	262.48	0.64	-50.52
CC1CN(C(=O)C2CC2)CCN1C(=O)c1nsnc1[O-]	REAL250005084323	0	35	-1.0	-49.11	288.29	1.70	-47.41
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084324	0	37	-1.0	-50.38	304.29	2.19	-48.19
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084325	0	37	-1.0	-49.92	302.17	1.93	-47.99
CC1CN(C(=O)C(N)=O)CCN1C(=O)c1nsnc1[O-]	REAL250005084326	0	32	-1.0	-48.80	275.57	-3.42	-52.22
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084327	0	35	-1.0	-50.59	295.70	1.96	-48.63
CC1CN(C(=O)CO)CCN1C(=O)c1nsnc1[O-]	REAL250005084328	0	32	-1.0	-54.80	273.26	-1.48	-56.28
CCCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084329	0	37	-1.0	-49.88	304.32	2.19	-47.69
CC(C)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084330	0	37	-1.0	-49.61	300.79	1.87	-47.74
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084331	0	34	-1.0	-50.19	282.82	1.43	-48.76
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084332	0	31	-1.0	-49.19	258.09	0.32	-48.87
CC1CN(C(=O)c2nsnc2[O-])CCN1C(=O)C1CC1	REAL250005084333	0	35	-1.0	-49.82	292.82	2.14	-47.68
CC1CN(C(=O)c2nsnc2[O-])CCN1C(=O)C(N)=O	REAL250005084334	0	32	-1.0	-48.18	275.08	-3.46	-51.64
CC1CN(C(=O)c2nsnc2[O-])CCN1C(=O)CO	REAL250005084335	0	32	-1.0	-54.29	273.29	-1.47	-55.76
CC(=O)C(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084336	0	33	-1.0	-47.93	286.52	-0.15	-48.08
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084337	0	35	-1.0	-49.94	294.90	1.99	-47.95
C=CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084338	0	35	-1.0	-50.06	295.73	1.97	-48.09
CC1CN(C(=O)c2nsnc2[O-])CCN1C(=O)CC#N	REAL250005084339	0	32	-1.0	-58.03	282.28	1.11	-56.92
C=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084340	0	32	-1.0	-50.26	273.18	1.11	-49.15
CC=CC(=O)N1CCN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084341	0	35	-1.0	-50.48	295.30	2.00	-48.48
CCC(=O)NC1(C)CCCN(C(=O)c2nsnc2[O-])C1	REAL250005084342	0	37	-1.0	-57.36	299.26	0.71	-56.65
CC(=O)NC1(C)CCCN(C(=O)c2nsnc2[O-])C1	REAL250005084343	0	34	-1.0	-57.25	278.97	-0.11	-57.36
CCC(=O)N1CCCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084344	0	37	-1.0	-64.48	302.12	0.37	-64.11
CC(=O)N1CCCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084345	0	34	-1.0	-64.39	281.78	-0.40	-64.79
C=CC(=O)N1CCCC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084346	0	35	-1.0	-64.70	292.83	0.07	-64.63
CC(=O)N[C@H]1C[C@H](F)CN(C(=O)c2nsnc2[O-])C1	REAL250005084347	0	31	-1.0	-65.80	273.80	-0.78	-66.58
CC(=O)N1C[C@@H](F)C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084348	0	31	-1.0	-52.41	275.99	-0.98	-53.39
CC(=O)NCCC1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005084349	0	32	-1.0	-60.74	290.35	-4.25	-64.99
CC(=O)N1CC(O)(CCNC(=O)c2nsnc2[O-])C1	REAL250005084350	0	32	-1.0	-53.75	292.49	-4.36	-58.11
C=CC(=O)N1CC(O)(CCNC(=O)c2nsnc2[O-])C1	REAL250005084351	0	33	-1.0	-54.00	304.52	-3.84	-57.84
CC(=O)NC1COCCN(C(=O)c2nsnc2[O-])C1	REAL250005084352	0	32	-1.0	-50.03	274.42	-1.58	-51.61
CC(=O)N1CCOCC(NC(=O)c2nsnc2[O-])C1	REAL250005084353	0	32	-1.0	-52.65	277.02	-1.93	-54.58
C=CC(=O)N1CCOCC(NC(=O)c2nsnc2[O-])C1	REAL250005084354	0	33	-1.0	-52.41	290.07	-1.40	-53.81
CCC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084355	0	35	-1.0	-62.39	304.83	1.08	-61.31
CC(=O)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084356	0	32	-1.0	-61.57	283.20	0.23	-61.34
O=C(CO)N1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084357	0	33	-1.0	-57.98	295.49	-1.87	-59.85
CCC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005084358	0	35	-1.0	-53.15	302.99	1.23	-51.92
CC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005084359	0	32	-1.0	-51.82	283.34	0.33	-51.49
O=C(CO)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005084360	0	33	-1.0	-55.65	294.43	-1.74	-57.39
C=CC(=O)N1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005084361	0	33	-1.0	-59.17	294.70	0.90	-58.27
CC(=O)NCC12CC(CO1)N(C(=O)c1nsnc1[O-])C2	REAL250005084362	0	33	-1.0	-51.84	291.20	-2.01	-53.85
CC(=O)N1CC2(CNC(=O)c3nsnc3[O-])CC1CO2	REAL250005084363	0	33	-1.0	-49.11	293.39	-2.22	-51.33
CC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nsnc1[O-]	REAL250005084364	0	35	-1.0	-55.42	280.66	1.76	-53.66
CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1nsnc1[O-])C2	REAL250005084365	0	35	-1.0	-51.78	282.86	1.43	-50.35
CC(=O)NC[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1O	REAL250005084366	0	32	-1.0	-55.67	285.60	-4.23	-59.90
CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005084367	0	32	-1.0	-60.15	286.39	-4.47	-64.62
C=CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nsnc2[O-])C1	REAL250005084368	0	33	-1.0	-60.14	299.24	-3.97	-64.11
CC(=O)N1CCC2(CCCN2C(=O)c2nsnc2[O-])C1	REAL250005084369	0	35	-1.0	-56.36	285.81	1.95	-54.41
CC(=O)N1CCCC12CCN(C(=O)c1nsnc1[O-])C2	REAL250005084370	0	35	-1.0	-61.99	286.64	1.34	-60.65
CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)c2nsnc2[O-])C1	REAL250005084371	0	31	-1.0	-56.52	275.00	-0.72	-57.24
CC(=O)N1C[C@H](F)C[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084372	0	31	-1.0	-46.03	276.92	-0.95	-46.98
CCC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1(C)C	REAL250005084373	0	37	-1.0	-49.80	305.63	0.89	-48.91
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C1(C)C	REAL250005084374	0	34	-1.0	-50.19	285.34	0.07	-50.12
CCC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1(C)C	REAL250005084375	0	37	-1.0	-47.78	308.90	0.72	-47.06
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1(C)C	REAL250005084376	0	34	-1.0	-48.64	288.25	-0.20	-48.84
C=CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C1(C)C	REAL250005084377	0	35	-1.0	-47.98	299.82	0.41	-47.57
CCC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084378	0	37	-1.0	-45.34	299.52	1.37	-43.97
CC(=O)N[C@@H]1CCCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084379	0	34	-1.0	-45.69	279.17	0.59	-45.10
CCC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084380	0	37	-1.0	-52.79	302.41	1.31	-51.48
CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084381	0	34	-1.0	-52.34	281.11	0.44	-51.90
C=CC(=O)N1CCC[C@@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084382	0	35	-1.0	-52.94	293.24	1.00	-51.94
CC(=O)NC1CCCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084383	0	37	-1.0	-51.84	288.67	1.03	-50.81
CC(=O)N1CCCCC(NC(=O)c2nsnc2[O-])CC1	REAL250005084384	0	37	-1.0	-47.60	294.29	0.77	-46.83
CC(=O)NC1CC2CN(C(=O)c3nsnc3[O-])CC2C1	REAL250005084385	0	35	-1.0	-55.37	295.23	0.19	-55.18
CC(=O)N1CC2CC(NC(=O)c3nsnc3[O-])CC2C1	REAL250005084386	0	35	-1.0	-50.96	298.08	-0.08	-51.04
CCC(=O)NC1(C2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005084387	0	35	-1.0	-51.01	301.38	0.51	-50.50
CC(=O)NC1(C2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005084388	0	32	-1.0	-51.38	280.79	-0.31	-51.69
O=C(CO)NC1(C2CN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005084389	0	33	-1.0	-55.07	291.85	-2.58	-57.65
CCC(=O)N1CC(C2(NC(=O)c3nsnc3[O-])CC2)C1	REAL250005084390	0	35	-1.0	-52.11	303.94	0.30	-51.81
CC(=O)N1CC(C2(NC(=O)c3nsnc3[O-])CC2)C1	REAL250005084391	0	32	-1.0	-52.55	283.63	-0.50	-53.05
O=C(CO)N1CC(C2(NC(=O)c3nsnc3[O-])CC2)C1	REAL250005084392	0	33	-1.0	-56.68	294.41	-2.58	-59.26
C=CC(=O)N1CC(C2(NC(=O)c3nsnc3[O-])CC2)C1	REAL250005084393	0	33	-1.0	-52.44	295.54	0.01	-52.43
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])CC1C	REAL250005084394	0	37	-1.0	-55.52	300.97	0.63	-54.89
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C(C)C1	REAL250005084395	0	37	-1.0	-51.70	303.09	0.40	-51.30
CC(=O)NC1CCCN(C(=O)c2nsnc2[O-])CCC1	REAL250005084396	0	37	-1.0	-67.52	288.30	1.19	-66.33
CC(=O)N1CCCC(NC(=O)c2nsnc2[O-])CCC1	REAL250005084397	0	37	-1.0	-64.30	290.82	0.57	-63.73
CCC(=O)N[C@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084398	0	34	-1.0	-54.51	300.33	-0.27	-54.78
CC(=O)N[C@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084399	0	31	-1.0	-54.76	280.04	-1.09	-55.85
C[C@@H](NC(=O)C1CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084400	0	35	-1.0	-53.92	311.09	0.39	-53.53
CCCC(=O)N[C@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084401	0	37	-1.0	-54.32	321.83	0.49	-53.83
CC(C)C(=O)N[C@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084402	0	37	-1.0	-54.06	319.90	0.40	-53.66
C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084403	0	32	-1.0	-53.58	295.68	-4.93	-58.51
C=CCC(=O)N[C@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084404	0	35	-1.0	-54.67	313.24	0.27	-54.40
C[C@@H](NC(=O)CO)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084405	0	32	-1.0	-59.07	290.80	-3.19	-62.26
CCCC(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084406	0	37	-1.0	-49.81	324.37	0.34	-49.47
CC(C)C(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084407	0	37	-1.0	-54.03	323.03	0.19	-53.84
CCC(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084408	0	34	-1.0	-50.30	303.03	-0.35	-50.65
CC(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084409	0	31	-1.0	-54.51	283.69	-1.04	-55.55
C[C@@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)C2CC2)C1	REAL250005084410	0	35	-1.0	-50.37	313.29	0.41	-49.96
C[C@@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)C(N)=O)C1	REAL250005084411	0	32	-1.0	-51.38	296.17	-5.11	-56.49
C[C@@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)CO)C1	REAL250005084412	0	32	-1.0	-54.54	293.49	-3.23	-57.77
CC(=O)C(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084413	0	33	-1.0	-50.12	303.57	-1.29	-51.41
CC=CC(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084414	0	35	-1.0	-50.74	316.36	0.25	-50.49
C=CCC(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084415	0	35	-1.0	-50.30	315.94	0.20	-50.10
C[C@@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)CC#N)C1	REAL250005084416	0	32	-1.0	-56.94	302.49	-0.67	-57.61
C=CC(=O)N1CC([C@@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084417	0	32	-1.0	-50.83	294.63	-0.65	-51.48
CC=CC(=O)N[C@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084418	0	35	-1.0	-54.43	313.90	0.36	-54.07
CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084419	0	34	-1.0	-50.73	292.23	-0.03	-50.76
CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084420	0	31	-1.0	-51.09	271.93	-0.84	-51.93
C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1nsnc1[O-]	REAL250005084421	0	35	-1.0	-50.38	302.75	0.74	-49.64
CCCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084422	0	37	-1.0	-50.47	313.72	0.75	-49.72
CC(C)C(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084423	0	37	-1.0	-50.19	311.75	0.63	-49.56
C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1nsnc1[O-]	REAL250005084424	0	32	-1.0	-50.86	287.52	-4.69	-55.55
C=CCC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084425	0	35	-1.0	-50.88	305.17	0.53	-50.35
C[C@@H]1[C@@H](NC(=O)CO)CCN1C(=O)c1nsnc1[O-]	REAL250005084426	0	32	-1.0	-54.82	282.68	-2.94	-57.76
CCCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084427	0	37	-1.0	-48.79	316.79	0.52	-48.27
CC(C)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084428	0	37	-1.0	-48.33	310.59	0.12	-48.21
CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084429	0	34	-1.0	-48.81	295.38	-0.24	-49.05
CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084430	0	31	-1.0	-49.10	274.42	-1.07	-50.17
C[C@@H]1[C@@H](NC(=O)c2nsnc2[O-])CCN1C(=O)C1CC1	REAL250005084431	0	35	-1.0	-48.51	305.87	0.51	-48.00
C[C@@H]1[C@@H](NC(=O)c2nsnc2[O-])CCN1C(=O)C(N)=O	REAL250005084432	0	32	-1.0	-47.01	287.86	-4.92	-51.93
C[C@@H]1[C@@H](NC(=O)c2nsnc2[O-])CCN1C(=O)CO	REAL250005084433	0	32	-1.0	-53.42	285.76	-3.16	-56.58
CC(=O)C(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084434	0	33	-1.0	-46.42	294.28	-1.11	-47.53
CC=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084435	0	35	-1.0	-48.74	308.04	0.34	-48.40
C=CCC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084436	0	35	-1.0	-48.75	308.30	0.30	-48.45
C[C@@H]1[C@@H](NC(=O)c2nsnc2[O-])CCN1C(=O)CC#N	REAL250005084437	0	32	-1.0	-56.92	294.75	-0.56	-57.48
C=CC(=O)N1CC[C@H](NC(=O)c2nsnc2[O-])[C@H]1C	REAL250005084438	0	32	-1.0	-49.10	286.28	-0.55	-49.65
CC=CC(=O)N[C@H]1CCN(C(=O)c2nsnc2[O-])[C@@H]1C	REAL250005084439	0	35	-1.0	-50.73	305.71	0.60	-50.13
CC(=O)NC1(C2CCN(C(=O)c3nsnc3[O-])C2)CC1	REAL250005084440	0	35	-1.0	-54.56	291.84	-0.03	-54.59
CC(=O)N1CCC(C2(NC(=O)c3nsnc3[O-])CC2)C1	REAL250005084441	0	35	-1.0	-54.37	299.41	0.30	-54.07
CC(=O)N1CCCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084442	0	35	-1.0	-56.77	295.79	1.08	-55.69
CC(=O)N1CC2(C1)CCCN(C(=O)c1nsnc1[O-])C2	REAL250005084443	0	35	-1.0	-58.67	295.44	1.22	-57.45
CCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084444	0	37	-1.0	-51.68	306.30	2.01	-49.67
CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084445	0	34	-1.0	-67.25	285.74	1.09	-66.16
CCC(=O)N1CCC[C@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005084446	0	37	-1.0	-49.99	306.66	2.07	-47.92
CC(=O)N1CCC[C@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005084447	0	34	-1.0	-66.81	286.17	1.18	-65.63
C=CC(=O)N1CCC[C@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005084448	0	35	-1.0	-50.79	297.01	1.77	-49.02
CC(=O)N1CC(C2CCN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084449	0	35	-1.0	-59.16	303.73	1.26	-57.90
CC(=O)N1CCC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084450	0	35	-1.0	-57.47	305.83	1.24	-56.23
CCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084451	0	34	-1.0	-61.26	293.05	-0.05	-61.31
CC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084452	0	31	-1.0	-60.24	271.93	-0.82	-61.06
O=C(NC[C@H]1CCCN1C(=O)c1nsnc1[O-])C1CC1	REAL250005084453	0	35	-1.0	-60.14	303.71	0.77	-59.37
CCCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084454	0	37	-1.0	-60.04	314.72	0.74	-59.30
CC(C)C(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084455	0	37	-1.0	-59.81	311.78	0.66	-59.15
NC(=O)C(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084456	0	32	-1.0	-54.81	287.56	-4.65	-59.46
C=CCC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084457	0	35	-1.0	-61.36	305.97	0.49	-60.87
O=C(CO)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084458	0	32	-1.0	-66.36	283.52	-2.97	-69.33
CCCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084459	0	37	-1.0	-56.20	317.54	0.55	-55.65
CC(C)C(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084460	0	37	-1.0	-56.95	310.49	0.13	-56.82
CCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084461	0	34	-1.0	-56.83	295.65	-0.18	-57.01
CC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084462	0	31	-1.0	-57.37	274.20	-1.09	-58.46
O=C(NC[C@H]1CCCN1C(=O)C1CC1)c1nsnc1[O-]	REAL250005084463	0	35	-1.0	-57.16	305.15	0.52	-56.64
NC(=O)C(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084464	0	32	-1.0	-52.95	288.71	-4.91	-57.86
O=C(CO)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084465	0	32	-1.0	-61.40	286.54	-3.14	-64.54
CC(=O)C(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084466	0	33	-1.0	-52.51	296.05	-1.09	-53.60
CC=CC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084467	0	35	-1.0	-57.63	308.73	0.36	-57.27
C=CCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084468	0	35	-1.0	-57.10	308.54	0.32	-56.78
N#CCC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084469	0	32	-1.0	-64.58	295.53	-0.53	-65.11
C=CC(=O)N1CCC[C@@H]1CNC(=O)c1nsnc1[O-]	REAL250005084470	0	32	-1.0	-57.65	287.07	-0.53	-58.18
CC=CC(=O)NC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084471	0	35	-1.0	-60.11	305.78	0.61	-59.50
CC(=O)NCCCCC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084472	0	37	-1.0	-58.38	325.33	0.58	-57.80
CC(=O)N1CC(CCCCNC(=O)c2nsnc2[O-])C1	REAL250005084473	0	37	-1.0	-53.71	327.41	0.47	-53.24
CC(=O)N[C@H]1CC[C@@H](N(C)C(=O)c2nsnc2[O-])CC1	REAL250005084474	0	37	-1.0	-54.22	302.62	1.07	-53.15
CC(=O)N(C)[C@H]1CC[C@@H](NC(=O)c2nsnc2[O-])CC1	REAL250005084475	0	37	-1.0	-51.58	303.99	0.73	-50.85
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])C12CCC2	REAL250005084476	0	35	-1.0	-48.89	291.09	0.05	-48.84
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C12CCC2	REAL250005084477	0	35	-1.0	-47.75	293.89	0.01	-47.74
CCC(=O)NCC1(F)CN(C(=O)c2nsnc2[O-])C1	REAL250005084478	0	31	-1.0	-53.87	287.14	-0.86	-54.73
CC(=O)NCC1(F)CN(C(=O)c2nsnc2[O-])C1	REAL250005084479	0	28	-1.0	-54.15	266.55	-1.66	-55.81
O=C(CO)NCC1(F)CN(C(=O)c2nsnc2[O-])C1	REAL250005084480	0	29	-1.0	-58.12	277.61	-3.78	-61.90
CCC(=O)N1CC(F)(CNC(=O)c2nsnc2[O-])C1	REAL250005084481	0	31	-1.0	-50.45	289.76	-0.96	-51.41
CC(=O)N1CC(F)(CNC(=O)c2nsnc2[O-])C1	REAL250005084482	0	28	-1.0	-50.83	268.58	-1.88	-52.71
O=C(CO)N1CC(F)(CNC(=O)c2nsnc2[O-])C1	REAL250005084483	0	29	-1.0	-55.04	280.01	-3.92	-58.96
N#CCC(=O)N1CC(F)(CNC(=O)c2nsnc2[O-])C1	REAL250005084484	0	29	-1.0	-57.80	289.00	-1.35	-59.15
C=CC(=O)N1CC(F)(CNC(=O)c2nsnc2[O-])C1	REAL250005084485	0	29	-1.0	-51.02	281.25	-1.33	-52.35
CC(=O)NC[C@@H]1CC(C)(C)CN1C(=O)c1nsnc1[O-]	REAL250005084486	0	37	-1.0	-59.92	313.13	0.21	-59.71
CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)c1nsnc1[O-]	REAL250005084487	0	37	-1.0	-55.86	313.89	0.00	-55.86
CC(=O)NCC1CC(C)(C)CN1C(=O)c1nsnc1[O-]	REAL250005084488	0	37	-1.0	-59.84	312.46	0.27	-59.57
CC(=O)N1CC(C)(C)CC1CNC(=O)c1nsnc1[O-]	REAL250005084489	0	37	-1.0	-56.45	316.03	0.06	-56.39
CCC(=O)NCC12CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005084490	0	35	-1.0	-51.33	304.10	0.94	-50.39
CC(=O)NCC12CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005084491	0	32	-1.0	-51.75	283.79	0.13	-51.62
O=C(CO)NCC12CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005084492	0	33	-1.0	-55.29	294.57	-1.98	-57.27
CCC(=O)N1CC2CC2(CNC(=O)c2nsnc2[O-])C1	REAL250005084493	0	35	-1.0	-56.85	307.51	0.53	-56.32
CC(=O)N1CC2CC2(CNC(=O)c2nsnc2[O-])C1	REAL250005084494	0	32	-1.0	-57.08	287.21	-0.26	-57.34
O=C(CO)N1CC2CC2(CNC(=O)c2nsnc2[O-])C1	REAL250005084495	0	33	-1.0	-62.10	297.98	-2.35	-64.45
C=CC(=O)N1CC2CC2(CNC(=O)c2nsnc2[O-])C1	REAL250005084496	0	33	-1.0	-53.53	298.17	0.36	-53.17
CC(=O)NC12CC1CN(C(=O)c1nsnc1[O-])CCC2	REAL250005084497	0	35	-1.0	-50.27	289.92	0.67	-49.60
CC(=O)N1CCCC2(NC(=O)c3nsnc3[O-])CC2C1	REAL250005084498	0	35	-1.0	-59.27	287.89	-0.08	-59.35
CCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084499	0	31	-1.0	-50.71	276.23	-1.25	-51.96
CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084500	0	28	-1.0	-51.26	255.86	-1.98	-53.24
CC1(NC(=O)C2CC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084501	0	32	-1.0	-51.19	287.00	-0.39	-51.58
CC1(NC(=O)C2CCC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084502	0	35	-1.0	-50.84	303.06	0.12	-50.72
CC1(NC(=O)CC2CC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084503	0	35	-1.0	-50.86	307.17	0.38	-50.48
COCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084504	0	32	-1.0	-53.21	288.88	-1.90	-55.11
CCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084505	0	34	-1.0	-50.71	297.65	-0.39	-51.10
CC(C)CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084506	0	37	-1.0	-50.42	314.38	0.19	-50.23
CC1CC1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084507	0	35	-1.0	-50.55	302.69	0.34	-50.21
CC(C)=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084508	0	35	-1.0	-50.76	305.90	0.05	-50.71
CCCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084509	0	37	-1.0	-50.76	319.15	0.39	-50.37
CC(C)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084510	0	34	-1.0	-50.61	295.77	-0.60	-51.21
CCC(C)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084511	0	37	-1.0	-50.30	313.91	0.05	-50.25
C=CCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084512	0	35	-1.0	-50.54	310.46	0.17	-50.37
CC=C(C)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084513	0	35	-1.0	-51.17	304.53	0.02	-51.15
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084514	0	35	-1.0	-50.68	308.12	0.19	-50.49
C[C@H]1C[C@@H]1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084515	0	35	-1.0	-50.76	308.12	0.20	-50.56
CC1(NC(=O)C(N)=O)CN(C(=O)c2nsnc2[O-])C1	REAL250005084516	0	29	-1.0	-53.57	271.58	-5.93	-59.50
C=CCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084517	0	32	-1.0	-50.62	289.14	-0.71	-51.33
CN(C)CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084518	0	36	-1.0	-51.29	309.66	-2.84	-54.13
C=CC(O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084519	0	33	-1.0	-50.62	300.23	-2.94	-53.56
CC1(NC(=O)C2COC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084520	0	33	-1.0	-51.08	293.54	-2.75	-53.83
CCC=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084521	0	35	-1.0	-50.87	310.88	0.11	-50.76
CC1(NC(=O)CN=[N+]=[N-])CN(C(=O)c2nsnc2[O-])C1	REAL250005084522	0	30	-1.0	-52.34	285.27	-5.21	-57.55
CC1(NC(=O)CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084523	0	29	-1.0	-54.55	266.63	-4.18	-58.73
CC(O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084524	0	32	-1.0	-52.00	287.05	-3.39	-55.39
CC1(NC(=O)CCF)CN(C(=O)c2nsnc2[O-])C1	REAL250005084525	0	31	-1.0	-50.55	282.75	-1.02	-51.57
C#CCCC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084526	0	33	-1.0	-51.34	303.43	0.12	-51.22
CC1(NC(=O)C2CCO2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084527	0	33	-1.0	-53.62	294.72	-1.72	-55.34
CC1=CC1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084528	0	33	-1.0	-52.26	301.77	0.33	-51.93
C[C@@H](O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084529	0	32	-1.0	-54.15	287.36	-3.42	-57.57
CC1(NC(=O)C=CCO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084530	0	33	-1.0	-53.32	300.89	-4.01	-57.33
CC1(NC(=O)C2=CCC2)CN(C(=O)c2nsnc2[O-])C1	REAL250005084531	0	33	-1.0	-51.99	297.26	0.18	-51.81
CON=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084532	0	32	-1.0	-52.77	298.68	-2.69	-55.46
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CC2CC2)C1	REAL250005084533	0	35	-1.0	-47.54	309.62	0.22	-47.32
COCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084534	0	32	-1.0	-50.01	291.62	-1.92	-51.93
CCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084535	0	34	-1.0	-47.31	300.40	-0.56	-47.87
CC(C)CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084536	0	37	-1.0	-47.02	317.13	0.04	-46.98
CC1CC1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084537	0	35	-1.0	-47.36	305.11	0.17	-47.19
CC(C)=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084538	0	35	-1.0	-47.86	308.35	-0.04	-47.90
CCCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084539	0	37	-1.0	-47.33	321.90	0.22	-47.11
CC(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084540	0	34	-1.0	-47.35	295.83	-0.88	-48.23
CCC(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084541	0	37	-1.0	-47.67	317.99	-0.19	-47.86
C=CCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084542	0	35	-1.0	-47.17	313.21	-0.00	-47.17
CC(C#N)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084543	0	32	-1.0	-50.99	295.25	-1.26	-52.25
CC=C(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084544	0	35	-1.0	-56.24	302.47	-0.47	-56.71
CCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084545	0	31	-1.0	-47.47	278.90	-1.32	-48.79
CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084546	0	28	-1.0	-47.98	258.28	-2.21	-50.19
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2CC2)C1	REAL250005084547	0	32	-1.0	-47.81	289.43	-0.56	-48.37
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2CCC2)C1	REAL250005084548	0	35	-1.0	-47.42	305.36	-0.04	-47.46
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C(N)=O)C1	REAL250005084549	0	29	-1.0	-51.12	272.05	-6.07	-57.19
CC(C)(C)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084550	0	37	-1.0	-47.02	310.08	-0.55	-47.57
CC1(C(=O)N2CC(C)(NC(=O)c3nsnc3[O-])C2)CC1	REAL250005084551	0	35	-1.0	-47.81	303.36	-0.37	-48.18
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084552	0	35	-1.0	-47.96	310.44	0.03	-47.93
C[C@H]1C[C@@H]1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084553	0	35	-1.0	-47.87	310.59	0.12	-47.75
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CO)C1	REAL250005084554	0	29	-1.0	-51.28	269.37	-4.20	-55.48
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2CCO2)C1	REAL250005084555	0	33	-1.0	-51.19	297.01	-1.76	-52.95
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2COC2)C1	REAL250005084556	0	33	-1.0	-47.74	295.90	-2.91	-50.65
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C=CCO)C1	REAL250005084557	0	33	-1.0	-50.38	303.14	-4.18	-54.56
CCC=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084558	0	35	-1.0	-48.00	313.31	0.03	-47.97
C#CCCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084559	0	33	-1.0	-47.92	306.18	-0.04	-47.96
C=CC(O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084560	0	33	-1.0	-47.20	298.93	-3.03	-50.23
CC(O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084561	0	32	-1.0	-48.74	287.21	-3.59	-52.33
CC(=O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084562	0	30	-1.0	-49.50	278.98	-2.27	-51.77
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2(O)CC2)C1	REAL250005084563	0	33	-1.0	-48.68	301.25	-4.04	-52.72
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)C2=CCC2)C1	REAL250005084564	0	33	-1.0	-49.04	295.85	-0.27	-49.31
CC=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084565	0	32	-1.0	-48.28	292.22	-0.73	-49.01
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CN=[N+]=[N-])C1	REAL250005084566	0	30	-1.0	-48.61	288.02	-5.38	-53.99
C[C@H](O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084567	0	32	-1.0	-47.20	284.86	-3.61	-50.81
CON=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084568	0	32	-1.0	-50.18	300.93	-2.85	-53.03
C[C@@H]1C[C@H]1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084569	0	35	-1.0	-47.96	310.44	0.03	-47.93
C=C(C)CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084570	0	35	-1.0	-47.64	313.42	-0.13	-47.77
C=CCC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084571	0	32	-1.0	-47.39	291.81	-0.78	-48.17
CN(C)CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084572	0	36	-1.0	-48.02	312.41	-3.01	-51.03
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CC#N)C1	REAL250005084573	0	29	-1.0	-52.45	278.36	-1.64	-54.09
CC1(NC(=O)c2nsnc2[O-])CN(C(=O)CCF)C1	REAL250005084574	0	31	-1.0	-46.99	285.49	-1.17	-48.16
C[C@@H](O)C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084575	0	32	-1.0	-48.63	286.99	-3.59	-52.22
C=C1CC1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084576	0	33	-1.0	-48.39	302.76	0.04	-48.35
CC1=CC1C(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084577	0	33	-1.0	-48.95	304.17	0.17	-48.78
C=CC(=O)N1CC(C)(NC(=O)c2nsnc2[O-])C1	REAL250005084578	0	29	-1.0	-48.33	270.52	-1.61	-49.94
C[C@H](O)C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084579	0	32	-1.0	-50.54	287.02	-3.48	-54.02
C=C1CC1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084580	0	33	-1.0	-51.40	300.39	0.19	-51.21
C=C(C)CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084581	0	35	-1.0	-50.94	310.68	0.04	-50.90
CC=CC(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084582	0	32	-1.0	-51.08	289.79	-0.65	-51.73
C[C@@H]1C[C@H]1C(=O)NC1(C)CN(C(=O)c2nsnc2[O-])C1	REAL250005084583	0	35	-1.0	-50.68	308.12	0.19	-50.49
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CCC1(C)C	REAL250005084584	0	37	-1.0	-51.56	298.15	0.49	-51.07
CC(=O)N1CCC(C)(C)C(NC(=O)c2nsnc2[O-])C1	REAL250005084585	0	37	-1.0	-62.37	299.27	0.23	-62.14
CC(=O)NC1CCN(C(=O)c2nsnc2[O-])CC1F	REAL250005084586	0	31	-1.0	-49.19	274.91	-0.71	-49.90
CC(=O)N1CCC(NC(=O)c2nsnc2[O-])C(F)C1	REAL250005084587	0	31	-1.0	-52.67	274.75	-0.98	-53.65
CC(=O)NC1CCC2CC1CN2C(=O)c1nsnc1[O-]	REAL250005084588	0	35	-1.0	-54.63	286.19	1.06	-53.57
CC(=O)N1CC2CC1CCC2NC(=O)c1nsnc1[O-]	REAL250005084589	0	35	-1.0	-48.64	288.45	0.85	-47.79
CC(=O)NCC1CCCCN(C(=O)c2nsnc2[O-])C1	REAL250005084590	0	37	-1.0	-49.48	289.41	1.44	-48.04
CC(=O)N1CCCCC(CNC(=O)c2nsnc2[O-])C1	REAL250005084591	0	37	-1.0	-54.40	306.62	0.79	-53.61
CCC(=O)N[C@@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084592	0	34	-1.0	-54.51	300.33	-0.28	-54.79
CC(=O)N[C@@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084593	0	31	-1.0	-54.80	280.04	-1.10	-55.90
C[C@H](NC(=O)C1CC1)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084594	0	35	-1.0	-54.23	312.22	0.62	-53.61
CCCC(=O)N[C@@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084595	0	37	-1.0	-54.32	321.83	0.48	-53.84
CC(C)C(=O)N[C@@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084596	0	37	-1.0	-54.04	319.88	0.39	-53.65
C[C@H](NC(=O)C(N)=O)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084597	0	32	-1.0	-53.57	295.68	-4.94	-58.51
C=CCC(=O)N[C@@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084598	0	35	-1.0	-54.63	313.24	0.26	-54.37
C[C@H](NC(=O)CO)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084599	0	32	-1.0	-59.06	290.80	-3.20	-62.26
CCCC(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084600	0	37	-1.0	-49.79	324.37	0.31	-49.48
CC(C)C(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084601	0	37	-1.0	-53.83	320.89	0.20	-53.63
CCC(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084602	0	34	-1.0	-54.09	303.96	-0.24	-54.33
CC(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084603	0	31	-1.0	-50.44	281.93	-1.27	-51.71
C[C@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)C2CC2)C1	REAL250005084604	0	35	-1.0	-50.37	313.56	0.42	-49.95
C[C@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)C(N)=O)C1	REAL250005084605	0	32	-1.0	-51.23	296.09	-5.20	-56.43
C[C@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)CO)C1	REAL250005084606	0	32	-1.0	-54.36	293.34	-3.33	-57.69
CC(=O)C(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084607	0	33	-1.0	-50.38	304.51	-1.17	-51.55
CC=CC(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084608	0	35	-1.0	-54.24	317.30	0.36	-53.88
C=CCC(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084609	0	35	-1.0	-50.12	315.79	0.09	-50.03
C[C@H](NC(=O)c1nsnc1[O-])C1CN(C(=O)CC#N)C1	REAL250005084610	0	32	-1.0	-56.74	302.34	-0.76	-57.50
C=CC(=O)N1CC([C@H](C)NC(=O)c2nsnc2[O-])C1	REAL250005084611	0	32	-1.0	-50.62	294.59	-0.72	-51.34
CC=CC(=O)N[C@@H](C)C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084612	0	35	-1.0	-54.47	313.90	0.35	-54.12
CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1F	REAL250005084613	0	31	-1.0	-51.38	280.70	-0.49	-51.87
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1F	REAL250005084614	0	28	-1.0	-51.47	259.35	-1.24	-52.71
O=C(CO)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1F	REAL250005084615	0	29	-1.0	-58.45	268.80	-3.33	-61.78
CCC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](F)C1	REAL250005084616	0	31	-1.0	-52.32	282.78	-0.84	-53.16
CC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](F)C1	REAL250005084617	0	28	-1.0	-56.21	263.79	-1.48	-57.69
O=C(CO)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](F)C1	REAL250005084618	0	29	-1.0	-60.92	274.54	-3.57	-64.49
N#CCC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](F)C1	REAL250005084619	0	29	-1.0	-64.47	283.53	-1.00	-65.47
C=CC(=O)N1C[C@@H](NC(=O)c2nsnc2[O-])[C@@H](F)C1	REAL250005084620	0	29	-1.0	-54.76	274.04	-1.03	-55.79
CCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084621	0	34	-1.0	-52.10	291.52	0.25	-51.85
CC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084622	0	31	-1.0	-52.29	270.92	-0.56	-52.85
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(=O)C1CC1	REAL250005084623	0	35	-1.0	-53.31	302.47	0.98	-52.33
CCCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084624	0	37	-1.0	-52.24	313.01	0.99	-51.25
CC(C)C(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084625	0	37	-1.0	-52.93	311.52	0.92	-52.01
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(=O)C(N)=O	REAL250005084626	0	32	-1.0	-52.70	287.32	-4.45	-57.15
C=CCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084627	0	35	-1.0	-53.38	305.02	0.77	-52.61
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(=O)CO	REAL250005084628	0	32	-1.0	-56.72	281.92	-2.73	-59.45
CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084629	0	37	-1.0	-46.84	316.94	0.78	-46.06
CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084630	0	37	-1.0	-55.70	313.49	0.47	-55.23
CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084631	0	34	-1.0	-47.02	295.54	0.03	-46.99
CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084632	0	31	-1.0	-47.40	275.23	-0.77	-48.17
C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084633	0	35	-1.0	-47.30	305.33	0.80	-46.50
C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084634	0	32	-1.0	-51.99	287.10	-4.74	-56.73
C[C@@H]1CN(C(=O)CO)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084635	0	32	-1.0	-51.29	285.07	-2.95	-54.24
CC(=O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084636	0	33	-1.0	-49.05	294.58	-0.87	-49.92
CC=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084637	0	35	-1.0	-47.77	308.27	0.57	-47.20
C=CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084638	0	35	-1.0	-47.87	307.58	0.53	-47.34
C[C@@H]1CN(C(=O)CC#N)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084639	0	32	-1.0	-51.99	294.91	-0.27	-52.26
C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084640	0	32	-1.0	-48.53	285.53	-0.39	-48.92
CC=CC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084641	0	35	-1.0	-52.99	304.93	0.83	-52.16
CC(=O)NCC1CN(C(=O)c2nsnc2[O-])CCC1C	REAL250005084642	0	37	-1.0	-49.74	298.88	0.05	-49.69
CC(=O)N1CCC(C)C(CNC(=O)c2nsnc2[O-])C1	REAL250005084643	0	37	-1.0	-54.49	302.23	-0.07	-54.56
CC(=O)NCC12CCC1CCN2C(=O)c1nsnc1[O-]	REAL250005084644	0	35	-1.0	-58.54	292.40	0.19	-58.35
CC(=O)N1CCC2CCC21CNC(=O)c1nsnc1[O-]	REAL250005084645	0	35	-1.0	-57.45	294.18	-0.02	-57.47
CC(=O)NC[C@@H]1C[C@H]2CN(C(=O)c3nsnc3[O-])C[C@@H]12	REAL250005084646	0	35	-1.0	-55.24	300.48	0.26	-54.98
CC(=O)N1C[C@@H]2C[C@@H](CNC(=O)c3nsnc3[O-])[C@@H]2C1	REAL250005084647	0	35	-1.0	-51.33	301.21	-0.02	-51.35
CC(=O)NC1CCCC12CN(C(=O)c1nsnc1[O-])C2	REAL250005084648	0	35	-1.0	-60.63	301.15	0.34	-60.29
CC(=O)N1CC2(C1)CCCC2NC(=O)c1nsnc1[O-]	REAL250005084649	0	35	-1.0	-52.81	303.06	0.01	-52.80
CCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084650	0	34	-1.0	-52.10	291.52	0.25	-51.85
CC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084651	0	31	-1.0	-52.29	270.92	-0.56	-52.85
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(=O)C1CC1	REAL250005084652	0	35	-1.0	-53.31	302.47	0.98	-52.33
CCCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084653	0	37	-1.0	-52.24	313.01	0.99	-51.25
CC(C)C(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084654	0	37	-1.0	-52.93	311.52	0.92	-52.01
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(=O)C(N)=O	REAL250005084655	0	32	-1.0	-52.70	287.32	-4.45	-57.15
C=CCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084656	0	35	-1.0	-53.38	305.02	0.77	-52.61
C[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(=O)CO	REAL250005084657	0	32	-1.0	-56.72	281.92	-2.73	-59.45
CCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084658	0	37	-1.0	-46.84	316.94	0.78	-46.06
CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084659	0	37	-1.0	-55.70	313.49	0.47	-55.23
CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084660	0	34	-1.0	-47.02	295.54	0.03	-46.99
CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084661	0	31	-1.0	-47.40	275.23	-0.77	-48.17
C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084662	0	35	-1.0	-47.30	305.33	0.80	-46.50
C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084663	0	32	-1.0	-51.99	287.10	-4.74	-56.73
C[C@@H]1CN(C(=O)CO)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084664	0	32	-1.0	-51.29	285.07	-2.95	-54.24
CC(=O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084665	0	33	-1.0	-49.05	294.58	-0.87	-49.92
CC=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084666	0	35	-1.0	-47.77	308.27	0.57	-47.20
C=CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084667	0	35	-1.0	-47.87	307.58	0.53	-47.34
C[C@@H]1CN(C(=O)CC#N)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084668	0	32	-1.0	-51.99	294.91	-0.27	-52.26
C=CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084669	0	32	-1.0	-48.53	285.53	-0.39	-48.92
CC=CC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1C	REAL250005084670	0	35	-1.0	-52.99	304.93	0.83	-52.16
CC(=O)NCC12CC1N(C(=O)c1nsnc1[O-])CCC2	REAL250005084671	0	35	-1.0	-56.06	296.21	0.55	-55.51
CC(=O)N1CCCC2(CNC(=O)c3nsnc3[O-])CC12	REAL250005084672	0	35	-1.0	-54.28	298.80	0.41	-53.87
CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084673	0	34	-1.0	-53.64	292.11	0.19	-53.45
CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084674	0	31	-1.0	-52.34	271.22	-0.57	-52.91
C[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)C1CC1	REAL250005084675	0	35	-1.0	-53.53	302.60	0.97	-52.56
CCCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084676	0	37	-1.0	-51.92	312.92	1.02	-50.90
CC(C)C(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084677	0	37	-1.0	-52.90	311.66	0.89	-52.01
C[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)C(N)=O	REAL250005084678	0	32	-1.0	-53.82	286.76	-4.47	-58.29
C=CCC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084679	0	35	-1.0	-52.55	304.32	0.73	-51.82
C[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1NC(=O)CO	REAL250005084680	0	32	-1.0	-56.03	281.98	-2.67	-58.70
CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084681	0	37	-1.0	-46.82	316.88	0.79	-46.03
CC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084682	0	37	-1.0	-47.47	309.81	0.35	-47.12
CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084683	0	34	-1.0	-47.00	295.52	0.00	-47.00
CC(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084684	0	31	-1.0	-47.39	275.15	-0.79	-48.18
C[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005084685	0	35	-1.0	-47.14	305.35	0.77	-46.37
C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005084686	0	32	-1.0	-51.70	287.12	-4.72	-56.42
C[C@H]1CN(C(=O)CO)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005084687	0	32	-1.0	-51.30	285.04	-2.95	-54.25
CC(=O)C(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084688	0	33	-1.0	-50.32	294.40	-0.92	-51.24
CC=CC(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084689	0	35	-1.0	-48.51	307.28	0.51	-48.00
C=CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084690	0	35	-1.0	-46.97	308.43	0.54	-46.43
C[C@H]1CN(C(=O)CC#N)C[C@H]1NC(=O)c1nsnc1[O-]	REAL250005084691	0	32	-1.0	-52.03	294.04	-0.39	-52.42
C=CC(=O)N1C[C@H](C)[C@H](NC(=O)c2nsnc2[O-])C1	REAL250005084692	0	32	-1.0	-48.40	285.55	-0.36	-48.76
CC=CC(=O)N[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1C	REAL250005084693	0	35	-1.0	-53.56	305.64	0.81	-52.75
CCC(=O)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])[C@H]2C1	REAL250005084694	0	35	-1.0	-69.09	293.13	1.18	-67.91
CC(=O)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])[C@H]2C1	REAL250005084695	0	32	-1.0	-58.08	272.16	0.31	-57.77
O=C(CO)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])[C@H]2C1	REAL250005084696	0	33	-1.0	-75.02	283.61	-1.73	-76.75
CCC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084697	0	35	-1.0	-64.84	292.81	1.43	-63.41
CC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084698	0	32	-1.0	-63.95	272.42	0.68	-63.27
O=C(CO)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084699	0	33	-1.0	-68.79	282.68	-1.46	-70.25
C=CC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084700	0	33	-1.0	-64.56	284.15	1.24	-63.32
CCC(=O)NC1(CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084701	0	32	-1.0	-54.45	288.24	-4.49	-58.94
CC(=O)NC1(CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084702	0	29	-1.0	-54.77	268.03	-5.34	-60.11
O=C(NC1(CO)CN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005084703	0	33	-1.0	-55.01	298.62	-3.63	-58.64
C=CCC(=O)NC1(CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084704	0	33	-1.0	-54.67	301.16	-3.95	-58.62
O=C(CO)NC1(CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084705	0	30	-1.0	-58.54	278.71	-7.49	-66.03
CCC(=O)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084706	0	32	-1.0	-59.35	290.84	-4.60	-63.95
CC(=O)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084707	0	29	-1.0	-58.21	269.60	-5.50	-63.71
O=C(NC1(CO)CN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005084708	0	33	-1.0	-58.67	300.98	-3.74	-62.41
O=C(CO)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084709	0	30	-1.0	-63.72	281.24	-7.53	-71.25
CC=CC(=O)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084710	0	33	-1.0	-57.09	304.57	-4.02	-61.11
C=CCC(=O)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084711	0	33	-1.0	-58.32	303.68	-4.11	-62.43
N#CCC(=O)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084712	0	30	-1.0	-66.36	290.23	-4.98	-71.34
C=CC(=O)N1CC(CO)(NC(=O)c2nsnc2[O-])C1	REAL250005084713	0	30	-1.0	-60.54	282.66	-4.89	-65.43
CC=CC(=O)NC1(CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084714	0	33	-1.0	-55.11	301.81	-3.89	-59.00
CC(=O)NC1CCC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084715	0	35	-1.0	-56.52	304.13	0.06	-56.46
CC(=O)N1CC2(C1)CCC(NC(=O)c1nsnc1[O-])C2	REAL250005084716	0	35	-1.0	-52.48	305.29	-0.09	-52.57
CC(=O)NC(C)C1(O)CN(C(=O)c2nsnc2[O-])C1	REAL250005084717	0	32	-1.0	-51.57	290.83	-4.20	-55.77
CC(=O)N1CC(O)(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005084718	0	32	-1.0	-52.74	292.80	-4.20	-56.94
C=CC(=O)N1CC(O)(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005084719	0	33	-1.0	-52.89	304.94	-3.71	-56.60
CC(=O)N(C)CCCCN(C)C(=O)c1nsnc1[O-]	REAL250005084720	0	36	-1.0	-53.32	311.23	1.95	-51.37
CC(=O)N(C)CCCCN(C)C(=O)c1nsnc1[O-]	REAL250005084721	0	36	-1.0	-53.32	311.23	1.95	-51.37
C=CC(=O)N(C)CCCCN(C)C(=O)c1nsnc1[O-]	REAL250005084722	0	37	-1.0	-53.34	322.56	2.45	-50.89
CC(=O)NCC(F)=C1CN(C(=O)c2nsnc2[O-])C1	REAL250005084723	0	29	-1.0	-54.12	280.73	-1.13	-55.25
CC(=O)N1CC(=C(F)CNC(=O)c2nsnc2[O-])C1	REAL250005084724	0	29	-1.0	-50.13	282.33	-1.14	-51.27
C=CC(=O)N1CC(=C(F)CNC(=O)c2nsnc2[O-])C1	REAL250005084725	0	30	-1.0	-50.19	294.99	-0.58	-50.77
CC(=O)NCCC1CCCCN1C(=O)c1nsnc1[O-]	REAL250005084726	0	37	-1.0	-48.15	302.05	0.26	-47.89
CC(=O)N1CCCCC1CCNC(=O)c1nsnc1[O-]	REAL250005084727	0	37	-1.0	-52.34	304.32	0.19	-52.15
CCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084728	0	32	-1.0	-52.96	289.58	0.41	-52.55
CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084729	0	29	-1.0	-53.29	268.98	-0.43	-53.72
O=C(c1nsnc1[O-])N1CC2(C1)CN(C(=O)C1CC1)C2	REAL250005084730	0	33	-1.0	-58.44	300.07	1.20	-57.24
COCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084731	0	33	-1.0	-55.74	302.33	-0.21	-55.95
CCCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084732	0	35	-1.0	-52.74	311.11	1.16	-51.58
CC(C)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084733	0	35	-1.0	-53.20	306.44	0.87	-52.33
NC(=O)C(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084734	0	30	-1.0	-55.16	282.86	-4.36	-59.52
C=CCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084735	0	33	-1.0	-53.10	302.50	0.95	-52.15
O=C(CO)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084736	0	30	-1.0	-57.10	280.06	-2.48	-59.58
CC(O)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084737	0	33	-1.0	-54.02	298.19	-1.86	-55.88
C[C@@H](O)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084738	0	33	-1.0	-53.33	295.98	-1.88	-55.21
COCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084739	0	33	-1.0	-55.74	302.33	-0.21	-55.95
CCCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084740	0	35	-1.0	-52.74	311.11	1.16	-51.58
CC(C)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084741	0	35	-1.0	-53.20	306.44	0.87	-52.33
CCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084742	0	32	-1.0	-52.96	289.58	0.41	-52.55
CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084743	0	29	-1.0	-53.29	268.98	-0.43	-53.72
O=C(c1nsnc1[O-])N1CC2(C1)CN(C(=O)C1CC1)C2	REAL250005084744	0	33	-1.0	-58.44	300.07	1.20	-57.24
NC(=O)C(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084745	0	30	-1.0	-55.16	282.86	-4.36	-59.52
O=C(CO)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084746	0	30	-1.0	-57.10	280.06	-2.48	-59.58
CC(O)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084747	0	33	-1.0	-54.02	298.19	-1.86	-55.88
CC(=O)C(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084748	0	31	-1.0	-53.71	290.27	-0.54	-54.25
CC=CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084749	0	33	-1.0	-53.36	303.01	0.99	-52.37
C[C@H](O)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084750	0	33	-1.0	-56.73	298.56	-1.87	-58.60
C=CCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084751	0	33	-1.0	-53.10	302.50	0.95	-52.15
N#CCC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084752	0	30	-1.0	-59.68	289.05	0.09	-59.59
C[C@@H](O)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084753	0	33	-1.0	-53.33	295.98	-1.88	-55.21
C=CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084754	0	30	-1.0	-53.46	281.28	0.11	-53.35
C[C@H](O)C(=O)N1CC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084755	0	33	-1.0	-56.73	298.56	-1.87	-58.60
CC=CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084756	0	33	-1.0	-53.36	303.01	0.99	-52.37
CO[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(C)=O	REAL250005084757	0	32	-1.0	-52.60	285.86	-2.18	-54.78
CO[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084758	0	32	-1.0	-57.48	290.20	-2.45	-59.93
C=CC(=O)N1C[C@@H](OC)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084759	0	33	-1.0	-57.36	301.62	-1.98	-59.34
CCC(=O)NC1CN(C(=O)c2nsnc2[O-])CC12CC2	REAL250005084760	0	35	-1.0	-50.99	303.64	0.92	-50.07
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC12CC2	REAL250005084761	0	32	-1.0	-51.23	283.35	0.08	-51.15
O=C(CO)NC1CN(C(=O)c2nsnc2[O-])CC12CC2	REAL250005084762	0	33	-1.0	-60.78	294.10	-2.01	-62.79
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])C2(CC2)C1	REAL250005084763	0	35	-1.0	-47.04	309.57	0.34	-46.70
CC(=O)N1CC(NC(=O)c2nsnc2[O-])C2(CC2)C1	REAL250005084764	0	32	-1.0	-47.47	289.26	-0.46	-47.93
O=C(CO)N1CC(NC(=O)c2nsnc2[O-])C2(CC2)C1	REAL250005084765	0	33	-1.0	-50.62	300.04	-2.54	-53.16
C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])C2(CC2)C1	REAL250005084766	0	33	-1.0	-47.26	297.74	0.32	-46.94
CCC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])C[C@H]1CC	REAL250005084767	0	37	-1.0	-52.87	312.15	0.88	-51.99
CC[C@@H]1CN(C(=O)c2nsnc2[O-])C[C@@H]1NC(C)=O	REAL250005084768	0	34	-1.0	-52.62	291.76	0.06	-52.56
CCC(=O)N1C[C@@H](CC)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084769	0	37	-1.0	-46.74	316.15	0.70	-46.04
CC[C@@H]1CN(C(C)=O)C[C@@H]1NC(=O)c1nsnc1[O-]	REAL250005084770	0	34	-1.0	-46.99	294.32	-0.19	-47.18
C=CC(=O)N1C[C@@H](CC)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084771	0	35	-1.0	-47.43	307.39	0.38	-47.05
CC(=O)NCC1CCCN(C(=O)c2nsnc2[O-])CC1	REAL250005084772	0	37	-1.0	-57.87	299.73	1.23	-56.64
CC(=O)N1CCCC(CNC(=O)c2nsnc2[O-])CC1	REAL250005084773	0	37	-1.0	-51.93	303.37	0.72	-51.21
CCC(=O)NC(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084774	0	37	-1.0	-57.14	322.37	0.74	-56.40
CC(=O)NC(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084775	0	34	-1.0	-57.39	301.78	-0.06	-57.45
CCC(=O)N1CC(CC(C)NC(=O)c2nsnc2[O-])C1	REAL250005084776	0	37	-1.0	-52.23	322.74	0.77	-51.46
CC(=O)N1CC(CC(C)NC(=O)c2nsnc2[O-])C1	REAL250005084777	0	34	-1.0	-53.15	302.63	-0.21	-53.36
C=CC(=O)N1CC(CC(C)NC(=O)c2nsnc2[O-])C1	REAL250005084778	0	35	-1.0	-53.56	315.29	0.34	-53.22
CCC(=O)NCC1C(C)CCN1C(=O)c1nsnc1[O-]	REAL250005084779	0	37	-1.0	-57.81	309.25	1.15	-56.66
CC(=O)NCC1C(C)CCN1C(=O)c1nsnc1[O-]	REAL250005084780	0	34	-1.0	-57.88	288.65	0.34	-57.54
CCC(=O)N1CCC(C)C1CNC(=O)c1nsnc1[O-]	REAL250005084781	0	37	-1.0	-55.42	313.49	1.03	-54.39
CC(=O)N1CCC(C)C1CNC(=O)c1nsnc1[O-]	REAL250005084782	0	34	-1.0	-57.11	292.44	0.13	-56.98
C=CC(=O)N1CCC(C)C1CNC(=O)c1nsnc1[O-]	REAL250005084783	0	35	-1.0	-55.63	304.62	0.74	-54.89
CCC(=O)N(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084784	0	34	-1.0	-57.20	299.11	1.05	-56.15
CC(=O)N(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084785	0	31	-1.0	-57.59	278.13	0.23	-57.36
CN(CC1CN(C(=O)c2nsnc2[O-])C1)C(=O)C1CC1	REAL250005084786	0	35	-1.0	-56.83	309.00	1.75	-55.08
CCCC(=O)N(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084787	0	37	-1.0	-57.09	320.61	1.82	-55.27
CC(C)C(=O)N(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084788	0	37	-1.0	-57.11	313.75	1.42	-55.69
CN(CC1CN(C(=O)c2nsnc2[O-])C1)C(=O)C(N)=O	REAL250005084789	0	32	-1.0	-55.10	292.61	-3.58	-58.68
C=CCC(=O)N(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084790	0	35	-1.0	-57.23	312.02	1.59	-55.64
CN(CC1CN(C(=O)c2nsnc2[O-])C1)C(=O)CO	REAL250005084791	0	32	-1.0	-62.15	289.58	-1.84	-63.99
CCCC(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084792	0	37	-1.0	-48.41	318.39	2.07	-46.34
CC(C)C(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084793	0	37	-1.0	-60.24	317.76	1.79	-58.45
CCC(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084794	0	34	-1.0	-48.54	296.89	1.31	-47.23
CC(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084795	0	31	-1.0	-56.66	278.31	0.60	-56.06
CN(CC1CN(C(=O)C2CC2)C1)C(=O)c1nsnc1[O-]	REAL250005084796	0	35	-1.0	-49.37	308.08	2.04	-47.33
CN(CC1CN(C(=O)C(N)=O)C1)C(=O)c1nsnc1[O-]	REAL250005084797	0	32	-1.0	-55.08	290.86	-3.49	-58.57
CN(CC1CN(C(=O)CO)C1)C(=O)c1nsnc1[O-]	REAL250005084798	0	32	-1.0	-61.67	289.08	-1.56	-63.23
CC(=O)C(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084799	0	33	-1.0	-53.92	299.22	0.39	-53.53
CC=CC(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084800	0	35	-1.0	-56.68	311.95	1.99	-54.69
C=CCC(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084801	0	35	-1.0	-56.70	311.52	1.87	-54.83
CN(CC1CN(C(=O)CC#N)C1)C(=O)c1nsnc1[O-]	REAL250005084802	0	32	-1.0	-64.20	298.07	1.02	-63.18
C=CC(=O)N1CC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084803	0	32	-1.0	-57.29	290.33	1.04	-56.25
CC=CC(=O)N(C)CC1CN(C(=O)c2nsnc2[O-])C1	REAL250005084804	0	35	-1.0	-57.39	311.86	1.64	-55.75
CC(=O)NCC1CC2(CC2)CN1C(=O)c1nsnc1[O-]	REAL250005084805	0	35	-1.0	-59.57	303.82	0.49	-59.08
CC(=O)N1CC2(CC2)CC1CNC(=O)c1nsnc1[O-]	REAL250005084806	0	35	-1.0	-55.55	307.73	0.31	-55.24
CCC(=O)NC1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084807	0	35	-1.0	-55.75	308.83	0.19	-55.56
CC(=O)NC1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084808	0	32	-1.0	-59.36	288.37	-0.58	-59.94
O=C(CO)NC1CC2(C1)CN(C(=O)c1nsnc1[O-])C2	REAL250005084809	0	33	-1.0	-57.70	297.46	-2.69	-60.39
CCC(=O)N1CC2(CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005084810	0	35	-1.0	-52.44	311.10	0.16	-52.28
CC(=O)N1CC2(CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005084811	0	32	-1.0	-56.47	290.78	-0.65	-57.12
O=C(CO)N1CC2(CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005084812	0	33	-1.0	-56.99	301.56	-2.72	-59.71
C=CC(=O)N1CC2(CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005084813	0	33	-1.0	-53.12	302.69	-0.14	-53.26
CCC(=O)N1CCC(C)N(C(=O)c2nsnc2[O-])CC1	REAL250005084814	0	37	-1.0	-50.36	298.23	2.52	-47.84
CC(=O)N1CCC(C)N(C(=O)c2nsnc2[O-])CC1	REAL250005084815	0	34	-1.0	-59.56	274.50	1.31	-58.25
CCC(=O)N1CCN(C(=O)c2nsnc2[O-])CCC1C	REAL250005084816	0	37	-1.0	-50.16	294.98	2.83	-47.33
CC(=O)N1CCN(C(=O)c2nsnc2[O-])CCC1C	REAL250005084817	0	34	-1.0	-50.57	273.10	2.03	-48.54
C=CC(=O)N1CCN(C(=O)c2nsnc2[O-])CCC1C	REAL250005084818	0	35	-1.0	-50.18	285.99	2.54	-47.64
CC(=O)NCCC[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005084819	0	37	-1.0	-60.71	315.12	0.59	-60.12
CC(=O)N1CCC[C@@H]1CCCNC(=O)c1nsnc1[O-]	REAL250005084820	0	37	-1.0	-55.62	316.48	0.34	-55.28
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC(C)(C)C1	REAL250005084821	0	37	-1.0	-60.24	305.01	0.51	-59.73
CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC(C)(C)C1	REAL250005084822	0	37	-1.0	-48.01	306.15	0.27	-47.74
C=CCC1(NC(=O)CC)CN(C(=O)c2nsnc2[O-])C1	REAL250005084823	0	35	-1.0	-53.98	310.62	0.25	-53.73
C=CCC1(NC(C)=O)CN(C(=O)c2nsnc2[O-])C1	REAL250005084824	0	32	-1.0	-54.37	290.39	-0.61	-54.98
C=CCC1(NC(=O)CO)CN(C(=O)c2nsnc2[O-])C1	REAL250005084825	0	33	-1.0	-58.32	301.09	-2.75	-61.07
C=CCC1(NC(=O)c2nsnc2[O-])CN(C(=O)CC)C1	REAL250005084826	0	35	-1.0	-58.31	312.67	0.27	-58.04
C=CCC1(NC(=O)c2nsnc2[O-])CN(C(C)=O)C1	REAL250005084827	0	32	-1.0	-59.86	292.75	-0.71	-60.57
C=CCC1(NC(=O)c2nsnc2[O-])CN(C(=O)CO)C1	REAL250005084828	0	33	-1.0	-63.96	303.49	-2.70	-66.66
C=CCC1(NC(=O)c2nsnc2[O-])CN(C(=O)C=C)C1	REAL250005084829	0	33	-1.0	-59.17	304.73	-0.09	-59.26
CCC(=O)N[C@]12CC[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005084830	0	35	-1.0	-59.32	297.20	0.06	-59.26
CC(=O)N[C@]12CC[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005084831	0	32	-1.0	-59.19	278.05	-0.76	-59.95
O=C(CO)N[C@]12CC[C@H]1CN(C(=O)c1nsnc1[O-])C2	REAL250005084832	0	33	-1.0	-64.62	288.36	-2.87	-67.49
CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005084833	0	35	-1.0	-60.25	301.44	-0.20	-60.45
CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005084834	0	32	-1.0	-60.49	281.13	-0.98	-61.47
O=C(CO)N1C[C@@H]2CC[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005084835	0	33	-1.0	-65.53	291.91	-3.08	-68.61
C=CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2nsnc2[O-])C1	REAL250005084836	0	33	-1.0	-61.95	291.47	-0.47	-62.42
C=CCC1(NC(C)=O)CCN(C(=O)c2nsnc2[O-])C1	REAL250005084837	0	35	-1.0	-48.72	300.24	0.39	-48.33
C=CCC1(NC(=O)c2nsnc2[O-])CCN(C(C)=O)C1	REAL250005084838	0	35	-1.0	-49.14	305.37	0.00	-49.14
CC(=O)NC1CN(C(=O)c2nsnc2[O-])CC2(CC2)C1	REAL250005084839	0	35	-1.0	-63.26	300.01	0.52	-62.74
CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC2(CC2)C1	REAL250005084840	0	35	-1.0	-48.02	302.50	0.29	-47.73
CCC(=O)NC(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005084841	0	37	-1.0	-54.24	315.09	0.58	-53.66
CC(=O)NC(C)C1CCN(C(=O)c2nsnc2[O-])C1	REAL250005084842	0	34	-1.0	-54.57	294.49	-0.22	-54.79
CCC(=O)N1CCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005084843	0	37	-1.0	-56.61	318.96	0.48	-56.13
CC(=O)N1CCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005084844	0	34	-1.0	-56.85	297.20	-0.39	-57.24
C=CC(=O)N1CCC(C(C)NC(=O)c2nsnc2[O-])C1	REAL250005084845	0	35	-1.0	-56.95	309.92	0.14	-56.81
CC(=O)NC12CCC(CC1)N(C(=O)c1nsnc1[O-])C2	REAL250005084846	0	35	-1.0	-59.39	284.19	0.11	-59.28
CC(=O)N1CC2(NC(=O)c3nsnc3[O-])CCC1CC2	REAL250005084847	0	35	-1.0	-48.30	288.43	-0.22	-48.52
CC(=O)N[C@H]1CN(C(=O)c2nsnc2[O-])CC[C@H]1F	REAL250005084848	0	31	-1.0	-54.70	272.97	-0.79	-55.49
CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)c2nsnc2[O-])C1	REAL250005084849	0	31	-1.0	-59.68	276.07	-0.93	-60.61
CCC(=O)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084850	0	35	-1.0	-56.76	310.71	1.27	-55.49
CC(=O)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084851	0	32	-1.0	-57.29	290.33	0.49	-56.80
O=C(CO)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084852	0	33	-1.0	-61.67	301.11	-1.59	-63.26
CCC(=O)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084853	0	35	-1.0	-56.76	310.71	1.27	-55.49
CC(=O)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084854	0	32	-1.0	-57.29	290.33	0.49	-56.80
O=C(CO)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084855	0	33	-1.0	-61.67	301.11	-1.59	-63.26
C=CC(=O)N1CC(C2CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084856	0	33	-1.0	-57.20	302.32	0.99	-56.21
CCC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005084857	0	37	-1.0	-61.36	310.08	1.85	-59.51
CC(=O)N(C)CC1CCN(C(=O)c2nsnc2[O-])C1	REAL250005084858	0	34	-1.0	-59.16	289.62	0.95	-58.21
CCC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084859	0	37	-1.0	-57.14	311.66	1.95	-55.19
CC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084860	0	34	-1.0	-66.63	288.27	0.98	-65.65
C=CC(=O)N1CCC(CN(C)C(=O)c2nsnc2[O-])C1	REAL250005084861	0	35	-1.0	-56.13	303.21	1.59	-54.54
CCC(=O)NC[C@@]1(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005084862	0	37	-1.0	-57.08	306.27	1.15	-55.93
CC(=O)NC[C@@]1(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005084863	0	34	-1.0	-58.42	286.25	0.25	-58.17
CCC(=O)N1CCC[C@]1(C)CNC(=O)c1nsnc1[O-]	REAL250005084864	0	37	-1.0	-56.31	309.23	0.83	-55.48
CC(=O)N1CCC[C@]1(C)CNC(=O)c1nsnc1[O-]	REAL250005084865	0	34	-1.0	-57.47	289.54	0.16	-57.31
C=CC(=O)N1CCC[C@]1(C)CNC(=O)c1nsnc1[O-]	REAL250005084866	0	35	-1.0	-56.56	300.87	0.60	-55.96
CC(=O)NC12CC1CCN(C(=O)c1nsnc1[O-])CC2	REAL250005084867	0	35	-1.0	-54.32	291.41	0.32	-54.00
CC(=O)N1CCC2CC2(NC(=O)c2nsnc2[O-])CC1	REAL250005084868	0	35	-1.0	-55.25	293.54	0.05	-55.20
CC(=O)NC1CC2(C1)CCN(C(=O)c1nsnc1[O-])C2	REAL250005084869	0	35	-1.0	-54.57	301.69	0.26	-54.31
CC(=O)N1CCC2(CC(NC(=O)c3nsnc3[O-])C2)C1	REAL250005084870	0	35	-1.0	-56.56	300.86	0.21	-56.35
CCC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005084871	0	34	-1.0	-57.09	292.22	-0.00	-57.09
CC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005084872	0	31	-1.0	-57.41	271.93	-0.81	-58.22
CC1CC(NC(=O)C2CC2)CN1C(=O)c1nsnc1[O-]	REAL250005084873	0	35	-1.0	-57.20	302.88	0.74	-56.46
CCCC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005084874	0	37	-1.0	-56.89	313.72	0.77	-56.12
CC(C)C(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005084875	0	37	-1.0	-56.54	311.77	0.66	-55.88
CC1CC(NC(=O)C(N)=O)CN1C(=O)c1nsnc1[O-]	REAL250005084876	0	32	-1.0	-53.68	287.58	-4.67	-58.35
C=CCC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005084877	0	35	-1.0	-57.08	305.13	0.54	-56.54
CC1CC(NC(=O)CO)CN1C(=O)c1nsnc1[O-]	REAL250005084878	0	32	-1.0	-62.04	282.70	-2.93	-64.97
CCCC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084879	0	37	-1.0	-47.58	317.38	0.56	-47.02
CC(C)C(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084880	0	37	-1.0	-46.83	315.62	0.26	-46.57
CCC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084881	0	34	-1.0	-46.20	294.43	-0.24	-46.44
CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084882	0	31	-1.0	-48.21	275.65	-1.03	-49.24
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)C1CC1	REAL250005084883	0	35	-1.0	-48.25	306.42	0.52	-47.73
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)C(N)=O	REAL250005084884	0	32	-1.0	-51.31	286.69	-4.98	-56.29
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)CO	REAL250005084885	0	32	-1.0	-51.40	286.35	-3.12	-54.52
CC(=O)C(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084886	0	33	-1.0	-49.28	294.14	-1.16	-50.44
CC=CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084887	0	35	-1.0	-48.64	308.57	0.36	-48.28
C=CCC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084888	0	35	-1.0	-47.95	308.79	0.33	-47.62
CC1CC(NC(=O)c2nsnc2[O-])CN1C(=O)CC#N	REAL250005084889	0	32	-1.0	-52.33	295.34	-0.52	-52.85
C=CC(=O)N1CC(NC(=O)c2nsnc2[O-])CC1C	REAL250005084890	0	32	-1.0	-47.01	285.49	-0.56	-47.57
CC=CC(=O)NC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005084891	0	35	-1.0	-56.89	305.80	0.62	-56.27
CC(=O)N1CC2(C1)CN(C(=O)c1nsnc1[O-])CCO2	REAL250005084892	0	33	-1.0	-48.91	286.57	-1.13	-50.04
CC(=O)N1CCOC2(CN(C(=O)c3nsnc3[O-])C2)C1	REAL250005084893	0	33	-1.0	-57.31	286.39	-1.29	-58.60
CC(=O)N1CC(C)CN(C(=O)c2nsnc2[O-])C(C)C1	REAL250005084894	0	37	-1.0	-52.95	295.29	1.80	-51.15
CC(=O)N1CC(C)CN(C(=O)c2nsnc2[O-])CC1C	REAL250005084895	0	37	-1.0	-52.43	291.45	2.35	-50.08
CC(=O)NCC1CN(C)CCN1C(=O)c1nsnc1[O-]	REAL250005084896	0	36	-1.0	-51.94	296.11	-2.08	-54.02
CC(=O)N1CCN(C)CC1CNC(=O)c1nsnc1[O-]	REAL250005084897	0	36	-1.0	-57.36	297.96	-1.96	-59.32
CCC(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084898	0	32	-1.0	-45.51	281.25	0.01	-45.50
CC(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084899	0	29	-1.0	-45.91	260.94	-0.80	-46.71
O=C(NC1C=CCN(C(=O)c2nsnc2[O-])C1)C1CC1	REAL250005084900	0	33	-1.0	-45.97	291.39	0.74	-45.23
COCC(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084901	0	33	-1.0	-57.67	293.90	-0.60	-58.27
CCCC(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084902	0	35	-1.0	-54.47	302.68	0.80	-53.67
CC(C)C(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084903	0	35	-1.0	-54.26	300.68	0.69	-53.57
NC(=O)C(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084904	0	30	-1.0	-51.82	276.66	-4.64	-56.46
C=CCC(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084905	0	33	-1.0	-54.69	294.09	0.57	-54.12
O=C(CO)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084906	0	30	-1.0	-59.43	271.65	-2.89	-62.32
CC(O)C(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084907	0	33	-1.0	-54.52	291.93	-2.13	-56.65
C[C@@H](O)C(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084908	0	33	-1.0	-45.74	292.00	-2.13	-47.87
COCC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084909	0	33	-1.0	-59.59	296.71	-0.87	-60.46
CCCC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084910	0	35	-1.0	-56.25	305.49	0.51	-55.74
CC(C)C(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084911	0	35	-1.0	-49.87	302.76	0.24	-49.63
CCC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084912	0	32	-1.0	-54.52	284.11	-0.25	-54.77
CC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084913	0	29	-1.0	-56.65	262.77	-1.08	-57.73
O=C(NC1C=CCN(C(=O)C2CC2)C1)c1nsnc1[O-]	REAL250005084914	0	33	-1.0	-54.18	293.72	0.47	-53.71
NC(=O)C(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084915	0	30	-1.0	-51.34	276.83	-4.92	-56.26
O=C(CO)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084916	0	30	-1.0	-61.40	274.42	-3.14	-64.54
CC(O)C(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084917	0	33	-1.0	-57.27	290.16	-2.65	-59.92
CC(=O)C(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084918	0	31	-1.0	-51.24	283.90	-1.12	-52.36
CC=CC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084919	0	33	-1.0	-56.29	296.44	0.32	-55.97
C[C@H](O)C(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084920	0	33	-1.0	-57.36	290.21	-2.64	-60.00
C=CCC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084921	0	33	-1.0	-56.58	296.87	0.29	-56.29
N#CCC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084922	0	30	-1.0	-65.66	283.41	-0.57	-66.23
C[C@@H](O)C(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084923	0	33	-1.0	-54.14	291.27	-2.61	-56.75
C=CC(=O)N1CC=CC(NC(=O)c2nsnc2[O-])C1	REAL250005084924	0	30	-1.0	-56.56	274.72	-0.57	-57.13
C[C@H](O)C(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084925	0	33	-1.0	-45.45	292.08	-2.13	-47.58
CC=CC(=O)NC1C=CCN(C(=O)c2nsnc2[O-])C1	REAL250005084926	0	33	-1.0	-46.71	294.84	0.63	-46.08
COC1(CNC(C)=O)CN(C(=O)c2nsnc2[O-])C1	REAL250005084927	0	32	-1.0	-55.03	290.32	-2.95	-57.98
COC1(CNC(=O)c2nsnc2[O-])CN(C(C)=O)C1	REAL250005084928	0	32	-1.0	-50.72	291.57	-3.11	-53.83
C=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])(OC)C1	REAL250005084929	0	33	-1.0	-54.84	303.50	-2.35	-57.19
CC(=O)N1CC[C@H]2CN(C(=O)c3nsnc3[O-])C[C@H]2C1	REAL250005084930	0	35	-1.0	-59.14	287.86	1.32	-57.82
CC(=O)N1C[C@@H]2CCN(C(=O)c3nsnc3[O-])C[C@@H]2C1	REAL250005084931	0	35	-1.0	-52.47	287.85	1.23	-51.24
CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084932	0	32	-1.0	-54.36	280.19	0.16	-54.20
CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084933	0	29	-1.0	-54.52	261.06	-0.92	-55.44
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2)C1CC1	REAL250005084934	0	33	-1.0	-54.65	292.17	0.67	-53.98
COCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084935	0	33	-1.0	-58.47	294.67	-0.75	-59.22
CCCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084936	0	35	-1.0	-55.53	303.45	0.66	-54.87
CC(C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084937	0	35	-1.0	-55.88	300.03	0.81	-55.07
NC(=O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084938	0	30	-1.0	-57.46	277.30	-4.78	-62.24
C=CCC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084939	0	33	-1.0	-56.08	295.18	0.46	-55.62
O=C(CO)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084940	0	30	-1.0	-59.77	272.74	-3.01	-62.78
CC(O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084941	0	33	-1.0	-54.98	292.75	-2.24	-57.22
C[C@@H](O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084942	0	33	-1.0	-54.95	291.30	-1.99	-56.94
COCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084943	0	33	-1.0	-53.21	298.15	-0.55	-53.76
CCCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084944	0	35	-1.0	-51.21	306.50	0.80	-50.41
CC(C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084945	0	35	-1.0	-50.91	305.20	0.58	-50.33
CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084946	0	32	-1.0	-51.72	283.29	0.43	-51.29
CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084947	0	29	-1.0	-57.05	263.17	-1.01	-58.06
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1CC1)C2)c1nsnc1[O-]	REAL250005084948	0	33	-1.0	-51.75	293.61	1.17	-50.58
NC(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084949	0	30	-1.0	-53.16	277.55	-4.96	-58.12
O=C(CO)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084950	0	30	-1.0	-64.34	273.34	-2.83	-67.17
CC(O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084951	0	33	-1.0	-50.64	289.77	-1.84	-52.48
CC(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084952	0	31	-1.0	-53.27	284.18	-1.20	-54.47
CC=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084953	0	33	-1.0	-58.85	295.76	0.63	-58.22
C[C@H](O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084954	0	33	-1.0	-51.49	289.24	-1.91	-53.40
C=CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084955	0	33	-1.0	-51.20	297.92	0.57	-50.63
N#CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084956	0	30	-1.0	-66.96	282.33	-0.26	-67.22
C[C@@H](O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084957	0	33	-1.0	-52.78	289.26	-1.91	-54.69
C=CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1nsnc1[O-]	REAL250005084958	0	30	-1.0	-59.49	274.21	-0.25	-59.74
C[C@H](O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084959	0	33	-1.0	-58.18	291.33	-2.00	-60.18
CC=CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1nsnc1[O-])C2	REAL250005084960	0	33	-1.0	-56.37	294.08	0.76	-55.61
CCC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)c1nsnc1[O-]	REAL250005084961	0	35	-1.0	-56.81	296.22	0.63	-56.18
CC(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)c1nsnc1[O-]	REAL250005084962	0	32	-1.0	-56.49	275.76	-0.15	-56.64
O=C(CO)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)c1nsnc1[O-]	REAL250005084963	0	33	-1.0	-61.31	286.53	-2.30	-63.61
CCC(=O)N1CC[C@@H]2[C@H](NC(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084964	0	35	-1.0	-47.47	294.55	1.36	-46.11
CC(=O)N1CC[C@@H]2[C@H](NC(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084965	0	32	-1.0	-53.86	277.81	-0.44	-54.30
O=C(CO)N1CC[C@@H]2[C@H](NC(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084966	0	33	-1.0	-58.49	289.80	-2.44	-60.93
C=CC(=O)N1CC[C@@H]2[C@H](NC(=O)c3nsnc3[O-])C[C@@H]21	REAL250005084967	0	33	-1.0	-53.62	290.41	0.13	-53.49
CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084968	0	32	-1.0	-57.14	282.77	0.05	-57.09
CC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084969	0	29	-1.0	-57.32	262.27	-0.76	-58.08
O=C(N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21)C1CC1	REAL250005084970	0	33	-1.0	-62.91	295.36	0.96	-61.95
COCC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084971	0	33	-1.0	-60.17	295.50	-0.59	-60.76
CCCC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084972	0	35	-1.0	-63.23	306.68	0.92	-62.31
CC(C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084973	0	35	-1.0	-62.45	304.31	0.86	-61.59
NC(=O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084974	0	30	-1.0	-58.17	280.53	-4.52	-62.69
C=CCC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084975	0	33	-1.0	-57.32	295.68	0.60	-56.72
O=C(CO)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084976	0	30	-1.0	-61.92	273.24	-2.87	-64.79
CC(O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084977	0	33	-1.0	-61.01	293.15	-2.03	-63.04
C[C@@H](O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084978	0	33	-1.0	-56.87	293.37	-2.10	-58.97
COCC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084979	0	33	-1.0	-65.21	301.12	-0.68	-65.89
CCCC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084980	0	35	-1.0	-58.68	309.69	0.67	-58.01
CC(C)C(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084981	0	35	-1.0	-50.36	309.29	0.45	-49.91
CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084982	0	32	-1.0	-53.06	286.00	-0.24	-53.30
CC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084983	0	29	-1.0	-61.60	268.37	-0.91	-62.51
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC3)[C@H]21)c1nsnc1[O-]	REAL250005084984	0	33	-1.0	-58.99	297.79	0.62	-58.37
NC(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084985	0	30	-1.0	-55.35	280.49	-4.77	-60.12
O=C(CO)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084986	0	30	-1.0	-66.94	278.89	-2.94	-69.88
CC(O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084987	0	33	-1.0	-54.05	293.44	-2.50	-56.55
CC(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084988	0	31	-1.0	-51.44	285.86	-1.09	-52.53
CC=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084989	0	33	-1.0	-61.78	300.63	0.46	-61.32
C[C@H](O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084990	0	33	-1.0	-59.89	295.00	-2.45	-62.34
C=CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084991	0	33	-1.0	-53.08	299.17	0.34	-52.74
N#CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084992	0	30	-1.0	-70.03	287.88	-0.39	-70.42
C[C@@H](O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084993	0	33	-1.0	-57.36	293.11	-2.59	-59.95
C=CC(=O)N1CC[C@@H]2[C@@H](NC(=O)c3nsnc3[O-])[C@@H]21	REAL250005084994	0	30	-1.0	-55.33	276.68	-0.56	-55.89
C[C@H](O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084995	0	33	-1.0	-58.11	293.38	-2.10	-60.21
CC=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3nsnc3[O-])[C@H]21	REAL250005084996	0	33	-1.0	-63.58	298.73	0.76	-62.82
CC(=O)NC1(C2CCCN2C(=O)c2nsnc2[O-])CC1	REAL250005084997	0	35	-1.0	-54.65	295.43	0.92	-53.73
CC(=O)N1CCCC1C1(NC(=O)c2nsnc2[O-])CC1	REAL250005084998	0	35	-1.0	-55.44	294.93	0.13	-55.31
CC(=O)NC1(CF)CCN(C(=O)c2nsnc2[O-])C1	REAL250005084999	0	31	-1.0	-49.07	275.26	-0.98	-50.05
CC(=O)N1CCC(CF)(NC(=O)c2nsnc2[O-])C1	REAL250005085000	0	31	-1.0	-49.72	277.40	-1.31	-51.03
CC(=O)NCC1CC2CCC1N2C(=O)c1nsnc1[O-]	REAL250005085001	0	35	-1.0	-66.51	299.11	0.44	-66.07
CC(=O)N1C2CCC1C(CNC(=O)c1nsnc1[O-])C2	REAL250005085002	0	35	-1.0	-51.92	298.55	0.09	-51.83
CCC(=O)N1CC2CC(C1)N(C(=O)c1nsnc1[O-])C2	REAL250005085003	0	35	-1.0	-54.77	290.03	2.12	-52.65
CC(=O)N1CC2CC(C1)N(C(=O)c1nsnc1[O-])C2	REAL250005085004	0	32	-1.0	-54.82	269.72	1.35	-53.47
O=C(CO)N1CC2CC(C1)N(C(=O)c1nsnc1[O-])C2	REAL250005085005	0	33	-1.0	-58.60	280.51	-0.75	-59.35
CCC(=O)N1CC2CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005085006	0	35	-1.0	-55.64	290.12	2.09	-53.55
CC(=O)N1CC2CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005085007	0	32	-1.0	-58.74	268.86	1.22	-57.52
O=C(CO)N1CC2CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005085008	0	33	-1.0	-63.35	280.98	-0.79	-64.14
C=CC(=O)N1CC2CC1CN(C(=O)c1nsnc1[O-])C2	REAL250005085009	0	33	-1.0	-59.13	281.27	1.74	-57.39
CC(=O)NCC1(C(N)=O)CN(C(=O)c2nsnc2[O-])C1	REAL250005085010	0	32	-1.0	-59.47	296.40	-5.19	-64.66
CC(=O)N1CC(CNC(=O)c2nsnc2[O-])(C(N)=O)C1	REAL250005085011	0	32	-1.0	-58.26	297.85	-5.32	-63.58
CC(=O)NC1CCC2CN(C(=O)c3nsnc3[O-])CC21	REAL250005085012	0	35	-1.0	-55.05	294.57	0.14	-54.91
CC(=O)N1CC2CCC(NC(=O)c3nsnc3[O-])C2C1	REAL250005085013	0	35	-1.0	-55.09	294.90	0.13	-54.96
CCC(=O)N(C)C[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005085014	0	37	-1.0	-51.41	305.74	2.04	-49.37
CC(=O)N(C)C[C@H]1CCCN1C(=O)c1nsnc1[O-]	REAL250005085015	0	34	-1.0	-67.24	285.59	1.12	-66.12
CCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005085016	0	37	-1.0	-49.82	306.69	2.03	-47.79
CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005085017	0	34	-1.0	-66.55	287.42	1.24	-65.31
C=CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1nsnc1[O-]	REAL250005085018	0	35	-1.0	-66.34	297.87	1.72	-64.62
CC(=O)NCCOC1CN(C(=O)c2nsnc2[O-])C1	REAL250005085019	0	32	-1.0	-54.44	295.41	-2.50	-56.94
CC(=O)N1CC(OCCNC(=O)c2nsnc2[O-])C1	REAL250005085020	0	32	-1.0	-54.77	297.40	-2.56	-57.33
C=CC(=O)N1CC(OCCNC(=O)c2nsnc2[O-])C1	REAL250005085021	0	33	-1.0	-54.86	309.74	-2.02	-56.88
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C1(C)C	REAL250005085022	0	37	-1.0	-57.26	305.41	0.15	-57.11
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C1(C)C	REAL250005085023	0	37	-1.0	-52.17	308.12	-0.07	-52.24
CC(=O)NCC=C1CCN(C(=O)c2nsnc2[O-])CC1	REAL250005085024	0	35	-1.0	-54.15	298.12	0.41	-53.74
CC(=O)N1CCC(=CCNC(=O)c2nsnc2[O-])CC1	REAL250005085025	0	35	-1.0	-50.52	300.04	0.16	-50.36
CCC(=O)NCC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005085026	0	37	-1.0	-53.66	313.42	0.60	-53.06
CC(=O)NCC1CC(C)N(C(=O)c2nsnc2[O-])C1	REAL250005085027	0	34	-1.0	-53.98	293.13	-0.22	-54.20
CCC(=O)N1CC(CNC(=O)c2nsnc2[O-])CC1C	REAL250005085028	0	37	-1.0	-49.24	316.54	0.38	-48.86
CC(=O)N1CC(CNC(=O)c2nsnc2[O-])CC1C	REAL250005085029	0	34	-1.0	-49.74	296.74	-0.45	-50.19
C=CC(=O)N1CC(CNC(=O)c2nsnc2[O-])CC1C	REAL250005085030	0	35	-1.0	-49.80	306.41	0.02	-49.78
CCC(=O)NC1C2OCCN(C(=O)c3nsnc3[O-])C12	REAL250005085031	0	33	-1.0	-53.82	290.65	-1.65	-55.47
CC(=O)NC1C2OCCN(C(=O)c3nsnc3[O-])C12	REAL250005085032	0	30	-1.0	-57.05	265.25	-1.44	-58.49
CCC(=O)N1CCOC2C(NC(=O)c3nsnc3[O-])C21	REAL250005085033	0	33	-1.0	-56.82	289.08	-0.87	-57.69
CC(=O)N1CCOC2C(NC(=O)c3nsnc3[O-])C21	REAL250005085034	0	30	-1.0	-53.12	272.84	-2.78	-55.90
C=CC(=O)N1CCOC2C(NC(=O)c3nsnc3[O-])C21	REAL250005085035	0	31	-1.0	-53.10	284.85	-2.24	-55.34
CCC(=O)NC[C@]1(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005085036	0	37	-1.0	-56.92	306.95	1.15	-55.77
CC(=O)NC[C@]1(C)CCCN1C(=O)c1nsnc1[O-]	REAL250005085037	0	34	-1.0	-58.62	286.11	0.29	-58.33
CCC(=O)N1CCC[C@@]1(C)CNC(=O)c1nsnc1[O-]	REAL250005085038	0	37	-1.0	-55.51	309.81	1.01	-54.50
CC(=O)N1CCC[C@@]1(C)CNC(=O)c1nsnc1[O-]	REAL250005085039	0	34	-1.0	-57.33	287.55	0.06	-57.27
C=CC(=O)N1CCC[C@@]1(C)CNC(=O)c1nsnc1[O-]	REAL250005085040	0	35	-1.0	-55.60	300.98	0.72	-54.88
CC(=O)NCC1CCN(C(=O)c2nsnc2[O-])C12CC2	REAL250005085041	0	35	-1.0	-58.52	297.90	0.15	-58.37
CC(=O)N1CCC(CNC(=O)c2nsnc2[O-])C12CC2	REAL250005085042	0	35	-1.0	-52.91	301.09	0.01	-52.90
CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2nsnc2[O-])C1	REAL250005085043	0	35	-1.0	-49.47	282.40	1.05	-48.42
CC(=O)N1CC[C@@H]2CN(C(=O)c3nsnc3[O-])CC[C@@H]21	REAL250005085044	0	35	-1.0	-52.53	282.55	1.19	-51.34