O=C(CCCC[NH+]1CCCC1)NCC1=NC(=O)O[N-]1	REAL250005022284	0	39	0.0	-56.66	312.65	2.78	-53.88
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005022312	1	36	0.0	-53.44	297.98	3.06	-50.38
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005022312	1	36	0.0	-53.42	298.03	3.06	-50.36
C#CC[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022323	0	35	0.0	-58.02	290.61	2.27	-55.75
CCC[N@@H+]1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022324	0	39	0.0	-48.25	293.17	2.29	-45.96
CCC[N@H+]1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005022324	1	39	0.0	-46.17	302.61	2.45	-43.72
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL250005022325	0	42	0.0	-46.62	310.62	3.57	-43.05
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005022375	0	39	0.0	-57.74	317.17	2.35	-55.39
O=C(CC[NH+]1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005022382	1	34	0.0	-55.95	276.59	-0.52	-56.47
C[NH+](C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022391	1	36	0.0	-48.03	296.05	2.95	-45.08
CC1=[NH+]C=CN1CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022427	1	34	0.0	-52.86	292.29	2.36	-50.50
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1C(C)CCC1C	REAL250005022433	0	39	0.0	-44.44	292.01	1.81	-42.63
CCC[NH+](CCC)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022466	0	44	0.0	-55.91	339.41	3.39	-52.52
CC[N@H+](C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022467	1	39	0.0	-46.00	313.84	3.63	-42.37
CC[N@@H+](C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005022467	1	39	0.0	-47.92	308.88	3.45	-44.47
C[NH+](C)CCN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL250005022504	0	40	0.0	-60.49	328.08	0.90	-59.59
CCCCCC[N@H+](C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022513	0	41	0.0	-51.44	325.05	3.22	-48.22
CCCCCC[N@@H+](C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022513	1	41	0.0	-51.44	325.05	3.22	-48.22
CC(C(=O)NCC1=NC(=O)O[N-]1)N1CC[NH+](C)CC1	REAL250005022538	1	38	0.0	-56.99	294.58	-0.70	-57.69
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCCCCC1	REAL250005022584	0	39	0.0	-46.49	292.42	2.25	-44.24
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022598	1	37	0.0	-48.32	306.73	2.62	-45.70
CC[N@@H+]1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022607	1	34	0.0	-54.99	276.48	0.56	-54.43
CC[N@H+]1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005022607	1	34	0.0	-49.03	269.38	0.39	-48.64
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250005022681	1	39	0.0	-49.29	316.29	3.46	-45.83
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250005022681	1	39	0.0	-50.15	316.10	3.44	-46.71
CC1CCC(C)[NH+]1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005022692	0	36	0.0	-46.66	278.45	1.48	-45.18
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005022714	0	36	0.0	-61.68	299.48	2.95	-58.73
CC[NH+]1CCN(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022715	0	41	0.0	-56.59	318.77	-0.03	-56.62
CCN1CC[NH+](CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022715	1	41	0.0	-54.11	319.93	0.12	-53.99
CC[NH+](CC)CCSCC(=O)NCC1=NC(=O)O[N-]1	REAL250005022726	0	39	0.0	-57.83	323.92	2.77	-55.06
CCC(C(=O)NCC1=NC(=O)O[N-]1)[NH+](CC)CC	REAL250005022736	0	38	0.0	-44.92	287.55	1.76	-43.16
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+](C2CCCCC2)C1	REAL250005022802	0	43	0.0	-52.56	327.19	3.42	-49.14
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+](C2CCCCC2)C1	REAL250005022802	1	43	0.0	-52.28	325.99	3.35	-48.93
C[NH+](C)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC=C1	REAL250005022893	0	33	0.0	-49.37	286.94	2.05	-47.32
CC1CC[NH+](CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005022910	0	36	0.0	-49.94	284.28	1.96	-47.98
C[NH+](C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005022990	1	32	0.0	-66.66	279.40	0.43	-66.23
CC(C[NH+]1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023027	0	37	0.0	-54.90	292.63	0.19	-54.71
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005023053	0	34	0.0	-54.87	280.81	1.69	-53.18
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005023053	1	34	0.0	-54.33	280.61	1.71	-52.62
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CCCC1	REAL250005023086	0	40	0.0	-46.57	308.56	3.09	-43.48
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CCCC1	REAL250005023086	1	40	0.0	-47.45	307.25	2.85	-44.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL250005023123	1	28	0.0	-59.12	251.76	2.97	-56.15
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCSCC1	REAL250005023124	1	34	0.0	-50.14	276.69	1.30	-48.84
C[NH+]1CCC(C)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005023143	0	36	0.0	-52.66	278.57	1.55	-51.11
CCC(C)(C)[NH2+]C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005023147	0	38	0.0	-49.55	286.74	0.10	-49.45
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=C[NH+]=CN21	REAL250005023169	0	31	0.0	-55.99	265.40	3.33	-52.66
C[NH+](C)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL250005023306	0	42	0.0	-50.95	305.97	3.12	-47.83
C[N@H+](CCC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005023313	0	42	0.0	-54.04	319.73	3.07	-50.97
C[N@@H+](CCC(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005023313	1	42	0.0	-54.05	319.73	3.06	-50.99
C[NH+](C)C(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005023400	0	39	0.0	-48.44	309.04	3.36	-45.08
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL250005023407	0	43	0.0	-45.25	319.27	3.27	-41.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL250005023407	1	43	0.0	-44.89	318.88	3.27	-41.62
O=C(CCCC[NH+]1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005023464	1	40	0.0	-59.70	319.59	1.06	-58.64
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](C2CC2)CC1	REAL250005023581	0	37	0.0	-53.98	290.76	2.33	-51.65
O=C(NCC1=NC(=O)O[N-]1)C12CCC[NH+]1CCC2	REAL250005023586	0	34	0.0	-45.54	265.91	1.44	-44.10
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL250005023609	1	31	0.0	-66.16	281.02	0.90	-65.26
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CC1	REAL250005023654	0	34	0.0	-46.02	278.82	1.97	-44.05
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CC1	REAL250005023654	1	34	0.0	-45.63	273.84	1.79	-43.84
CC(C)[N@@H+]1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023701	0	37	0.0	-47.94	286.15	0.93	-47.01
CC(C)[N@H+]1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005023701	1	37	0.0	-53.58	293.29	1.09	-52.49
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005023720	0	36	0.0	-47.81	292.37	3.23	-44.58
CC1=[NH+]C=C2CCC(C(=O)NCC3=NC(=O)O[N-]3)CN21	REAL250005023763	1	35	0.0	-48.56	288.95	2.20	-46.36
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005023790	0	35	0.0	-61.17	295.29	1.48	-59.69
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL250005023796	0	28	0.0	-56.54	251.49	2.97	-53.57
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005023911	0	39	0.0	-65.36	321.96	3.79	-61.57
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(C[NH+]2CCCC2)=C1	REAL250005023931	1	36	0.0	-65.13	304.73	1.55	-63.58
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL250005023964	1	31	0.0	-64.37	280.62	0.92	-63.45
CC(C)[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024040	0	39	0.0	-53.99	296.57	2.07	-51.92
O=C(NCC1=NC(=O)O[N-]1)C1C[NH+](C2CCCCC2)C1	REAL250005024095	0	40	0.0	-52.77	313.59	2.78	-49.99
CC(C)[NH+]1CCN(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024100	0	44	0.0	-55.39	331.56	0.26	-55.13
CC(C)N1CC[NH+](CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005024100	1	44	0.0	-54.04	332.99	0.44	-53.60
C[NH+](C)CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL250005024116	0	36	0.0	-65.48	305.64	0.96	-64.52
C[NH+](C)CCN1C=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL250005024184	0	36	0.0	-64.94	306.01	0.96	-63.98
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024185	0	36	0.0	-53.00	301.18	0.93	-52.07
CC[C@@H]1[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC[N@@H+]1C	REAL250005024188	0	36	0.0	-54.80	278.29	1.16	-53.64
CC[C@@H]1[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC[N@H+]1C	REAL250005024188	1	36	0.0	-54.06	283.20	1.50	-52.56
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250005024228	0	36	0.0	-57.49	296.05	-0.07	-57.56
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024258	0	36	0.0	-47.17	283.33	1.21	-45.96
CC(C)(C)[N@H+]1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024258	1	36	0.0	-47.01	282.62	1.15	-45.86
O=C(NCC1=NC(=O)O[N-]1)C12CC[N@H+](C1)CCC2	REAL250005024280	0	34	0.0	-55.22	263.25	0.69	-54.53
O=C(NCC1=NC(=O)O[N-]1)C12CC[N@@H+](C1)CCC2	REAL250005024280	1	34	0.0	-55.83	263.00	0.70	-55.13
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024306	1	37	0.0	-48.65	307.27	2.67	-45.98
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+]1C1CCCC1	REAL250005024355	0	37	0.0	-48.91	287.26	1.94	-46.97
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+]1C1CCCC1	REAL250005024355	1	37	0.0	-49.06	287.01	1.81	-47.25
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024424	1	34	0.0	-47.06	286.98	2.19	-44.87
O=C(NCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOC2)C1	REAL250005024425	0	35	0.0	-54.65	287.66	-0.15	-54.80
O=C(NCC1=NC(=O)O[N-]1)C12CCC[NH+](CCC1)C2	REAL250005024428	0	37	0.0	-57.08	278.71	1.67	-55.41
O=C(NCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOCC2)C1	REAL250005024434	0	38	0.0	-55.00	305.03	0.42	-54.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024435	1	39	0.0	-54.22	320.46	3.89	-50.33
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005024435	1	39	0.0	-54.18	320.46	3.90	-50.28
O=C(NCC1=NC(=O)O[N-]1)C1CCC2CCCC[N@@H+]21	REAL250005024449	0	37	0.0	-46.24	282.20	1.94	-44.30
O=C(NCC1=NC(=O)O[N-]1)C1CCC2CCCC[N@H+]21	REAL250005024449	1	37	0.0	-44.92	288.59	2.37	-42.55
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@@H+]21	REAL250005024519	0	37	0.0	-44.02	285.72	2.30	-41.72
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@H+]21	REAL250005024519	1	37	0.0	-47.86	278.01	2.03	-45.83
CC1C[N@H+](C)CC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024520	1	34	0.0	-56.37	273.17	0.63	-55.74
CC1C[N@@H+](C)CC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024520	1	34	0.0	-56.38	273.19	0.63	-55.75
C[N@@H+]1CCCC1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024522	0	36	0.0	-54.85	283.22	1.50	-53.35
C[N@H+]1CCCC1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005024522	1	36	0.0	-54.87	283.26	1.49	-53.38
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005024531	0	38	0.0	-49.46	291.46	2.04	-47.42
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005024531	1	38	0.0	-49.60	291.10	2.02	-47.58
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL250005024586	0	39	0.0	-44.18	290.67	2.44	-41.74
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005024604	0	40	0.0	-51.83	302.13	0.55	-51.28
CN1CC[N@H+](C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024605	0	38	0.0	-53.93	291.63	-0.39	-54.32
CN1CC[N@@H+](C)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024605	1	38	0.0	-53.98	291.68	-0.38	-54.36
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL250005024628	1	32	0.0	-44.99	270.63	0.52	-44.47
C[N@@H+]1CCCC(O)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024662	0	37	0.0	-51.54	281.94	-0.38	-51.92
C[N@H+]1CCCC(O)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024662	1	37	0.0	-51.03	291.64	-0.18	-51.21
C[NH+]1CC(N2CC(C(=O)NCC3=NC(=O)O[N-]3)CC2=O)C1	REAL250005024755	1	38	0.0	-62.64	310.12	0.32	-62.32
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005024903	0	39	0.0	-63.42	321.97	3.79	-59.63
O=C(CC[N@H+]1CCC(F)C1)NCC1=NC(=O)O[N-]1	REAL250005024915	0	33	0.0	-57.71	275.52	1.28	-56.43
O=C(CC[N@@H+]1CCC(F)C1)NCC1=NC(=O)O[N-]1	REAL250005024915	1	33	0.0	-57.71	275.51	1.28	-56.43
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005024920	1	33	0.0	-59.02	284.82	1.17	-57.85
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024921	0	39	0.0	-47.53	293.97	2.46	-45.07
CC(C)[N@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024921	1	39	0.0	-51.43	300.22	2.26	-49.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL250005024922	0	37	0.0	-57.89	311.24	2.39	-55.50
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024924	0	39	0.0	-53.22	305.06	2.49	-50.73
CCC[N@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005024924	1	39	0.0	-53.23	305.06	2.49	-50.74
C[N@@H+]1CC(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)C1	REAL250005024925	0	33	0.0	-64.39	275.70	1.74	-62.65
C[N@H+]1CC(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)C1	REAL250005024925	1	33	0.0	-62.17	278.04	1.21	-60.96
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1O	REAL250005024978	0	37	0.0	-48.26	292.34	-1.32	-49.58
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1O	REAL250005024978	1	37	0.0	-47.86	291.96	-1.15	-49.01
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025002	0	39	0.0	-47.26	300.29	2.11	-45.15
CC(C)C[N@H+]1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025002	1	39	0.0	-46.46	305.64	2.56	-43.90
O=C(C[NH+]1CCC(CO)CC1)NCC1=NC(=O)O[N-]1	REAL250005025003	1	37	0.0	-51.27	295.11	-1.35	-52.62
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005025007	0	36	0.0	-52.14	274.09	-1.54	-53.68
CC1CN2CC[N@H+]1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL250005025007	1	36	0.0	-52.12	274.20	-1.54	-53.66
CC(C)C[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025025	0	42	0.0	-55.82	322.39	3.21	-52.61
C[NH+](C)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL250005025049	0	36	0.0	-49.07	273.68	1.93	-47.14
CC1CC2CCC(C(=O)NCC3=NC(=O)O[N-]3)C[N@@H+]2C1	REAL250005025053	0	40	0.0	-47.62	303.56	3.00	-44.62
CC1CC2CCC(C(=O)NCC3=NC(=O)O[N-]3)C[N@H+]2C1	REAL250005025053	1	40	0.0	-46.10	303.55	3.04	-43.06
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250005025058	0	40	0.0	-54.10	291.63	2.23	-51.87
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250005025058	1	40	0.0	-47.85	296.04	2.95	-44.90
CC(C)[N@@H+]1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025094	0	36	0.0	-46.84	274.19	1.75	-45.09
CC(C)[N@H+]1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005025094	1	36	0.0	-46.64	280.12	1.58	-45.06
C[NH+]1CCC(OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025117	0	37	0.0	-61.03	301.27	1.56	-59.47
C[N@H+]1CC=C(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025353	0	34	0.0	-56.37	280.46	1.79	-54.58
C[N@@H+]1CC=C(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005025353	1	34	0.0	-54.92	280.45	1.79	-53.13
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+]2CCOCC12	REAL250005025463	0	35	0.0	-50.72	276.42	-0.21	-50.93
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+]2CCOCC12	REAL250005025463	1	35	0.0	-50.63	276.57	-0.22	-50.85
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025554	0	42	0.0	-60.27	303.69	2.15	-58.12
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005025554	1	42	0.0	-59.29	311.30	2.58	-56.71
CC1=C(C)[NH+]=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005025636	1	34	0.0	-49.01	291.56	0.75	-48.26
C[NH+](C)CCSCC(=O)NCC1=NC(=O)O[N-]1	REAL250005025774	0	33	0.0	-60.16	288.22	1.39	-58.77
O=C(NCC1=NC(=O)O[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL250005025776	0	35	0.0	-45.79	286.16	1.87	-43.92
O=C(NCC1=NC(=O)O[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL250005025776	1	35	0.0	-46.05	279.19	2.90	-43.15
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL250005025791	0	34	0.0	-72.94	281.21	-0.83	-73.77
CC1=[NH+]C=C2C=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN21	REAL250005025792	0	31	0.0	-51.90	272.91	2.74	-49.16
CC[N@@H+]1CCOCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025799	0	37	0.0	-55.15	289.49	-0.08	-55.23
CC[N@H+]1CCOCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005025799	1	37	0.0	-55.14	289.52	-0.07	-55.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005026279	0	39	0.0	-51.89	293.62	2.16	-49.73
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026326	0	42	0.0	-48.70	316.21	3.39	-45.31
CC(C)C[N@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026326	1	42	0.0	-48.70	316.21	3.39	-45.31
CC[N@@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026327	0	36	0.0	-52.85	283.57	1.74	-51.11
CC[N@H+]1CCCC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005026327	1	36	0.0	-52.85	283.57	1.74	-51.11
O=C(CCCC[NH+]1CCCC1)NCCC1=NC(=O)O[N-]1	REAL250005026911	0	42	0.0	-67.58	334.83	3.27	-64.31
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005026931	1	39	0.0	-66.99	320.16	3.55	-63.44
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005026931	1	39	0.0	-67.00	320.16	3.55	-63.45
C#CC[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005026941	0	38	0.0	-72.54	313.25	2.82	-69.72
CCC[N@@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005026942	0	42	0.0	-58.63	324.79	2.94	-55.69
CCC[N@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005026942	1	42	0.0	-58.62	324.78	2.93	-55.69
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL250005026943	0	45	0.0	-56.90	332.52	3.39	-53.51
O=C(CC[NH+]1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL250005026984	1	37	0.0	-68.50	298.77	-0.03	-68.53
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005026992	1	39	0.0	-59.67	318.16	3.44	-56.23
CC1=[NH+]C=CN1CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027018	1	37	0.0	-63.77	314.47	2.85	-60.92
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1C(C)CCC1C	REAL250005027023	0	42	0.0	-56.47	312.86	2.44	-54.03
CCC[NH+](CCC)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027040	0	47	0.0	-66.84	361.59	3.88	-62.96
C[NH+](C)CCCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027070	0	38	0.0	-69.18	308.87	2.10	-67.08
CCCCCC[N@H+](C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027072	0	44	0.0	-63.83	347.23	3.70	-60.13
CCCCCC[N@@H+](C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027072	1	44	0.0	-63.85	347.22	3.70	-60.15
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)[NH+](C)C	REAL250005027076	0	38	0.0	-61.40	292.95	2.19	-59.21
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CC[NH+](C)CC1	REAL250005027092	1	41	0.0	-64.85	314.45	-0.22	-65.07
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCCCCC1	REAL250005027127	0	42	0.0	-59.13	314.59	2.74	-56.39
C[N@@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027130	0	36	0.0	-59.02	285.46	1.54	-57.48
C[N@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027130	1	36	0.0	-58.95	285.44	1.54	-57.41
CC(C)C1=[NH+]C=CN1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027139	1	40	0.0	-59.47	328.91	3.11	-56.36
CC[N@@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005027147	1	37	0.0	-64.85	291.54	0.90	-63.95
CC[N@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005027147	1	37	0.0	-64.76	291.56	0.89	-63.87
CC1CCC(C)[NH+]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005027216	0	39	0.0	-59.24	300.64	1.98	-57.26
C[NH+](C)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005027235	0	39	0.0	-69.22	321.65	3.44	-65.78
CC[NH+]1CCN(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027236	0	44	0.0	-68.63	340.95	0.46	-68.17
CCN1CC[NH+](CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027236	1	44	0.0	-66.42	342.11	0.61	-65.81
C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027244	0	36	0.0	-70.42	288.06	1.62	-68.80
CCC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+](CC)CC	REAL250005027252	0	41	0.0	-56.41	306.09	1.97	-54.44
C[N@@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005027268	1	34	0.0	-76.03	280.87	0.41	-75.62
C[N@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005027268	1	34	0.0	-65.51	273.75	0.25	-65.26
C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027304	0	36	0.0	-58.98	285.46	1.54	-57.44
C[N@H+]1CCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027304	1	36	0.0	-60.84	276.15	1.37	-59.47
C[NH+](C)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL250005027374	0	36	0.0	-52.86	309.29	2.56	-50.30
C[NH+](C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL250005027381	0	36	0.0	-66.86	279.21	1.32	-65.54
CC1CC[NH+](CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027388	0	39	0.0	-63.12	306.46	2.45	-60.67
CC(C)[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)[NH+](C)C	REAL250005027416	0	38	0.0	-60.94	289.75	2.46	-58.48
C[NH+](C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005027472	1	35	0.0	-72.92	301.61	0.92	-72.00
CC(C[NH+]1CCOCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027506	0	40	0.0	-66.38	314.81	0.69	-65.69
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005027529	0	37	0.0	-67.44	302.99	2.18	-65.26
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005027529	1	37	0.0	-66.67	304.25	2.17	-64.50
CC[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL250005027550	0	36	0.0	-58.93	292.10	1.98	-56.95
CC[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL250005027550	1	36	0.0	-58.77	288.39	1.71	-57.06
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CCCC1	REAL250005027561	0	43	0.0	-62.84	319.53	3.29	-59.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CCCC1	REAL250005027561	1	43	0.0	-60.73	329.47	3.34	-57.39
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+](C)C	REAL250005027582	0	38	0.0	-60.62	295.53	1.71	-58.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL250005027591	1	31	0.0	-71.90	273.94	3.47	-68.43
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCSCC1	REAL250005027592	1	37	0.0	-62.59	302.49	1.93	-60.66
C[NH+]1CCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005027606	0	39	0.0	-62.88	300.76	2.03	-60.85
CCC(C)(C)[NH2+]C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005027610	0	41	0.0	-61.39	308.83	0.51	-60.88
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC2=C[NH+]=CN21	REAL250005027635	0	34	0.0	-67.91	295.82	3.71	-64.20
C[NH+](C)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL250005027738	0	45	0.0	-64.19	331.98	3.32	-60.87
C[N@H+](CCC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005027746	0	45	0.0	-66.81	341.92	3.56	-63.25
C[N@@H+](CCC(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL250005027746	1	45	0.0	-66.83	341.91	3.55	-63.28
O=C(CCCC[NH+]1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL250005027873	1	43	0.0	-70.80	341.77	1.54	-69.26
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](C2CC2)CC1	REAL250005027972	0	40	0.0	-67.29	317.34	3.03	-64.26
O=C(NCCC1=NC(=O)O[N-]1)C12CCC[NH+]1CCC2	REAL250005027978	0	37	0.0	-64.42	288.23	1.95	-62.47
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CC1	REAL250005028047	0	37	0.0	-58.00	300.93	2.48	-55.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CC1	REAL250005028047	1	37	0.0	-58.04	295.98	2.33	-55.71
CC(C)[N@@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028076	0	40	0.0	-63.01	308.31	1.42	-61.59
CC(C)[N@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028076	1	40	0.0	-71.65	315.47	1.58	-70.07
C[NH+](C)CC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028092	0	39	0.0	-51.35	314.58	3.71	-47.64
CC1=[NH+]C=C2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CN21	REAL250005028129	1	38	0.0	-59.64	311.12	2.70	-56.94
C[NH+](C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005028151	0	38	0.0	-71.96	317.45	1.59	-70.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL250005028156	0	31	0.0	-66.11	273.67	3.45	-62.66
CC1=[NH+]C=CN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028165	1	31	0.0	-59.89	272.93	1.57	-58.32
CC(C)[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005028376	0	42	0.0	-67.22	318.72	2.57	-64.65
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL250005028401	0	36	0.0	-60.24	289.60	1.94	-58.30
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL250005028401	1	36	0.0	-60.59	289.74	1.95	-58.64
O=C(NCCC1=NC(=O)O[N-]1)C1C[NH+](C2CCCCC2)C1	REAL250005028434	0	43	0.0	-66.97	335.48	3.31	-63.66
C[NH+](C)CCN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL250005028452	0	39	0.0	-74.29	327.81	1.45	-72.84
C[NH+](C)CCN1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL250005028518	0	39	0.0	-78.81	328.18	1.46	-77.35
C[NH+](C)CCN1N=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028519	0	39	0.0	-57.39	323.27	1.42	-55.97
CC[C@@H]1[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@@H+]1C	REAL250005028523	0	39	0.0	-66.60	300.92	1.65	-64.95
CC[C@@H]1[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@H+]1C	REAL250005028523	1	39	0.0	-63.60	304.51	2.17	-61.43
C[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@@H+]1C	REAL250005028531	0	36	0.0	-69.19	280.08	0.92	-68.27
C[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@H+]1C	REAL250005028531	1	36	0.0	-67.82	286.39	1.19	-66.63
CC(C)(C)[N@@H+]1CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028582	0	39	0.0	-59.83	304.84	1.66	-58.17
CC(C)(C)[N@H+]1CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028582	1	39	0.0	-59.60	305.43	1.70	-57.90
O=C(NCCC1=NC(=O)O[N-]1)C12CC[N@H+](C1)CCC2	REAL250005028603	0	37	0.0	-70.93	285.45	1.19	-69.74
O=C(NCCC1=NC(=O)O[N-]1)C12CC[N@@H+](C1)CCC2	REAL250005028603	1	37	0.0	-66.30	285.15	1.17	-65.13
CCC1=[NH+]C=CN1C(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028619	1	40	0.0	-60.11	329.45	3.16	-56.95
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+]1C1CCCC1	REAL250005028656	0	40	0.0	-61.64	309.50	2.45	-59.19
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+]1C1CCCC1	REAL250005028656	1	40	0.0	-61.63	309.56	2.40	-59.23
C[NH+](C)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005028687	0	36	0.0	-65.05	295.17	1.71	-63.34
CC(C)C1=[NH+]C=CN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028722	1	37	0.0	-58.69	309.15	2.68	-56.01
O=C(NCCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOC2)C1	REAL250005028723	0	38	0.0	-70.74	310.53	0.23	-70.51
O=C(NCCC1=NC(=O)O[N-]1)C12CCC[NH+](CCC1)C2	REAL250005028724	0	40	0.0	-65.51	300.90	2.16	-63.35
O=C(NCCC1=NC(=O)O[N-]1)C12CC[NH+](CC1)C2	REAL250005028729	0	34	0.0	-67.52	275.12	0.46	-67.06
O=C(NCCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOCC2)C1	REAL250005028730	0	41	0.0	-69.00	326.70	0.91	-68.09
C[N@@H+]1CC(O)CC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028741	1	37	0.0	-65.73	291.42	-1.66	-67.39
C[N@H+]1CC(O)CC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028741	1	37	0.0	-66.98	291.14	-1.74	-68.72
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2CCCC[N@@H+]21	REAL250005028742	0	40	0.0	-59.58	304.31	2.43	-57.15
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2CCCC[N@H+]21	REAL250005028742	1	40	0.0	-59.39	304.23	2.43	-56.96
CC1=C[NH+]=CN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028764	1	31	0.0	-62.73	273.27	2.30	-60.43
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@@H+]21	REAL250005028799	0	40	0.0	-59.77	300.18	2.51	-57.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@H+]21	REAL250005028799	1	40	0.0	-58.91	299.75	2.50	-56.41
CC1C[N@H+](C)CC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005028800	1	37	0.0	-65.96	294.99	0.99	-64.97
CC1C[N@@H+](C)CC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005028800	1	37	0.0	-66.07	294.95	1.00	-65.07
C[N@@H+]1CCCC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028802	0	39	0.0	-68.67	310.89	2.45	-66.22
C[N@H+]1CCCC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005028802	1	39	0.0	-64.99	305.45	1.98	-63.01
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005028812	0	41	0.0	-62.37	313.13	2.45	-59.92
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005028812	1	41	0.0	-62.34	313.64	2.53	-59.81
C=C(CC[NH+](C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028821	0	36	0.0	-73.31	297.45	1.81	-71.50
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCCCC1	REAL250005028865	0	42	0.0	-61.51	312.85	2.93	-58.58
C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005028873	0	36	0.0	-70.42	288.06	1.62	-68.80
CC(C)(C[NH+]1CCOCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028881	0	43	0.0	-61.10	324.31	1.04	-60.06
CN1CC[N@H+](C)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028882	0	41	0.0	-63.34	316.15	0.15	-63.19
CN1CC[N@@H+](C)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028882	1	41	0.0	-62.21	313.63	0.12	-62.09
CNC1=[NH+]C(C)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005028904	1	35	0.0	-57.48	292.80	1.02	-56.46
C[N@@H+]1CCCC(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028935	0	40	0.0	-60.23	304.10	0.11	-60.12
C[N@H+]1CCCC(O)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005028935	1	40	0.0	-59.74	313.80	0.31	-59.43
C[N@@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029004	0	36	0.0	-59.02	285.46	1.54	-57.48
C[N@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029004	1	36	0.0	-58.95	285.44	1.54	-57.41
O=C(CC[N@H+]1CCC(F)C1)NCCC1=NC(=O)O[N-]1	REAL250005029130	0	36	0.0	-70.43	298.10	1.77	-68.66
O=C(CC[N@@H+]1CCC(F)C1)NCCC1=NC(=O)O[N-]1	REAL250005029130	1	36	0.0	-70.46	298.10	1.77	-68.69
C[NH+](C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005029135	1	36	0.0	-73.30	308.08	1.77	-71.53
CC(C)[N@@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029136	0	42	0.0	-62.52	322.37	2.75	-59.77
CC(C)[N@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029136	1	42	0.0	-56.22	316.16	2.95	-53.27
CCC[N@@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029138	0	42	0.0	-56.88	321.01	3.17	-53.71
CCC[N@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029138	1	42	0.0	-56.83	321.00	3.17	-53.66
CC(CC[NH+](C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029139	0	38	0.0	-67.14	303.54	1.86	-65.28
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1O	REAL250005029187	0	40	0.0	-59.26	314.51	-0.83	-60.09
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@H]1O	REAL250005029187	1	40	0.0	-59.99	314.39	-0.65	-60.64
CC(C)C[N@@H+]1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029207	0	42	0.0	-59.43	328.43	3.13	-56.30
CC(C)C[N@H+]1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029207	1	42	0.0	-60.68	322.45	2.61	-58.07
O=C(C[NH+]1CCC(CO)CC1)NCCC1=NC(=O)O[N-]1	REAL250005029208	0	40	0.0	-63.90	317.29	-0.86	-64.76
CC1CN2CC[N@@H+]1CC2C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029213	0	39	0.0	-70.60	294.85	-1.15	-71.75
CC1CN2CC[N@H+]1CC2C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029213	1	39	0.0	-67.96	296.26	-1.07	-69.03
CC(C)C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005029228	0	45	0.0	-69.69	344.64	3.73	-65.96
C[NH+](C)C1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL250005029246	0	39	0.0	-67.81	294.62	2.16	-65.65
CC1CC2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C[N@@H+]2C1	REAL250005029248	0	43	0.0	-56.91	325.74	3.50	-53.41
CC1CC2CCC(C(=O)NCCC3=NC(=O)O[N-]3)C[N@H+]2C1	REAL250005029248	1	43	0.0	-62.42	331.86	3.26	-59.16
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL250005029253	0	43	0.0	-65.98	313.89	2.71	-63.27
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL250005029253	1	43	0.0	-56.53	318.14	3.44	-53.09
CC(C)[N@@H+]1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029279	0	39	0.0	-57.74	305.32	2.17	-55.57
CC(C)[N@H+]1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005029279	1	39	0.0	-58.34	302.41	2.08	-56.26
CC(C)(C)[NH2+]CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029286	0	38	0.0	-68.34	304.01	0.26	-68.08
C[NH+]1CCC(OCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005029302	0	40	0.0	-73.44	323.46	2.05	-71.39
C[NH+](C)CC(O)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029329	0	36	0.0	-71.40	295.98	-1.00	-72.40
C=CCC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+](C)C	REAL250005029439	0	36	0.0	-59.52	287.21	1.47	-58.05
C[N@@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029448	0	36	0.0	-65.50	288.10	1.58	-63.92
C[N@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029448	1	36	0.0	-65.48	288.07	1.57	-63.91
C[N@H+]1CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005029482	0	37	0.0	-64.35	302.64	2.28	-62.07
C[N@@H+]1CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005029482	1	37	0.0	-62.04	302.63	2.28	-59.76
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+]2CCOCC12	REAL250005029586	0	38	0.0	-68.86	302.43	0.22	-68.64
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+]2CCOCC12	REAL250005029586	1	38	0.0	-60.82	298.73	0.28	-60.54
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029664	0	45	0.0	-68.75	333.49	3.07	-65.68
C[N@H+]1CCCC(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005029664	1	45	0.0	-68.69	333.50	3.09	-65.60
CC1=C(C)[NH+]=C(CCC(=O)NCCC2=NC(=O)O[N-]2)N1	REAL250005029737	1	37	0.0	-60.35	313.74	1.24	-59.11
C[NH+](C)CCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029853	0	36	0.0	-72.31	310.40	1.88	-70.43
O=C(NCCC1=NC(=O)O[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL250005029855	0	38	0.0	-62.13	301.65	2.67	-59.46
O=C(NCCC1=NC(=O)O[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL250005029855	1	38	0.0	-63.89	301.54	3.27	-60.62
CC1=[NH+]C=C2C=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN21	REAL250005029871	0	34	0.0	-62.46	295.09	3.23	-59.23
CC[N@@H+]1CCOCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029881	0	40	0.0	-68.82	311.67	0.41	-68.41
CC[N@H+]1CCOCC1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005029881	1	40	0.0	-68.85	311.69	0.42	-68.43
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030254	0	36	0.0	-66.08	293.10	1.67	-64.41
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030262	0	42	0.0	-60.38	315.79	2.63	-57.75
CC(C)C[N@@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030304	0	45	0.0	-64.56	344.95	3.67	-60.89
CC(C)C[N@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030304	1	45	0.0	-64.56	344.95	3.67	-60.89
CC[N@@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030305	0	39	0.0	-63.58	305.73	2.23	-61.35
CC[N@H+]1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005030305	1	39	0.0	-63.58	305.73	2.23	-61.35
C[NH+](C)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL250005030462	0	36	0.0	-65.21	306.27	-0.76	-65.97
C[NH+](C)C1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005030503	1	37	0.0	-56.12	305.67	-0.32	-56.44
C[NH+](C)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL250005030897	0	33	0.0	-70.71	284.20	-1.30	-72.01
O=C1N=C(CNS(=O)(=O)CCC[NH+]2CCCC2)[N-]O1	REAL250005030900	0	37	0.0	-69.46	310.16	-0.11	-69.57
C[NH+](C)C1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005030951	1	34	0.0	-59.10	279.57	-0.68	-59.78
C[NH+](C)CC1=CC=CC(NC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031229	0	38	0.0	-63.45	314.02	2.23	-61.22
C#CC[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005031881	0	35	0.0	-58.02	290.61	2.27	-55.75
C[NH+](C)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL250005031891	0	36	0.0	-61.68	299.48	2.95	-58.73
C[NH+](C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005031931	1	36	0.0	-48.03	296.05	2.95	-45.08
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005031935	1	36	0.0	-53.44	297.98	3.06	-50.38
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005031935	1	36	0.0	-53.42	298.03	3.06	-50.36
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005031940	0	39	0.0	-57.74	317.17	2.35	-55.39
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005032002	0	36	0.0	-63.73	299.46	2.95	-60.78
CC1=[NH+]C=CN1CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032038	1	34	0.0	-52.86	292.29	2.36	-50.50
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1C(C)CCC1C	REAL250005032050	0	39	0.0	-44.44	292.01	1.81	-42.63
CCC[NH+](CCC)CCCC(=O)NCC1=NC(=O)O[N-]1	REAL250005032081	0	44	0.0	-55.91	339.41	3.39	-52.52
CC[N@H+](C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032082	1	39	0.0	-46.00	313.84	3.63	-42.37
CC[N@@H+](C)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005032082	1	39	0.0	-47.92	308.88	3.45	-44.47
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032103	1	39	0.0	-57.85	314.82	4.09	-53.76
CCCCCC[N@H+](C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032105	0	41	0.0	-51.44	325.05	3.22	-48.22
CCCCCC[N@@H+](C)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005032105	1	41	0.0	-51.44	325.05	3.22	-48.22
C[NH+]1CCN(CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032123	1	35	0.0	-56.53	280.34	-1.03	-57.56
CC[N@@H+]1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032125	0	36	0.0	-45.76	281.10	1.69	-44.07
CC[N@H+]1CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005032125	1	36	0.0	-45.77	281.10	1.70	-44.07
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCCCCC1	REAL250005032164	0	39	0.0	-46.49	292.42	2.25	-44.24
CC[N@@H+]1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032180	1	34	0.0	-54.99	276.48	0.56	-54.43
CC[N@H+]1CCOC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL250005032180	1	34	0.0	-49.03	269.38	0.39	-48.64
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL250005032245	1	39	0.0	-49.29	316.29	3.46	-45.83
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL250005032245	1	39	0.0	-50.15	316.10	3.44	-46.71
CC(C)C([NH2+]C1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032255	0	43	0.0	-50.46	326.36	0.23	-50.23
CC1CC[NH+](CC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005032464	0	36	0.0	-49.94	284.28	1.96	-47.98
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+]2CCN1CCC2	REAL250005032503	0	36	0.0	-56.74	266.08	-1.45	-58.19
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+]2CCN1CCC2	REAL250005032503	1	36	0.0	-56.17	268.13	-0.73	-56.90
C[NH+](C)CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL250005032510	1	32	0.0	-66.66	279.40	0.43	-66.23
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005032519	0	34	0.0	-54.87	280.81	1.69	-53.18
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005032519	1	34	0.0	-54.33	280.61	1.71	-52.62
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CCCC1	REAL250005032563	0	40	0.0	-46.57	308.56	3.09	-43.48
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CCCC1	REAL250005032563	1	40	0.0	-47.45	307.25	2.85	-44.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL250005032588	1	28	0.0	-59.12	251.76	2.97	-56.15
CCC(C)(C)[NH2+]C(C)C(=O)NCC1=NC(=O)O[N-]1	REAL250005032606	0	38	0.0	-49.55	286.74	0.10	-49.45
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC2=C[NH+]=CN21	REAL250005032629	0	31	0.0	-55.99	265.40	3.33	-52.66
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL250005032816	0	43	0.0	-45.25	319.27	3.27	-41.98
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL250005032816	1	43	0.0	-44.89	318.88	3.27	-41.62
O=C(CCCC[NH+]1CCOCC1)NCC1=NC(=O)O[N-]1	REAL250005032851	1	40	0.0	-59.70	319.59	1.06	-58.64
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL250005032975	1	31	0.0	-66.16	281.02	0.90	-65.26
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](C2CC2)CC1	REAL250005032996	0	37	0.0	-53.98	290.76	2.33	-51.65
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CC1	REAL250005033015	0	34	0.0	-46.02	278.82	1.97	-44.05
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CC1	REAL250005033015	1	34	0.0	-45.63	273.84	1.79	-43.84
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL250005033118	0	28	0.0	-56.54	251.49	2.97	-53.57
C[NH+](C)CCC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL250005033220	0	39	0.0	-65.36	321.96	3.79	-61.57
CC(C)[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005033233	0	39	0.0	-53.99	296.57	2.07	-51.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL250005033248	1	31	0.0	-64.37	280.62	0.92	-63.45
CC1=[NH+]C=C2CC(C(=O)NCC3=NC(=O)O[N-]3)CCN21	REAL250005033278	1	35	0.0	-50.29	289.85	2.20	-48.09
CC[C@@H]1[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC[N@@H+]1C	REAL250005033419	0	36	0.0	-54.80	278.29	1.16	-53.64
CC[C@@H]1[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC[N@H+]1C	REAL250005033419	1	36	0.0	-54.06	283.20	1.50	-52.56
O=C(NCC1=NC(=O)O[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL250005033454	0	36	0.0	-57.49	296.05	-0.07	-57.56
O=C(NCC1=NC(=O)O[N-]1)C12CC[N@H+](C1)CCC2	REAL250005033485	0	34	0.0	-55.22	263.25	0.69	-54.53
O=C(NCC1=NC(=O)O[N-]1)C12CC[N@@H+](C1)CCC2	REAL250005033485	1	34	0.0	-55.83	263.00	0.70	-55.13
CC(C)(C)[N@@H+]1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033497	0	36	0.0	-47.17	283.33	1.21	-45.96
CC(C)(C)[N@H+]1CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005033497	1	36	0.0	-47.01	282.62	1.15	-45.86
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+]1C1CCCC1	REAL250005033545	0	37	0.0	-48.91	287.26	1.94	-46.97
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+]1C1CCCC1	REAL250005033545	1	37	0.0	-49.06	287.01	1.81	-47.25
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@@H+]21	REAL250005033579	0	37	0.0	-44.02	285.72	2.30	-41.72
O=C(NCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@H+]21	REAL250005033579	1	37	0.0	-47.86	278.01	2.03	-45.83
CC1C[N@H+](C)CC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033580	1	34	0.0	-56.37	273.17	0.63	-55.74
CC1C[N@@H+](C)CC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL250005033580	1	34	0.0	-56.38	273.19	0.63	-55.75
C[N@@H+]1CCCC1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033582	0	36	0.0	-54.85	283.22	1.50	-53.35
C[N@H+]1CCCC1CCC(=O)NCC1=NC(=O)O[N-]1	REAL250005033582	1	36	0.0	-54.87	283.26	1.49	-53.38
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033606	1	34	0.0	-47.06	286.98	2.19	-44.87
O=C(NCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOC2)C1	REAL250005033607	0	35	0.0	-54.65	287.66	-0.15	-54.80
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033610	1	39	0.0	-54.22	320.46	3.89	-50.33
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=NC(=O)O[N-]1	REAL250005033610	1	39	0.0	-54.18	320.46	3.90	-50.28
O=C(NCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOCC2)C1	REAL250005033678	0	38	0.0	-55.00	305.03	0.42	-54.58
C[N@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005033691	0	38	0.0	-49.46	291.46	2.04	-47.42
C[N@@H+](CC(=O)NCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005033691	1	38	0.0	-49.60	291.10	2.02	-47.58
CC(C)[N@@H+]1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034018	0	36	0.0	-46.84	274.19	1.75	-45.09
CC(C)[N@H+]1CCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL250005034018	1	36	0.0	-46.64	280.12	1.58	-45.06
C[NH+]1CCC(OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034042	0	37	0.0	-61.03	301.27	1.56	-59.47
CC1=C(C)[NH+]=C(CCC(=O)NCC2=NC(=O)O[N-]2)N1	REAL250005034411	1	34	0.0	-49.01	291.56	0.75	-48.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL250005034903	0	39	0.0	-51.89	293.62	2.16	-49.73
C#CC[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005035391	0	38	0.0	-72.54	313.25	2.82	-69.72
C[NH+](C)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL250005035399	0	39	0.0	-69.22	321.65	3.44	-65.78
CN(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005035430	0	39	0.0	-59.67	318.16	3.44	-56.23
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL250005035430	1	39	0.0	-59.67	318.16	3.44	-56.23
CN(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005035434	0	39	0.0	-66.99	320.16	3.55	-63.44
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005035434	1	39	0.0	-67.00	320.16	3.55	-63.45
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=CC=C1	REAL250005035434	1	39	0.0	-67.00	320.16	3.55	-63.45
C[NH+](C)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL250005035483	0	39	0.0	-76.37	321.64	3.44	-72.93
CC1=[NH+]C=CN1CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005035509	1	37	0.0	-63.77	314.47	2.85	-60.92
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1C(C)CCC1C	REAL250005035518	0	42	0.0	-56.47	312.86	2.44	-54.03
CCC[NH+](CCC)CCCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005035535	0	47	0.0	-66.84	361.59	3.88	-62.96
CCCCCC[N@H+](C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005035550	0	44	0.0	-63.83	347.23	3.70	-60.13
CCCCCC[N@@H+](C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005035550	1	44	0.0	-63.85	347.22	3.70	-60.15
C[NH+]1CCN(CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005035563	1	38	0.0	-66.24	302.91	-0.53	-66.77
CC[N@@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035565	0	39	0.0	-59.36	293.86	2.04	-57.32
CC[N@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035565	1	39	0.0	-58.02	303.29	2.18	-55.84
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCCCCC1	REAL250005035596	0	42	0.0	-59.13	314.59	2.74	-56.39
C[N@@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035599	0	36	0.0	-59.02	285.46	1.54	-57.48
C[N@H+]1CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035599	1	36	0.0	-58.95	285.44	1.54	-57.41
CC[N@@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005035609	1	37	0.0	-64.85	291.54	0.90	-63.95
CC[N@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005035609	1	37	0.0	-64.76	291.56	0.89	-63.87
C[N@@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005035717	1	34	0.0	-76.03	280.87	0.41	-75.62
C[N@H+]1CCOC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005035717	1	34	0.0	-65.51	273.75	0.25	-65.26
C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035745	0	36	0.0	-58.98	285.46	1.54	-57.44
C[N@H+]1CCCC[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035745	1	36	0.0	-60.84	276.15	1.37	-59.47
CC1CC[NH+](CC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005035839	0	39	0.0	-63.12	306.46	2.45	-60.67
CC(C)[C@@H](C(=O)NCCC1=NC(=O)O[N-]1)[NH+](C)C	REAL250005035855	0	38	0.0	-60.94	289.75	2.46	-58.48
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+]2CCN1CCC2	REAL250005035876	0	39	0.0	-72.03	288.26	-0.96	-72.99
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+]2CCN1CCC2	REAL250005035876	1	39	0.0	-74.51	290.32	-0.24	-74.75
C[NH+](C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL250005035883	1	35	0.0	-72.92	301.61	0.92	-72.00
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005035890	0	37	0.0	-67.44	302.99	2.18	-65.26
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCSC1	REAL250005035890	1	37	0.0	-66.67	304.25	2.17	-64.50
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CCCC1	REAL250005035927	0	43	0.0	-62.84	319.53	3.29	-59.55
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CCCC1	REAL250005035927	1	43	0.0	-60.73	329.47	3.34	-57.39
CC[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL250005035934	0	36	0.0	-58.93	292.10	1.98	-56.95
CC[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CC1	REAL250005035934	1	36	0.0	-58.77	288.39	1.71	-57.06
CCCC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+](C)C	REAL250005035942	0	38	0.0	-60.62	295.53	1.71	-58.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL250005035950	1	31	0.0	-71.90	273.94	3.47	-68.43
CCC(C)(C)[NH2+]C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005035966	0	41	0.0	-61.39	308.83	0.51	-60.88
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC2=C[NH+]=CN21	REAL250005035987	0	34	0.0	-67.91	295.82	3.71	-64.20
O=C(CCCC[NH+]1CCOCC1)NCCC1=NC(=O)O[N-]1	REAL250005036161	1	43	0.0	-70.80	341.77	1.54	-69.26
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](C2CC2)CC1	REAL250005036287	0	40	0.0	-67.29	317.34	3.03	-64.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1C1CC1	REAL250005036305	0	37	0.0	-58.00	300.93	2.48	-55.52
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1C1CC1	REAL250005036305	1	37	0.0	-58.04	295.98	2.33	-55.71
C[NH+](C)CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005036375	0	36	0.0	-65.05	295.17	1.71	-63.34
CCC([NH2+]C(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL250005036379	0	38	0.0	-61.38	298.80	0.42	-60.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL250005036386	0	31	0.0	-66.11	273.67	3.45	-62.66
CC(C)[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005036486	0	42	0.0	-67.22	318.72	2.57	-64.65
CC1=[NH+]C=C2CC(C(=O)NCCC3=NC(=O)O[N-]3)CCN21	REAL250005036531	1	38	0.0	-63.98	312.73	2.71	-61.27
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL250005036563	0	36	0.0	-60.24	289.60	1.94	-58.30
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)C1CCC1	REAL250005036563	1	36	0.0	-60.59	289.74	1.95	-58.64
CC[C@@H]1[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@@H+]1C	REAL250005036658	0	39	0.0	-66.60	300.92	1.65	-64.95
CC[C@@H]1[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@H+]1C	REAL250005036658	1	39	0.0	-63.60	304.51	2.17	-61.43
C[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@@H+]1C	REAL250005036663	0	36	0.0	-69.19	280.08	0.92	-68.27
C[C@@H]1[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CC[N@H+]1C	REAL250005036663	1	36	0.0	-67.82	286.39	1.19	-66.63
O=C(NCCC1=NC(=O)O[N-]1)C12CC[N@H+](C1)CCC2	REAL250005036712	0	37	0.0	-70.93	285.45	1.19	-69.74
O=C(NCCC1=NC(=O)O[N-]1)C12CC[N@@H+](C1)CCC2	REAL250005036712	1	37	0.0	-66.30	285.15	1.17	-65.13
CC(C)(C)[N@@H+]1CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005036720	0	39	0.0	-59.83	304.84	1.66	-58.17
CC(C)(C)[N@H+]1CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005036720	1	39	0.0	-59.60	305.43	1.70	-57.90
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+]1C1CCCC1	REAL250005036752	0	40	0.0	-61.64	309.50	2.45	-59.19
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+]1C1CCCC1	REAL250005036752	1	40	0.0	-61.63	309.56	2.40	-59.23
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@@H+]21	REAL250005036784	0	40	0.0	-59.77	300.18	2.51	-57.26
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC2CCC[N@H+]21	REAL250005036784	1	40	0.0	-58.91	299.75	2.50	-56.41
CC1C[N@H+](C)CC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005036785	1	37	0.0	-65.96	294.99	0.99	-64.97
CC1C[N@@H+](C)CC(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL250005036785	1	37	0.0	-66.07	294.95	1.00	-65.07
C[N@@H+]1CCCC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005036787	0	39	0.0	-68.67	310.89	2.45	-66.22
C[N@H+]1CCCC1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL250005036787	1	39	0.0	-64.99	305.45	1.98	-63.01
CC(C)C1=[NH+]C=CN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005036813	1	37	0.0	-58.69	309.15	2.68	-56.01
O=C(NCCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOC2)C1	REAL250005036814	0	38	0.0	-70.74	310.53	0.23	-70.51
CC1=C[NH+]=CN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL250005036848	1	31	0.0	-62.73	273.27	2.30	-60.43
O=C(NCCC1=NC(=O)O[N-]1)C1C[NH+](C2CCOCC2)C1	REAL250005036870	0	41	0.0	-69.00	326.70	0.91	-68.09
C[N@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005036883	0	41	0.0	-62.37	313.13	2.45	-59.92
C[N@@H+](CC(=O)NCCC1=NC(=O)O[N-]1)CC(C)(C)C	REAL250005036883	1	41	0.0	-62.34	313.64	2.53	-59.81
CC(C)[N@@H+]1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037143	0	39	0.0	-57.74	305.32	2.17	-55.57
CC(C)[N@H+]1CCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL250005037143	1	39	0.0	-58.34	302.41	2.08	-56.26
C[NH+]1CCC(OCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037167	0	40	0.0	-73.44	323.46	2.05	-71.39
CC1=C(C)[NH+]=C(CCC(=O)NCCC2=NC(=O)O[N-]2)N1	REAL250005037460	1	37	0.0	-60.35	313.74	1.24	-59.11
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL250005037843	0	36	0.0	-66.08	293.10	1.67	-64.41
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL250005037851	0	42	0.0	-60.38	315.79	2.63	-57.75