C[N@H+](CCCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348190	0	45	0.0	-72.41	355.40	0.13	-72.28
C[N@@H+](CCCO)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348190	1	45	0.0	-72.55	355.40	0.13	-72.42
CC(C)(CO)[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348192	1	42	0.0	-67.57	326.89	-0.95	-68.52
CSC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1[NH+](C)C	REAL300024348202	0	39	0.0	-64.54	323.79	1.96	-62.58
C[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300024348204	0	45	0.0	-82.30	377.48	3.22	-79.08
C[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300024348204	1	45	0.0	-74.29	396.67	4.55	-69.74
C[NH+](C)CCOC1=CC(CNC(=O)CSC2=NNC(=O)[N-]2)=CC=N1	REAL300024348205	0	44	0.0	-66.47	379.77	-0.06	-66.53
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300024348242	0	46	0.0	-73.00	379.14	1.15	-71.85
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300024348243	0	46	0.0	-70.90	369.76	1.81	-69.09
C[NH+]1CCC(CCO)(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348297	0	42	0.0	-72.71	332.92	-1.20	-73.91
CC(C)N1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024348315	0	53	0.0	-68.88	394.61	2.49	-66.39
CC(C)[NH+]1CCN(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024348315	1	53	0.0	-65.45	390.87	2.26	-63.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300024348330	0	52	0.0	-73.76	406.94	6.47	-67.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300024348330	1	52	0.0	-73.83	407.05	6.45	-67.38
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348340	0	47	0.0	-72.94	372.69	4.96	-67.98
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348340	1	47	0.0	-71.44	372.96	4.90	-66.54
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300024348358	0	59	0.0	-61.97	414.93	3.86	-58.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300024348358	1	59	0.0	-63.15	409.74	3.77	-59.38
CC1(C[NH+]2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024348360	0	49	0.0	-69.64	366.93	2.60	-67.04
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024348381	0	50	0.0	-64.84	394.72	3.00	-61.84
C[NH+]1CCC(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024348406	0	45	0.0	-70.61	358.99	3.85	-66.76
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348409	1	39	0.0	-75.62	326.17	2.36	-73.26
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024348409	1	39	0.0	-75.59	326.23	2.38	-73.21
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348420	0	45	0.0	-70.11	371.25	4.07	-66.04
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024348420	1	45	0.0	-69.91	376.27	3.91	-66.00
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300024348430	0	48	0.0	-78.57	399.72	2.56	-76.01
CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300024348435	0	50	0.0	-72.21	403.77	3.65	-68.56
CSC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1[NH+]1CCCC1	REAL300024348441	0	43	0.0	-66.56	361.70	3.57	-62.99
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300024348443	0	48	0.0	-61.94	385.47	6.17	-55.77
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300024348443	1	48	0.0	-61.49	386.06	5.99	-55.50
CCCC[N@H+](C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351152	0	43	0.0	-68.42	351.53	2.55	-65.87
CCCC[N@@H+](C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351152	1	43	0.0	-68.50	351.43	2.55	-65.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300024351170	0	51	0.0	-70.27	400.82	5.37	-64.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024351170	1	51	0.0	-70.79	400.89	5.26	-65.53
COCCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](C)CC1	REAL300024351172	0	48	0.0	-65.77	381.31	3.00	-62.77
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300024351212	0	46	0.0	-71.46	348.76	2.08	-69.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300024351212	1	46	0.0	-71.73	348.27	2.04	-69.69
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351249	0	42	0.0	-72.22	355.03	2.05	-70.17
COC1COCCC1[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024351252	1	47	0.0	-67.36	365.86	0.42	-66.94
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1OCC[NH+](C)C	REAL300024351265	0	45	0.0	-68.52	376.40	3.17	-65.35
C[NH+](C)CCN(CC1=CSC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024351266	0	41	0.0	-70.67	356.80	4.09	-66.58
CC1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1C[NH+](C)C	REAL300024351287	0	41	0.0	-69.43	342.56	3.30	-66.13
C[NH+](C)CCOC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1F	REAL300024351288	0	42	0.0	-66.93	362.33	2.48	-64.45
CC1=CC(C[NH+](C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351291	0	41	0.0	-69.70	344.94	3.52	-66.18
C[N@@H+]1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351299	0	42	0.0	-69.57	329.06	1.55	-68.02
C[N@H+]1CC2CCC1C(CNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024351299	1	42	0.0	-69.56	329.25	1.55	-68.01
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300024351337	0	44	0.0	-76.67	365.40	3.95	-72.72
C[NH+](C)CC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C(F)=C1	REAL300024351354	0	38	0.0	-70.32	331.32	2.76	-67.56
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024351367	1	45	0.0	-69.41	359.46	5.06	-64.35
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024351367	1	45	0.0	-69.40	359.34	5.05	-64.35
C[NH+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(N2CCOCC2)CC1	REAL300024351385	0	51	0.0	-71.50	383.24	-0.93	-72.43
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024351386	0	46	0.0	-70.23	384.59	1.82	-68.41
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH2+]C(C2=CC=CC=C2)C1	REAL300024351406	1	39	0.0	-73.98	327.84	2.41	-71.57
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352172	0	48	0.0	-74.02	394.12	5.78	-68.24
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352172	1	48	0.0	-74.07	394.11	5.78	-68.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300024352174	0	47	0.0	-77.90	386.18	2.84	-75.06
CC[N@@H+]1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1C1=CN(C)N=C1	REAL300024352223	0	54	0.0	-66.22	412.09	3.98	-62.24
CC[N@H+]1CCCC(CN(C)C(=O)CSC2=NNC(=O)[N-]2)C1C1=CN(C)N=C1	REAL300024352223	1	54	0.0	-71.18	411.59	4.44	-66.74
CCC(CN(C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352241	0	51	0.0	-67.15	401.22	1.23	-65.92
C[N@H+](CC1=CC=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)SC2=C1)C1CC1	REAL300024352260	0	44	0.0	-76.02	389.38	5.03	-70.99
C[N@@H+](CC1=CC=C2N=C(NC(=O)CSC3=NNC(=O)[N-]3)SC2=C1)C1CC1	REAL300024352260	1	44	0.0	-76.60	389.52	5.04	-71.56
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352264	0	44	0.0	-74.80	366.41	2.02	-72.78
COC1=CC=CC(C[NH+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024352270	0	49	0.0	-73.44	401.12	3.24	-70.20
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](C2CCOCC2)CC1	REAL300024352271	0	46	0.0	-69.71	362.34	1.00	-68.71
CN(CCC[NH+](C)C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352280	0	45	0.0	-69.47	366.90	-0.48	-69.95
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352285	0	50	0.0	-70.82	421.40	7.07	-63.75
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](C2CCOCC2)CC1	REAL300024352286	0	49	0.0	-71.49	378.18	1.48	-70.01
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352304	0	48	0.0	-61.80	387.86	0.66	-61.14
CC(C)(C)[N@@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352345	0	44	0.0	-65.44	347.35	1.71	-63.73
CC(C)(C)[N@H+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352345	1	44	0.0	-65.37	347.68	1.67	-63.70
CC1C[N@H+](C)CC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024352373	1	40	0.0	-74.57	338.80	-0.81	-75.38
CC1C[N@@H+](C)CC(C(=O)NNC(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024352373	1	40	0.0	-76.37	338.26	-1.22	-77.59
CC(C[NH+]1CCC(C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352376	0	44	0.0	-67.59	353.24	2.85	-64.74
O=C(CSC1=NNC(=O)[N-]1)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300024352400	1	51	0.0	-74.09	403.19	3.68	-70.41
CC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300024352405	0	51	0.0	-69.18	386.34	5.80	-63.38
CC(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300024352405	1	51	0.0	-69.00	387.16	5.87	-63.13
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCCCC1	REAL300024352452	0	45	0.0	-67.23	361.13	2.64	-64.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCCCC1	REAL300024352452	1	45	0.0	-67.53	360.63	2.51	-65.02
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352482	0	45	0.0	-73.41	383.95	1.14	-72.27
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCC[N@@H+]1C1CC1	REAL300024352491	0	52	0.0	-71.87	408.01	3.93	-67.94
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)CCC[N@H+]1C1CC1	REAL300024352491	1	52	0.0	-69.67	409.40	4.58	-65.09
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352523	0	42	0.0	-74.74	348.84	-2.63	-77.37
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024352523	1	42	0.0	-71.49	354.77	-2.12	-73.61
COC1=CC=C(C[N@@H+]2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352537	1	46	0.0	-73.15	387.21	2.76	-70.39
COC1=CC=C(C[N@H+]2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1	REAL300024352537	1	46	0.0	-74.40	387.86	2.70	-71.70
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@@H+](C2CCCCC2)C1	REAL300024352543	0	45	0.0	-68.02	356.63	2.79	-65.23
O=C(CSC1=NNC(=O)[N-]1)NC1CC[N@H+](C2CCCCC2)C1	REAL300024352543	1	45	0.0	-67.55	355.32	2.63	-64.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300024352569	0	43	0.0	-70.34	342.97	-0.16	-70.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300024352569	1	43	0.0	-70.17	341.75	-0.27	-70.44
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352586	1	51	0.0	-71.65	400.92	6.90	-64.75
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352586	1	51	0.0	-71.23	392.24	5.93	-65.30
CC1CCCC(CC[NH+](C)C)N1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352597	0	47	0.0	-60.43	353.58	3.75	-56.68
O=C(CSC1=NNC(=O)[N-]1)NC1CC[NH+](C2CCOC2)CC1	REAL300024352603	0	43	0.0	-70.55	346.22	0.36	-70.19
CC(C)(CC[NH+]1CCOCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352644	1	45	0.0	-73.78	352.94	0.37	-73.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1CC1=CC=CC=C1	REAL300024352654	1	42	0.0	-69.14	352.53	3.67	-65.47
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300024352654	1	42	0.0	-68.90	352.38	3.54	-65.36
CCC[N@H+](C)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352712	0	43	0.0	-69.08	334.75	2.78	-66.30
CCC[N@@H+](C)CC(C)(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024352712	1	43	0.0	-68.86	335.43	2.81	-66.05
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024352744	0	51	0.0	-63.44	418.48	3.86	-59.58
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024352744	1	51	0.0	-69.07	418.40	3.47	-65.60
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352790	0	49	0.0	-60.01	372.92	3.07	-56.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[NH+](CC2CC2)CC1	REAL300024352793	0	45	0.0	-69.69	364.20	3.29	-66.40
C[NH+](C)CCCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024352829	0	45	0.0	-67.33	364.31	2.28	-65.05
CC(C[NH+](C)C)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352833	0	47	0.0	-64.38	350.87	4.00	-60.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300024352835	1	47	0.0	-69.11	372.66	1.90	-67.21
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300024352836	0	52	0.0	-72.22	419.79	5.42	-66.80
O=C(CSC1=NNC(=O)[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300024352836	1	52	0.0	-73.49	417.36	5.45	-68.04
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352841	1	50	0.0	-72.15	396.34	2.09	-70.06
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024352841	1	50	0.0	-71.55	403.75	2.54	-69.01
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352842	0	54	0.0	-64.67	405.85	6.69	-57.98
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024352842	1	54	0.0	-64.54	405.71	6.71	-57.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@H+](CC2CC2)C1	REAL300024352849	0	45	0.0	-66.52	359.07	3.25	-63.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC[N@@H+](CC2CC2)C1	REAL300024352849	1	45	0.0	-69.16	356.82	2.80	-66.36
CC(C)C[NH2+]C1(CO)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352862	0	48	0.0	-73.77	368.99	-0.39	-74.16
C[NH+](C)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C12CCC2	REAL300024352869	0	42	0.0	-68.56	337.05	2.25	-66.31
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300024352885	0	41	0.0	-67.98	363.50	1.90	-66.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC([NH+]2CCOCC2)CC1	REAL300024352911	0	43	0.0	-70.54	337.74	1.50	-69.04
C[NH+]1CCC2(CC1)CN(C(=O)CSC1=NNC(=O)[N-]1)CC1=CC=CC=C12	REAL300024352918	0	49	0.0	-65.70	379.60	5.73	-59.97
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH2+]C(CC2=CC=C(F)C=C2)C1	REAL300024352924	0	42	0.0	-78.29	355.03	3.20	-75.09
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352932	0	49	0.0	-64.06	393.07	2.83	-61.23
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352932	1	49	0.0	-64.32	394.07	2.96	-61.36
C[NH+]1CC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C1	REAL300024352949	0	42	0.0	-64.78	334.36	2.43	-62.35
C[NH+]1CCC(CNC(=O)CSC2=NNC(=O)[N-]2)(C2=CC=CC=C2)CC1	REAL300024352952	0	48	0.0	-70.80	379.03	4.13	-66.67
C[NH+](C)CC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352969	0	42	0.0	-68.04	328.73	0.49	-67.55
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024352970	1	42	0.0	-77.72	348.79	1.68	-76.04
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CC=CC=C1	REAL300024352971	1	43	0.0	-71.79	352.15	4.69	-67.10
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CC=CC=C1	REAL300024352971	1	43	0.0	-72.89	354.68	4.85	-68.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CCCCCO)CC1	REAL300024352972	1	45	0.0	-72.85	364.15	0.49	-72.36
CC(C)[NH+]1CCC(CCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024352979	0	47	0.0	-66.05	365.91	2.58	-63.47
CC1=CC=CC(C[N@@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024352984	0	45	0.0	-71.70	376.88	3.98	-67.72
CC1=CC=CC(C[N@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024352984	1	45	0.0	-71.73	376.99	4.02	-67.71
O=C(CSC1=NNC(=O)[N-]1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300024352988	0	51	0.0	-69.77	411.75	5.20	-64.57
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH2+]C(C2=CC=C(O)C=C2)C1	REAL300024353003	1	40	0.0	-78.06	338.85	-0.44	-78.50
COC1=CC=CC(CC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[NH2+]2)=C1	REAL300024353005	0	46	0.0	-72.50	378.14	2.44	-70.06
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC[NH+](CCC1)C2	REAL300024353024	0	42	0.0	-70.12	325.85	1.78	-68.34
NC(=O)C[NH+]1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353026	1	39	0.0	-71.96	328.56	-2.74	-74.70
CC12CN(C(=O)CSC3=NNC(=O)[N-]3)CC1(C)C[NH+](CC1=CC=CC=C1)C2	REAL300024353034	0	52	0.0	-76.50	412.05	6.08	-70.42
CC1CC[N@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353037	0	48	0.0	-63.38	382.32	4.42	-58.96
CC1CC[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024353037	1	48	0.0	-65.57	386.48	5.27	-60.30
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300024353159	0	44	0.0	-64.30	384.90	3.99	-60.31
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCCC1	REAL300024353165	0	42	0.0	-67.11	345.16	2.10	-65.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCCC1	REAL300024353165	1	42	0.0	-67.19	341.80	1.99	-65.20
CCC1([NH+]2CCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353186	0	48	0.0	-65.09	346.19	3.42	-61.67
C[NH+](C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300024353195	0	41	0.0	-66.83	377.72	3.95	-62.88
COC1=CC=C(C2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[NH2+]2)C=C1	REAL300024353198	1	43	0.0	-77.33	357.33	1.70	-75.63
COCCN(CC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353215	0	48	0.0	-62.36	380.10	3.09	-59.27
C[NH+]1CCC2(CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024353220	0	45	0.0	-72.49	339.79	3.36	-69.13
CC1([NH+]2CCOCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353223	0	46	0.0	-68.34	343.23	1.41	-66.93
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353231	0	42	0.0	-69.87	342.39	-1.08	-70.95
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353231	1	42	0.0	-69.37	340.66	-1.13	-70.50
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353253	0	48	0.0	-70.98	396.27	4.39	-66.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353253	1	48	0.0	-70.78	391.61	4.25	-66.53
CN1CCN(C2=CC=[NH+]C(NC(=O)CSC3=NNC(=O)[N-]3)=C2)CC1	REAL300024353267	0	43	0.0	-62.13	354.85	-1.04	-63.17
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300024353280	0	51	0.0	-69.97	394.08	5.09	-64.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300024353280	1	51	0.0	-69.83	392.74	5.05	-64.78
CC(C)(C)[N@@H+]1CCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353295	1	42	0.0	-64.43	348.43	-0.27	-64.70
CC(C)(C)[N@H+]1CCC1C(=O)NNC(=O)CSC1=NNC(=O)[N-]1	REAL300024353295	1	42	0.0	-65.01	332.76	-0.85	-65.86
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300024353303	0	43	0.0	-77.40	370.42	4.62	-72.78
C[NH+]1CCC(N2C=C(NC(=O)CSC3=NNC(=O)[N-]3)C=N2)CC1	REAL300024353323	0	42	0.0	-80.25	350.59	1.55	-78.70
O=C(CSC1=NNC(=O)[N-]1)NCC1(CO)COCC[NH2+]1	REAL300024353377	1	37	0.0	-74.57	307.32	-5.94	-80.51
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300024353420	0	48	0.0	-67.15	384.71	4.84	-62.31
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300024353420	1	48	0.0	-65.60	375.54	4.17	-61.43
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300024353430	0	48	0.0	-67.71	380.60	4.17	-63.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300024353430	1	48	0.0	-67.20	384.64	4.85	-62.35
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300024353436	0	48	0.0	-67.86	370.98	2.96	-64.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CC[N@H+]1C1CCCCCC1	REAL300024353436	1	48	0.0	-67.40	364.76	2.56	-64.84
CN1CC[NH+](C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)CC1	REAL300024353438	0	47	0.0	-68.69	362.92	1.35	-67.34
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353448	1	49	0.0	-71.40	391.73	2.56	-68.84
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353448	1	49	0.0	-71.62	400.71	3.04	-68.58
C[NH+](C)C1(C)CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353456	0	44	0.0	-67.86	330.28	1.95	-65.91
C[NH+](C)CC1=C2CN(C(=O)CSC3=NNC(=O)[N-]3)CCN2N=C1	REAL300024353479	0	42	0.0	-69.67	351.73	2.04	-67.63
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024353515	0	45	0.0	-71.52	376.89	3.99	-67.53
CC1=CC=C(C[N@H+]2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1	REAL300024353515	1	45	0.0	-71.76	376.64	3.98	-67.78
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353519	0	46	0.0	-69.39	371.96	2.36	-67.03
C[NH+](C)CC1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024353562	0	39	0.0	-67.52	322.37	-0.78	-68.30
O=C(CSC1=NNC(=O)[N-]1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300024353567	1	46	0.0	-73.05	372.44	4.67	-68.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1[NH+]1CCC(O)CC1	REAL300024353570	0	46	0.0	-67.41	358.08	0.77	-66.64
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353580	0	51	0.0	-66.94	402.51	6.52	-60.42
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353580	1	51	0.0	-61.52	382.88	5.99	-55.53
CC[NH+]1CCN(C2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2F)CC1	REAL300024353585	0	47	0.0	-73.35	387.81	2.80	-70.55
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353586	0	50	0.0	-63.48	384.87	5.19	-58.29
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300024353634	0	45	0.0	-68.44	367.78	4.50	-63.94
C[N@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCOCCO	REAL300024353677	0	42	0.0	-69.99	355.53	-3.19	-73.18
C[N@@H+](CCNC(=O)CSC1=NNC(=O)[N-]1)CCOCCO	REAL300024353677	1	42	0.0	-70.45	355.55	-3.19	-73.64
CC1([NH+]2CCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353686	0	42	0.0	-66.80	321.85	2.56	-64.24
CN(CCCC[NH+]1CCCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353697	0	47	0.0	-65.43	373.99	4.68	-60.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300024353698	0	51	0.0	-73.15	401.10	-0.54	-73.69
O=C(CSC1=NNC(=O)[N-]1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300024353698	1	51	0.0	-73.08	401.11	-0.55	-73.63
CC(C)(C)OCCC[NH+]1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353719	1	51	0.0	-71.48	399.10	3.41	-68.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300024353723	0	48	0.0	-68.37	383.25	2.99	-65.38
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300024353723	1	48	0.0	-68.48	387.54	3.13	-65.35
C[NH+]1CCN(C2=CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)C=C2)CC1	REAL300024353736	0	47	0.0	-71.93	386.06	1.94	-69.99
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353740	0	49	0.0	-70.11	365.19	0.36	-69.75
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300024353747	0	52	0.0	-70.13	417.02	2.03	-68.10
CCC1([NH+]2CCCCC2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024353748	0	51	0.0	-64.42	366.57	4.53	-59.89
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353787	0	55	0.0	-73.88	417.77	4.56	-69.32
C[C@@H]1C[N@H+](CCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353787	1	55	0.0	-74.09	424.01	4.55	-69.54
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353788	0	52	0.0	-73.64	396.05	3.98	-69.66
C[C@@H]1C[N@H+](CC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C[C@H](C)O1	REAL300024353788	1	52	0.0	-73.20	402.37	3.95	-69.25
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353810	0	51	0.0	-61.77	384.58	5.97	-55.80
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024353810	1	51	0.0	-66.82	402.08	6.50	-60.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300024353818	0	46	0.0	-72.13	359.89	0.82	-71.31
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL300024353825	0	40	0.0	-71.05	322.19	-0.61	-71.66
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL300024353825	1	40	0.0	-65.91	316.30	-1.26	-67.17
O=C(CSC1=NNC(=O)[N-]1)NCCC[N@@H+]1CCCOCC1	REAL300024357162	0	42	0.0	-70.08	339.98	0.12	-69.96
O=C(CSC1=NNC(=O)[N-]1)NCCC[N@H+]1CCCOCC1	REAL300024357162	1	42	0.0	-72.84	337.26	-0.06	-72.90
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300024357171	1	47	0.0	-68.23	383.28	2.12	-66.11
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300024357171	1	47	0.0	-69.01	384.09	2.22	-66.79
C[NH+](C)C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024358151	0	41	0.0	-63.33	344.99	3.62	-59.71
C[N@@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024358159	0	42	0.0	-62.72	331.95	1.60	-61.12
C[N@H+]1CC(NC(=O)CSC2=NNC(=O)[N-]2)CC12CCCC2	REAL300024358159	1	42	0.0	-62.12	334.82	1.93	-60.19
CCC1CCC[N@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601183	0	51	0.0	-71.48	411.70	0.83	-70.65
CCC1CCC[N@@H+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024601183	1	51	0.0	-71.44	411.70	0.83	-70.61
C[NH+](C)CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)N1	REAL300024601193	0	46	0.0	-80.33	397.30	-0.86	-81.19
C[NH+]1C2CCC1CC(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2	REAL300024601210	0	52	0.0	-72.15	396.41	0.16	-71.99
C[NH+](C)C(CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C1=CC=CC=C1	REAL300024601217	0	51	0.0	-76.62	420.47	1.71	-74.91
[NH2+]=C1SC=CN1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601265	0	38	0.0	-67.66	357.79	-2.11	-69.77
C[N@H+](CCO)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601279	0	45	0.0	-72.66	381.17	-4.30	-76.96
C[N@@H+](CCO)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601279	1	45	0.0	-72.42	381.15	-4.31	-76.73
C[C@@H](C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024601280	0	41	0.0	-69.72	348.83	-1.90	-71.62
C[N@@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601285	0	45	0.0	-69.10	363.36	-0.87	-69.97
C[N@H+]1CCCC[C@@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601285	1	45	0.0	-67.94	372.66	-0.70	-68.64
CC1CN2CC[N@@H+]1CC2C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601296	0	48	0.0	-74.64	383.56	-3.31	-77.95
CC1CN2CC[N@H+]1CC2C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024601296	1	48	0.0	-75.51	382.10	-3.42	-78.93
C[NH+](C)C1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024609174	0	48	0.0	-73.88	381.84	-0.09	-73.97
C[N@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024609191	0	49	0.0	-69.17	401.72	-3.08	-72.25
C[N@@H+](CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)[C@@H]1CCC[C@H]1O	REAL300024609191	1	49	0.0	-69.32	401.50	-2.91	-72.23
CCC1C[NH+](CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609199	1	45	0.0	-72.20	383.38	-0.43	-72.63
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+](C2CCOCC2)C1	REAL300024609203	0	50	0.0	-76.45	413.91	-1.34	-77.79
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1([NH+]2CCCC2)CCC1	REAL300024609206	0	49	0.0	-70.05	390.74	0.42	-69.63
C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609224	0	42	0.0	-67.67	356.42	-1.33	-69.00
C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609224	1	42	0.0	-70.21	350.68	-1.74	-71.95
CC[N@@H+]1CCOCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609269	0	49	0.0	-73.06	394.10	-1.92	-74.98
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300024609278	0	46	0.0	-86.08	390.61	-2.58	-88.66
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1C[NH+](C2CCCCC2)C1	REAL300024609303	0	52	0.0	-71.86	422.14	1.06	-70.80
COC1C[N@@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609325	0	50	0.0	-70.95	408.61	-1.32	-72.27
COC1C[N@H+]2CCCC2(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609325	1	50	0.0	-70.95	408.61	-1.32	-72.27
NC1=NC2=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024609409	0	42	0.0	-71.20	374.88	-1.03	-72.23
NC1=[NH+]C2=CC(C(=O)NCCNC(=O)CSC3=NNC(=O)[N-]3)=CC=C2N1	REAL300024609409	1	42	0.0	-71.20	374.88	-1.03	-72.23
C[NH+](C)[C@H]1C[C@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024609472	0	45	0.0	-72.13	380.27	-0.56	-72.69
C[NH+](C)CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CCCC1	REAL300024609488	0	54	0.0	-74.81	431.93	1.30	-73.51
CC1CCCC(C)[NH+]1CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609490	0	54	0.0	-69.59	421.31	0.81	-68.78
C[NH+](C)C1CCC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609493	0	51	0.0	-75.30	409.55	0.56	-74.74
C[NH+](C)CCC1(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609494	0	48	0.0	-73.84	405.14	0.22	-73.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024609499	0	51	0.0	-68.41	403.02	0.41	-68.00
C[N@@H+]1CC=CCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609500	0	46	0.0	-74.29	381.94	-0.24	-74.53
C[N@H+]1CC=CCC1CC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609500	1	46	0.0	-74.34	381.97	-0.23	-74.57
CC1=CC(C=CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024609580	1	45	0.0	-73.11	395.90	-1.32	-74.43
C[NH+](C)CCOCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609597	0	45	0.0	-71.78	386.59	-1.22	-73.00
CCCCC[N@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609605	0	53	0.0	-74.59	435.32	1.23	-73.36
CCCCC[N@@H+](C)CCC(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024609605	1	53	0.0	-74.59	435.32	1.23	-73.36
CC(CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750155	0	49	0.0	-71.28	417.11	0.23	-71.05
CC(CNC(=O)CC1CC2CCC(C1)[NH+]2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750167	0	55	0.0	-67.09	416.21	1.26	-65.83
CC(CNC(=O)CN1C=CSC1=[NH2+])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750209	0	41	0.0	-63.82	377.60	-1.02	-64.84
CC(CNC(=O)CC[N@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750221	0	48	0.0	-68.32	400.98	-3.20	-71.52
CC(CNC(=O)CC[N@@H+](C)CCO)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750221	1	48	0.0	-67.98	400.96	-3.22	-71.20
CC(CNC(=O)[C@H](C)[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750222	0	44	0.0	-65.56	368.64	-0.80	-66.36
CC(CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750226	0	48	0.0	-64.20	392.48	0.39	-63.81
CC(CNC(=O)[C@H]1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750226	1	48	0.0	-64.95	383.18	0.21	-64.74
CC(CNC(=O)C1C[N@@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750236	0	51	0.0	-69.54	401.82	-2.30	-71.84
CC(CNC(=O)C1C[N@H+]2CCN1CC2C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750236	1	51	0.0	-68.59	403.37	-2.21	-70.80
COC1C[N@@H+]2CCCC2(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750277	0	53	0.0	-65.77	428.09	-0.16	-65.93
COC1C[N@H+]2CCCC2(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024750277	1	53	0.0	-63.90	428.44	-0.24	-64.14
CC(CNC(=O)CC1=CC2=C[NH+]=CN2C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750289	0	46	0.0	-68.45	404.94	2.99	-65.46
CC(CNC(=O)C[N@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750316	0	49	0.0	-72.63	409.87	1.02	-71.61
CC(CNC(=O)C[N@@H+](C)C1CCSC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750316	1	49	0.0	-72.69	411.26	1.04	-71.65
CC(CNC(=O)C[NH+]1CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750317	1	42	0.0	-67.17	360.63	-0.77	-67.94
CC(CNC(=O)C1=CC=NC(C[NH+](C)C)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750352	1	50	0.0	-68.62	424.68	0.83	-67.79
CC(CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750354	0	46	0.0	-70.86	389.39	0.34	-70.52
CC(CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750354	1	46	0.0	-70.89	389.38	0.34	-70.55
CC(CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750380	0	55	0.0	-67.28	441.95	2.16	-65.12
CC(CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750395	0	48	0.0	-67.99	406.41	-0.15	-68.14
CCCCC[N@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750401	0	56	0.0	-69.68	455.13	2.33	-67.35
CCCCC[N@@H+](C)CCC(=O)NCC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024750401	1	56	0.0	-69.70	455.13	2.32	-67.38
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+](C)C)CCCC1	REAL300024756156	0	51	0.0	-70.58	401.79	1.06	-69.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300024756168	0	52	0.0	-66.71	421.20	-1.79	-68.50
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300024756168	1	52	0.0	-66.85	421.53	-1.98	-68.83
CCC1C[NH+](CC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024756174	1	48	0.0	-69.41	403.19	0.67	-68.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCOCC2)C1	REAL300024756178	0	53	0.0	-73.06	433.72	-0.24	-73.30
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1([NH+]2CCCC2)CCC1	REAL300024756180	0	52	0.0	-62.95	412.70	1.53	-61.42
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300024756194	0	45	0.0	-68.00	370.50	-0.63	-68.63
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@@H]1CCC[N@H+]1C	REAL300024756194	1	45	0.0	-65.22	376.59	-0.16	-65.38
CC[N@@H+]1CCOCC1CC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756233	0	52	0.0	-71.02	418.33	-0.71	-71.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300024756258	0	55	0.0	-70.38	442.80	2.12	-68.26
COC1C[N@@H+]2CCCC2(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024756274	0	53	0.0	-68.31	428.43	-0.24	-68.55
COC1C[N@H+]2CCCC2(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024756274	1	53	0.0	-68.31	428.43	-0.24	-68.55
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2NC(N)=NC2=C1	REAL300024756340	0	45	0.0	-67.17	394.68	0.08	-67.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300024756340	1	45	0.0	-67.17	394.68	0.08	-67.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024756387	0	48	0.0	-69.77	400.25	0.54	-69.23
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CCCC1	REAL300024756400	0	57	0.0	-67.67	452.27	2.38	-65.29
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[NH+]1C(C)CCCC1C	REAL300024756402	0	57	0.0	-66.50	441.12	1.91	-64.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC([NH+](C)C)CC1	REAL300024756405	0	54	0.0	-63.22	422.83	1.50	-61.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1(CC[NH+](C)C)CC1	REAL300024756406	0	51	0.0	-71.55	425.88	1.34	-70.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024756408	0	54	0.0	-63.22	422.82	1.50	-61.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@@H+]1C	REAL300024756409	0	49	0.0	-64.13	396.72	0.79	-63.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC=CC[N@H+]1C	REAL300024756409	1	49	0.0	-71.18	401.75	0.87	-70.31
CC1=CC(C=CC(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024756467	1	48	0.0	-68.66	415.71	-0.23	-68.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300024756481	0	48	0.0	-68.14	406.41	-0.13	-68.27
CCCCC[N@H+](C)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756487	0	56	0.0	-71.20	455.13	2.32	-68.88
CCCCC[N@@H+](C)CCC(=O)NC(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024756487	1	56	0.0	-71.23	455.12	2.31	-68.92
CN(CCNC(=O)CC1=CC2=C[NH+]=CN2C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787160	0	46	0.0	-72.51	402.95	4.04	-68.47
CN(CCNC(=O)C[N@H+](C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787187	0	49	0.0	-77.50	408.15	2.10	-75.40
CN(CCNC(=O)C[N@@H+](C)C1CCSC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787187	1	49	0.0	-77.91	409.27	2.09	-75.82
CN(CCNC(=O)C[NH+]1CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787188	1	42	0.0	-72.66	358.92	0.30	-72.36
CN(CCNC(=O)C1=CC=NC(C[NH+](C)C)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787223	1	50	0.0	-74.21	422.68	1.51	-72.70
CN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787225	0	46	0.0	-76.87	387.40	1.40	-75.47
CN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787225	1	46	0.0	-77.24	386.44	1.42	-75.82
CN(CCNC(=O)C1C[NH+](C2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787251	0	55	0.0	-74.32	439.97	3.21	-71.11
CN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787266	0	48	0.0	-74.15	404.69	0.93	-73.22
CCCCC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787272	0	56	0.0	-76.06	453.41	3.40	-72.66
CCCCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787272	1	56	0.0	-76.17	453.41	3.39	-72.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300024793161	0	46	0.0	-71.20	403.22	4.02	-67.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C2NC(N)=[NH+]C2=C1	REAL300024793211	1	45	0.0	-73.08	390.98	0.72	-72.36
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300024793258	0	48	0.0	-74.87	398.09	1.54	-73.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CCCC1	REAL300024793271	0	57	0.0	-81.42	441.17	2.88	-78.54
CC1CCCC(C)[NH+]1CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793273	0	57	0.0	-71.01	439.13	2.93	-68.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC([NH+](C)C)CC1	REAL300024793276	0	54	0.0	-78.67	422.72	2.36	-76.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1(CC[NH+](C)C)CC1	REAL300024793277	0	51	0.0	-79.01	418.48	2.09	-76.92
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300024793279	0	54	0.0	-65.10	415.92	2.21	-62.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@@H+]1C	REAL300024793280	0	49	0.0	-64.21	394.99	1.84	-62.37
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC=CC[N@H+]1C	REAL300024793280	1	49	0.0	-64.21	394.99	1.84	-62.37
CC1=CC(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CN=C1N	REAL300024793338	0	48	0.0	-76.10	412.90	0.78	-75.32
CC1=CC(C=CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024793338	1	48	0.0	-76.10	412.90	0.78	-75.32
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024793352	0	48	0.0	-71.96	404.69	0.92	-71.04
CCCCC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793358	0	56	0.0	-75.84	453.14	3.35	-72.49
CCCCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024793358	1	56	0.0	-75.84	453.14	3.35	-72.49
CC1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823194	0	48	0.0	-68.49	394.85	1.47	-67.02
CC1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823194	1	48	0.0	-68.47	387.25	1.17	-67.30
CC1CC[N@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823196	0	48	0.0	-70.98	394.09	1.56	-69.42
CC1CC[N@@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823196	1	48	0.0	-70.94	394.90	1.54	-69.40
CC1=[NH+]C=C2CC(C(=O)N(C)CCNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300024823198	1	50	0.0	-71.85	412.93	2.31	-69.54
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+]1CCC(C)(C)C1	REAL300024823201	0	51	0.0	-70.73	413.88	2.06	-68.67
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+]1CCC(C)(C)C1	REAL300024823201	1	51	0.0	-70.79	413.78	2.04	-68.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300024823202	0	53	0.0	-71.31	418.60	2.35	-68.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300024823202	1	53	0.0	-71.52	416.65	2.20	-69.32
CC[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024823213	0	47	0.0	-71.86	379.25	0.82	-71.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[NH+](CC2CC2)CC1	REAL300024823295	0	55	0.0	-77.91	437.63	3.42	-74.49
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1(O)CC[NH+](C)CC1	REAL300024823423	0	52	0.0	-71.56	416.44	0.23	-71.33
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+](C)C	REAL300024823436	0	41	0.0	-72.07	348.81	-0.20	-72.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(CO)CC1	REAL300024823441	0	52	0.0	-73.27	422.71	-1.02	-74.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCCCCC1	REAL300024823445	0	51	0.0	-71.48	399.62	1.83	-69.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N+]1=CN(C)C=C1	REAL300024823450	0	43	0.0	-69.87	380.05	3.31	-66.56
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+](C)C1	REAL300024823459	0	48	0.0	-66.59	382.26	1.35	-65.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+](C)C1	REAL300024823459	1	48	0.0	-66.56	382.29	1.35	-65.21
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300024823464	0	49	0.0	-67.14	402.78	2.13	-65.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CCC[N@H+]1C1CC1	REAL300024823464	1	49	0.0	-67.24	396.95	1.97	-65.27
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300024823496	0	45	0.0	-69.39	374.49	0.69	-68.70
CCC(CC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300024823504	0	53	0.0	-75.58	420.15	2.31	-73.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(C)(C)C[NH+](C)C	REAL300024823512	0	50	0.0	-70.15	386.30	1.00	-69.15
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300024823532	0	50	0.0	-69.92	401.62	2.07	-67.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300024823532	1	50	0.0	-72.33	398.11	2.90	-69.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC(O)CC1	REAL300024823547	1	49	0.0	-76.33	401.63	-1.68	-78.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CC1	REAL300024823548	0	45	0.0	-68.50	378.08	1.21	-67.29
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CC1	REAL300024823548	1	45	0.0	-68.76	378.08	1.22	-67.54
CC(C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300024823549	1	53	0.0	-75.15	423.09	-0.36	-75.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1C[NH+](C)C1	REAL300024823572	0	45	0.0	-73.91	380.26	0.66	-73.25
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C1CCCC1	REAL300024823576	0	52	0.0	-72.64	420.73	2.75	-69.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C1CCCC1	REAL300024823576	1	52	0.0	-70.27	413.89	2.18	-68.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@@H+]1C(C)(C)C	REAL300024823584	0	51	0.0	-69.47	390.71	0.73	-68.74
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1CC[N@H+]1C(C)(C)C	REAL300024823584	1	51	0.0	-68.50	408.78	1.41	-67.09
C[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024823596	0	44	0.0	-69.48	365.36	0.21	-69.27
CN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)CN=[N+]=[N-]	REAL300024823611	0	35	0.0	-25.37	325.77	-4.60	-29.97
CCC1CCC[N@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823643	0	54	0.0	-72.10	422.78	2.88	-69.22
CCC1CCC[N@@H+](CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823643	1	54	0.0	-71.96	429.53	2.90	-69.06
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N1	REAL300024823651	0	49	0.0	-85.32	410.05	1.49	-83.83
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1CC2CCC(C1)[NH+]2C	REAL300024823663	0	55	0.0	-72.12	414.23	2.27	-69.85
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C=CSC1=[NH2+]	REAL300024823705	0	41	0.0	-68.59	375.62	-0.03	-68.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@H+](C)CCO	REAL300024823717	0	48	0.0	-74.17	398.99	-2.18	-76.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC[N@@H+](C)CCO	REAL300024823717	1	48	0.0	-72.96	399.22	-2.16	-75.12
C[C@@H](C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300024823718	0	44	0.0	-69.48	365.36	0.21	-69.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@@H+]1C	REAL300024823722	0	48	0.0	-69.38	388.95	1.38	-68.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)[C@H]1CCCC[N@H+]1C	REAL300024823722	1	48	0.0	-72.60	381.64	1.03	-71.57
CC1CN2CC[N@@H+]1CC2C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823732	0	51	0.0	-73.62	398.37	-1.60	-75.22
CC1CN2CC[N@H+]1CC2C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823732	1	51	0.0	-74.32	398.47	-1.56	-75.88
COC1C[N@@H+]2CCCC2(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823773	0	53	0.0	-69.32	420.53	0.15	-69.17
COC1C[N@H+]2CCCC2(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024823773	1	53	0.0	-71.62	418.96	0.21	-71.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300024823785	0	46	0.0	-71.20	403.22	4.02	-67.18
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@H+](C)C1CCSC1	REAL300024823812	0	49	0.0	-75.77	408.09	2.04	-73.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N@@H+](C)C1CCSC1	REAL300024823812	1	49	0.0	-76.02	408.30	2.03	-73.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[NH+]1CCC1	REAL300024823813	1	42	0.0	-72.25	358.64	0.20	-72.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300024823848	1	50	0.0	-72.14	420.54	1.09	-71.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@H+](C)C1	REAL300024823850	0	46	0.0	-76.53	386.57	1.34	-75.19
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C1CC[N@@H+](C)C1	REAL300024823850	1	46	0.0	-75.98	386.87	1.36	-74.62
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300024823876	0	55	0.0	-73.80	439.80	3.15	-70.65
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)COCC[NH+](C)C	REAL300024823891	0	48	0.0	-71.96	404.69	0.92	-71.04
CCCCC[N@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823897	0	56	0.0	-75.78	453.14	3.34	-72.44
CCCCC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024823897	1	56	0.0	-75.84	453.14	3.35	-72.49
CC(C)C[NH+]1CCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829249	0	57	0.0	-76.85	449.61	3.61	-73.24
CC1C[N@H+](C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829252	1	49	0.0	-83.73	400.17	0.63	-83.10
CC1C[N@@H+](C)CC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)O1	REAL300024829252	1	49	0.0	-79.78	400.26	0.91	-78.87
CCC1CCC[N@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829286	0	54	0.0	-72.21	429.79	2.99	-69.22
CCC1CCC[N@@H+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829286	1	54	0.0	-72.34	429.52	2.97	-69.37
CN(CCNC(=O)C1=CC=C(C[NH+](C)C)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829295	0	49	0.0	-84.55	415.12	1.29	-83.26
CN(CCNC(=O)C[NH+]1CC2CC2C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829316	0	46	0.0	-72.28	383.89	1.73	-70.55
CN(CCNC(=O)CC1([NH+]2CCCC2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829334	0	52	0.0	-70.79	412.53	2.52	-68.27
CN(CCNC(=O)C1CCCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829381	0	48	0.0	-70.79	381.49	1.29	-69.50
CN(CCNC(=O)C1CCCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829381	1	48	0.0	-70.73	381.46	1.29	-69.44
CC(C)C[N@@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829393	0	57	0.0	-72.18	449.76	3.57	-68.61
CC(C)C[N@H+]1CCCC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829393	1	57	0.0	-66.11	443.46	3.76	-62.35
CN(CCNC(=O)CN1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829457	0	56	0.0	-73.53	441.88	0.56	-72.97
CN(CCNC(=O)C=C1CC[N@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829527	0	46	0.0	-76.87	387.40	1.40	-75.47
CN(CCNC(=O)C=C1CC[N@@H+](C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829527	1	46	0.0	-77.24	386.44	1.42	-75.82
CN(CCNC(=O)CNC1=CC=[NH+]C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829533	0	44	0.0	-73.53	384.26	-0.88	-74.41
CN(CCNC(=O)CN=[N+]=[N-])C(=O)CSC1=NC(=O)NN1	REAL300024829592	0	35	0.0	-25.25	325.77	-4.53	-29.78
CC[NH+]1CCN(CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024829601	0	53	0.0	-71.97	425.30	0.04	-71.93
CN(CCNC(=O)C=C1C[NH+]2CCC1CC2)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829604	0	50	0.0	-68.80	404.95	2.26	-66.54
CN(CCNC(=O)C1([NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829652	0	51	0.0	-76.46	399.94	2.08	-74.38
CN(CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829664	0	52	0.0	-70.03	419.59	-0.74	-70.77
CN(CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829664	1	52	0.0	-69.37	419.55	-0.94	-70.31
CCC1C[NH+](CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829670	1	48	0.0	-73.12	401.21	1.71	-71.41
CN(CCNC(=O)C1C[NH+](C2CCOCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829674	0	53	0.0	-78.86	432.01	0.82	-78.04
CN(CCNC(=O)C1([NH+]2CCCC2)CCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829676	0	52	0.0	-74.15	408.56	2.56	-71.59
CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829690	0	45	0.0	-72.84	368.85	0.43	-72.41
CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829690	1	45	0.0	-68.89	374.84	0.93	-67.96
CC[N@@H+]1CCOCC1CC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829729	0	52	0.0	-76.49	416.62	0.36	-76.13
CN(CCNC(=O)C1C[NH+](C2CCCCC2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829754	0	55	0.0	-74.32	439.97	3.21	-71.11
COC1C[N@@H+]2CCCC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829770	0	53	0.0	-72.47	426.72	0.84	-71.63
COC1C[N@H+]2CCCC2(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024829770	1	53	0.0	-72.47	426.72	0.84	-71.63
CN(CCNC(=O)C1=CC=C2NC(N)=NC2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829836	0	45	0.0	-74.18	392.70	1.12	-73.06
CN(CCNC(=O)C1=CC=C2NC(N)=[NH+]C2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829836	1	45	0.0	-74.18	392.70	1.12	-73.06
CN(CCNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829883	0	48	0.0	-75.50	398.39	1.60	-73.90
CN(CCNC(=O)C1(CC[NH+](C)C)CCCC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829896	0	57	0.0	-83.09	449.76	3.45	-79.64
CC1CCCC(C)[NH+]1CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829898	0	57	0.0	-71.31	439.40	2.98	-68.33
CN(CCNC(=O)C1CCC([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829901	0	54	0.0	-79.32	427.37	2.69	-76.63
CN(CCNC(=O)C1(CC[NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829902	0	51	0.0	-80.02	424.56	2.42	-77.60
CN(CCNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829904	0	54	0.0	-72.61	420.84	2.55	-70.06
CN(CCNC(=O)CC1CC=CC[N@@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829905	0	49	0.0	-76.90	400.06	1.93	-74.97
CN(CCNC(=O)CC1CC=CC[N@H+]1C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829905	1	49	0.0	-76.97	399.78	1.91	-75.06
CC1=CC(C=CC(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300024829963	1	48	0.0	-76.37	414.00	0.84	-75.53
CN(CCNC(=O)COCC[NH+](C)C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829977	0	48	0.0	-74.15	404.69	0.93	-73.22
CCCCC[N@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829983	0	56	0.0	-76.06	453.41	3.40	-72.66
CCCCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024829983	1	56	0.0	-76.17	453.41	3.39	-72.78
CC1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859207	0	46	0.0	-72.11	376.71	0.78	-71.33
CC1CCC[N@H+]1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859207	1	46	0.0	-72.94	383.34	1.20	-71.74
CC1CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859209	0	46	0.0	-74.97	384.15	1.14	-73.83
CC1CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859209	1	46	0.0	-74.99	383.39	1.01	-73.98
CC1=[NH+]C=C2CC(C(=O)NC3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CCN21	REAL300024859211	1	48	0.0	-64.83	407.31	2.07	-62.76
CC1(C)CC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859214	0	49	0.0	-75.40	403.28	1.56	-73.84
CC1(C)CC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859214	1	49	0.0	-75.48	403.62	1.58	-73.90
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024859215	0	51	0.0	-75.33	407.63	1.90	-73.43
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)CC(C)(C)C	REAL300024859215	1	51	0.0	-75.41	408.14	1.98	-73.43
CC[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859226	0	45	0.0	-72.22	368.71	0.32	-71.90
CC(COCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCCC1	REAL300024859234	0	53	0.0	-66.34	436.63	2.06	-64.28
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1	REAL300024859312	0	53	0.0	-79.31	433.57	3.29	-76.02
C[NH+]1CCC(O)(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)CC1	REAL300024859448	0	50	0.0	-71.99	405.64	-0.21	-72.20
COCC[N@@H+]1CCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859455	0	53	0.0	-61.16	428.65	1.23	-59.93
COCC[N@H+]1CCCC1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859455	1	53	0.0	-67.23	436.48	0.77	-66.46
C[NH+](C)CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859463	0	39	0.0	-75.76	338.00	-0.60	-76.36
O=C(C[NH+]1CCC(CO)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859468	0	50	0.0	-70.43	411.85	-1.41	-71.84
O=C(C[NH+]1CCCCCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859472	0	49	0.0	-68.73	389.13	1.46	-67.27
CN1C=C[N+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024859477	0	41	0.0	-72.76	369.24	2.91	-69.85
C[N@@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859486	0	46	0.0	-68.74	376.38	1.15	-67.59
C[N@H+]1CCCC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859486	1	46	0.0	-68.68	376.32	1.23	-67.45
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300024859491	0	47	0.0	-70.09	395.45	1.92	-68.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CCC[N@H+]2C2CC2)C1	REAL300024859491	1	47	0.0	-73.00	388.42	1.24	-71.76
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+]1CCC1	REAL300024859523	1	43	0.0	-67.23	368.06	0.34	-66.89
CCC(CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C[NH+](C)C	REAL300024859532	0	51	0.0	-69.37	413.24	2.02	-67.35
C[NH+](C)CC(C)(C)C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859540	0	48	0.0	-72.78	387.19	1.17	-71.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300024859560	0	48	0.0	-62.66	396.40	2.03	-60.63
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300024859560	1	48	0.0	-74.47	391.73	2.47	-72.00
O=C(C[NH+]1CCC(O)CC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859576	1	47	0.0	-71.91	390.87	-2.07	-73.98
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024859577	0	43	0.0	-73.09	367.41	0.81	-72.28
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CC1	REAL300024859577	1	43	0.0	-73.17	367.41	0.81	-72.36
CC(C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)N1CC[NH+](C)CC1	REAL300024859578	1	51	0.0	-73.17	408.95	-0.78	-73.95
C[NH+]1CC(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859602	0	43	0.0	-69.15	369.50	0.23	-68.92
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[N@@H+]2C2CCCC2)C1	REAL300024859606	0	50	0.0	-75.46	410.08	2.34	-73.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2CC[N@H+]2C2CCCC2)C1	REAL300024859606	1	50	0.0	-74.82	408.87	2.26	-72.56
CC(C)(C)[N@@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859614	0	49	0.0	-73.52	382.00	0.86	-72.66
CC(C)(C)[N@H+]1CCC1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859614	1	49	0.0	-71.65	399.60	1.06	-70.59
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859626	0	42	0.0	-73.78	356.16	-0.27	-74.05
[N-]=[N+]=NCC(=O)NC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024859641	0	33	0.0	-22.84	315.03	-5.08	-27.92
CCC1CCC[N@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859673	0	52	0.0	-75.98	418.98	2.52	-73.46
CCC1CCC[N@@H+](CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859673	1	52	0.0	-76.23	419.03	2.44	-73.79
C[NH+](C)CC1=CC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)N1	REAL300024859681	0	47	0.0	-73.39	404.92	0.50	-72.89
C[NH+]1C2CCC1CC(CC(=O)NC1CN(C(=O)CSC3=NNC(=O)[N-]3)C1)C2	REAL300024859694	0	53	0.0	-75.47	403.73	1.77	-73.70
[NH2+]=C1SC=CN1CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859737	0	39	0.0	-71.26	365.08	-0.41	-71.67
C[N@H+](CCO)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859749	0	46	0.0	-76.04	388.45	-2.60	-78.64
C[N@@H+](CCO)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859749	1	46	0.0	-75.87	388.44	-2.68	-78.55
C[C@@H](C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)[NH+](C)C	REAL300024859750	0	42	0.0	-73.78	356.16	-0.27	-74.05
C[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859754	0	46	0.0	-72.67	370.61	0.84	-71.83
C[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859754	1	46	0.0	-71.60	379.97	1.01	-70.59
CC1CN2CC[N@@H+]1CC2C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859764	0	49	0.0	-71.05	390.91	-1.69	-72.74
CC1CN2CC[N@H+]1CC2C(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859764	1	49	0.0	-80.26	389.29	-1.71	-81.97
COC1C[N@@H+]2CCCC2(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859805	0	51	0.0	-78.42	415.37	0.42	-78.00
COC1C[N@H+]2CCCC2(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859805	1	51	0.0	-76.29	412.57	0.23	-76.06
O=C(CC1=CC2=C[NH+]=CN2C=C1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859819	0	44	0.0	-72.84	392.41	3.59	-69.25
C[N@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCSC1	REAL300024859846	0	47	0.0	-72.95	397.57	1.55	-71.40
C[N@@H+](CC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C1CCSC1	REAL300024859846	1	47	0.0	-80.72	397.28	1.65	-79.07
O=C(C[NH+]1CCC1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859847	1	40	0.0	-68.24	348.17	-0.25	-68.49
C[NH+](C)CC1=CC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC=N1	REAL300024859882	1	48	0.0	-74.52	412.19	1.35	-73.17
C[N@@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859884	0	44	0.0	-77.37	376.88	0.94	-76.43
C[N@H+]1CCC(=CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C1	REAL300024859884	1	44	0.0	-77.23	376.82	0.94	-76.29
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2C[NH+](C3CCCCC3)C2)C1	REAL300024859910	0	53	0.0	-70.86	430.03	2.76	-68.10
C[NH+](C)CCOCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859925	0	46	0.0	-74.05	393.86	0.46	-73.59
CCCCC[N@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859931	0	54	0.0	-78.43	442.63	2.85	-75.58
CCCCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024859931	1	54	0.0	-78.17	442.59	2.93	-75.24
CCCCC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999150	0	56	0.0	-71.08	455.12	2.33	-68.75
CCCCC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024999150	1	56	0.0	-71.23	455.12	2.31	-68.92
C[C@H](CNC(=O)CC[NH+]1C(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005151	0	57	0.0	-64.91	441.12	1.90	-63.01
C[C@H](CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005154	0	54	0.0	-65.31	422.82	1.47	-63.84
C[C@H](CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005155	0	51	0.0	-68.65	424.46	1.37	-67.28
C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005157	0	54	0.0	-65.29	422.83	1.47	-63.82
C[C@H](CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005158	0	49	0.0	-62.64	396.71	0.80	-61.84
C[C@H](CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005158	1	49	0.0	-69.23	401.75	0.86	-68.37
CC1=CC(C=CC(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300025005216	1	48	0.0	-66.62	415.71	-0.24	-66.86
C[C@H](CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005230	0	48	0.0	-68.15	406.40	-0.13	-68.28
CCCCC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005236	0	56	0.0	-69.75	455.12	2.32	-67.43
CCCCC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005236	1	56	0.0	-69.78	455.12	2.31	-67.47
CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009164	0	47	0.0	-69.66	390.63	0.01	-69.65
CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009164	1	47	0.0	-69.56	390.63	0.00	-69.56
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCCC1C	REAL300025009228	0	48	0.0	-66.01	395.45	0.49	-65.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCCC1C	REAL300025009228	1	48	0.0	-65.56	389.17	0.19	-65.37
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300025009230	0	48	0.0	-67.71	395.87	0.50	-67.21
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)C1	REAL300025009230	1	48	0.0	-67.95	396.75	0.47	-67.48
CC1=[NH+]C=C2CC(C(=O)N[C@@H](C)CNC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025009232	1	50	0.0	-64.15	419.78	1.56	-62.59
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300025009235	0	51	0.0	-68.02	415.81	1.06	-66.96
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300025009235	1	51	0.0	-68.08	416.15	1.07	-67.01
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300025009236	0	53	0.0	-68.51	420.31	1.36	-67.15
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300025009236	1	53	0.0	-68.46	418.37	1.22	-67.24
CC[C@@H](C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025009247	0	47	0.0	-66.51	380.95	-0.19	-66.70
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300025009329	0	55	0.0	-71.10	444.30	2.67	-68.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1(O)CC[NH+](C)CC1	REAL300025009457	0	52	0.0	-69.18	421.07	-0.88	-70.06
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+](C)C	REAL300025009470	0	41	0.0	-69.13	350.53	-1.20	-70.33
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300025009475	0	52	0.0	-70.32	424.33	-2.01	-72.33
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCCCCC1	REAL300025009479	0	51	0.0	-67.78	401.61	0.86	-66.92
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N+]1=CN(C)C=C1	REAL300025009484	0	43	0.0	-66.28	381.76	2.32	-63.96
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+](C)C1	REAL300025009493	0	48	0.0	-63.82	388.86	0.65	-63.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+](C)C1	REAL300025009493	1	48	0.0	-62.92	388.85	0.65	-62.27
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300025009498	0	49	0.0	-68.10	401.34	0.84	-67.26
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300025009498	1	49	0.0	-64.82	399.78	0.70	-64.12
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)[NH+]1CCC1	REAL300025009530	1	45	0.0	-66.11	378.73	-0.11	-66.22
CCC(CC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)C[NH+](C)C	REAL300025009538	0	53	0.0	-64.78	425.77	1.43	-63.35
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(C)(C)C[NH+](C)C	REAL300025009546	0	50	0.0	-67.96	396.55	0.54	-67.42
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300025009566	0	50	0.0	-64.42	407.67	1.42	-63.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300025009566	1	50	0.0	-65.05	402.48	1.83	-63.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC(O)CC1	REAL300025009581	1	49	0.0	-72.80	403.73	-2.66	-75.46
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CC1	REAL300025009582	0	45	0.0	-66.63	379.94	0.21	-66.42
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CC1	REAL300025009582	1	45	0.0	-65.93	379.80	0.21	-65.72
CC(C(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1)N1CC[NH+](C)CC1	REAL300025009583	1	53	0.0	-68.35	423.79	-1.36	-69.71
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1C[NH+](C)C1	REAL300025009606	0	45	0.0	-69.67	381.97	-0.37	-70.04
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C1CCCC1	REAL300025009610	0	52	0.0	-66.62	418.46	1.43	-65.19
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C1CCCC1	REAL300025009610	1	52	0.0	-67.59	421.14	1.58	-66.01
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@@H+]1C(C)(C)C	REAL300025009618	0	51	0.0	-64.82	412.05	0.54	-64.28
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1CC[N@H+]1C(C)(C)C	REAL300025009618	1	51	0.0	-64.52	412.04	0.52	-64.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300025009630	0	44	0.0	-67.25	368.63	-0.78	-68.03
C[C@@H](CNC(=O)CSC1=NC(=O)NN1)NC(=O)CN=[N+]=[N-]	REAL300025009645	0	35	0.0	-23.47	327.49	-5.58	-29.05
CCC1CCC[N@H+](CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025009677	0	54	0.0	-68.79	431.51	1.93	-66.86
CCC1CCC[N@@H+](CC(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025009677	1	54	0.0	-68.70	431.52	1.93	-66.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C[NH+](C)C)N1	REAL300025009685	0	49	0.0	-73.66	417.37	-0.01	-73.67
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1CC2CCC(C1)[NH+]2C	REAL300025009697	0	55	0.0	-66.78	416.23	1.25	-65.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C=CSC1=[NH2+]	REAL300025009739	0	41	0.0	-64.72	377.60	-1.00	-65.72
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@H+](C)CCO	REAL300025009751	0	48	0.0	-69.26	400.98	-3.21	-72.47
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC[N@@H+](C)CCO	REAL300025009751	1	48	0.0	-69.44	400.96	-3.22	-72.66
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H](C)[NH+](C)C	REAL300025009752	0	44	0.0	-67.25	368.63	-0.78	-68.03
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@@H+]1C	REAL300025009756	0	48	0.0	-64.77	392.51	0.42	-64.35
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)[C@H]1CCCC[N@H+]1C	REAL300025009756	1	48	0.0	-65.92	383.18	0.24	-65.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@@H+]2CCN1CC2C	REAL300025009766	0	51	0.0	-69.45	403.24	-2.22	-71.67
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[N@H+]2CCN1CC2C	REAL300025009766	1	51	0.0	-72.32	403.30	-2.21	-74.53
COC1C[N@@H+]2CCCC2(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025009807	0	53	0.0	-66.90	428.52	-0.22	-67.12
COC1C[N@H+]2CCCC2(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025009807	1	53	0.0	-66.39	428.43	-0.24	-66.63
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC2=C[NH+]=CN2C=C1	REAL300025009819	0	46	0.0	-68.21	404.93	2.99	-65.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@H+](C)C1CCSC1	REAL300025009846	0	49	0.0	-74.93	409.87	1.03	-73.90
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N@@H+](C)C1CCSC1	REAL300025009846	1	49	0.0	-74.05	409.88	1.05	-73.00
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[NH+]1CCC1	REAL300025009847	1	42	0.0	-68.66	360.63	-0.77	-69.43
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(C[NH+](C)C)=C1	REAL300025009882	1	50	0.0	-68.50	424.67	0.83	-67.67
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@H+](C)C1	REAL300025009884	0	46	0.0	-71.16	389.38	0.36	-70.80
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C1CC[N@@H+](C)C1	REAL300025009884	1	46	0.0	-71.58	389.38	0.36	-71.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1C[NH+](C2CCCCC2)C1	REAL300025009910	0	55	0.0	-70.68	442.56	2.15	-68.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300025009925	0	48	0.0	-68.02	406.40	-0.12	-68.14
CCCCC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009931	0	56	0.0	-71.19	455.13	2.31	-68.88
CCCCC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025009931	1	56	0.0	-71.09	455.12	2.30	-68.79
CCC[N@@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015150	0	54	0.0	-63.98	422.38	1.62	-62.36
CCC[N@H+]1CCCCC1C(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015150	1	54	0.0	-63.73	422.38	1.62	-62.11
CC[NH+]1CCN(CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015159	0	56	0.0	-68.29	447.98	-0.69	-68.98
CCN1CC[NH+](CCC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015159	1	56	0.0	-68.89	449.14	-0.54	-69.43
C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015162	1	50	0.0	-68.61	409.55	-1.69	-70.30
CC(C)C[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015283	0	57	0.0	-68.97	451.62	2.55	-66.42
C[C@@H](CNC(=O)C1C[N@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015286	1	49	0.0	-69.54	401.98	-0.16	-69.70
C[C@@H](CNC(=O)C1C[N@@H+](C)CC(C)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015286	1	49	0.0	-69.90	402.01	-0.17	-70.07
CCC1CCC[N@H+](CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015320	0	54	0.0	-66.87	431.50	1.92	-64.95
CCC1CCC[N@@H+](CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015320	1	54	0.0	-66.87	431.50	1.92	-64.95
C[C@@H](CNC(=O)C1=CC=C(C[NH+](C)C)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015329	0	49	0.0	-70.44	417.15	0.23	-70.21
C[C@@H](CNC(=O)C[NH+]1CC2CC2C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015350	0	46	0.0	-66.82	385.86	0.69	-66.13
C[C@@H](CNC(=O)CC1([NH+]2CCCC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015368	0	52	0.0	-63.94	415.71	1.54	-62.40
C[C@@H](CNC(=O)C1CCCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015415	0	48	0.0	-64.91	383.18	0.22	-64.69
C[C@@H](CNC(=O)C1CCCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015415	1	48	0.0	-64.18	392.50	0.40	-63.78
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015427	0	57	0.0	-62.43	445.45	2.70	-59.73
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015427	1	57	0.0	-66.48	451.99	2.51	-63.97
C[C@@H](CNC(=O)CN1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015491	0	56	0.0	-69.18	443.87	-0.49	-69.67
C[C@@H](CNC(=O)C=C1CC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015561	0	46	0.0	-70.76	389.39	0.34	-70.42
C[C@@H](CNC(=O)C=C1CC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015561	1	46	0.0	-70.91	389.38	0.34	-70.57
C[C@@H](CNC(=O)CNC1=CC=[NH+]C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015567	0	44	0.0	-66.24	386.25	-1.93	-68.17
C[C@@H](CNC(=O)CN=[N+]=[N-])NC(=O)CSC1=NC(=O)NN1	REAL300025015626	0	35	0.0	-23.11	327.50	-5.60	-28.71
CC[NH+]1CCN(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025015635	0	53	0.0	-67.38	427.29	-1.01	-68.39
C[C@@H](CNC(=O)C=C1C[NH+]2CCC1CC2)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015638	0	50	0.0	-66.52	406.95	1.21	-65.31
C[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015686	0	51	0.0	-66.37	402.89	1.27	-65.10
C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015698	0	52	0.0	-65.36	421.31	-1.81	-67.17
C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015698	1	52	0.0	-65.80	421.53	-2.00	-67.80
CCC1C[NH+](CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015704	1	48	0.0	-67.71	403.20	0.66	-67.05
C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015708	0	53	0.0	-71.45	433.73	-0.24	-71.69
C[C@@H](CNC(=O)C1([NH+]2CCCC2)CCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015710	0	52	0.0	-64.09	410.80	1.46	-62.63
C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015724	0	45	0.0	-65.93	370.53	-0.65	-66.58
C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015724	1	45	0.0	-64.45	376.45	-0.16	-64.61
CC[N@@H+]1CCOCC1CC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015763	0	52	0.0	-68.31	413.90	-0.82	-69.13
C[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015788	0	55	0.0	-69.00	442.51	2.15	-66.85
COC1C[N@@H+]2CCCC2(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015804	0	53	0.0	-63.86	428.44	-0.24	-64.10
COC1C[N@H+]2CCCC2(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025015804	1	53	0.0	-63.86	428.44	-0.24	-64.10
C[C@@H](CNC(=O)C1=CC=C2NC(N)=NC2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015870	0	45	0.0	-65.90	394.68	0.06	-65.84
C[C@@H](CNC(=O)C1=CC=C2NC(N)=[NH+]C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015870	1	45	0.0	-65.90	394.68	0.06	-65.84
C[C@@H](CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015917	0	48	0.0	-68.04	400.10	0.53	-67.51
C[C@@H](CNC(=O)C1(CC[NH+](C)C)CCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015930	0	57	0.0	-69.48	451.74	2.39	-67.09
C[C@@H](CNC(=O)CC[NH+]1C(C)CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015932	0	57	0.0	-64.76	441.12	1.91	-62.85
C[C@@H](CNC(=O)C1CCC([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015935	0	54	0.0	-65.78	422.82	1.47	-64.31
C[C@@H](CNC(=O)C1(CC[NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015936	0	51	0.0	-68.36	426.22	1.35	-67.01
C[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015938	0	54	0.0	-65.30	422.81	1.47	-63.83
C[C@@H](CNC(=O)CC1CC=CC[N@@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015939	0	49	0.0	-69.23	401.78	0.86	-68.37
C[C@@H](CNC(=O)CC1CC=CC[N@H+]1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025015939	1	49	0.0	-69.01	401.76	0.86	-68.15
CC1=CC(C=CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300025015997	1	48	0.0	-66.63	415.71	-0.24	-66.87
C[C@@H](CNC(=O)COCC[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016011	0	48	0.0	-67.93	406.39	-0.14	-68.07
CCCCC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016017	0	56	0.0	-69.81	455.13	2.32	-67.49
CCCCC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016017	1	56	0.0	-69.70	455.13	2.32	-67.38
CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025198204	0	54	0.0	-67.11	425.78	1.42	-65.69
C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198226	0	48	0.0	-69.64	395.11	0.46	-69.18
CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025198246	0	50	0.0	-65.19	399.65	0.99	-64.20
CCC(C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](CC)CC	REAL300025198280	0	53	0.0	-61.59	416.80	1.17	-60.42
CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198353	0	47	0.0	-68.20	390.63	0.01	-68.19
CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198353	1	47	0.0	-68.25	390.63	0.03	-68.22
C[C@H](CNC(=O)C[N@@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198417	0	48	0.0	-64.40	395.87	0.60	-63.80
C[C@H](CNC(=O)C[N@H+]1CCCC1C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198417	1	48	0.0	-63.97	389.24	0.18	-63.79
C[C@H](CNC(=O)C[N@@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198419	0	48	0.0	-66.44	396.56	0.54	-65.90
C[C@H](CNC(=O)C[N@H+]1CCC(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198419	1	48	0.0	-66.34	396.09	0.53	-65.81
CC1=[NH+]C=C2CC(C(=O)NC[C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)CCN21	REAL300025198421	1	50	0.0	-63.37	419.06	1.53	-61.84
C[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198424	0	51	0.0	-66.37	416.10	1.06	-65.31
C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198424	1	51	0.0	-66.32	415.76	1.05	-65.27
C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198425	0	53	0.0	-66.58	420.16	1.31	-65.27
C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198425	1	53	0.0	-66.99	418.36	1.21	-65.78
CC[C@@H](C(=O)NC[C@@H](C)NC(=O)CSC1=NNC(=O)[N-]1)[NH+](C)C	REAL300025198436	0	47	0.0	-64.72	380.72	-0.17	-64.89
C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198518	0	55	0.0	-69.60	444.31	2.67	-66.93
C[C@H](CNC(=O)CC1(O)CC[NH+](C)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198646	0	52	0.0	-67.00	418.16	-0.79	-67.79
C[C@H](CNC(=O)C[NH+](C)C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198659	0	41	0.0	-67.71	350.53	-1.20	-68.91
C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198664	1	52	0.0	-69.62	424.32	-2.01	-71.63
C[C@H](CNC(=O)C[NH+]1CCCCCC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198668	0	51	0.0	-66.25	401.86	0.84	-65.41
C[C@H](CNC(=O)C[N+]1=CN(C)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198673	0	43	0.0	-65.54	381.77	2.32	-63.22
C[C@H](CNC(=O)C1CCC[N@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198682	0	48	0.0	-62.93	388.84	0.62	-62.31
C[C@H](CNC(=O)C1CCC[N@@H+](C)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198682	1	48	0.0	-67.64	395.13	0.42	-67.22
C[C@H](CNC(=O)C1CCC[N@@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198687	0	49	0.0	-61.71	407.27	1.22	-60.49
C[C@H](CNC(=O)C1CCC[N@H+]1C1CC1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025198687	1	49	0.0	-64.00	401.05	0.64	-63.36
CC1=CC(C=CC(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C[NH+]=C1N	REAL300025205186	1	48	0.0	-68.70	415.71	-0.24	-68.94
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)COCC[NH+](C)C	REAL300025205200	0	48	0.0	-69.11	406.40	-0.14	-69.25
CCCCC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205206	0	56	0.0	-71.08	455.12	2.33	-68.75
CCCCC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025205206	1	56	0.0	-71.23	455.12	2.31	-68.92