CC[NH+](CC)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038055	0	43	0.0	-70.63	318.21	4.81	-65.82
CC(C)[N@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038060	0	43	0.0	-69.83	321.00	4.93	-64.90
CC(C)[N@@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038060	1	43	0.0	-69.38	321.03	4.95	-64.43
CC(C)(C)[NH2+]CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038069	0	43	0.0	-71.05	325.53	3.46	-67.59
C[NH+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038093	0	37	0.0	-72.95	286.63	3.75	-69.20
C[NH+](C)CCCCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038099	0	46	0.0	-75.37	351.99	5.93	-69.44
CC(C)C(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038101	0	46	0.0	-67.95	329.85	5.22	-62.73
CCC[N@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038106	0	43	0.0	-72.29	325.81	5.15	-67.14
CCC[N@@H+](C)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038106	1	43	0.0	-72.20	325.84	5.17	-67.03
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038121	0	44	0.0	-68.84	327.00	5.32	-63.52
C[N@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038121	1	44	0.0	-73.37	319.29	4.98	-68.39
C[N@@H+]1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038134	0	41	0.0	-67.95	304.98	4.30	-63.65
C[N@H+]1CCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038134	1	41	0.0	-68.66	309.32	4.59	-64.07
C[NH+]1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038151	0	44	0.0	-75.17	330.59	5.30	-69.87
C[N@@H+]1CCOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038157	1	42	0.0	-77.36	312.67	3.82	-73.54
C[N@H+]1CCOC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038157	1	42	0.0	-77.41	312.71	3.84	-73.57
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038172	0	44	0.0	-69.68	326.38	5.30	-64.38
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038172	1	44	0.0	-68.43	315.94	4.78	-63.65
C[NH+](C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CCC1	REAL250005038207	0	44	0.0	-69.31	311.45	4.60	-64.71
CC(C)[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038218	0	46	0.0	-68.88	328.82	5.39	-63.49
O=C(C[NH+]1CCCC1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038257	0	41	0.0	-71.27	310.77	4.86	-66.41
CC[N@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038264	0	44	0.0	-68.43	335.21	5.78	-62.65
CC[N@@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CC1	REAL250005038264	1	44	0.0	-70.11	328.05	5.30	-64.81
CCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038273	0	43	0.0	-71.59	316.04	4.77	-66.82
CCCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038276	0	46	0.0	-72.36	337.61	5.55	-66.81
C=C(C[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038346	0	41	0.0	-76.91	308.02	4.52	-72.39
CC1=[NH+]C=CN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038464	1	39	0.0	-69.30	316.01	5.35	-63.95
C[NH+](C)C1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038466	0	41	0.0	-69.80	305.59	4.19	-65.61
C[N@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038552	0	44	0.0	-70.36	332.73	5.71	-64.65
C[N@@H+](CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)C1CCC1	REAL250005038552	1	44	0.0	-69.89	332.85	5.73	-64.16
C[C@@H]1[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC[N@@H+]1C	REAL250005038595	0	44	0.0	-75.06	322.71	5.00	-70.06
C[C@@H]1[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC[N@H+]1C	REAL250005038595	1	44	0.0	-75.77	328.64	4.96	-70.81
C[NH+](C)CC1(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038632	0	44	0.0	-66.67	334.33	5.28	-61.39
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038642	0	41	0.0	-67.94	308.41	4.51	-63.43
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038642	1	41	0.0	-71.68	305.06	4.27	-67.41
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038643	0	41	0.0	-69.46	305.72	4.27	-65.19
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038643	1	41	0.0	-69.42	308.38	4.57	-64.85
C[C@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038644	0	40	0.0	-68.82	302.75	4.07	-64.75
O=C(N1CCC(C2=CC(=O)[N-]O2)CC1)C12CC[NH+](CC1)C2	REAL250005038646	0	42	0.0	-74.35	310.81	4.01	-70.34
CC1=C[NH+]=CN1CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038653	1	39	0.0	-70.50	316.37	6.09	-64.41
C[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038666	0	40	0.0	-70.63	303.33	4.15	-66.48
C=C(CC[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038672	0	44	0.0	-79.72	328.94	4.86	-74.86
C[NH+]1CCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)CC1	REAL250005038683	0	44	0.0	-75.17	330.59	5.30	-69.87
CC[C@@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038686	0	43	0.0	-68.64	310.96	4.56	-64.08
CC[C@H](C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038687	0	43	0.0	-71.54	316.07	4.78	-66.76
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038712	0	44	0.0	-68.84	327.00	5.32	-63.52
C[N@H+]1CCCCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038712	1	44	0.0	-73.37	319.29	4.98	-68.39
CC[N@@H+]1CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038733	0	41	0.0	-70.37	308.35	4.28	-66.09
CC[N@H+]1CCC1C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038733	1	41	0.0	-68.84	309.61	4.38	-64.46
CC(CC[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038735	0	46	0.0	-73.02	345.94	5.48	-67.54
CC(C)(C)[NH2+]CCC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038767	0	46	0.0	-76.22	347.09	4.08	-72.14
C[NH+](C)CC(O)CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038776	0	44	0.0	-77.79	339.20	2.81	-74.98
CC(C[NH+](C)C)C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038777	0	43	0.0	-72.77	324.29	4.85	-67.92
C[NH+](C)CC=CC(=O)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005038778	0	41	0.0	-76.97	321.51	4.97	-72.00
C=CCC(C(=O)N1CCC(C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005038800	0	44	0.0	-71.52	330.10	5.30	-66.22
C[N@@H+]1CCCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038803	0	44	0.0	-74.13	330.76	5.28	-68.85
C[N@H+]1CCCC(C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038803	1	44	0.0	-74.54	330.81	5.28	-69.26
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3=CC(=O)[N-]O3)CC2)C1	REAL250005038996	0	44	0.0	-75.19	335.71	5.47	-69.72
CC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(C)=[NH+]1	REAL250005039024	0	38	0.0	-64.63	302.90	4.54	-60.09
CCC1=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=NC(C)=[NH+]1	REAL250005039044	0	41	0.0	-63.52	324.34	5.27	-58.25
CC1=[NH+]C=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039047	1	35	0.0	-68.87	281.36	3.98	-64.89
CC1=[NH+]C(N2CCC(C3=CC(=O)[N-]O3)CC2)=C2C=CNC2=N1	REAL250005039049	0	39	0.0	-61.01	304.76	4.42	-56.59
CC1=[NH+]C(C)=C(C)C(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039052	0	41	0.0	-63.76	322.10	5.42	-58.34
CCC1=[NH+]C(C)=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039086	0	41	0.0	-64.24	323.43	5.27	-58.97
CC1=C[NH+]=C(C)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039100	1	38	0.0	-67.96	305.33	4.81	-63.15
CN(C)C1=[NH+]C=CC(N2CCC(C3=CC(=O)[N-]O3)CC2)=N1	REAL250005039157	0	40	0.0	-66.09	313.38	6.45	-59.64
O=C1C=C(C2CCN(C3=CC=[NH+]C4=CC=CC=C43)CC2)O[N-]1	REAL250005039158	0	39	0.0	-67.79	311.54	5.77	-62.02
CC1=C[NH+]=C(C)N=C1N1CCC(C2=CC(=O)[N-]O2)CC1	REAL250005039165	1	38	0.0	-67.96	305.33	4.81	-63.15
C[NH+](C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039230	0	41	0.0	-70.86	336.08	0.45	-70.41
C[NH+](C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005039311	0	41	0.0	-69.14	336.10	0.46	-68.68
CC(NC(=O)C[NH+](C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039411	0	40	0.0	-71.18	319.06	0.08	-71.10
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039416	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039429	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C[NH+]1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039437	1	41	0.0	-71.06	329.15	0.49	-70.57
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)[NH+](C)C	REAL250005039442	0	43	0.0	-68.89	344.89	0.87	-68.02
CC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039454	0	43	0.0	-70.49	336.79	0.75	-69.74
CC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039454	1	43	0.0	-70.26	344.49	1.11	-69.15
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039607	0	43	0.0	-68.56	344.86	0.85	-67.71
CC[N@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039626	0	43	0.0	-70.49	336.79	0.75	-69.74
CC[N@@H+](C)CC(=O)NC(C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039626	1	43	0.0	-70.26	344.49	1.11	-69.15
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@@H](C)[NH+](C)C	REAL250005039639	0	43	0.0	-68.89	344.89	0.87	-68.02
CC(NC(=O)C[NH+](C)C)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039690	0	40	0.0	-71.18	319.06	0.08	-71.10
CC(NC(=O)C1=CC(=O)[N-]O1)C(C)NC(=O)[C@H](C)[NH+](C)C	REAL250005039693	0	43	0.0	-68.56	344.86	0.85	-67.71
CC(NC(=O)C[NH+]1CCC1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005039700	1	41	0.0	-71.06	329.15	0.49	-70.57
CC(CNC(=O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039850	0	40	0.0	-59.56	318.99	1.27	-58.29
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039855	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039868	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)C[NH+]1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039876	1	41	0.0	-57.68	329.04	1.70	-55.98
CC(CNC(=O)[C@@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039881	0	43	0.0	-57.46	337.23	1.65	-55.81
CC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039893	0	43	0.0	-57.31	336.67	1.95	-55.36
CC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005039893	1	43	0.0	-57.31	336.67	1.95	-55.36
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005040046	0	43	0.0	-58.08	337.16	1.70	-56.38
CC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040065	0	43	0.0	-61.09	339.37	1.99	-59.10
CC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005040065	1	43	0.0	-61.08	339.37	1.98	-59.10
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)[NH+](C)C	REAL250005040078	0	43	0.0	-62.31	337.90	1.72	-60.59
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+](C)C	REAL250005040129	0	40	0.0	-62.42	321.63	1.34	-61.08
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005040132	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC1	REAL250005040139	1	41	0.0	-62.52	331.71	1.76	-60.76
CC(NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005040271	0	41	0.0	-71.17	334.50	1.23	-69.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005040352	0	41	0.0	-73.62	337.48	1.47	-72.15
C[NH+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040564	0	41	0.0	-70.84	336.03	0.45	-70.39
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005040645	0	41	0.0	-69.12	336.10	0.46	-68.66
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005040678	0	43	0.0	-68.88	351.24	0.92	-67.96
CC(CCCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040753	0	43	0.0	-67.03	351.24	0.92	-66.11
CC(CN(C)C(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040951	0	40	0.0	-63.36	322.75	1.62	-61.74
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040956	0	43	0.0	-55.43	333.99	2.01	-53.42
CC(CN(C)C(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040969	0	43	0.0	-55.43	333.99	2.01	-53.42
CC(CN(C)C(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005040977	1	41	0.0	-62.14	331.57	2.05	-60.09
CC(CN(C)C(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040982	0	43	0.0	-59.23	337.77	2.02	-57.21
CC[N@H+](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040994	0	43	0.0	-61.98	339.20	2.31	-59.67
CC[N@@H+](C)CC(=O)N(C)CC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005040994	1	43	0.0	-61.82	339.21	2.30	-59.52
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005041147	0	43	0.0	-67.98	336.53	1.98	-66.00
CC[N@H+](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041166	0	43	0.0	-67.24	336.67	2.22	-65.02
CC[N@@H+](C)CC(=O)NC(C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005041166	1	43	0.0	-52.55	335.60	2.32	-50.23
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005041179	0	43	0.0	-54.42	335.99	2.08	-52.34
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005041230	0	40	0.0	-53.09	318.65	1.64	-51.45
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005041233	0	43	0.0	-67.98	336.53	1.98	-66.00
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005041240	1	41	0.0	-67.77	329.05	1.96	-65.81
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005041289	0	41	0.0	-70.90	328.79	1.43	-69.47
CC1C(NC(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005041367	0	41	0.0	-70.99	322.06	1.73	-69.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+](C)C	REAL250005041402	0	41	0.0	-62.23	329.00	1.42	-60.81
CC1CC(NC(=O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005041480	0	41	0.0	-72.92	325.95	1.35	-71.57
CN(C(=O)C[NH+](C)C)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005041813	0	41	0.0	-71.25	327.64	1.39	-69.86
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)C[NH+](C)C)C1	REAL250005041894	0	41	0.0	-74.45	325.41	1.32	-73.13
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005042017	0	43	0.0	-65.44	349.18	1.17	-64.27
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005042092	0	43	0.0	-65.44	349.18	1.17	-64.27
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C[NH+](C)C	REAL250005042163	0	43	0.0	-59.27	330.85	2.44	-56.83
CCN(C(=O)C[NH+](C)C)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005042233	0	43	0.0	-63.05	334.15	2.55	-60.50
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL250005042380	0	39	0.0	-72.11	319.14	-2.74	-74.85
C[NH+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042455	0	39	0.0	-77.34	322.21	-2.64	-79.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+](C)C	REAL250005042513	0	41	0.0	-71.80	328.61	1.20	-70.60
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042594	0	41	0.0	-62.88	332.45	1.38	-61.50
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005042660	0	41	0.0	-62.88	332.45	1.38	-61.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+](C)C	REAL250005042741	0	41	0.0	-71.80	328.61	1.20	-70.60
C[NH+](C)CC(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL250005042774	0	39	0.0	-65.05	319.14	-2.47	-67.52
C[NH+](C)CC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL250005042849	0	39	0.0	-76.49	321.16	-2.36	-78.85
C[NH+](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005042924	0	41	0.0	-71.32	336.18	0.42	-70.90
C[NH+](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043005	0	41	0.0	-70.82	336.17	0.40	-70.42
C[NH+](C)CC(=O)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043042	0	41	0.0	-69.12	336.10	0.46	-68.66
C[NH+](C)CC(=O)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043123	0	41	0.0	-70.84	336.03	0.45	-70.39
C[NH+](C)CC(=O)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043303	0	41	0.0	-69.14	336.10	0.46	-68.68
C[NH+](C)CC(=O)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005043384	0	41	0.0	-70.86	336.08	0.45	-70.41
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043657	0	38	0.0	-73.56	297.82	1.81	-71.75
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043662	0	41	0.0	-66.09	313.98	2.21	-63.88
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043675	0	41	0.0	-66.09	313.98	2.21	-63.88
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043683	1	39	0.0	-68.60	307.84	2.15	-66.45
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043688	0	41	0.0	-65.64	313.31	2.03	-63.61
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043700	0	41	0.0	-68.27	315.25	2.36	-65.91
CC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043700	1	41	0.0	-68.27	315.25	2.36	-65.91
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043864	0	41	0.0	-66.09	313.98	2.21	-63.88
CC[N@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043883	0	41	0.0	-68.27	315.25	2.36	-65.91
CC[N@@H+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043883	1	41	0.0	-68.27	315.25	2.36	-65.91
C[C@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043896	0	41	0.0	-65.64	313.31	2.03	-63.61
C[NH+](C)CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043952	0	38	0.0	-73.56	297.82	1.81	-71.75
C[C@@H](C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[NH+](C)C	REAL250005043955	0	41	0.0	-66.09	313.98	2.21	-63.88
O=C(C[NH+]1CCC1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005043962	1	39	0.0	-68.60	307.84	2.15	-66.45
C[N@@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044150	0	38	0.0	-68.69	308.44	-1.09	-69.78
C[N@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044150	1	38	0.0	-68.70	308.51	-1.08	-69.78
C[N@@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044174	1	39	0.0	-79.59	325.85	-1.19	-80.78
C[N@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044174	1	39	0.0	-79.64	325.85	-1.19	-80.83
CC1=[NH+]C=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044313	1	36	0.0	-66.54	317.92	-0.03	-66.57
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005044331	0	41	0.0	-73.18	325.08	-0.67	-73.85
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005044331	1	41	0.0	-70.49	330.56	-0.15	-70.64
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005044351	0	41	0.0	-71.74	322.67	-0.48	-72.22
CC(C)[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044353	0	43	0.0	-67.56	334.73	0.87	-66.69
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044362	0	41	0.0	-67.63	334.70	0.34	-67.29
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005044362	1	41	0.0	-67.94	334.60	0.33	-67.61
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044386	0	41	0.0	-73.93	333.07	0.02	-73.91
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044392	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044392	1	41	0.0	-67.54	321.14	-0.21	-67.75
CC1=C[NH+]=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044409	1	36	0.0	-69.24	318.25	0.70	-68.54
C[N@@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044419	0	41	0.0	-72.97	335.02	-0.06	-73.03
C[N@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044419	1	41	0.0	-71.90	334.65	-0.03	-71.93
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044422	0	40	0.0	-66.77	319.14	-0.64	-67.41
C[NH+](C)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044436	0	43	0.0	-72.75	353.85	0.49	-72.26
CC(C)C(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044439	0	43	0.0	-67.94	337.54	0.62	-67.32
CCC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044440	0	43	0.0	-72.22	350.08	0.31	-71.91
CCC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044440	1	43	0.0	-72.18	350.08	0.32	-71.86
CCC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044441	0	40	0.0	-69.82	327.71	-0.23	-70.05
CCC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044441	1	40	0.0	-69.86	327.71	-0.23	-70.09
C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044456	0	38	0.0	-68.68	308.48	-1.09	-69.77
C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044456	1	38	0.0	-66.67	314.77	-0.57	-67.24
CC[NH+](CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044468	0	40	0.0	-68.05	320.07	-0.56	-68.61
C[NH+](C)CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044522	0	41	0.0	-70.58	340.12	0.13	-70.45
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044543	0	41	0.0	-73.93	333.07	0.02	-73.91
CC(C)[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044558	0	43	0.0	-67.99	337.54	0.62	-67.37
CC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044585	0	40	0.0	-71.46	328.58	-0.43	-71.89
CC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044585	1	40	0.0	-71.48	328.58	-0.43	-71.91
CC1CCC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044595	0	41	0.0	-66.37	327.19	-0.25	-66.62
CC1CCC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044595	1	41	0.0	-67.07	333.65	0.12	-66.95
CC1CC[N@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044596	0	41	0.0	-69.13	334.36	0.12	-69.01
CC1CC[N@@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044596	1	41	0.0	-69.16	333.87	0.10	-69.06
CC[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044598	0	40	0.0	-66.74	319.14	-0.65	-67.39
C[NH+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044633	0	34	0.0	-70.26	288.49	-1.64	-71.90
CN1C=C[N+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005044634	0	36	0.0	-67.67	319.72	1.86	-65.81
C[N@@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044637	0	41	0.0	-70.56	333.08	-0.01	-70.57
C[N@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044637	1	41	0.0	-64.08	326.79	0.18	-63.90
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005044644	1	38	0.0	-67.92	318.49	-0.72	-68.64
C[NH+](C)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044647	0	43	0.0	-66.17	336.01	0.06	-66.11
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044654	0	38	0.0	-66.89	317.75	-0.24	-67.13
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044654	1	38	0.0	-67.44	317.89	-0.23	-67.67
C[NH+]1CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044665	0	38	0.0	-71.07	319.93	-0.82	-71.89
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044677	0	37	0.0	-68.11	306.39	-1.23	-69.34
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044713	0	37	0.0	-68.11	306.39	-1.23	-69.34
C[N@@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044715	0	41	0.0	-67.52	321.12	-0.21	-67.73
C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044715	1	41	0.0	-66.31	330.44	-0.05	-66.36
O=C(C[NH+]1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044742	1	35	0.0	-70.05	298.58	-1.22	-71.27
C[N@@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044751	0	39	0.0	-73.92	326.38	-0.08	-74.00
C[N@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044751	1	39	0.0	-73.74	327.33	-0.10	-73.84
C[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044769	0	37	0.0	-68.16	306.65	-1.24	-69.40
CC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044785	1	38	0.0	-69.92	319.75	-0.55	-70.47
C[N@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044798	1	38	0.0	-70.45	316.57	-4.21	-74.66
C[N@@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044798	1	38	0.0	-70.10	316.35	-4.21	-74.31
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL250005044810	0	43	0.0	-72.10	345.67	0.36	-71.74
CC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044812	0	37	0.0	-69.50	306.22	-0.98	-70.48
CC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044812	1	37	0.0	-69.49	306.21	-0.98	-70.47
CC[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044822	0	41	0.0	-66.22	337.08	0.39	-65.83
CC[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005044822	1	41	0.0	-67.04	334.86	0.38	-66.66
CC[NH+](CC)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044828	0	43	0.0	-70.50	346.43	0.27	-70.23
CC1(C)C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005044836	1	41	0.0	-69.93	338.90	-0.07	-70.00
C[NH+](C)CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044843	0	38	0.0	-74.39	325.71	-0.39	-74.78
CC(CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044860	0	43	0.0	-70.25	345.77	0.09	-70.16
CC[N@@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044864	1	38	0.0	-68.06	312.35	-0.79	-68.85
CC[N@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044864	1	38	0.0	-68.66	320.12	-0.62	-69.28
C=CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044884	0	41	0.0	-66.12	332.15	-0.16	-66.28
O=C(C[NH+]1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044892	0	39	0.0	-69.80	323.82	0.24	-69.56
CCCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005044897	0	43	0.0	-67.78	340.39	0.14	-67.64
C[NH+](C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044899	0	40	0.0	-71.34	315.95	-0.45	-71.79
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044909	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044909	1	41	0.0	-67.54	321.14	-0.21	-67.75
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005044945	0	38	0.0	-71.81	312.26	-0.62	-72.43
O=C(CC[NH+]1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044946	0	41	0.0	-70.87	336.81	0.08	-70.79
C[N@@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005044956	0	39	0.0	-70.98	320.53	-0.44	-71.42
C[N@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005044956	1	39	0.0	-71.14	318.52	-0.25	-71.39
CC(C[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005044991	0	40	0.0	-71.20	326.89	-0.36	-71.56
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL250005045011	0	41	0.0	-67.07	337.68	0.05	-67.02
CC1CC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045012	1	38	0.0	-67.63	314.27	-0.83	-68.46
CC1CC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045012	1	38	0.0	-68.60	319.82	-0.57	-69.17
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045043	0	41	0.0	-70.77	338.04	0.08	-70.69
CC(CC[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045044	0	43	0.0	-71.50	348.52	0.27	-71.23
NC(=[NH2+])SCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045062	0	32	0.0	-71.79	296.40	-4.69	-76.48
CCC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045116	1	41	0.0	-70.66	341.14	0.21	-70.45
C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045120	0	38	0.0	-66.66	314.77	-0.56	-67.22
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045120	1	38	0.0	-68.67	308.52	-1.09	-69.76
O=C(C[NH+]1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045127	0	41	0.0	-69.39	330.59	0.25	-69.14
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005045131	0	41	0.0	-70.44	330.71	-0.20	-70.64
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005045131	1	41	0.0	-70.19	334.96	-0.24	-70.43
C[N@@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045307	0	38	0.0	-68.69	308.44	-1.09	-69.78
C[N@H+]1CCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045307	1	38	0.0	-68.70	308.51	-1.08	-69.78
C[N@@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045333	1	39	0.0	-79.59	325.85	-1.19	-80.78
C[N@H+]1CCOC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045333	1	39	0.0	-79.64	325.85	-1.19	-80.83
C[N@@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045480	0	41	0.0	-72.97	335.02	-0.06	-73.03
C[N@H+]1CCC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045480	1	41	0.0	-71.90	334.65	-0.03	-71.93
CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045483	0	40	0.0	-66.77	319.14	-0.64	-67.41
C[NH+](C)CCCCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045493	0	43	0.0	-72.75	353.85	0.49	-72.26
CC(C)C(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045496	0	43	0.0	-67.94	337.54	0.62	-67.32
CCC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045497	0	43	0.0	-72.22	350.08	0.31	-71.91
CCC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045497	1	43	0.0	-72.18	350.08	0.32	-71.86
CCC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045498	0	40	0.0	-69.82	327.71	-0.23	-70.05
CCC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045498	1	40	0.0	-69.86	327.71	-0.23	-70.09
C[NH+](C)CC1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045537	0	41	0.0	-70.58	340.12	0.13	-70.45
CC[N@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045543	0	40	0.0	-71.46	328.58	-0.43	-71.89
CC[N@@H+](C)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045543	1	40	0.0	-71.48	328.58	-0.43	-71.91
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045564	0	41	0.0	-73.93	333.07	0.02	-73.91
CC(C)[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045579	0	43	0.0	-67.99	337.54	0.62	-67.37
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005045601	0	41	0.0	-71.74	322.67	-0.48	-72.22
CC1CCC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045625	0	41	0.0	-66.37	327.19	-0.25	-66.62
CC1CCC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045625	1	41	0.0	-67.07	333.65	0.12	-66.95
CC(C)[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045636	0	43	0.0	-67.56	334.73	0.87	-66.69
CC1CC[N@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045644	0	41	0.0	-69.13	334.36	0.12	-69.01
CC1CC[N@@H+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045644	1	41	0.0	-69.16	333.87	0.10	-69.06
CC[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045646	0	40	0.0	-66.74	319.14	-0.65	-67.39
CC1=[NH+]C=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045683	1	36	0.0	-66.54	317.92	-0.03	-66.57
CC1=C[NH+]=CN1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045701	1	36	0.0	-69.24	318.25	0.70	-68.54
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005045702	0	41	0.0	-73.18	325.08	-0.67	-73.85
C[C@@H]1[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005045702	1	41	0.0	-70.49	330.56	-0.15	-70.64
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045732	0	41	0.0	-67.63	334.70	0.34	-67.29
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CCC1	REAL250005045732	1	41	0.0	-67.94	334.60	0.33	-67.61
C[NH+]1CCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005045738	0	41	0.0	-73.93	333.07	0.02	-73.91
C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045751	0	38	0.0	-68.68	308.48	-1.09	-69.77
C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045751	1	38	0.0	-66.67	314.77	-0.57	-67.24
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045794	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045794	1	41	0.0	-67.54	321.14	-0.21	-67.75
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@@H+]1C	REAL250005045822	0	41	0.0	-70.44	330.71	-0.20	-70.64
CC1C(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC[N@H+]1C	REAL250005045822	1	41	0.0	-70.19	334.96	-0.24	-70.43
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005045863	0	37	0.0	-68.11	306.39	-1.23	-69.34
O=C(CC[NH+]1CCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045881	0	41	0.0	-70.87	336.81	0.08	-70.79
C[N@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045886	1	38	0.0	-70.45	316.57	-4.21	-74.66
C[N@@H+](CCO)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045886	1	38	0.0	-70.10	316.35	-4.21	-74.31
CC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005045929	1	38	0.0	-69.92	319.75	-0.55	-70.47
CC[N@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045961	0	37	0.0	-69.50	306.22	-0.98	-70.48
CC[N@@H+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005045961	1	37	0.0	-69.49	306.21	-0.98	-70.47
CC(CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046012	0	43	0.0	-70.25	345.77	0.09	-70.16
CC[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046017	0	41	0.0	-66.22	337.08	0.39	-65.83
CC[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046017	1	41	0.0	-67.04	334.86	0.38	-66.66
C[N@@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005046030	0	39	0.0	-70.98	320.53	-0.44	-71.42
C[N@H+]1CC2CC1(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C2	REAL250005046030	1	39	0.0	-71.14	318.52	-0.25	-71.39
CC(C[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046039	0	40	0.0	-71.20	326.89	-0.36	-71.56
C[NH+](C)C1(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046045	0	38	0.0	-71.81	312.26	-0.62	-72.43
C[C@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046055	0	37	0.0	-68.16	306.65	-1.24	-69.40
CC[N@@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046058	1	38	0.0	-68.06	312.35	-0.79	-68.85
CC[N@H+]1CCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046058	1	38	0.0	-68.66	320.12	-0.62	-69.28
NC1=CC=[NH+]C=C1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046069	0	34	0.0	-70.61	296.60	-3.16	-73.77
CCCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046073	0	43	0.0	-67.78	340.39	0.14	-67.64
C[NH+](C)C(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046076	0	40	0.0	-71.34	315.95	-0.45	-71.79
CC(CC[NH+](C)C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046085	0	43	0.0	-71.50	348.52	0.27	-71.23
O=C(C[NH+]1CC2CC2C1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046144	0	39	0.0	-69.80	323.82	0.24	-69.56
C[N@@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046152	0	41	0.0	-67.47	321.12	-0.22	-67.69
C[N@H+]1CCCCC1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046152	1	41	0.0	-67.54	321.14	-0.21	-67.75
C[N@@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046176	0	39	0.0	-73.92	326.38	-0.08	-74.00
C[N@H+]1CCC(=CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046176	1	39	0.0	-73.74	327.33	-0.10	-73.84
CCC1C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046198	1	41	0.0	-70.66	341.14	0.21	-70.45
C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046203	0	38	0.0	-66.66	314.77	-0.56	-67.22
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046203	1	38	0.0	-68.67	308.52	-1.09	-69.76
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046243	0	41	0.0	-70.77	338.04	0.08	-70.69
O=C(C[NH+]1CCCCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046284	0	41	0.0	-69.39	330.59	0.25	-69.14
C[N@@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046285	0	41	0.0	-70.56	333.08	-0.01	-70.57
C[N@H+]1CCCC(C(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046285	1	41	0.0	-64.08	326.79	0.18	-63.90
CN1C=C[N+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL250005046286	0	36	0.0	-67.67	319.72	1.86	-65.81
C[N@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046296	0	38	0.0	-66.89	317.75	-0.24	-67.13
C[N@@H+](CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046296	1	38	0.0	-67.44	317.89	-0.23	-67.67
CC(CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1)C[NH+](C)C	REAL250005046304	0	43	0.0	-72.10	345.67	0.36	-71.74
C[NH+]1CC(CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046353	0	38	0.0	-71.07	319.93	-0.82	-71.89
C[NH+](C)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046359	0	34	0.0	-70.26	288.49	-1.64	-71.90
C[C@@H](C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046366	0	37	0.0	-68.11	306.39	-1.23	-69.34
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CC(C)C1	REAL250005046379	0	41	0.0	-67.07	337.68	0.05	-67.02
CC1CC[N@@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046380	1	38	0.0	-67.63	314.27	-0.83	-68.46
CC1CC[N@H+]1CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046380	1	38	0.0	-68.60	319.82	-0.57	-69.17
C[NH+](C)CC=CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046382	0	38	0.0	-74.39	325.71	-0.39	-74.78
CC1(C)C[NH+](CC(=O)NCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046386	1	41	0.0	-69.93	338.90	-0.07	-70.00
CC[NH+](CC)CC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046398	0	40	0.0	-68.05	320.07	-0.56	-68.61
O=C(C[NH+]1CCC1)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046403	1	35	0.0	-70.05	298.58	-1.22	-71.27
CC[NH+](CC)CCC(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046421	0	43	0.0	-70.50	346.43	0.27	-70.23
CC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005046449	1	38	0.0	-67.92	318.49	-0.72	-68.64
C[NH+](C)CC(C)(C)C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046453	0	43	0.0	-66.17	336.01	0.06	-66.11
C[N@@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046473	0	41	0.0	-67.52	321.12	-0.21	-67.73
C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046473	1	41	0.0	-66.31	330.44	-0.05	-66.36
C=CCC(C(=O)NCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046492	0	41	0.0	-66.12	332.15	-0.16	-66.28
C[N@@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046628	0	41	0.0	-70.32	329.99	-0.31	-70.63
C[N@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046628	1	41	0.0	-70.43	330.01	-0.31	-70.74
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046728	0	43	0.0	-68.34	340.64	0.13	-68.21
CCC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046733	0	43	0.0	-71.37	349.21	0.55	-70.82
CCC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046733	1	43	0.0	-71.37	349.21	0.54	-70.83
C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046741	0	41	0.0	-70.42	330.01	-0.32	-70.74
C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046741	1	41	0.0	-68.34	336.27	0.20	-68.14
CC[NH+](CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046746	0	43	0.0	-69.65	341.57	0.22	-69.43
CC[N@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046802	0	43	0.0	-73.05	350.08	0.36	-72.69
CC[N@@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046802	1	43	0.0	-73.08	350.08	0.35	-72.73
CC[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046805	0	43	0.0	-68.33	340.64	0.13	-68.20
C[NH+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046823	0	37	0.0	-71.73	309.98	-0.87	-72.60
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005046827	1	41	0.0	-69.68	339.99	0.06	-69.62
C[N@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046833	0	41	0.0	-68.43	339.25	0.54	-67.89
C[N@@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005046833	1	41	0.0	-68.92	339.38	0.54	-68.38
C[NH+]1CC(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046839	0	41	0.0	-72.66	341.43	-0.04	-72.70
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046846	0	40	0.0	-69.88	328.09	-0.47	-70.35
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046866	0	40	0.0	-69.88	328.09	-0.47	-70.35
O=C(C[NH+]1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046884	1	38	0.0	-71.60	320.08	-0.44	-72.04
C[C@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005046895	0	40	0.0	-69.75	328.12	-0.45	-70.20
CC1C[NH+](CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005046901	1	41	0.0	-71.45	341.25	0.23	-71.22
CC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046918	0	40	0.0	-70.98	327.72	-0.20	-71.18
CC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046918	1	40	0.0	-71.02	327.71	-0.20	-71.22
C[NH+](C)CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046934	0	41	0.0	-76.12	347.21	0.39	-75.73
CC[N@@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046940	1	41	0.0	-69.03	334.78	-0.14	-69.17
CC[N@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046940	1	41	0.0	-70.34	341.62	0.15	-70.19
C[NH+](C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046953	0	43	0.0	-73.93	337.45	0.31	-73.62
C[NH+](C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005046975	0	41	0.0	-74.32	333.75	0.16	-74.16
CC(C[NH+](C)C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005046997	0	43	0.0	-72.80	348.39	0.41	-72.39
CC1CC[N@@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047006	1	41	0.0	-69.23	335.77	-0.04	-69.27
CC1CC[N@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047006	1	41	0.0	-70.21	341.32	0.20	-70.01
C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047056	0	41	0.0	-67.70	335.68	0.10	-67.60
C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047056	1	41	0.0	-70.40	329.95	-0.31	-70.71
C[N@@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047162	0	41	0.0	-70.32	329.99	-0.31	-70.63
C[N@H+]1CCCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047162	1	41	0.0	-70.43	330.01	-0.31	-70.74
CCC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047231	0	43	0.0	-68.34	340.64	0.13	-68.21
CCC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047235	0	43	0.0	-71.37	349.21	0.55	-70.82
CCC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047235	1	43	0.0	-71.37	349.21	0.54	-70.83
CC[N@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047252	0	43	0.0	-73.05	350.08	0.36	-72.69
CC[N@@H+](C)CCC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047252	1	43	0.0	-73.08	350.08	0.35	-72.73
CC[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047292	0	43	0.0	-68.33	340.64	0.13	-68.20
C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047338	0	41	0.0	-70.42	330.01	-0.32	-70.74
C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047338	1	41	0.0	-68.34	336.27	0.20	-68.14
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047391	0	40	0.0	-69.88	328.09	-0.47	-70.35
CC1C[NH+](CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047415	1	41	0.0	-71.45	341.25	0.23	-71.22
CC[N@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047433	0	40	0.0	-70.98	327.72	-0.20	-71.18
CC[N@@H+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047433	1	40	0.0	-71.02	327.71	-0.20	-71.22
CC(C[NH+](C)C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047463	0	43	0.0	-72.80	348.39	0.41	-72.39
C[NH+](C)C1(C(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005047466	0	41	0.0	-74.32	333.75	0.16	-74.16
C[C@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047470	0	40	0.0	-69.75	328.12	-0.45	-70.20
CC[N@@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047473	1	41	0.0	-69.03	334.78	-0.14	-69.17
CC[N@H+]1CCC1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047473	1	41	0.0	-70.34	341.62	0.15	-70.19
C[NH+](C)C(C)(C)C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047481	0	43	0.0	-73.93	337.45	0.31	-73.62
C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047540	0	41	0.0	-67.70	335.68	0.10	-67.60
C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047540	1	41	0.0	-70.40	329.95	-0.31	-70.71
C[N@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047577	0	41	0.0	-68.43	339.25	0.54	-67.89
C[N@@H+](CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005047577	1	41	0.0	-68.92	339.38	0.54	-68.38
C[NH+]1CC(CC(=O)NCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047605	0	41	0.0	-72.66	341.43	-0.04	-72.70
C[NH+](C)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047608	0	37	0.0	-71.73	309.98	-0.87	-72.60
C[C@@H](C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005047611	0	40	0.0	-69.88	328.09	-0.47	-70.35
CC1CC[N@@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047618	1	41	0.0	-69.23	335.77	-0.04	-69.27
CC1CC[N@H+]1CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047618	1	41	0.0	-70.21	341.32	0.20	-70.01
C[NH+](C)CC=CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047619	0	41	0.0	-76.12	347.21	0.39	-75.73
CC[NH+](CC)CC(=O)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047625	0	43	0.0	-69.65	341.57	0.22	-69.43
O=C(C[NH+]1CCC1)NCCCNC(=O)C1=CC(=O)[N-]O1	REAL250005047626	1	38	0.0	-71.60	320.08	-0.44	-72.04
CC(C(=O)NCCCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005047648	1	41	0.0	-69.68	339.99	0.06	-69.62
C[NH+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047818	0	38	0.0	-71.01	310.65	0.73	-70.28
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005047823	0	41	0.0	-68.81	326.55	1.06	-67.75
C[C@@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005047836	0	41	0.0	-68.81	326.55	1.06	-67.75
O=C(C[NH+]1CCC1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047844	1	39	0.0	-70.93	320.88	1.22	-69.71
C[C@H](C(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005047849	0	41	0.0	-69.04	327.66	1.06	-67.98
CC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047861	0	41	0.0	-69.92	329.61	1.44	-68.48
CC[N@@H+](C)CC(=O)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005047861	1	41	0.0	-69.96	329.62	1.43	-68.53
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005048025	0	41	0.0	-70.29	325.77	1.08	-69.21
CC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048044	0	41	0.0	-74.35	326.58	1.30	-73.05
CC[N@@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048044	1	41	0.0	-72.60	325.68	1.33	-71.27
C[C@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005048057	0	41	0.0	-71.78	326.01	1.09	-70.69
C[NH+](C)CC(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048113	0	38	0.0	-75.05	308.97	0.61	-74.44
C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005048116	0	41	0.0	-70.29	325.77	1.08	-69.21
O=C(C[NH+]1CCC1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048123	1	39	0.0	-72.72	317.90	1.12	-71.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[NH+](C)C)C1	REAL250005048176	0	41	0.0	-73.96	321.93	2.34	-71.62
CN(C(=O)C[NH+](C)C)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048257	0	41	0.0	-72.59	320.63	2.28	-70.31
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048294	0	41	0.0	-52.45	312.04	2.84	-49.61
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048375	0	41	0.0	-52.45	312.04	2.84	-49.61
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048412	0	41	0.0	-69.72	325.31	1.48	-68.24
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048493	0	41	0.0	-71.01	322.06	1.19	-69.82
C[NH+](C)CC(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005048561	0	41	0.0	-73.69	325.27	1.47	-72.22
C[NH+](C)CC(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005048642	0	41	0.0	-74.47	322.45	1.35	-73.12
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048710	0	41	0.0	-71.01	322.06	1.19	-69.82
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005048791	0	41	0.0	-69.72	325.31	1.48	-68.24
CN(CCCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005048891	0	40	0.0	-70.23	325.34	1.15	-69.08
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005048896	0	43	0.0	-68.51	342.88	1.57	-66.94
C[C@@H](C(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005048909	0	43	0.0	-68.51	342.88	1.57	-66.94
CN(CCCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005048917	1	41	0.0	-69.74	335.44	1.58	-68.16
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CC[N@H+](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048934	0	43	0.0	-69.53	342.81	1.80	-67.73
CC[N@@H+](C)CC(=O)NCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005048934	1	43	0.0	-69.56	342.82	1.80	-67.76
C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005049087	0	43	0.0	-68.38	343.40	1.53	-66.85
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C[C@@H](C(=O)N(C)CCCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005049173	0	43	0.0	-68.38	343.40	1.53	-66.85
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C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005049901	0	41	0.0	-68.49	327.25	1.09	-67.40
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C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050197	0	41	0.0	-68.97	326.75	1.04	-67.93
C[C@@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050210	0	41	0.0	-68.97	326.75	1.04	-67.93
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C[C@H](C(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005050223	0	41	0.0	-68.90	326.81	1.03	-67.87
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CC[N@@H+](C)CC(=O)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005050235	1	41	0.0	-70.15	328.40	1.40	-68.75
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C[NH+](C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005051344	0	38	0.0	-61.72	309.52	0.34	-61.38
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C[NH+](C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL250005051538	0	39	0.0	-74.31	318.63	1.38	-72.93
C[NH+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005051623	0	39	0.0	-70.96	321.53	1.47	-69.49
CC(CNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051755	0	41	0.0	-61.87	328.33	0.01	-61.86
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CCC(C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005051855	0	43	0.0	-60.83	338.95	0.47	-60.36
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CC(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051868	0	41	0.0	-59.89	333.40	0.53	-59.36
CC(CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051868	1	41	0.0	-61.84	328.26	0.01	-61.83
CC[NH+](CC)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051873	0	43	0.0	-60.31	344.39	0.84	-59.47
CC[N@H+](C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051929	0	43	0.0	-63.63	348.39	0.69	-62.94
CC[N@@H+](C)CCC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051929	1	43	0.0	-63.54	348.39	0.68	-62.86
CC[C@@H](C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005051932	0	43	0.0	-59.73	338.94	0.46	-59.27
CC(CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051950	0	37	0.0	-62.91	308.29	-0.53	-63.44
CC(CNC(=O)C(C)[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051954	1	41	0.0	-60.64	338.30	0.40	-60.24
CC(CNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051960	0	41	0.0	-59.85	337.56	0.88	-58.97
CC(CNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051960	1	41	0.0	-59.69	337.56	0.88	-58.81
CC(CNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005051966	0	41	0.0	-64.77	339.74	0.30	-64.47
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051973	0	40	0.0	-60.38	326.40	-0.13	-60.51
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005051993	0	40	0.0	-60.38	326.40	-0.13	-60.51
CC(CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052011	1	38	0.0	-62.42	318.39	-0.11	-62.53
CC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052022	0	40	0.0	-61.35	326.43	-0.11	-61.46
CC(CNC(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052028	1	41	0.0	-62.00	339.56	0.56	-61.44
CC[N@H+](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052045	0	40	0.0	-61.86	326.02	0.15	-61.71
CC[N@@H+](C)CC(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052045	1	40	0.0	-61.89	326.02	0.12	-61.77
CC(CNC(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052061	0	41	0.0	-67.34	344.26	0.68	-66.66
CC[N@@H+]1CCC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052067	1	41	0.0	-60.26	333.08	0.20	-60.06
CC[N@H+]1CCC1C(=O)NCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052067	1	41	0.0	-60.73	339.93	0.49	-60.24
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CC(CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005052102	0	41	0.0	-61.45	330.51	0.85	-60.60
CC(CNC(=O)C(C)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052124	0	43	0.0	-63.55	346.70	0.73	-62.82
CC(CNC(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052133	1	41	0.0	-60.60	339.63	0.55	-60.05
CC(CNC(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052133	1	41	0.0	-60.90	339.58	0.57	-60.33
CC(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052183	0	41	0.0	-60.00	328.30	0.02	-59.98
CC(CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005052183	1	41	0.0	-59.68	334.21	0.51	-59.17
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL250005052289	0	41	0.0	-59.90	328.30	0.01	-59.89
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL250005052289	1	41	0.0	-59.84	328.30	0.01	-59.83
CCC(C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005052358	0	43	0.0	-59.73	338.95	0.45	-59.28
CCC[N@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052362	0	43	0.0	-63.15	347.52	0.86	-62.29
CCC[N@@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052362	1	43	0.0	-63.30	347.52	0.86	-62.44
CC[N@H+](C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052379	0	43	0.0	-64.55	348.39	0.65	-63.90
CC[N@@H+](C)CCC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052379	1	43	0.0	-64.45	348.39	0.67	-63.78
CC[C@@H](C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005052419	0	43	0.0	-59.75	338.54	0.47	-59.28
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL250005052465	0	41	0.0	-60.06	334.63	0.53	-59.53
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL250005052465	1	41	0.0	-59.86	328.28	0.00	-59.86
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005052518	0	40	0.0	-60.51	326.40	-0.14	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL250005052542	1	41	0.0	-63.04	339.57	0.54	-62.50
CC[N@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052560	0	40	0.0	-62.82	326.02	0.13	-62.69
CC[N@@H+](C)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052560	1	40	0.0	-62.94	326.03	0.12	-62.82
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)C[NH+](C)C	REAL250005052590	0	43	0.0	-64.85	346.71	0.72	-64.13
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL250005052593	0	41	0.0	-64.28	332.39	0.36	-63.92
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005052597	0	40	0.0	-62.72	326.46	-0.14	-62.86
CC[N@@H+]1CCC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052600	1	41	0.0	-61.31	333.14	0.18	-61.13
CC[N@H+]1CCC1C(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052600	1	41	0.0	-60.27	332.86	0.09	-60.18
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL250005052608	0	43	0.0	-64.64	335.76	0.60	-64.04
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL250005052667	0	41	0.0	-59.88	328.26	0.01	-59.87
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL250005052667	1	41	0.0	-60.34	333.98	0.40	-59.94
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL250005052704	0	41	0.0	-61.25	337.69	0.86	-60.39
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL250005052704	1	41	0.0	-60.33	337.56	0.86	-59.47
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL250005052732	0	41	0.0	-63.65	339.74	0.27	-63.38
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005052735	0	37	0.0	-63.78	308.30	-0.55	-64.33
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005052738	0	40	0.0	-60.51	326.40	-0.14	-60.65
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+]1CCC1C	REAL250005052745	1	41	0.0	-62.18	339.55	0.57	-61.61
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+]1CCC1C	REAL250005052745	1	41	0.0	-61.00	334.08	0.26	-60.74
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL250005052746	0	41	0.0	-66.47	344.26	0.67	-65.80
CC[NH+](CC)CC(=O)NC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005052752	0	43	0.0	-61.94	344.40	0.82	-61.12
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005052753	1	38	0.0	-63.11	318.39	-0.13	-63.24
CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)[NH+]1CCC1	REAL250005052775	1	41	0.0	-62.33	338.30	0.38	-61.95
C[NH+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052916	0	38	0.0	-70.94	311.76	0.77	-70.17
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005052921	0	41	0.0	-68.49	327.25	1.09	-67.40
C[C@@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005052934	0	41	0.0	-68.49	327.25	1.09	-67.40
O=C(C[NH+]1CCC1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052942	1	39	0.0	-70.48	322.10	1.24	-69.24
C[C@H](C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005052947	0	41	0.0	-68.69	327.25	1.10	-67.59
CC[N@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052959	0	41	0.0	-70.30	328.32	1.42	-68.88
CC[N@@H+](C)CC(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005052959	1	41	0.0	-70.15	329.47	1.45	-68.70
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005053123	0	41	0.0	-72.34	327.07	1.04	-71.30
CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053142	0	41	0.0	-74.36	326.57	1.31	-73.05
CC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053142	1	41	0.0	-74.38	326.56	1.31	-73.07
C[C@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005053155	0	41	0.0	-73.25	327.04	1.05	-72.20
C[NH+](C)CC(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053211	0	38	0.0	-73.30	307.89	0.66	-72.64
C[C@@H](C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005053214	0	41	0.0	-72.34	327.07	1.04	-71.30
O=C(C[NH+]1CCC1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053221	1	39	0.0	-73.08	318.20	1.13	-71.95
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005053274	0	41	0.0	-70.75	333.08	1.36	-69.39
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005053355	0	41	0.0	-71.60	330.21	1.18	-70.42
CC(CCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053517	0	40	0.0	-72.39	329.74	0.14	-72.25
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053522	0	43	0.0	-70.17	347.64	0.54	-69.63
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053535	0	43	0.0	-70.17	347.64	0.54	-69.63
CC(CCNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005053543	1	41	0.0	-72.50	339.84	0.56	-71.94
CC(CCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053548	0	43	0.0	-71.18	347.88	0.56	-70.62
CC[N@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053560	0	43	0.0	-71.90	347.47	0.80	-71.10
CC[N@@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005053560	1	43	0.0	-71.87	347.47	0.80	-71.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005053713	0	43	0.0	-66.47	347.85	0.54	-65.93
CC[N@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053732	0	43	0.0	-66.71	347.47	0.80	-65.91
CC[N@@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005053732	1	43	0.0	-66.66	347.47	0.80	-65.86
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005053745	0	43	0.0	-66.42	347.88	0.55	-65.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005053796	0	40	0.0	-67.52	329.74	0.13	-67.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005053799	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005053806	1	41	0.0	-67.39	339.84	0.55	-66.84
CN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053928	0	41	0.0	-70.32	324.03	0.95	-69.37
CN(CCNC(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005053928	1	41	0.0	-70.11	324.27	0.94	-69.17
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054028	0	43	0.0	-68.27	334.29	1.40	-66.87
CCC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054033	0	43	0.0	-72.43	343.07	1.80	-70.63
CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054033	1	43	0.0	-72.46	342.81	1.78	-70.68
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054041	0	41	0.0	-69.05	329.78	1.44	-67.61
CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054041	1	41	0.0	-70.13	324.45	0.94	-69.19
CC[NH+](CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054046	0	43	0.0	-70.44	334.94	1.45	-68.99
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054102	0	43	0.0	-74.65	343.94	1.61	-73.04
CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054102	1	43	0.0	-74.70	343.94	1.60	-73.10
CC[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054105	0	43	0.0	-68.35	333.88	1.43	-66.92
CN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054123	0	37	0.0	-72.90	303.84	0.39	-72.51
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005054127	1	41	0.0	-71.16	333.29	1.30	-69.86
CN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054133	0	41	0.0	-69.86	333.24	1.80	-68.06
CN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054133	1	41	0.0	-69.59	332.85	1.77	-67.82
CN(CCNC(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005054139	0	41	0.0	-73.67	335.29	1.22	-72.45
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054146	0	40	0.0	-70.06	321.06	0.79	-69.27
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054166	0	40	0.0	-70.06	321.06	0.79	-69.27
CN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054184	1	38	0.0	-73.08	313.69	0.79	-72.29
C[C@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054195	0	40	0.0	-71.68	321.69	0.79	-70.89
CC1C[NH+](CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005054201	1	41	0.0	-72.51	335.11	1.48	-71.03
CC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054218	0	40	0.0	-72.15	321.57	1.05	-71.10
CC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054218	1	40	0.0	-72.21	321.32	1.04	-71.17
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054234	0	41	0.0	-77.67	339.81	1.61	-76.06
CC[N@@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054240	1	41	0.0	-70.60	328.76	1.11	-69.49
CC[N@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054240	1	41	0.0	-71.68	336.08	1.41	-70.27
CN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005054253	0	43	0.0	-77.43	331.41	1.58	-75.85
CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005054275	0	41	0.0	-77.75	327.87	1.42	-76.33
CC(C[NH+](C)C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054297	0	43	0.0	-68.63	341.75	1.74	-66.89
CC1CC[N@@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054306	1	41	0.0	-70.49	329.37	1.19	-69.30
CC1CC[N@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005054306	1	41	0.0	-71.09	335.17	1.47	-69.62
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054356	0	41	0.0	-70.30	323.77	0.92	-69.38
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005054356	1	41	0.0	-68.48	329.29	1.33	-67.15
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL250005054462	0	41	0.0	-70.17	325.93	0.98	-69.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL250005054462	1	41	0.0	-67.13	329.34	1.33	-65.80
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054531	0	43	0.0	-69.53	336.28	1.51	-68.02
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054535	0	43	0.0	-70.12	345.81	1.87	-68.25
CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054535	1	43	0.0	-70.16	345.54	1.84	-68.32
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054552	0	43	0.0	-72.50	346.41	1.69	-70.81
CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054552	1	43	0.0	-72.58	346.41	1.70	-70.88
CC[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054592	0	43	0.0	-66.35	334.61	1.39	-64.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL250005054638	0	41	0.0	-67.19	330.07	1.25	-65.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL250005054638	1	41	0.0	-68.30	325.81	0.99	-67.31
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054691	0	40	0.0	-67.99	323.12	0.85	-67.14
CC1C[NH+](CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005054715	1	41	0.0	-70.30	337.85	1.54	-68.76
CC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054733	0	40	0.0	-69.85	324.31	1.13	-68.72
CC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054733	1	40	0.0	-69.82	324.31	1.12	-68.70
CC(C[NH+](C)C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054763	0	43	0.0	-72.14	340.07	1.46	-70.68
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CC1	REAL250005054766	0	41	0.0	-71.43	330.59	1.17	-70.26
C[C@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054770	0	40	0.0	-68.82	322.76	0.81	-68.01
CC[N@@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054773	0	41	0.0	-70.03	337.49	1.38	-68.65
CC[N@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054773	1	41	0.0	-69.82	336.71	1.32	-68.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL250005054781	0	43	0.0	-72.97	326.90	0.92	-72.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL250005054840	0	41	0.0	-67.83	325.42	0.97	-66.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL250005054840	1	41	0.0	-66.87	331.22	1.28	-65.59
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL250005054877	0	41	0.0	-67.67	335.72	1.84	-65.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL250005054877	1	41	0.0	-67.26	335.57	1.84	-65.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL250005054905	0	41	0.0	-72.32	338.02	1.30	-71.02
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005054908	0	37	0.0	-70.68	306.31	0.43	-70.25
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005054911	0	40	0.0	-67.99	323.12	0.85	-67.14
CC1CC[N@@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054918	0	41	0.0	-69.20	337.86	1.51	-67.69
CC1CC[N@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054918	1	41	0.0	-68.04	332.36	1.25	-66.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL250005054919	0	41	0.0	-76.13	341.72	1.69	-74.44
CC[NH+](CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005054925	0	43	0.0	-68.53	338.17	1.52	-67.01
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005054926	1	38	0.0	-70.37	316.68	0.87	-69.50
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005054948	0	41	0.0	-67.82	332.25	1.34	-66.48
CCN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055086	0	40	0.0	-73.85	323.15	1.25	-72.60
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055091	0	43	0.0	-70.88	337.49	1.59	-69.29
CCN(CCNC(=O)[C@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055104	0	43	0.0	-70.88	337.49	1.59	-69.29
CCN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005055112	1	41	0.0	-73.94	330.32	1.57	-72.37
CCN(CCNC(=O)[C@@H](C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055117	0	43	0.0	-72.68	338.45	1.55	-71.13
CCN(CCNC(=O)C[N@H+](C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055129	0	43	0.0	-73.07	337.95	1.81	-71.26
CCN(CCNC(=O)C[N@@H+](C)CC)C(=O)C1=CC(=O)[N-]O1	REAL250005055129	1	43	0.0	-73.05	340.88	1.92	-71.13
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)[NH+](C)C	REAL250005055282	0	43	0.0	-67.99	338.77	1.56	-66.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)CC	REAL250005055301	0	43	0.0	-70.11	340.26	1.91	-68.20
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)CC	REAL250005055301	1	43	0.0	-70.08	340.25	1.91	-68.17
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H](C)[NH+](C)C	REAL250005055314	0	43	0.0	-68.29	344.16	1.78	-66.51
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005055365	0	40	0.0	-70.79	322.52	1.24	-69.55
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H](C)[NH+](C)C	REAL250005055368	0	43	0.0	-67.99	338.77	1.56	-66.43
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005055375	1	41	0.0	-69.87	336.65	1.78	-68.09
C[NH+](C)CC(=O)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005055426	0	41	0.0	-74.65	325.89	1.35	-73.30
C[NH+](C)CC(=O)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005055507	0	41	0.0	-71.07	329.10	1.46	-69.61
C[NH+](C)CC(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005055544	0	41	0.0	-71.60	330.21	1.18	-70.42
C[NH+](C)CC(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005055625	0	41	0.0	-70.75	333.08	1.36	-69.39
CCCN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005055658	0	43	0.0	-67.10	344.72	1.97	-65.13
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005055733	0	43	0.0	-71.09	344.02	1.99	-69.10
C[NH+](C)CC(=O)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055770	0	41	0.0	-67.51	326.78	1.82	-65.69
C[NH+](C)CC(=O)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL250005055851	0	41	0.0	-67.48	330.71	1.97	-65.51
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@@H+]1C	REAL250005055952	0	41	0.0	-70.17	325.93	0.98	-69.19
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1CCC[N@H+]1C	REAL250005055952	1	41	0.0	-67.13	329.34	1.33	-65.80
CCC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056052	0	43	0.0	-69.53	336.28	1.51	-68.02
CCC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056057	0	43	0.0	-70.12	345.81	1.87	-68.25
CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056057	1	43	0.0	-70.16	345.54	1.84	-68.32
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@@H+]1C	REAL250005056065	0	41	0.0	-67.19	330.07	1.25	-65.94
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@H]1CCC[N@H+]1C	REAL250005056065	1	41	0.0	-68.30	325.81	0.99	-67.31
CC[NH+](CC)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056070	0	43	0.0	-68.53	338.17	1.52	-67.01
CC[N@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056126	0	43	0.0	-72.50	346.41	1.69	-70.81
CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056126	1	43	0.0	-72.58	346.41	1.70	-70.88
CC[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056129	0	43	0.0	-66.35	334.61	1.39	-64.96
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005056147	0	37	0.0	-70.68	306.31	0.43	-70.25
CC(C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005056151	0	41	0.0	-67.82	332.25	1.34	-66.48
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@H+](C)C1CC1	REAL250005056157	0	41	0.0	-67.67	335.72	1.84	-65.83
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[N@@H+](C)C1CC1	REAL250005056157	1	41	0.0	-67.26	335.57	1.84	-65.42
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CC1C[NH+](C)C1	REAL250005056163	0	41	0.0	-72.32	338.02	1.30	-71.02
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056170	0	40	0.0	-67.99	323.12	0.85	-67.14
C[C@@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056190	0	40	0.0	-67.99	323.12	0.85	-67.14
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005056208	1	38	0.0	-70.37	316.68	0.87	-69.50
C[C@H](C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056219	0	40	0.0	-68.82	322.76	0.81	-68.01
CC1C[NH+](CC(=O)N(C)CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005056225	1	41	0.0	-70.30	337.85	1.54	-68.76
CC[N@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056242	0	40	0.0	-69.85	324.31	1.13	-68.72
CC[N@@H+](C)CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056242	1	40	0.0	-69.82	324.31	1.12	-68.70
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C=CC[NH+](C)C	REAL250005056258	0	41	0.0	-76.13	341.72	1.69	-74.44
CC[N@@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056264	0	41	0.0	-70.03	337.49	1.38	-68.65
CC[N@H+]1CCC1C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056264	1	41	0.0	-69.82	336.71	1.32	-68.50
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C(C)(C)[NH+](C)C	REAL250005056277	0	43	0.0	-72.97	326.90	0.92	-72.05
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1([NH+](C)C)CC1	REAL250005056299	0	41	0.0	-71.43	330.59	1.17	-70.26
CC(C[NH+](C)C)C(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056321	0	43	0.0	-72.14	340.07	1.46	-70.68
CC1CC[N@@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056330	0	41	0.0	-69.20	337.86	1.51	-67.69
CC1CC[N@H+]1CC(=O)N(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005056330	1	41	0.0	-68.04	332.36	1.25	-66.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL250005056380	0	41	0.0	-67.83	325.42	0.97	-66.86
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)[C@@H]1CCC[N@H+]1C	REAL250005056380	1	41	0.0	-66.87	331.22	1.28	-65.59
CN(CCNC(=O)C1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056486	0	41	0.0	-70.32	324.03	0.95	-69.37
CN(CCNC(=O)C1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056486	1	41	0.0	-70.11	324.27	0.94	-69.17
CCC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056555	0	43	0.0	-68.27	334.29	1.40	-66.87
CCC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056559	0	43	0.0	-72.43	343.07	1.80	-70.63
CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056559	1	43	0.0	-72.46	342.81	1.78	-70.68
CC[N@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056576	0	43	0.0	-74.65	343.94	1.61	-73.04
CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056576	1	43	0.0	-74.70	343.94	1.60	-73.10
CC[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056616	0	43	0.0	-68.35	333.88	1.43	-66.92
CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056662	0	41	0.0	-69.05	329.78	1.44	-67.61
CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056662	1	41	0.0	-70.13	324.45	0.94	-69.19
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056715	0	40	0.0	-70.06	321.06	0.79	-69.27
CC1C[NH+](CC(=O)NCCN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005056739	1	41	0.0	-72.51	335.11	1.48	-71.03
CC[N@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056757	0	40	0.0	-72.15	321.57	1.05	-71.10
CC[N@@H+](C)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056757	1	40	0.0	-72.21	321.32	1.04	-71.17
CC(C[NH+](C)C)C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056787	0	43	0.0	-68.63	341.75	1.74	-66.89
CN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056790	0	41	0.0	-77.75	327.87	1.42	-76.33
C[C@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056794	0	40	0.0	-71.68	321.69	0.79	-70.89
CC[N@@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056797	1	41	0.0	-70.60	328.76	1.11	-69.49
CC[N@H+]1CCC1C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056797	1	41	0.0	-71.68	336.08	1.41	-70.27
CN(CCNC(=O)C(C)(C)[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056805	0	43	0.0	-77.43	331.41	1.58	-75.85
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056864	0	41	0.0	-70.30	323.77	0.92	-69.38
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)C1=CC(=O)[N-]O1	REAL250005056864	1	41	0.0	-68.48	329.29	1.33	-67.15
CN(CCNC(=O)C[N@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056901	0	41	0.0	-69.86	333.24	1.80	-68.06
CN(CCNC(=O)C[N@@H+](C)C1CC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056901	1	41	0.0	-69.59	332.85	1.77	-67.82
CN(CCNC(=O)CC1C[NH+](C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005056929	0	41	0.0	-73.67	335.29	1.22	-72.45
CN(CCNC(=O)C[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056932	0	37	0.0	-72.90	303.84	0.39	-72.51
C[C@@H](C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005056935	0	40	0.0	-70.06	321.06	0.79	-69.27
CC1CC[N@@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056942	1	41	0.0	-70.49	329.37	1.19	-69.30
CC1CC[N@H+]1CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056942	1	41	0.0	-71.09	335.17	1.47	-69.62
CN(CCNC(=O)C=CC[NH+](C)C)C(=O)C1=CC(=O)[N-]O1	REAL250005056943	0	41	0.0	-77.67	339.81	1.61	-76.06
CC[NH+](CC)CC(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005056949	0	43	0.0	-70.44	334.94	1.45	-68.99
CN(CCNC(=O)C[NH+]1CCC1)C(=O)C1=CC(=O)[N-]O1	REAL250005056950	1	38	0.0	-73.08	313.69	0.79	-72.29
CC(C(=O)NCCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005056972	1	41	0.0	-71.16	333.29	1.30	-69.86
C[NH+](C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057161	0	41	0.0	-73.71	325.33	1.48	-72.23
C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057242	0	41	0.0	-74.49	322.11	1.21	-73.28
C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057279	0	41	0.0	-74.39	322.42	1.33	-73.06
C[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057360	0	41	0.0	-73.69	325.31	1.48	-72.21
C[NH+](C)CC(=O)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057397	0	41	0.0	-74.49	322.11	1.21	-73.28
C[NH+](C)CC(=O)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005057478	0	41	0.0	-73.71	325.33	1.48	-72.23
C[N@@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057584	0	39	0.0	-70.33	319.57	0.80	-69.53
C[N@H+]1CCCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057584	1	39	0.0	-74.30	313.75	0.47	-73.83
CCC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057687	0	41	0.0	-62.76	324.32	0.84	-61.92
CCC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057692	0	41	0.0	-74.63	332.94	1.34	-73.29
CCC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057692	1	41	0.0	-74.81	332.99	1.34	-73.47
C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057700	0	39	0.0	-74.46	313.90	0.39	-74.07
C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057700	1	39	0.0	-70.69	320.00	0.98	-69.71
CC[NH+](CC)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057705	0	41	0.0	-64.81	325.51	0.93	-63.88
CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057763	0	41	0.0	-67.55	334.01	1.06	-66.49
CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057763	1	41	0.0	-67.43	334.01	1.06	-66.37
CC[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057766	0	41	0.0	-70.78	324.55	0.84	-69.94
C[NH+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057784	0	35	0.0	-66.90	293.92	-0.16	-67.06
CC(C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL250005057788	1	39	0.0	-71.52	322.09	0.92	-70.60
C[N@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057795	0	39	0.0	-71.79	323.16	1.25	-70.54
C[N@@H+](CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005057795	1	39	0.0	-64.25	323.32	1.25	-63.00
C[NH+]1CC(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057801	0	39	0.0	-69.03	325.36	0.67	-68.36
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057808	0	38	0.0	-72.29	312.00	0.25	-72.04
C[C@@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057829	0	38	0.0	-72.29	312.00	0.25	-72.04
O=C(C[NH+]1CCC1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057847	1	36	0.0	-66.02	304.02	0.26	-65.76
C[C@H](C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005057858	0	38	0.0	-72.02	311.87	0.32	-71.70
CC1C[NH+](CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005057865	1	39	0.0	-74.91	325.16	0.94	-73.97
C[N@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057876	1	39	0.0	-67.35	322.00	-2.73	-70.08
C[N@@H+](CCO)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057876	1	39	0.0	-75.34	321.76	-2.73	-78.07
CC[N@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057883	0	38	0.0	-74.62	311.62	0.52	-74.10
CC[N@@H+](C)CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057883	1	38	0.0	-65.88	311.65	0.51	-65.37
C[NH+](C)CC=CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057901	0	39	0.0	-71.41	329.88	1.06	-70.35
CC[N@@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057907	1	39	0.0	-63.67	318.72	0.56	-63.11
CC[N@H+]1CCC1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057907	1	39	0.0	-73.58	325.37	0.90	-72.68
C[NH+](C)C(C)(C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057921	0	41	0.0	-77.94	321.36	0.98	-76.96
C[NH+](C)C1(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005057944	0	39	0.0	-78.30	317.70	0.87	-77.43
CC(C[NH+](C)C)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057966	0	41	0.0	-68.22	332.38	1.13	-67.09
CC1CC[N@@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057977	1	39	0.0	-64.80	319.57	0.73	-64.07
CC1CC[N@H+]1CC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057977	1	39	0.0	-73.56	325.04	1.00	-72.56
NC(=[NH2+])SCC(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005057999	0	33	0.0	-66.81	302.45	-3.28	-70.09
C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058031	0	39	0.0	-70.48	319.38	0.89	-69.59
C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058031	1	39	0.0	-74.21	313.79	0.47	-73.74
C[N@@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058142	0	39	0.0	-64.62	318.90	0.87	-63.75
C[N@H+]1CCCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058142	1	39	0.0	-61.66	321.29	0.98	-60.68
CCC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058214	0	41	0.0	-65.73	326.63	1.14	-64.59
CCC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058218	0	41	0.0	-64.26	335.07	1.38	-62.88
CCC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058218	1	41	0.0	-64.44	335.07	1.36	-63.08
CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058235	0	41	0.0	-68.89	335.86	1.26	-67.63
CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058235	1	41	0.0	-68.92	335.86	1.26	-67.66
CC[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058276	0	41	0.0	-64.07	325.71	1.01	-63.06
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058322	0	39	0.0	-60.90	314.89	0.44	-60.46
C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058322	1	39	0.0	-64.21	317.13	0.90	-63.31
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058376	0	38	0.0	-64.98	314.12	0.37	-64.61
C[N@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058386	1	39	0.0	-67.36	323.85	-2.54	-69.90
C[N@@H+](CCO)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058386	1	39	0.0	-64.23	323.70	-2.60	-66.83
CC1C[NH+](CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058402	1	39	0.0	-64.13	327.10	1.13	-63.00
CC[N@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058420	0	38	0.0	-64.03	313.57	0.63	-63.40
CC[N@@H+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058420	1	38	0.0	-66.49	313.49	0.70	-65.79
CC(C[NH+](C)C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058453	0	41	0.0	-69.91	335.66	1.19	-68.72
C[NH+](C)C1(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL250005058456	0	39	0.0	-68.63	321.24	0.94	-67.69
C[C@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058460	0	38	0.0	-61.90	313.51	0.33	-61.57
CC[N@@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058463	1	39	0.0	-64.95	315.91	0.66	-64.29
CC[N@H+]1CCC1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058463	1	39	0.0	-66.26	327.53	0.98	-65.28
C[NH+](C)C(C)(C)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058472	0	41	0.0	-66.18	317.08	1.05	-65.13
C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058534	0	39	0.0	-61.04	320.58	0.92	-60.12
C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058534	1	39	0.0	-66.42	314.96	0.46	-65.96
C[N@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058571	0	39	0.0	-64.09	325.05	1.44	-62.65
C[N@@H+](CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1CC1	REAL250005058571	1	39	0.0	-64.45	325.18	1.44	-63.01
C[NH+]1CC(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL250005058599	0	39	0.0	-69.03	327.05	0.86	-68.17
C[NH+](C)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058602	0	35	0.0	-67.55	295.77	0.03	-67.52
C[C@@H](C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058605	0	38	0.0	-64.98	314.12	0.37	-64.61
CC1CC[N@@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058614	1	39	0.0	-62.48	321.53	0.84	-61.64
CC1CC[N@H+]1CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058614	1	39	0.0	-63.51	327.19	1.07	-62.44
C[NH+](C)CC=CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058615	0	39	0.0	-72.99	332.91	1.19	-71.80
CC[NH+](CC)CC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058621	0	41	0.0	-65.41	327.40	1.05	-64.36
O=C(C[NH+]1CCC1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005058622	1	36	0.0	-67.40	306.09	0.44	-66.96
CC(C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+]1CCC1	REAL250005058645	1	39	0.0	-65.51	317.79	0.66	-64.85
C[NH+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058787	0	38	0.0	-72.28	315.18	0.46	-71.82
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058792	0	41	0.0	-69.85	332.93	0.96	-68.89
C[C@@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058805	0	41	0.0	-69.85	332.93	0.96	-68.89
O=C(C[NH+]1CCC1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058813	1	39	0.0	-72.03	325.31	0.89	-71.14
C[C@H](C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058818	0	41	0.0	-70.60	333.35	0.86	-69.74
CC[N@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058830	0	41	0.0	-71.64	332.76	1.21	-70.43
CC[N@@H+](C)CC(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005058830	1	41	0.0	-71.52	332.91	1.14	-70.38
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005058994	0	41	0.0	-67.13	335.36	0.99	-66.14
CC[N@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059013	0	41	0.0	-67.91	334.85	1.34	-66.57
CC[N@@H+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059013	1	41	0.0	-67.86	334.85	1.34	-66.52
C[C@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059026	0	41	0.0	-67.10	334.51	1.04	-66.06
C[NH+](C)CC(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059082	0	38	0.0	-68.83	317.12	0.65	-68.18
C[C@@H](C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059085	0	41	0.0	-67.13	335.36	0.99	-66.14
O=C(C[NH+]1CCC1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL250005059092	1	39	0.0	-68.62	327.40	1.04	-67.58
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059145	0	39	0.0	-69.45	313.34	2.62	-66.83
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL250005059230	0	39	0.0	-69.45	313.34	2.62	-66.83
C[NH+](C)CC(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005059333	0	38	0.0	-75.03	308.97	0.61	-74.42
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059338	0	41	0.0	-73.37	327.08	1.00	-72.37
C[C@@H](C(=O)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005059351	0	41	0.0	-73.37	327.08	1.00	-72.37
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CCC(CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005060396	0	43	0.0	-60.83	340.30	0.49	-60.34
CCC(CNC(=O)C[N@H+](C)CC)NC(=O)C1=CC(=O)[N-]O1	REAL250005060408	0	43	0.0	-62.36	339.87	0.76	-61.60
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CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005060561	0	43	0.0	-60.28	340.28	0.47	-59.81
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)CC	REAL250005060580	0	43	0.0	-62.83	339.87	0.74	-62.09
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CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005060593	0	43	0.0	-60.26	340.31	0.47	-59.79
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005060644	0	40	0.0	-63.60	322.14	0.08	-63.52
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005060647	0	43	0.0	-60.28	340.28	0.47	-59.81
CCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005060654	1	41	0.0	-63.29	332.24	0.49	-62.80
C[NH+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005060823	0	41	0.0	-70.75	329.32	1.44	-69.31
C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005060904	0	41	0.0	-74.67	325.88	1.34	-73.33
CC(CNC(=O)C[NH+](C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061004	0	40	0.0	-71.74	326.91	-0.03	-71.77
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061009	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061022	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C[NH+]1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061030	1	41	0.0	-71.59	337.00	0.40	-71.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)[NH+](C)C	REAL250005061035	0	43	0.0	-69.69	345.04	0.39	-69.30
CC[N@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061047	0	43	0.0	-70.97	344.64	0.64	-70.33
CC[N@@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061047	1	43	0.0	-71.02	344.63	0.65	-70.37
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061200	0	43	0.0	-69.69	345.01	0.37	-69.32
CC[N@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061219	0	43	0.0	-70.97	344.64	0.64	-70.33
CC[N@@H+](C)CC(=O)NCC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061219	1	43	0.0	-71.02	344.63	0.65	-70.37
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@@H](C)[NH+](C)C	REAL250005061232	0	43	0.0	-69.69	345.04	0.39	-69.30
CC(CNC(=O)C[NH+](C)C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061283	0	40	0.0	-71.74	326.91	-0.03	-71.77
CC(CNC(=O)C1=CC(=O)[N-]O1)CNC(=O)[C@H](C)[NH+](C)C	REAL250005061286	0	43	0.0	-69.69	345.01	0.37	-69.32
CC(CNC(=O)C[NH+]1CCC1)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061293	1	41	0.0	-71.59	337.00	0.40	-71.19
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+](C)C	REAL250005061474	0	40	0.0	-62.42	321.63	1.34	-61.08
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005061479	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@H](C)[NH+](C)C	REAL250005061492	0	43	0.0	-58.08	337.16	1.70	-56.38
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+]1CCC1	REAL250005061500	1	41	0.0	-62.52	331.71	1.76	-60.76
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)[C@@H](C)[NH+](C)C	REAL250005061505	0	43	0.0	-62.31	337.90	1.72	-60.59
CC[N@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061517	0	43	0.0	-61.09	339.37	1.99	-59.10
CC[N@@H+](C)CC(=O)N(C)C(C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005061517	1	43	0.0	-61.08	339.37	1.98	-59.10
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061670	0	43	0.0	-56.24	336.53	1.71	-54.53
CC[N@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061689	0	43	0.0	-57.31	336.67	1.95	-55.36
CC[N@@H+](C)CC(=O)NCC(C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061689	1	43	0.0	-57.31	336.67	1.95	-55.36
CC(CNC(=O)[C@@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061702	0	43	0.0	-57.46	337.23	1.65	-55.81
CC(CNC(=O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061753	0	40	0.0	-59.56	318.99	1.27	-58.29
CC(CNC(=O)[C@H](C)[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061756	0	43	0.0	-56.24	336.53	1.71	-54.53
CC(CNC(=O)C[NH+]1CCC1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005061763	1	41	0.0	-57.68	329.04	1.70	-55.98
CC(C)C(CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005061895	0	43	0.0	-63.56	337.46	0.88	-62.68
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005061970	0	43	0.0	-63.94	342.20	0.86	-63.08
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005062070	0	40	0.0	-74.02	321.67	2.47	-71.55
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062075	0	43	0.0	-72.05	336.17	2.78	-69.27
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062088	0	43	0.0	-72.05	336.17	2.78	-69.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005062096	1	41	0.0	-69.92	332.03	2.90	-67.02
C[C@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062101	0	43	0.0	-72.19	338.04	2.83	-69.36
CC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062113	0	43	0.0	-69.42	339.67	3.15	-66.27
CC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062113	1	43	0.0	-73.41	339.39	3.10	-70.31
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062266	0	43	0.0	-72.05	336.17	2.78	-69.27
CC[N@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062285	0	43	0.0	-69.42	339.67	3.15	-66.27
CC[N@@H+](C)CC(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005062285	1	43	0.0	-73.41	339.39	3.10	-70.31
C[C@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062298	0	43	0.0	-72.19	338.04	2.83	-69.36
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005062349	0	40	0.0	-74.02	321.67	2.47	-71.55
C[C@@H](C(=O)N(C)CCN(C)C(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005062352	0	43	0.0	-72.05	336.17	2.78	-69.27
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+]1CCC1	REAL250005062359	1	41	0.0	-69.92	332.03	2.90	-67.02
C[NH+](C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062490	0	38	0.0	-71.12	320.57	-4.11	-75.23
C[NH+](C)CC(=O)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL250005062709	0	38	0.0	-71.12	320.57	-4.11	-75.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005062823	0	40	0.0	-67.52	329.74	0.13	-67.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005062828	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005062841	0	43	0.0	-66.47	347.85	0.54	-65.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005062849	1	41	0.0	-67.39	339.84	0.55	-66.84
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005062854	0	43	0.0	-66.42	347.88	0.55	-65.87
CC[N@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062866	0	43	0.0	-66.71	347.47	0.80	-65.91
CC[N@@H+](C)CC(=O)NC(C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005062866	1	43	0.0	-66.66	347.47	0.80	-65.86
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063019	0	43	0.0	-70.17	347.64	0.54	-69.63
CC[N@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063038	0	43	0.0	-71.90	347.47	0.80	-71.10
CC[N@@H+](C)CC(=O)NCCC(C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063038	1	43	0.0	-71.87	347.47	0.80	-71.07
CC(CCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063051	0	43	0.0	-71.18	347.88	0.56	-70.62
CC(CCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063102	0	40	0.0	-72.39	329.74	0.14	-72.25
CC(CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005063105	0	43	0.0	-70.17	347.64	0.54	-69.63
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CC(=O)NCC[NH+]1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068242	0	41	0.0	-78.31	330.90	-0.03	-78.34
CC(=O)NC1CC[NH+](CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL250005068243	0	41	0.0	-74.91	331.04	0.00	-74.91
C[NH+](C)CC(=O)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068398	0	41	0.0	-65.43	331.37	0.57	-64.86
C[NH+](C)CC(=O)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL250005068474	0	41	0.0	-64.93	331.23	0.59	-64.34
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005068567	0	43	0.0	-71.35	343.44	3.24	-68.11
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[NH+](C)C	REAL250005068642	0	43	0.0	-71.35	343.44	3.24	-68.11
C[NH+](C)CC(=O)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005068718	0	41	0.0	-73.69	325.31	1.48	-72.21
C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005068799	0	41	0.0	-74.39	322.42	1.33	-73.06
CC1CN(C(=O)C[NH+](C)C)CC1NC(=O)C1=CC(=O)[N-]O1	REAL250005068836	0	41	0.0	-63.80	328.98	1.69	-62.11
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[NH+](C)C	REAL250005068917	0	41	0.0	-71.80	328.68	1.19	-70.61
C[C@@H](CCNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069064	0	40	0.0	-72.45	329.74	0.13	-72.32
C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069069	0	43	0.0	-70.23	347.91	0.54	-69.69
C[C@@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069082	0	43	0.0	-70.23	347.91	0.54	-69.69
C[C@@H](CCNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005069090	1	41	0.0	-72.70	339.84	0.56	-72.14
C[C@H](C(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005069095	0	43	0.0	-71.21	347.91	0.53	-70.68
CC[N@H+](C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069107	0	43	0.0	-71.92	347.47	0.80	-71.12
CC[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005069107	1	43	0.0	-71.84	347.47	0.80	-71.04
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005069260	0	43	0.0	-66.47	347.85	0.54	-65.93
CC[N@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069279	0	43	0.0	-66.70	347.47	0.81	-65.89
CC[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL250005069279	1	43	0.0	-66.76	347.47	0.80	-65.96
C[C@H](C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005069292	0	43	0.0	-64.78	347.88	0.55	-64.23
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005069343	0	40	0.0	-67.51	329.74	0.13	-67.38
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005069346	0	43	0.0	-66.47	347.85	0.54	-65.93
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CCC1	REAL250005069353	1	41	0.0	-67.12	339.84	0.55	-66.57
CCN(C(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005069411	0	41	0.0	-65.33	321.05	3.54	-61.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005069492	0	41	0.0	-59.53	318.26	3.54	-55.99
C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069691	0	41	0.0	-67.67	331.03	0.60	-67.07
C[NH+](C)CC(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005069772	0	41	0.0	-67.67	331.03	0.60	-67.07
C[NH+](C)CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005069867	0	39	0.0	-74.73	319.07	1.20	-73.53
C[NH+](C)CC(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005069952	0	39	0.0	-69.55	315.28	1.08	-68.47
C[C@H](CNC(=O)C1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070075	0	41	0.0	-59.98	328.32	0.01	-59.97
C[C@H](CNC(=O)C1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070075	1	41	0.0	-61.80	328.29	0.02	-61.78
CCC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070175	0	43	0.0	-61.16	339.01	0.42	-60.74
CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070180	0	43	0.0	-62.26	347.52	0.87	-61.39
CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070180	1	43	0.0	-62.21	347.52	0.87	-61.34
C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070188	0	41	0.0	-59.91	333.36	0.53	-59.38
C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070188	1	41	0.0	-61.83	328.24	0.02	-61.81
CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070193	0	43	0.0	-60.46	339.88	0.56	-59.90
CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070249	0	43	0.0	-63.54	348.39	0.70	-62.84
CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070249	1	43	0.0	-63.62	348.39	0.70	-62.92
CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070252	0	43	0.0	-59.76	338.94	0.46	-59.30
C[C@H](CNC(=O)C[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070270	0	37	0.0	-62.94	308.30	-0.54	-63.48
CC(C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1)[NH+]1CCC1	REAL250005070274	1	41	0.0	-59.78	336.50	0.53	-59.25
C[C@H](CNC(=O)C[N@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070280	0	41	0.0	-59.67	337.56	0.86	-58.81
C[C@H](CNC(=O)C[N@@H+](C)C1CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070280	1	41	0.0	-59.83	337.57	0.87	-58.96
C[C@H](CNC(=O)CC1C[NH+](C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070286	0	41	0.0	-63.80	339.73	0.30	-63.50
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070293	0	40	0.0	-60.43	326.19	-0.12	-60.55
C[C@H](CNC(=O)[C@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070313	0	40	0.0	-60.43	326.19	-0.12	-60.55
C[C@H](CNC(=O)C[NH+]1CCC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070331	1	38	0.0	-62.40	318.39	-0.12	-62.52
C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070342	0	40	0.0	-61.37	326.43	-0.11	-61.48
C[C@H](CNC(=O)C[NH+]1CC(C)C1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070348	1	41	0.0	-61.98	339.56	0.57	-61.41
CC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070365	0	40	0.0	-61.90	326.02	0.13	-61.77
CC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070365	1	40	0.0	-61.82	326.02	0.14	-61.68
C[C@H](CNC(=O)C=CC[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070381	0	41	0.0	-66.53	345.52	0.71	-65.82
CC[N@@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070387	1	41	0.0	-60.23	332.86	0.13	-60.10
CC[N@H+]1CCC1C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070387	1	41	0.0	-60.66	339.92	0.49	-60.17
C[C@H](CNC(=O)C(C)(C)[NH+](C)C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070400	0	43	0.0	-60.60	335.76	0.63	-59.97
C[C@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL250005070422	0	41	0.0	-61.28	337.08	0.71	-60.57
CC(C[NH+](C)C)C(=O)NC[C@@H](C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070444	0	43	0.0	-63.57	346.70	0.72	-62.85
C[C@H](CNC(=O)C[N@@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070453	1	41	0.0	-60.57	339.63	0.55	-60.02
C[C@H](CNC(=O)C[N@H+]1CCC1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070453	1	41	0.0	-60.29	334.08	0.28	-60.01
C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070503	0	41	0.0	-59.97	328.27	0.02	-59.95
C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)C1=CC(=O)[N-]O1	REAL250005070503	1	41	0.0	-59.72	334.09	0.49	-59.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@@H+]1C	REAL250005070609	0	41	0.0	-59.87	328.29	0.01	-59.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1CCC[N@H+]1C	REAL250005070609	1	41	0.0	-59.58	333.98	0.42	-59.16
CCC(C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070678	0	43	0.0	-59.74	338.95	0.45	-59.29
CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070682	0	43	0.0	-63.30	347.52	0.87	-62.43
CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070682	1	43	0.0	-63.23	347.52	0.87	-62.36
CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070699	0	43	0.0	-64.46	348.39	0.67	-63.79
CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070699	1	43	0.0	-64.53	348.39	0.65	-63.88
CC[C@@H](C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1)[NH+](C)C	REAL250005070739	0	43	0.0	-59.54	338.71	0.45	-59.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL250005070785	0	41	0.0	-60.97	333.33	0.52	-60.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H]1CCC[N@H+]1C	REAL250005070785	1	41	0.0	-63.85	328.25	0.01	-63.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005070838	0	40	0.0	-60.51	326.47	-0.15	-60.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+]1CC(C)C1	REAL250005070862	1	41	0.0	-63.08	338.38	0.61	-62.47
CC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070880	0	40	0.0	-62.94	326.03	0.13	-62.81
CC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070880	1	40	0.0	-62.85	326.03	0.12	-62.73
CC(C[NH+](C)C)C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070910	0	43	0.0	-64.86	346.70	0.72	-64.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1([NH+](C)C)CC1	REAL250005070913	0	41	0.0	-64.43	331.36	0.66	-63.77
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H](C)[NH+](C)C	REAL250005070917	0	40	0.0	-62.72	326.43	-0.13	-62.85
CC[N@@H+]1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070920	1	41	0.0	-62.06	339.93	0.42	-61.64
CC[N@H+]1CCC1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005070920	1	41	0.0	-61.72	339.96	0.47	-61.25
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[NH+](C)C	REAL250005070928	0	43	0.0	-64.68	335.76	0.62	-64.06
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL250005070987	0	41	0.0	-59.89	328.30	0.01	-59.88
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL250005070987	1	41	0.0	-60.16	334.10	0.49	-59.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@H+](C)C1CC1	REAL250005071024	0	41	0.0	-60.77	337.70	0.86	-59.91
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N@@H+](C)C1CC1	REAL250005071024	1	41	0.0	-61.21	337.70	0.86	-60.35
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1C[NH+](C)C1	REAL250005071052	0	41	0.0	-63.64	339.74	0.27	-63.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[NH+](C)C	REAL250005071055	0	37	0.0	-63.83	308.30	-0.55	-64.38
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)[C@H](C)[NH+](C)C	REAL250005071058	0	40	0.0	-60.51	326.47	-0.15	-60.66
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=CC[NH+](C)C	REAL250005071066	0	41	0.0	-66.51	344.26	0.68	-65.83
CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL250005071072	0	43	0.0	-61.34	339.88	0.53	-60.81
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CC[N@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071310	0	41	0.0	-70.96	323.44	2.22	-68.74
CC[N@@H+](C)CC(=O)N1CC(N(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071310	1	41	0.0	-70.93	323.44	2.23	-68.70
C[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071474	0	41	0.0	-72.15	322.13	1.88	-70.27
CC[N@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071493	0	41	0.0	-65.96	323.84	2.99	-62.97
CC[N@@H+](C)CC(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071493	1	41	0.0	-66.49	323.47	3.09	-63.40
C[C@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071506	0	41	0.0	-64.60	322.46	2.71	-61.89
CN(C(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071562	0	38	0.0	-67.15	306.17	2.31	-64.84
C[C@@H](C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071565	0	41	0.0	-72.15	322.13	1.88	-70.27
CN(C(=O)C[NH+]1CCC1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071572	1	39	0.0	-66.37	316.27	2.72	-63.65
CC(CNC(=O)C[NH+](C)C)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL250005071623	0	43	0.0	-69.82	338.28	1.77	-68.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[NH+](C)C	REAL250005071698	0	43	0.0	-70.81	340.78	1.85	-68.96
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071744	0	41	0.0	-52.45	312.04	2.84	-49.61
C[NH+](C)CC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL250005071825	0	41	0.0	-52.45	312.04	2.84	-49.61
C[NH+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071920	0	38	0.0	-65.48	310.17	0.26	-65.22
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071925	0	41	0.0	-65.42	328.24	0.66	-64.76
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071935	0	41	0.0	-65.42	328.24	0.66	-64.76
CC1(NC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071942	1	39	0.0	-65.15	320.43	0.75	-64.40
C[C@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005071947	0	41	0.0	-61.82	328.30	0.76	-61.06
CC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071956	0	41	0.0	-64.48	327.91	0.94	-63.54
CC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005071956	1	41	0.0	-65.14	327.87	1.01	-64.13
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005072110	0	41	0.0	-62.39	330.29	0.83	-61.56
CC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072129	0	41	0.0	-61.92	329.90	1.12	-60.80
CC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072129	1	41	0.0	-61.91	330.13	1.12	-60.79
C[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005072142	0	41	0.0	-59.71	329.63	0.84	-58.87
C[NH+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005072198	0	38	0.0	-62.96	312.39	0.45	-62.51
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005072201	0	41	0.0	-62.39	330.29	0.83	-61.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL250005072208	1	39	0.0	-62.21	322.27	0.87	-61.34
CC(CCNC(=O)C[NH+](C)C)N(C)C(=O)C1=CC(=O)[N-]O1	REAL250005072326	0	43	0.0	-73.70	340.58	1.95	-71.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[NH+](C)C	REAL250005072396	0	43	0.0	-66.19	343.22	2.03	-64.16
C[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072466	0	41	0.0	-69.75	315.94	2.56	-67.19
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005072542	0	41	0.0	-69.43	316.27	2.66	-66.77
C[NH+](C)CC(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072593	0	41	0.0	-75.00	325.71	1.32	-73.68
C[NH+](C)CC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005072669	0	41	0.0	-70.63	329.36	1.43	-69.20
C[C@@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072708	0	41	0.0	-69.27	311.92	2.25	-67.02
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005072784	0	41	0.0	-68.75	312.01	2.31	-66.44
CC1CN(C(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005072979	0	41	0.0	-69.90	316.24	2.67	-67.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005073055	0	41	0.0	-68.46	311.92	2.26	-66.20
C[C@@H](NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005073445	0	41	0.0	-71.16	334.49	1.23	-69.93
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005073526	0	41	0.0	-70.84	330.29	1.13	-69.71
C[C@@H]1[C@@H](NC(=O)C[NH+](C)C)CCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073563	0	41	0.0	-72.91	325.96	1.34	-71.57
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[NH+](C)C	REAL250005073639	0	41	0.0	-70.86	328.78	1.43	-69.43
C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL250005073742	0	41	0.0	-74.67	325.88	1.34	-73.33
C[NH+](C)CC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL250005073818	0	41	0.0	-70.75	329.32	1.44	-69.31
C[NH+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074074	0	38	0.0	-65.48	310.17	0.26	-65.22
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074079	0	41	0.0	-65.42	328.24	0.66	-64.76
C[C@@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074089	0	41	0.0	-65.42	328.24	0.66	-64.76
CC1(NC(=O)C[NH+]2CCC2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074096	1	39	0.0	-65.15	320.43	0.75	-64.40
C[C@H](C(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074101	0	41	0.0	-61.82	328.30	0.76	-61.06
CC[N@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074110	0	41	0.0	-64.48	327.91	0.94	-63.54
CC[N@@H+](C)CC(=O)NC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074110	1	41	0.0	-65.14	327.87	1.01	-64.13
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074264	0	41	0.0	-62.39	330.29	0.83	-61.56
CC[N@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074283	0	41	0.0	-61.92	329.90	1.12	-60.80
CC[N@@H+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074283	1	41	0.0	-61.91	330.13	1.12	-60.79
C[C@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074296	0	41	0.0	-59.71	329.63	0.84	-58.87
C[NH+](C)CC(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005074352	0	38	0.0	-62.96	312.39	0.45	-62.51
C[C@@H](C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1)[NH+](C)C	REAL250005074355	0	41	0.0	-62.39	330.29	0.83	-61.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[NH+]2CCC2)C1	REAL250005074362	1	39	0.0	-62.21	322.27	0.87	-61.34
C[C@H](NC(=O)C[NH+](C)C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005074455	0	41	0.0	-73.96	335.89	1.28	-72.68
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[NH+](C)C)C1	REAL250005074536	0	41	0.0	-73.58	337.77	1.38	-72.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](C)C	REAL250005074661	0	41	0.0	-65.31	325.23	1.54	-63.77
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074742	0	41	0.0	-61.08	328.09	1.59	-59.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[NH+](C)C	REAL250005074824	0	41	0.0	-65.31	325.23	1.54	-63.77
C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005074905	0	41	0.0	-61.08	328.09	1.59	-59.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[NH+](C)C	REAL250005074951	0	41	0.0	-70.11	326.06	1.53	-68.58
C[C@H]1CN(C(=O)C[NH+](C)C)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL250005075032	0	41	0.0	-61.10	328.06	1.60	-59.50
C[NH+](C)CC(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005075100	0	39	0.0	-66.38	322.15	-3.00	-69.38
C[NH+](C)CC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005075172	0	39	0.0	-72.08	324.23	-2.89	-74.97
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075312	0	39	0.0	-77.94	323.65	1.90	-76.04
C[NH+](C)CC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005075397	0	39	0.0	-77.94	323.65	1.90	-76.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[NH+](C)C	REAL250005075602	0	41	0.0	-70.31	332.64	2.53	-67.78
CN(CC1CN(C(=O)C[NH+](C)C)C1)C(=O)C1=CC(=O)[N-]O1	REAL250005075683	0	41	0.0	-61.99	330.56	2.64	-59.35
CC1CC(NC(=O)C[NH+](C)C)CN1C(=O)C1=CC(=O)[N-]O1	REAL250005076075	0	41	0.0	-72.92	325.95	1.35	-71.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[NH+](C)C	REAL250005076151	0	41	0.0	-62.23	329.00	1.42	-60.81
CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076184	1	38	0.0	-79.03	294.37	-0.02	-79.05
CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076184	1	38	0.0	-79.50	293.96	-0.04	-79.54
C=CC(=O)N1CC[N@@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076186	1	39	0.0	-74.95	314.64	1.39	-73.56
C=CC(=O)N1CC[N@H+](C)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL250005076186	1	39	0.0	-83.13	311.69	1.88	-81.25
C[NH+](C)CC(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL250005076235	0	39	0.0	-72.24	314.31	1.28	-70.96
C[NH+](C)CC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL250005076320	0	39	0.0	-75.58	317.48	1.42	-74.16
C[NH+](C)CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL250005076393	0	39	0.0	-62.67	314.29	1.62	-61.05
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL250005076475	0	39	0.0	-66.11	318.49	1.73	-64.38
C[NH+](C)CC(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL250005076543	0	39	0.0	-75.24	318.52	1.48	-73.76
C[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL250005076620	0	39	0.0	-71.88	319.55	1.43	-70.45