CC1C[NH+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025551760	1	47	0.0	-65.25	374.36	3.84	-61.41
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552631	0	46	0.0	-59.92	360.65	3.80	-56.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300025552636	0	47	0.0	-64.87	372.71	2.12	-62.75
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025552719	0	40	0.0	-46.39	319.16	3.58	-42.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025552719	1	40	0.0	-48.16	324.93	4.10	-44.06
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025552818	0	42	0.0	-58.08	337.32	2.80	-55.28
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025552818	1	42	0.0	-54.86	331.03	3.00	-51.86
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025552830	1	46	0.0	-47.37	346.86	2.41	-44.96
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300025552831	0	43	0.0	-54.23	342.57	4.92	-49.31
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300025552831	1	43	0.0	-58.53	348.83	4.72	-53.81
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025552832	0	43	0.0	-59.60	342.43	4.69	-54.91
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025552833	0	43	0.0	-54.40	342.47	4.65	-49.75
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025552833	1	43	0.0	-54.41	342.42	4.65	-49.76
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025552858	0	48	0.0	-62.00	367.49	3.31	-58.69
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025552915	0	43	0.0	-55.28	358.17	4.98	-50.30
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025552915	1	43	0.0	-55.20	356.84	4.84	-50.36
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552949	0	45	0.0	-61.31	356.41	5.05	-56.26
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552949	1	45	0.0	-61.81	356.87	5.07	-56.74
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025552972	0	43	0.0	-59.60	342.43	4.69	-54.91
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025552975	0	45	0.0	-59.04	348.02	4.56	-54.48
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025552975	1	45	0.0	-59.14	338.82	4.13	-55.01
CC1=NC(C[NH+]2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CS1	REAL300025552996	1	42	0.0	-57.93	349.85	2.45	-55.48
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025553121	0	42	0.0	-46.57	320.02	3.81	-42.76
C[NH+]1CCN(C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025553163	1	45	0.0	-56.02	354.74	2.76	-53.26
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553178	1	48	0.0	-70.07	373.99	1.91	-68.16
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025553180	0	49	0.0	-48.87	379.55	5.94	-42.93
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300025553193	1	42	0.0	-50.28	335.03	2.85	-47.43
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300025553193	1	42	0.0	-51.94	325.51	2.72	-49.22
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553237	0	50	0.0	-54.92	385.51	6.30	-48.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553237	1	50	0.0	-53.44	378.33	6.02	-47.42
CC[N@@H+]1CCCC1CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025553244	0	47	0.0	-59.44	362.67	2.26	-57.18
CC[N@H+]1CCCC1CN1CC(C(=O)NCC2=NC(=O)O[N-]2)CC1=O	REAL300025553244	1	47	0.0	-57.58	364.73	2.26	-55.32
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553249	0	48	0.0	-60.54	375.11	3.56	-56.98
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553251	0	46	0.0	-46.15	361.36	5.28	-40.87
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553251	1	46	0.0	-45.98	361.42	5.30	-40.68
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025553328	1	40	0.0	-49.02	319.79	3.83	-45.19
CC(C(=O)NCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025553328	1	40	0.0	-49.07	319.69	3.83	-45.24
C[NH+](C)CC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025553442	0	39	0.0	-54.66	326.64	3.31	-51.35
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025553443	1	45	0.0	-50.54	358.73	4.80	-45.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300025553468	0	36	0.0	-59.04	310.55	2.09	-56.95
O=C(NCC1=NC(=O)O[N-]1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025553507	0	41	0.0	-52.50	334.32	0.91	-51.59
O=C(NCC1=NC(=O)O[N-]1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025553507	1	41	0.0	-52.26	334.54	0.88	-51.38
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025553588	1	44	0.0	-62.97	348.87	3.95	-59.02
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1=NC(=O)O[N-]1	REAL300025553588	1	44	0.0	-62.39	355.65	4.00	-58.39
CC1=CC=C(N2CCC(C(=O)NCC3=NC(=O)O[N-]3)CC2)[NH+]=C1	REAL300025553608	1	42	0.0	-53.09	335.36	2.54	-50.55
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025553612	0	43	0.0	-46.12	339.99	4.60	-41.52
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025553612	1	43	0.0	-47.69	330.52	4.45	-43.24
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025553638	0	48	0.0	-58.27	375.53	3.47	-54.80
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553639	0	45	0.0	-58.21	354.12	2.80	-55.41
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1=NC(=O)O[N-]1	REAL300025553640	0	44	0.0	-57.91	351.87	2.22	-55.69
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025553641	0	45	0.0	-59.32	358.16	2.37	-56.95
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1=NC(=O)O[N-]1	REAL300025553651	0	44	0.0	-54.41	314.25	1.13	-53.28
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300025553655	1	41	0.0	-52.07	328.29	3.32	-48.75
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300025553655	1	41	0.0	-55.93	335.44	3.49	-52.44
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025553667	0	45	0.0	-59.92	357.22	2.19	-57.73
CN1CC[NH+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025553667	1	45	0.0	-63.09	357.56	2.26	-60.83
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL300025553798	0	43	0.0	-59.36	346.46	4.67	-54.69
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC1=NC(=O)O[N-]1	REAL300025553798	1	43	0.0	-59.41	346.90	4.67	-54.74
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553826	1	43	0.0	-62.56	338.87	2.89	-59.67
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025553833	1	43	0.0	-49.98	346.36	4.66	-45.32
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025553833	1	43	0.0	-49.96	346.39	4.68	-45.28
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025553888	1	50	0.0	-62.56	388.09	2.57	-59.99
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025553991	0	50	0.0	-62.08	414.26	0.83	-61.25
O=C(NCC1=NC(=O)O[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025554044	0	44	0.0	-50.25	346.00	1.43	-48.82
O=C(NCC1=NC(=O)O[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025554044	1	44	0.0	-51.24	349.52	1.79	-49.45
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300025554158	1	44	0.0	-47.35	349.42	1.41	-45.94
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300025554290	0	46	0.0	-51.66	355.04	5.12	-46.54
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=[NH+]C=C1	REAL300025554470	1	34	0.0	-65.79	297.09	1.36	-64.43
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025554488	1	41	0.0	-60.18	352.28	2.98	-57.20
C[N@@H+]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025555602	0	40	0.0	-56.26	303.77	3.40	-52.86
C[N@H+]1CC[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025555602	1	40	0.0	-56.65	320.65	3.71	-52.94
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025555662	0	43	0.0	-60.11	358.85	2.16	-57.95
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025555693	0	49	0.0	-49.28	381.29	0.53	-48.75
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555782	0	43	0.0	-63.64	337.74	1.84	-61.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555782	1	43	0.0	-62.84	345.33	2.28	-60.56
CC(C)[N@@H+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025555783	0	49	0.0	-55.01	364.02	2.71	-52.30
CC(C)[N@H+]1CCC(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025555783	1	49	0.0	-60.42	372.49	2.94	-57.48
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300025555791	0	37	0.0	-53.77	310.13	1.74	-52.03
COCCOCC[N@H+](C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555846	0	43	0.0	-54.83	349.49	0.08	-54.75
COCCOCC[N@@H+](C)CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025555846	1	43	0.0	-55.65	349.50	0.08	-55.57
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025555866	0	48	0.0	-60.99	374.96	3.52	-57.47
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025555866	1	48	0.0	-57.04	373.71	3.60	-53.44
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025555895	0	46	0.0	-56.57	391.21	4.66	-51.91
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025555895	1	46	0.0	-61.33	388.60	4.66	-56.67
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025555896	0	49	0.0	-65.44	397.31	5.51	-59.93
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025555896	1	49	0.0	-64.23	397.80	5.75	-58.48
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555897	0	52	0.0	-60.17	404.48	6.52	-53.65
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555897	1	52	0.0	-59.86	405.02	6.49	-53.37
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025555901	0	49	0.0	-63.40	394.78	5.59	-57.81
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025555901	1	49	0.0	-60.41	397.78	5.61	-54.80
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555902	0	49	0.0	-59.40	387.89	6.01	-53.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025555902	1	49	0.0	-59.23	387.78	5.98	-53.25
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025555903	0	53	0.0	-60.29	405.89	6.93	-53.36
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025555903	1	53	0.0	-60.66	404.69	6.98	-53.68
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025555904	0	47	0.0	-58.55	394.07	6.45	-52.10
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025555904	1	47	0.0	-56.20	395.26	6.67	-49.53
CCOC(=O)C1CCC[N@H+](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556038	1	42	0.0	-53.01	333.49	3.00	-50.01
CCOC(=O)C1CCC[N@@H+](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556038	1	42	0.0	-52.20	332.14	2.40	-49.80
O=C(NCC1=NC(=O)O[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300025556040	0	44	0.0	-59.38	333.04	1.75	-57.63
O=C(NCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025556055	0	47	0.0	-57.92	371.11	5.74	-52.18
O=C(NCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025556055	1	47	0.0	-58.16	371.28	5.73	-52.43
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556226	1	44	0.0	-54.88	362.60	1.03	-53.85
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025556226	1	44	0.0	-54.71	362.69	1.05	-53.66
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556227	1	41	0.0	-57.08	339.43	-1.34	-58.42
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556227	1	41	0.0	-58.57	340.76	-1.32	-59.89
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025556228	0	48	0.0	-65.61	383.19	0.63	-64.98
C[NH+](C)CCSC1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025556318	0	39	0.0	-69.38	350.77	2.09	-67.29
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025556393	0	45	0.0	-60.43	370.85	3.31	-57.12
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)CC1	REAL300025556502	1	42	0.0	-61.48	351.12	1.56	-59.92
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556551	0	46	0.0	-61.27	375.38	4.22	-57.05
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556592	0	53	0.0	-61.61	416.25	7.54	-54.07
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556592	1	53	0.0	-60.53	415.98	7.70	-52.83
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556624	0	43	0.0	-58.51	346.02	4.44	-54.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556624	1	43	0.0	-57.07	342.95	4.52	-52.55
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025556652	0	44	0.0	-63.30	363.81	3.94	-59.36
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556667	0	53	0.0	-59.74	425.28	8.17	-51.57
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025556667	1	53	0.0	-60.72	425.42	8.05	-52.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025556699	0	40	0.0	-57.61	326.41	3.04	-54.57
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025556766	0	42	0.0	-52.41	335.29	2.69	-49.72
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025556766	1	42	0.0	-49.25	333.98	2.76	-46.49
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025556961	0	40	0.0	-54.83	324.43	3.84	-50.99
O=C(NCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025556961	1	40	0.0	-54.70	326.33	3.97	-50.73
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025557143	0	44	0.0	-53.04	350.23	4.95	-48.09
O=C(NCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025557143	1	44	0.0	-54.27	351.15	4.93	-49.34
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025557202	1	43	0.0	-52.14	336.95	4.52	-47.62
O=C(NCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025557202	1	43	0.0	-47.38	346.42	4.68	-42.70
C[NH+](C)C1CC(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025557357	0	53	0.0	-58.98	403.48	2.94	-56.04
CC1C[NH+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025559719	1	50	0.0	-78.07	396.53	4.33	-73.74
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560631	0	49	0.0	-73.95	386.65	4.57	-69.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300025560638	0	50	0.0	-77.93	394.89	2.60	-75.33
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025560736	0	43	0.0	-59.68	341.30	4.08	-55.60
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025560736	1	43	0.0	-59.63	341.30	4.07	-55.56
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025560839	0	45	0.0	-68.36	359.58	3.38	-64.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025560839	1	45	0.0	-68.39	359.51	3.38	-65.01
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025560852	1	49	0.0	-58.32	363.49	2.40	-55.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300025560854	0	46	0.0	-62.49	364.75	5.41	-57.08
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300025560854	1	46	0.0	-68.41	371.05	5.21	-63.20
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025560855	0	46	0.0	-74.17	364.65	5.19	-68.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025560856	0	46	0.0	-61.22	358.40	5.34	-55.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025560856	1	46	0.0	-64.55	364.59	5.14	-59.41
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025560889	0	51	0.0	-74.70	389.67	3.80	-70.90
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025560948	0	46	0.0	-62.66	378.92	5.32	-57.34
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025560948	1	46	0.0	-62.69	379.02	5.33	-57.36
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560978	0	42	0.0	-70.04	343.36	3.14	-66.90
CCC[N@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560986	0	48	0.0	-74.58	378.58	5.54	-69.04
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560986	1	48	0.0	-74.55	379.32	5.56	-68.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025561010	0	46	0.0	-74.17	364.65	5.19	-68.98
CC[N@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025561016	0	48	0.0	-71.78	366.64	4.89	-66.89
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025561016	1	48	0.0	-71.85	360.96	4.62	-67.23
CC1=NC(C[NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CS1	REAL300025561037	1	45	0.0	-72.21	371.99	2.95	-69.26
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561176	0	45	0.0	-60.72	342.90	4.46	-56.26
CC[N@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561209	0	42	0.0	-58.56	335.95	4.08	-54.48
CC[N@@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025561209	1	42	0.0	-58.13	336.89	4.07	-54.06
C[NH+]1CCN(C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025561225	1	48	0.0	-63.38	376.92	3.25	-60.13
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561241	1	51	0.0	-84.73	395.59	2.34	-82.39
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025561243	0	52	0.0	-62.99	401.76	6.42	-56.57
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300025561257	1	45	0.0	-64.26	357.21	3.34	-60.92
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300025561257	1	45	0.0	-64.43	347.73	3.22	-61.21
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561310	0	53	0.0	-59.14	407.69	6.78	-52.36
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025561310	1	53	0.0	-57.16	400.51	6.51	-50.65
C[NH+](C)CCN1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025561311	0	43	0.0	-68.04	350.28	1.40	-66.64
CC[N@@H+]1CCCC1CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025561316	0	50	0.0	-68.71	394.35	3.14	-65.57
CC[N@H+]1CCCC1CN1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC1=O	REAL300025561316	1	50	0.0	-66.74	385.05	2.74	-64.00
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561323	0	51	0.0	-71.72	397.80	4.10	-67.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300025561324	1	45	0.0	-61.31	357.06	3.25	-58.06
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300025561324	1	45	0.0	-61.94	347.64	3.19	-58.75
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561325	0	49	0.0	-60.12	383.55	5.78	-54.34
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561325	1	49	0.0	-60.27	374.17	5.63	-54.64
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025561343	1	39	0.0	-61.23	334.89	3.95	-57.28
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025561407	1	43	0.0	-62.96	338.53	4.52	-58.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025561407	1	43	0.0	-63.00	338.54	4.52	-58.48
C[NH+](C)CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=CC=C21	REAL300025561531	0	42	0.0	-55.55	348.82	3.80	-51.75
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025561532	0	48	0.0	-62.86	383.91	5.23	-57.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300025561560	0	39	0.0	-73.76	332.73	2.58	-71.18
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300025561606	0	44	0.0	-63.87	356.50	1.39	-62.48
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025561606	1	44	0.0	-63.17	356.73	1.37	-61.80
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300025561670	0	42	0.0	-63.22	338.46	3.95	-59.27
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300025561670	1	42	0.0	-63.69	338.28	3.93	-59.76
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025561703	1	47	0.0	-77.14	371.06	4.44	-72.70
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCCC1=NC(=O)O[N-]1	REAL300025561703	1	47	0.0	-77.13	371.13	4.44	-72.69
CC1=CC=C(N2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)[NH+]=C1	REAL300025561724	1	45	0.0	-65.90	357.52	3.04	-62.86
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025561728	0	46	0.0	-60.06	362.19	5.10	-54.96
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025561728	1	46	0.0	-60.20	352.70	4.95	-55.25
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCC3=NC(=O)O[N-]3)CC2)=C1	REAL300025561755	0	51	0.0	-70.68	397.71	3.96	-66.72
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561756	0	48	0.0	-70.89	375.79	3.26	-67.63
CC[NH+](CC)CCSCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561757	0	42	0.0	-69.97	346.10	3.25	-66.72
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025561758	0	47	0.0	-70.60	374.03	2.71	-67.89
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025561759	0	48	0.0	-66.69	380.34	2.86	-63.83
O=C(CC1([NH+]2CCOCC2)CCCC1)NCCC1=NC(=O)O[N-]1	REAL300025561771	0	47	0.0	-67.99	336.43	1.62	-66.37
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300025561775	1	44	0.0	-69.82	350.46	3.83	-65.99
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300025561775	1	44	0.0	-69.84	350.54	3.83	-66.01
C[NH+]1CCN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025561787	0	48	0.0	-73.49	379.40	2.68	-70.81
CN1CC[NH+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025561787	1	48	0.0	-76.16	379.74	2.75	-73.41
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025561934	0	46	0.0	-71.30	368.54	5.18	-66.12
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCCC1=NC(=O)O[N-]1	REAL300025561934	1	46	0.0	-71.24	368.32	5.19	-66.05
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+](C2CCCCC2)C1	REAL300025561962	0	46	0.0	-64.57	348.17	3.82	-60.75
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+](C2CCCCC2)C1	REAL300025561962	1	46	0.0	-63.65	349.03	3.90	-59.75
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025561968	1	46	0.0	-73.03	365.29	3.52	-69.51
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025561978	1	46	0.0	-64.01	368.55	5.16	-58.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025561978	1	46	0.0	-63.96	368.59	5.18	-58.78
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562049	1	53	0.0	-75.30	410.28	3.04	-72.26
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025562229	0	47	0.0	-62.05	368.16	1.93	-60.12
O=C(NCCC1=NC(=O)O[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025562229	1	47	0.0	-62.19	371.71	2.28	-59.91
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300025562363	1	47	0.0	-60.94	371.49	1.88	-59.06
O=C(NCCC1=NC(=O)O[N-]1)C(F)C[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300025563565	1	52	0.0	-68.71	404.29	6.88	-61.83
C[NH+](C)CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025563684	0	42	0.0	-77.38	344.14	4.28	-73.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300025563763	1	34	0.0	-72.85	302.80	1.39	-71.46
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025563780	1	44	0.0	-73.97	356.45	3.88	-70.09
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025563780	1	44	0.0	-73.84	356.66	3.85	-69.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025563830	0	44	0.0	-74.39	342.90	3.53	-70.86
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025563837	0	43	0.0	-66.21	348.51	4.40	-61.81
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025563837	1	43	0.0	-66.26	348.16	4.41	-61.85
C[N@@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025563942	0	43	0.0	-76.12	347.64	4.22	-71.90
C[N@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C2=CC=CC=C2)C1	REAL300025563942	1	43	0.0	-70.45	346.25	4.33	-66.12
CC(C)[NH+]1CCN(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563943	0	47	0.0	-66.43	358.85	1.13	-65.30
CC(C)N1CC[NH+](CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563943	1	47	0.0	-66.40	355.17	0.93	-65.47
CC(C)[NH+]1CCN(CCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563946	0	50	0.0	-65.13	380.35	1.94	-63.19
CC(C)N1CC[NH+](CCCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025563946	1	50	0.0	-67.54	376.67	1.72	-65.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025563978	0	46	0.0	-68.09	363.22	5.29	-62.80
C[N@@H+]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025564126	0	43	0.0	-66.35	323.36	3.60	-62.75
C[N@H+]1CC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H]1C1=CC=CC=C1	REAL300025564126	1	43	0.0	-70.22	341.50	4.22	-66.00
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300025564127	0	39	0.0	-63.04	319.47	0.48	-62.56
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025564173	1	39	0.0	-63.21	334.96	3.96	-59.25
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025564202	0	46	0.0	-67.92	381.03	2.65	-65.27
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564247	0	52	0.0	-67.00	403.47	1.02	-65.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564357	0	46	0.0	-72.21	351.42	2.10	-70.11
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564357	1	46	0.0	-77.29	359.89	2.33	-74.96
CC(C)[N@@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025564358	0	52	0.0	-68.16	386.13	3.22	-64.94
CC(C)[N@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025564358	1	52	0.0	-74.57	394.69	3.44	-71.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300025564366	0	40	0.0	-68.38	332.34	2.24	-66.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564430	0	42	0.0	-65.99	342.64	4.39	-61.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564430	1	42	0.0	-66.01	342.64	4.39	-61.62
COCCOCC[N@H+](C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564431	0	46	0.0	-66.44	371.67	0.57	-65.87
COCCOCC[N@@H+](C)CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025564431	1	46	0.0	-67.59	371.69	0.57	-67.02
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025564452	0	51	0.0	-71.06	397.04	4.01	-67.05
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300025564452	1	51	0.0	-66.21	395.89	4.08	-62.13
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025564490	0	49	0.0	-70.94	412.17	5.08	-65.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025564490	1	49	0.0	-76.00	411.87	5.14	-70.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025564491	0	52	0.0	-79.65	421.47	6.10	-73.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025564491	1	52	0.0	-78.44	420.20	6.21	-72.23
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564492	0	55	0.0	-72.26	426.79	7.09	-65.17
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564492	1	55	0.0	-73.62	427.27	6.97	-66.65
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025564496	0	52	0.0	-81.57	420.63	6.01	-75.56
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025564496	1	52	0.0	-76.51	420.07	6.11	-70.40
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564497	0	52	0.0	-71.55	409.82	6.56	-64.99
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025564497	1	52	0.0	-72.67	410.37	6.46	-66.21
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025564498	0	56	0.0	-74.03	430.83	7.49	-66.54
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025564498	1	56	0.0	-73.18	431.27	7.55	-65.63
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025564499	0	50	0.0	-71.15	417.66	7.04	-64.11
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025564499	1	50	0.0	-69.45	417.59	7.17	-62.28
CCOC(=O)C1CCC[N@H+](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564660	1	45	0.0	-64.05	361.83	3.35	-60.70
CCOC(=O)C1CCC[N@@H+](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564660	1	45	0.0	-64.03	361.80	3.35	-60.68
O=C(NCCC1=NC(=O)O[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300025564662	0	47	0.0	-72.70	355.20	2.24	-70.46
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025564680	0	50	0.0	-67.32	393.29	6.22	-61.10
O=C(NCCC1=NC(=O)O[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300025564680	1	50	0.0	-67.53	393.46	6.21	-61.32
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564895	1	47	0.0	-57.60	384.71	1.53	-56.07
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025564895	1	47	0.0	-57.62	384.90	1.54	-56.08
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564896	1	44	0.0	-58.03	362.30	-0.82	-58.85
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564896	1	44	0.0	-61.76	362.73	-0.83	-62.59
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564897	0	51	0.0	-67.41	405.37	1.13	-66.28
C[NH+]1CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)C1	REAL300025564898	1	41	0.0	-67.47	332.12	0.67	-66.80
C[NH+](C)CCSC1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025564999	0	42	0.0	-78.03	372.95	2.58	-75.45
C[NH+](C)C1(C(=O)NCCC2=NC(=O)O[N-]2)COC2=CC=CC=C2C1	REAL300025565002	1	44	0.0	-76.50	338.05	4.35	-72.15
C[NH+](C)CCC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025565083	0	42	0.0	-70.68	344.15	4.28	-66.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300025565101	0	40	0.0	-71.72	333.44	2.89	-68.83
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025565102	0	48	0.0	-72.79	393.02	3.80	-68.99
C[N@@H+]1CC(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)C1	REAL300025565103	0	36	0.0	-73.15	307.45	1.69	-71.46
C[N@H+]1CC(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)C1	REAL300025565103	1	36	0.0	-70.05	300.25	1.67	-68.38
C[NH+]1CCN(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)CC1	REAL300025565218	1	45	0.0	-72.12	373.29	2.06	-70.06
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565276	0	49	0.0	-71.84	397.56	4.71	-67.13
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565366	0	46	0.0	-72.22	368.20	4.92	-67.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565366	1	46	0.0	-71.22	369.26	5.03	-66.19
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025565394	0	47	0.0	-75.07	385.99	4.43	-70.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025565449	0	43	0.0	-71.75	348.59	3.54	-68.21
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025565530	0	45	0.0	-68.58	357.38	3.12	-65.46
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)[C@@H](C(F)(F)F)C1	REAL300025565530	1	45	0.0	-63.42	356.15	3.26	-60.16
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300025565766	0	43	0.0	-66.21	348.51	4.40	-61.81
O=C(NCCC1=NC(=O)O[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300025565766	1	43	0.0	-66.26	348.16	4.41	-61.85
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025565972	0	47	0.0	-70.23	373.02	5.46	-64.77
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025565972	1	47	0.0	-70.80	373.29	5.42	-65.38
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025566041	1	46	0.0	-61.20	359.11	5.02	-56.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025566041	1	46	0.0	-60.38	368.59	5.18	-55.20
C[NH+](C)C1CC(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566208	0	56	0.0	-66.40	425.66	3.43	-62.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300025566484	0	37	0.0	-78.24	303.39	-0.33	-78.57
O=C1N=C(CCNS(=O)(=O)CC23CC[N@H+](C2)CCC3)[N-]O1	REAL300025568518	0	41	0.0	-59.66	318.73	0.00	-59.66
O=C1N=C(CCNS(=O)(=O)CC23CC[N@@H+](C2)CCC3)[N-]O1	REAL300025568518	1	41	0.0	-65.16	318.70	0.05	-65.11
O=C1N=C(CNS(=O)(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)[N-]O1	REAL300025569235	0	41	0.0	-68.91	345.69	1.94	-66.97
CC1C[NH+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CC(C)O1	REAL300025571436	1	47	0.0	-65.25	374.36	3.84	-61.41
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025572002	0	43	0.0	-59.60	342.43	4.69	-54.91
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300025572096	0	40	0.0	-46.39	319.16	3.58	-42.81
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300025572096	1	40	0.0	-48.16	324.93	4.10	-44.06
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025572110	0	43	0.0	-54.40	342.47	4.65	-49.75
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025572110	1	43	0.0	-54.41	342.42	4.65	-49.76
CC(C)C(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025572212	1	46	0.0	-47.37	346.86	2.41	-44.96
CC[NH+](CC)C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025572275	0	42	0.0	-46.57	320.02	3.81	-42.76
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572287	0	45	0.0	-61.31	356.41	5.05	-56.26
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025572287	1	45	0.0	-61.81	356.87	5.07	-56.74
O=C(NCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025572306	0	43	0.0	-59.60	342.43	4.69	-54.91
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025572308	0	45	0.0	-59.04	348.02	4.56	-54.48
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025572308	1	45	0.0	-59.14	338.82	4.13	-55.01
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025572380	0	42	0.0	-58.08	337.32	2.80	-55.28
O=C(NCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025572380	1	42	0.0	-54.86	331.03	3.00	-51.86
C[NH+]1CCN(C(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025572476	1	45	0.0	-56.02	354.74	2.76	-53.26
CC(C(=O)NCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025572496	0	49	0.0	-48.87	379.55	5.94	-42.93
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572515	0	50	0.0	-54.92	385.51	6.30	-48.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025572515	1	50	0.0	-53.44	378.33	6.02	-47.42
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CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574656	1	52	0.0	-59.86	405.02	6.49	-53.37
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O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025574660	1	49	0.0	-60.41	397.78	5.61	-54.80
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574661	0	49	0.0	-59.40	387.89	6.01	-53.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025574661	1	49	0.0	-59.23	387.78	5.98	-53.25
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CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025575133	1	53	0.0	-60.72	425.42	8.05	-52.67
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C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025576337	0	40	0.0	-61.91	329.26	2.75	-59.16
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CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025576481	1	44	0.0	-64.59	346.89	3.12	-61.47
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O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300025578321	0	46	0.0	-61.22	358.40	5.34	-55.88
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300025578321	1	46	0.0	-64.55	364.59	5.14	-59.41
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025578409	0	42	0.0	-70.04	343.36	3.14	-66.90
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CC(C)OC(C)C1	REAL300025578439	1	49	0.0	-58.32	363.49	2.40	-55.92
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578508	0	45	0.0	-60.72	342.90	4.46	-56.26
CCC[N@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578522	0	48	0.0	-74.58	378.58	5.54	-69.04
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025578522	1	48	0.0	-74.55	379.32	5.56	-68.99
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300025578542	0	46	0.0	-74.17	364.65	5.19	-68.98
CC[N@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025578548	0	48	0.0	-71.78	366.64	4.89	-66.89
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C(C)C	REAL300025578548	1	48	0.0	-71.85	360.96	4.62	-67.23
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300025578624	0	45	0.0	-68.36	359.58	3.38	-64.98
O=C(NCCC1=NC(=O)O[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300025578624	1	45	0.0	-68.39	359.51	3.38	-65.01
C[NH+]1CCN(C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2)CC1	REAL300025578736	1	48	0.0	-63.38	376.92	3.25	-60.13
CC[N@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578738	0	42	0.0	-58.56	335.95	4.08	-54.48
CC[N@@H+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025578738	1	42	0.0	-58.13	336.89	4.07	-54.06
CC(C(=O)NCCC1=NC(=O)O[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300025578759	0	52	0.0	-62.99	401.76	6.42	-56.57
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578782	0	53	0.0	-59.14	407.69	6.78	-52.36
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578782	1	53	0.0	-57.16	400.51	6.51	-50.65
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025578784	0	42	0.0	-64.43	337.03	4.59	-59.84
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CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578789	0	49	0.0	-60.12	383.55	5.78	-54.34
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025578789	1	49	0.0	-60.27	374.17	5.63	-54.64
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025578832	1	39	0.0	-61.23	334.89	3.95	-57.28
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300025578852	1	43	0.0	-62.96	338.53	4.52	-58.44
CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300025578852	1	43	0.0	-63.00	338.54	4.52	-58.48
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CC(C(=O)NCCC1=NC(=O)O[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300025579063	1	42	0.0	-63.69	338.28	3.93	-59.76
CC(C)C([NH2+]C1CCOCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025579082	0	46	0.0	-63.46	346.58	1.00	-62.46
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O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300025579144	0	46	0.0	-60.06	362.19	5.10	-54.96
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300025579144	1	46	0.0	-60.20	352.70	4.95	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300025579297	1	46	0.0	-64.01	368.55	5.16	-58.85
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300025579297	1	46	0.0	-63.96	368.59	5.18	-58.78
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025579390	1	46	0.0	-73.03	365.29	3.52	-69.51
CC[NH+](CC)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300025579652	0	48	0.0	-62.86	383.91	5.23	-57.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=[NH+]C=C1	REAL300025579971	1	37	0.0	-73.69	317.67	1.80	-71.89
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025580002	1	44	0.0	-68.27	374.46	3.47	-64.80
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300025580033	0	49	0.0	-61.74	376.95	5.54	-56.20
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580048	0	49	0.0	-73.07	398.36	7.03	-66.04
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025580048	1	49	0.0	-72.28	398.37	7.04	-65.24
C[NH+](C)CCN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025580068	0	49	0.0	-74.07	396.78	4.71	-69.36
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1C1CCCC1	REAL300025580118	0	46	0.0	-56.92	340.38	3.72	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1C1CCCC1	REAL300025580118	1	46	0.0	-56.97	341.04	3.77	-53.20
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300025580376	1	34	0.0	-77.59	303.20	1.40	-76.19
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580411	0	53	0.0	-68.97	417.26	7.06	-61.91
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025580411	1	53	0.0	-68.16	416.63	7.01	-61.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300025580452	0	43	0.0	-75.00	346.46	4.59	-70.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300025580464	0	46	0.0	-75.26	362.91	5.25	-70.01
CC[NH+](CC)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580492	0	45	0.0	-73.69	351.48	4.47	-69.22
CCN1CCC([NH+]2CCC(C(=O)NCCC3=NC(=O)O[N-]3)CC2)CC1	REAL300025580610	0	54	0.0	-70.19	397.26	2.77	-67.42
C[NH+](C)CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025580743	0	42	0.0	-77.38	344.14	4.28	-73.10
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025580769	1	44	0.0	-73.97	356.45	3.88	-70.09
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C1N2	REAL300025580769	1	44	0.0	-73.84	356.66	3.85	-69.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300025580789	1	34	0.0	-72.85	302.80	1.39	-71.46
O=C(NCCC1=NC(=O)O[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300025580805	0	44	0.0	-74.39	342.90	3.53	-70.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300025580939	0	46	0.0	-68.09	363.22	5.29	-62.80
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025581055	0	46	0.0	-71.72	363.82	5.14	-66.58
C[N@H+]1CCCC(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C1	REAL300025581055	1	46	0.0	-71.75	363.81	5.13	-66.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300025581059	0	39	0.0	-63.04	319.47	0.48	-62.56
C[NH+](C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1	REAL300025581087	1	39	0.0	-63.21	334.96	3.96	-59.25
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025581109	0	46	0.0	-67.92	381.03	2.65	-65.27
COC1=CC=C(C([NH2+]C(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581114	0	46	0.0	-62.03	370.00	2.04	-59.99
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581151	0	52	0.0	-67.00	403.47	1.02	-65.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581245	0	46	0.0	-72.21	351.42	2.10	-70.11
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581245	1	46	0.0	-77.29	359.89	2.33	-74.96
CC(C)[N@@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025581246	0	52	0.0	-68.16	386.13	3.22	-64.94
CC(C)[N@H+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CN(C)N=C2)C1	REAL300025581246	1	52	0.0	-74.57	394.69	3.44	-71.13
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581296	0	42	0.0	-65.99	342.64	4.39	-61.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025581296	1	42	0.0	-66.01	342.64	4.39	-61.62
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025581353	0	49	0.0	-70.94	412.17	5.08	-65.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1	REAL300025581353	1	49	0.0	-76.00	411.87	5.14	-70.86
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025581354	0	52	0.0	-79.65	421.47	6.10	-73.55
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1	REAL300025581354	1	52	0.0	-78.44	420.20	6.21	-72.23
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581355	0	55	0.0	-72.26	426.79	7.09	-65.17
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581355	1	55	0.0	-73.62	427.27	6.97	-66.65
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025581359	0	52	0.0	-81.57	420.63	6.01	-75.56
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1	REAL300025581359	1	52	0.0	-76.51	420.07	6.11	-70.40
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581360	0	52	0.0	-71.55	409.82	6.56	-64.99
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581360	1	52	0.0	-72.67	410.37	6.46	-66.21
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025581361	0	56	0.0	-74.03	430.83	7.49	-66.54
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1	REAL300025581361	1	56	0.0	-73.18	431.27	7.55	-65.63
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025581362	0	50	0.0	-71.15	417.66	7.04	-64.11
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1	REAL300025581362	1	50	0.0	-69.45	417.59	7.17	-62.28
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025581890	0	49	0.0	-71.84	397.56	4.71	-67.13
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581952	0	46	0.0	-72.22	368.20	4.92	-67.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025581952	1	46	0.0	-71.22	369.26	5.03	-66.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300025582024	0	43	0.0	-71.75	348.59	3.54	-68.21
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300025582450	0	47	0.0	-70.23	373.02	5.46	-64.77
O=C(NCCC1=NC(=O)O[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300025582450	1	47	0.0	-70.80	373.29	5.42	-65.38
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300025582496	1	46	0.0	-61.20	359.11	5.02	-56.18
O=C(NCCC1=NC(=O)O[N-]1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300025582496	1	46	0.0	-60.38	368.59	5.18	-55.20
C[NH+](C)CCOC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583283	0	43	0.0	-75.31	351.45	3.24	-72.07
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025583430	0	49	0.0	-64.94	383.21	5.89	-59.05
CC1C[N@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025583431	1	47	0.0	-77.48	369.01	3.61	-73.87
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)CCO1	REAL300025583431	1	47	0.0	-77.66	369.07	3.61	-74.05
C[NH+](C)C1CC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025583454	0	49	0.0	-69.83	371.89	4.62	-65.21
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025583560	0	56	0.0	-78.78	431.83	1.98	-76.80